data_16145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16145 _Entry.Title ; Structure of SDF-1/CXCL12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-28 _Entry.Accession_date 2009-01-28 _Entry.Last_release_date 2009-06-25 _Entry.Original_release_date 2009-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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. . 16145 2 C. Veldkamp C. T. . 16145 3 F. Peterson F. C. . 16145 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine . 16145 CXCL12 . 16145 SDF1-alpha . 16145 'stromal cell derived factor-1' . 16145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 16145 '15N chemical shifts' 76 16145 '1H chemical shifts' 528 16145 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 . . 2009-06-25 2009-01-28 original author . 16145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16142 'Structure of SDF-1/CXCL12' 16145 BMRB 16143 'Structure of SDF-1/CXCL12' 16145 PDB 2KEE 'BMRB Entry Tracking System' 16145 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19551879 _Citation.Full_citation . _Citation.Title 'Monomeric structure of the cardioprotective chemokine SDF-1/CXCL12' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1359 _Citation.Page_last 1369 _Citation.Year 2009 _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 C. Veldkamp C. T. . 16145 1 2 J. Ziarek . J. . 16145 1 3 J. Su . . . 16145 1 4 H. Basnet . . . 16145 1 5 R. Lennertz . . . 16145 1 6 J. Weiner . J. . 16145 1 7 F. Peterson F. C. . 16145 1 8 J. Baker . E. . 16145 1 9 B. Volkman B. F. . 16145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16145 _Assembly.ID 1 _Assembly.Name CXCL12/SDF1-alpha _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 CXCL12/SDF1-alpha 1 $CXCL12_SDF1-alpha A . yes native no no . . . 16145 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . 16145 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 16145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CXCL12_SDF1-alpha _Entity.Sf_category entity _Entity.Sf_framecode CXCL12_SDF1-alpha _Entity.Entry_ID 16145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CXCL12/SDF1-alpha _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 ; GSKPVSLSYRCPCRFFESHV ARANVKHLKILNTPNCALQI VARLKNNNRQVCIDPKLKWI QEYLEKALNK ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CXCL12 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8122.656 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16142 . CXCL12/SDF1-alpha . . . . . 100.00 70 98.57 98.57 8.63e-42 . . . . 16145 1 2 no BMRB 16143 . CXCL12/SDF1-alpha . . . . . 100.00 70 98.57 98.57 8.63e-42 . . . . 16145 1 3 no BMRB 16519 . SDF1a_H25R . . . . . 97.14 68 98.53 98.53 1.53e-39 . . . . 16145 1 4 no PDB 1A15 . Sdf-1alpha . . . . . 95.71 67 98.51 98.51 3.48e-39 . . . . 16145 1 5 no PDB 1QG7 . "Stroma Cell-derived Factor-1alpha (sdf-1alpha)" . . . . . 95.71 67 100.00 100.00 4.32e-40 . . . . 16145 1 6 no PDB 1SDF . "Solution Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), Nmr, Minimized Average Structure" . . . . . 95.71 67 100.00 100.00 4.32e-40 . . . . 16145 1 7 no PDB 1VMC . "Stroma Cell-Derived Factor-1alpha (Sdf-1alpha)" . . . . . 97.14 71 100.00 100.00 8.24e-41 . . . . 16145 1 8 no PDB 2J7Z . "Crystal Structure Of Recombinant Human Stromal Cell-Derived Factor-1alpha" . . . . . 97.14 68 100.00 100.00 9.56e-41 . . . . 16145 1 9 no PDB 2KEC . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 98.57 98.57 8.63e-42 . . . . 16145 1 10 no PDB 2KED . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 98.57 98.57 8.63e-42 . . . . 16145 1 11 no PDB 2KEE . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 100.00 100.00 1.33e-42 . . . . 16145 1 12 no PDB 2KOL . "Solution Structure Of Human Sdf1-Alpha H25r" . . . . . 97.14 68 98.53 98.53 1.53e-39 . . . . 16145 1 13 no PDB 2NWG . "Structure Of Cxcl12:heparin Disaccharide Complex" . . . . . 95.71 68 98.51 100.00 5.22e-40 . . . . 16145 1 14 no PDB 2SDF . "Solution Nmr Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), 30 Structures" . . . . . 95.71 67 100.00 100.00 4.32e-40 . . . . 16145 1 15 no PDB 3GV3 . "Cxcl12 (sdf) In Trigonal Space Group" . . . . . 90.00 63 98.41 100.00 6.20e-37 . . . . 16145 1 16 no PDB 3HP3 . "Crystal Structure Of Cxcl12" . . . . . 95.71 68 100.00 100.00 3.38e-40 . . . . 16145 1 17 no PDB 4LMQ . "Development And Preclinical Characterization Of A Humanized Antibody Targeting Cxcl12" . . . . . 87.14 61 100.00 100.00 2.18e-35 . . . . 16145 1 18 no PDB 4UAI . "Crystal Structure Of Cxcl12 In Complex With Inhibitor" . . . . . 97.14 68 100.00 100.00 9.56e-41 . . . . 16145 1 19 no DBJ BAA28601 . "stromal cell-derived factor-1 a [Felis catus]" . . . . . 100.00 89 97.14 97.14 2.19e-41 . . . . 16145 1 20 no DBJ BAA28602 . "stromal cell-derived factor-1 b [Felis catus]" . . . . . 100.00 93 97.14 97.14 2.11e-41 . . . . 16145 1 21 no DBJ BAF85317 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 89 97.14 97.14 2.58e-41 . . . . 16145 1 22 no DBJ BAG11056 . "stromal cell-derived factor 1 precursor [synthetic construct]" . . . . . 98.57 137 98.55 98.55 2.67e-41 . . . . 16145 1 23 no DBJ BAG34757 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 93 97.14 97.14 2.65e-41 . . . . 16145 1 24 no EMBL CAE11785 . "putative CXCL12 chemokine [Sus scrofa]" . . . . . 97.14 116 97.06 100.00 2.70e-41 . . . . 16145 1 25 no EMBL CAG29279 . "CXCL12 [Homo sapiens]" . . . . . 100.00 89 97.14 97.14 2.58e-41 . . . . 16145 1 26 no GB AAA97434 . "cytokine SDF-1-beta [Homo sapiens]" . . . . . 100.00 93 97.14 97.14 2.65e-41 . . . . 16145 1 27 no GB AAB39332 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 100.00 93 97.14 97.14 2.65e-41 . . . . 16145 1 28 no GB AAB39333 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 100.00 89 97.14 97.14 2.58e-41 . . . . 16145 1 29 no GB AAB40516 . "intercrine-alpha [Homo sapiens]" . . . . . 100.00 89 97.14 97.14 2.58e-41 . . . . 16145 1 30 no GB AAH39893 . "Chemokine (C-X-C motif) ligand 12 (stromal cell-derived factor 1) [Homo sapiens]" . . . . . 100.00 89 97.14 97.14 2.58e-41 . . . . 16145 1 31 no REF NP_000600 . "stromal cell-derived factor 1 isoform beta precursor [Homo sapiens]" . . . . . 100.00 93 97.14 97.14 2.65e-41 . . . . 16145 1 32 no REF NP_001009580 . "stromal cell-derived factor 1 precursor [Sus scrofa]" . . . . . 97.14 116 97.06 100.00 2.70e-41 . . . . 16145 1 33 no REF NP_001009847 . "stromal cell-derived factor 1 precursor [Felis catus]" . . . . . 100.00 93 97.14 97.14 2.11e-41 . . . . 16145 1 34 no REF NP_001012495 . "stromal cell-derived factor 1 isoform gamma precursor [Mus musculus]" . . . . . 98.57 119 97.10 98.55 1.75e-41 . . . . 16145 1 35 no REF NP_001028106 . "stromal cell-derived factor 1 precursor [Macaca mulatta]" . . . . . 100.00 89 97.14 97.14 2.22e-41 . . . . 16145 1 36 no SP O62657 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; AltName: Full=C-X-C motif chemokine 12; Flags: Precursor" . . . . . 100.00 93 97.14 97.14 2.11e-41 . . . . 16145 1 37 no SP P48061 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; Short=hSDF-1; AltName: Full=C-X-C motif chemokine 12; AltName: Full=I" . . . . . 100.00 93 97.14 97.14 2.65e-41 . . . . 16145 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 . 16145 1 2 . SER . 16145 1 3 . LYS . 16145 1 4 . PRO . 16145 1 5 . VAL . 16145 1 6 . SER . 16145 1 7 . LEU . 16145 1 8 . SER . 16145 1 9 . TYR . 16145 1 10 . ARG . 16145 1 11 . CYS . 16145 1 12 . PRO . 16145 1 13 . CYS . 16145 1 14 . ARG . 16145 1 15 . PHE . 16145 1 16 . PHE . 16145 1 17 . GLU . 16145 1 18 . SER . 16145 1 19 . HIS . 16145 1 20 . VAL . 16145 1 21 . ALA . 16145 1 22 . ARG . 16145 1 23 . ALA . 16145 1 24 . ASN . 16145 1 25 . VAL . 16145 1 26 . LYS . 16145 1 27 . HIS . 16145 1 28 . LEU . 16145 1 29 . LYS . 16145 1 30 . ILE . 16145 1 31 . LEU . 16145 1 32 . ASN . 16145 1 33 . THR . 16145 1 34 . PRO . 16145 1 35 . ASN . 16145 1 36 . CYS . 16145 1 37 . ALA . 16145 1 38 . LEU . 16145 1 39 . GLN . 16145 1 40 . ILE . 16145 1 41 . VAL . 16145 1 42 . ALA . 16145 1 43 . ARG . 16145 1 44 . LEU . 16145 1 45 . LYS . 16145 1 46 . ASN . 16145 1 47 . ASN . 16145 1 48 . ASN . 16145 1 49 . ARG . 16145 1 50 . GLN . 16145 1 51 . VAL . 16145 1 52 . CYS . 16145 1 53 . ILE . 16145 1 54 . ASP . 16145 1 55 . PRO . 16145 1 56 . LYS . 16145 1 57 . LEU . 16145 1 58 . LYS . 16145 1 59 . TRP . 16145 1 60 . ILE . 16145 1 61 . GLN . 16145 1 62 . GLU . 16145 1 63 . TYR . 16145 1 64 . LEU . 16145 1 65 . GLU . 16145 1 66 . LYS . 16145 1 67 . ALA . 16145 1 68 . LEU . 16145 1 69 . ASN . 16145 1 70 . LYS . 16145 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 16145 1 . SER 2 2 16145 1 . LYS 3 3 16145 1 . PRO 4 4 16145 1 . VAL 5 5 16145 1 . SER 6 6 16145 1 . LEU 7 7 16145 1 . SER 8 8 16145 1 . TYR 9 9 16145 1 . ARG 10 10 16145 1 . CYS 11 11 16145 1 . PRO 12 12 16145 1 . CYS 13 13 16145 1 . ARG 14 14 16145 1 . PHE 15 15 16145 1 . PHE 16 16 16145 1 . GLU 17 17 16145 1 . SER 18 18 16145 1 . HIS 19 19 16145 1 . VAL 20 20 16145 1 . ALA 21 21 16145 1 . ARG 22 22 16145 1 . ALA 23 23 16145 1 . ASN 24 24 16145 1 . VAL 25 25 16145 1 . LYS 26 26 16145 1 . HIS 27 27 16145 1 . LEU 28 28 16145 1 . LYS 29 29 16145 1 . ILE 30 30 16145 1 . LEU 31 31 16145 1 . ASN 32 32 16145 1 . THR 33 33 16145 1 . PRO 34 34 16145 1 . ASN 35 35 16145 1 . CYS 36 36 16145 1 . ALA 37 37 16145 1 . LEU 38 38 16145 1 . GLN 39 39 16145 1 . ILE 40 40 16145 1 . VAL 41 41 16145 1 . ALA 42 42 16145 1 . ARG 43 43 16145 1 . LEU 44 44 16145 1 . LYS 45 45 16145 1 . ASN 46 46 16145 1 . ASN 47 47 16145 1 . ASN 48 48 16145 1 . ARG 49 49 16145 1 . GLN 50 50 16145 1 . VAL 51 51 16145 1 . CYS 52 52 16145 1 . ILE 53 53 16145 1 . ASP 54 54 16145 1 . PRO 55 55 16145 1 . LYS 56 56 16145 1 . LEU 57 57 16145 1 . LYS 58 58 16145 1 . TRP 59 59 16145 1 . ILE 60 60 16145 1 . GLN 61 61 16145 1 . GLU 62 62 16145 1 . TYR 63 63 16145 1 . LEU 64 64 16145 1 . GLU 65 65 16145 1 . LYS 66 66 16145 1 . ALA 67 67 16145 1 . LEU 68 68 16145 1 . ASN 69 69 16145 1 . LYS 70 70 16145 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 16145 _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 $CXCL12_SDF1-alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16145 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 16145 _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 $CXCL12_SDF1-alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . . . . 16145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16145 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM CXCL12 U-15N/13C pH 6.8 20mM MES' _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 CXCL12/SDF1-alpha '[U-100% 13C; U-100% 15N]' . . 1 $CXCL12_SDF1-alpha . . 1.2 . . mM . . . . 16145 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16145 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16145 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16145 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 16145 _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' 0.001 . mM 16145 1 pH 6.8 . pH 16145 1 pressure 1 . atm 16145 1 temperature 298 . K 16145 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16145 _Software.ID 1 _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, Kuszewski, Tjandra and Clore' . . 16145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16145 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16145 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16145 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16145 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16145 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16145 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16145 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16145 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16145 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16145 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16145 _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 'Guntert, Mumenthaler and Wuthrich' . . 16145 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16145 5 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 16145 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16145 _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 . . . 16145 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 16145 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16145 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16145 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16145 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 16145 _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 . . . . . . . . . 16145 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16145 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16145 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 16145 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 16145 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 16145 1 2 3D_13C-separated_NOESY . . . 16145 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16145 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 3 3 LYS H H 1 8.411 0.020 . 1 . . . . 1 LYS H . 16145 1 2 . 1 1 3 3 LYS HA H 1 4.607 0.020 . 1 . . . . 1 LYS HA . 16145 1 3 . 1 1 3 3 LYS HB2 H 1 1.790 0.020 . 2 . . . . 1 LYS HB2 . 16145 1 4 . 1 1 3 3 LYS HB3 H 1 1.697 0.020 . 2 . . . . 1 LYS HB3 . 16145 1 5 . 1 1 3 3 LYS HD2 H 1 1.667 0.009 . 2 . . . . 1 LYS HD2 . 16145 1 6 . 1 1 3 3 LYS HD3 H 1 1.667 0.009 . 2 . . . . 1 LYS HD3 . 16145 1 7 . 1 1 3 3 LYS HE2 H 1 2.976 0.020 . 2 . . . . 1 LYS HE2 . 16145 1 8 . 1 1 3 3 LYS HE3 H 1 2.976 0.020 . 2 . . . . 1 LYS HE3 . 16145 1 9 . 1 1 3 3 LYS HG2 H 1 1.450 0.020 . 2 . . . . 1 LYS HG2 . 16145 1 10 . 1 1 3 3 LYS HG3 H 1 1.450 0.020 . 2 . . . . 1 LYS HG3 . 16145 1 11 . 1 1 3 3 LYS C C 13 174.545 0.200 . 1 . . . . 1 LYS C . 16145 1 12 . 1 1 3 3 LYS CA C 13 54.298 0.200 . 1 . . . . 1 LYS CA . 16145 1 13 . 1 1 3 3 LYS CB C 13 32.620 0.200 . 1 . . . . 1 LYS CB . 16145 1 14 . 1 1 3 3 LYS CD C 13 29.061 0.200 . 1 . . . . 1 LYS CD . 16145 1 15 . 1 1 3 3 LYS CE C 13 42.003 0.200 . 1 . . . . 1 LYS CE . 16145 1 16 . 1 1 3 3 LYS CG C 13 24.854 0.200 . 1 . . . . 1 LYS CG . 16145 1 17 . 1 1 3 3 LYS N N 15 124.482 0.200 . 1 . . . . 1 LYS N . 16145 1 18 . 1 1 4 4 PRO HA H 1 4.447 0.020 . 1 . . . . 2 PRO HA . 16145 1 19 . 1 1 4 4 PRO HB2 H 1 2.250 0.002 . 2 . . . . 2 PRO HB2 . 16145 1 20 . 1 1 4 4 PRO HB3 H 1 1.840 0.002 . 2 . . . . 2 PRO HB3 . 16145 1 21 . 1 1 4 4 PRO HD2 H 1 3.825 0.003 . 2 . . . . 2 PRO HD2 . 16145 1 22 . 1 1 4 4 PRO HD3 H 1 3.601 0.002 . 2 . . . . 2 PRO HD3 . 16145 1 23 . 1 1 4 4 PRO HG2 H 1 1.991 0.006 . 2 . . . . 2 PRO HG2 . 16145 1 24 . 1 1 4 4 PRO HG3 H 1 1.991 0.006 . 2 . . . . 2 PRO HG3 . 16145 1 25 . 1 1 4 4 PRO C C 13 176.996 0.200 . 1 . . . . 2 PRO C . 16145 1 26 . 1 1 4 4 PRO CA C 13 63.494 0.200 . 1 . . . . 2 PRO CA . 16145 1 27 . 1 1 4 4 PRO CB C 13 32.161 0.200 . 1 . . . . 2 PRO CB . 16145 1 28 . 1 1 4 4 PRO CD C 13 50.870 0.001 . 1 . . . . 2 PRO CD . 16145 1 29 . 1 1 4 4 PRO CG C 13 27.560 0.200 . 1 . . . . 2 PRO CG . 16145 1 30 . 1 1 5 5 VAL H H 1 8.292 0.020 . 1 . . . . 3 VAL H . 16145 1 31 . 1 1 5 5 VAL HA H 1 4.074 0.006 . 1 . . . . 3 VAL HA . 16145 1 32 . 1 1 5 5 VAL HB H 1 2.040 0.020 . 1 . . . . 3 VAL HB . 16145 1 33 . 1 1 5 5 VAL HG11 H 1 0.938 0.020 . 2 . . . . 3 VAL QG1 . 16145 1 34 . 1 1 5 5 VAL HG12 H 1 0.938 0.020 . 2 . . . . 3 VAL QG1 . 16145 1 35 . 1 1 5 5 VAL HG13 H 1 0.938 0.020 . 2 . . . . 3 VAL QG1 . 16145 1 36 . 1 1 5 5 VAL HG21 H 1 0.938 0.020 . 2 . . . . 3 VAL QG2 . 16145 1 37 . 1 1 5 5 VAL HG22 H 1 0.938 0.020 . 2 . . . . 3 VAL QG2 . 16145 1 38 . 1 1 5 5 VAL HG23 H 1 0.938 0.020 . 2 . . . . 3 VAL QG2 . 16145 1 39 . 1 1 5 5 VAL C C 13 176.376 0.012 . 1 . . . . 3 VAL C . 16145 1 40 . 1 1 5 5 VAL CA C 13 62.495 0.200 . 1 . . . . 3 VAL CA . 16145 1 41 . 1 1 5 5 VAL CB C 13 32.808 0.200 . 1 . . . . 3 VAL CB . 16145 1 42 . 1 1 5 5 VAL CG1 C 13 21.000 0.200 . 1 . . . . 3 VAL CG1 . 16145 1 43 . 1 1 5 5 VAL N N 15 121.008 0.200 . 1 . . . . 3 VAL N . 16145 1 44 . 1 1 6 6 SER H H 1 8.313 0.020 . 1 . . . . 4 SER H . 16145 1 45 . 1 1 6 6 SER HA H 1 4.419 0.002 . 1 . . . . 4 SER HA . 16145 1 46 . 1 1 6 6 SER HB2 H 1 3.792 0.020 . 2 . . . . 4 SER HB2 . 16145 1 47 . 1 1 6 6 SER HB3 H 1 3.792 0.020 . 2 . . . . 4 SER HB3 . 16145 1 48 . 1 1 6 6 SER C C 13 174.577 0.002 . 1 . . . . 4 SER C . 16145 1 49 . 1 1 6 6 SER CA C 13 58.148 0.200 . 1 . . . . 4 SER CA . 16145 1 50 . 1 1 6 6 SER CB C 13 63.870 0.200 . 1 . . . . 4 SER CB . 16145 1 51 . 1 1 6 6 SER N N 15 119.573 0.200 . 1 . . . . 4 SER N . 16145 1 52 . 1 1 7 7 LEU H H 1 8.326 0.020 . 1 . . . . 5 LEU H . 16145 1 53 . 1 1 7 7 LEU HA H 1 4.342 0.020 . 1 . . . . 5 LEU HA . 16145 1 54 . 1 1 7 7 LEU HB2 H 1 1.577 0.020 . 2 . . . . 5 LEU HB2 . 16145 1 55 . 1 1 7 7 LEU HB3 H 1 1.482 0.020 . 2 . . . . 5 LEU HB3 . 16145 1 56 . 1 1 7 7 LEU HD11 H 1 0.846 0.020 . 2 . . . . 5 LEU QD1 . 16145 1 57 . 1 1 7 7 LEU HD12 H 1 0.846 0.020 . 2 . . . . 5 LEU QD1 . 16145 1 58 . 1 1 7 7 LEU HD13 H 1 0.846 0.020 . 2 . . . . 5 LEU QD1 . 16145 1 59 . 1 1 7 7 LEU HD21 H 1 0.846 0.020 . 2 . . . . 5 LEU QD2 . 16145 1 60 . 1 1 7 7 LEU HD22 H 1 0.846 0.020 . 2 . . . . 5 LEU QD2 . 16145 1 61 . 1 1 7 7 LEU HD23 H 1 0.846 0.020 . 2 . . . . 5 LEU QD2 . 16145 1 62 . 1 1 7 7 LEU HG H 1 1.579 0.004 . 1 . . . . 5 LEU HG . 16145 1 63 . 1 1 7 7 LEU C C 13 177.341 0.005 . 1 . . . . 5 LEU C . 16145 1 64 . 1 1 7 7 LEU CA C 13 55.388 0.200 . 1 . . . . 5 LEU CA . 16145 1 65 . 1 1 7 7 LEU CB C 13 42.650 0.200 . 1 . . . . 5 LEU CB . 16145 1 66 . 1 1 7 7 LEU CD1 C 13 25.366 0.200 . 1 . . . . 5 LEU CD1 . 16145 1 67 . 1 1 7 7 LEU CG C 13 27.495 0.200 . 1 . . . . 5 LEU CG . 16145 1 68 . 1 1 7 7 LEU N N 15 125.039 0.200 . 1 . . . . 5 LEU N . 16145 1 69 . 1 1 8 8 SER H H 1 8.157 0.020 . 1 . . . . 6 SER H . 16145 1 70 . 1 1 8 8 SER HA H 1 4.360 0.004 . 1 . . . . 6 SER HA . 16145 1 71 . 1 1 8 8 SER HB2 H 1 3.760 0.020 . 2 . . . . 6 SER HB2 . 16145 1 72 . 1 1 8 8 SER HB3 H 1 3.760 0.020 . 2 . . . . 6 SER HB3 . 16145 1 73 . 1 1 8 8 SER C C 13 174.189 0.001 . 1 . . . . 6 SER C . 16145 1 74 . 1 1 8 8 SER CA C 13 58.433 0.200 . 1 . . . . 6 SER CA . 16145 1 75 . 1 1 8 8 SER CB C 13 63.870 0.200 . 1 . . . . 6 SER CB . 16145 1 76 . 1 1 8 8 SER N N 15 116.154 0.200 . 1 . . . . 6 SER N . 16145 1 77 . 1 1 9 9 TYR H H 1 8.017 0.020 . 1 . . . . 7 TYR H . 16145 1 78 . 1 1 9 9 TYR HA H 1 4.512 0.001 . 1 . . . . 7 TYR HA . 16145 1 79 . 1 1 9 9 TYR HB2 H 1 3.018 0.020 . 2 . . . . 7 TYR HB2 . 16145 1 80 . 1 1 9 9 TYR HB3 H 1 2.880 0.020 . 2 . . . . 7 TYR HB3 . 16145 1 81 . 1 1 9 9 TYR HD1 H 1 7.081 0.020 . 1 . . . . 7 TYR HD1 . 16145 1 82 . 1 1 9 9 TYR HD2 H 1 7.081 0.020 . 1 . . . . 7 TYR HD2 . 16145 1 83 . 1 1 9 9 TYR HE1 H 1 6.797 0.003 . 1 . . . . 7 TYR HE1 . 16145 1 84 . 1 1 9 9 TYR HE2 H 1 6.797 0.003 . 1 . . . . 7 TYR HE2 . 16145 1 85 . 1 1 9 9 TYR C C 13 175.520 0.001 . 1 . . . . 7 TYR C . 16145 1 86 . 1 1 9 9 TYR CA C 13 58.008 0.200 . 1 . . . . 7 TYR CA . 16145 1 87 . 1 1 9 9 TYR CB C 13 38.956 0.200 . 1 . . . . 7 TYR CB . 16145 1 88 . 1 1 9 9 TYR CD1 C 13 133.298 0.200 . 1 . . . . 7 TYR CD1 . 16145 1 89 . 1 1 9 9 TYR CE1 C 13 118.338 0.200 . 1 . . . . 7 TYR CE1 . 16145 1 90 . 1 1 9 9 TYR N N 15 122.213 0.200 . 1 . . . . 7 TYR N . 16145 1 91 . 1 1 10 10 ARG H H 1 8.152 0.020 . 1 . . . . 8 ARG H . 16145 1 92 . 1 1 10 10 ARG HA H 1 4.260 0.004 . 1 . . . . 8 ARG HA . 16145 1 93 . 1 1 10 10 ARG HB2 H 1 1.768 0.020 . 2 . . . . 8 ARG HB2 . 16145 1 94 . 1 1 10 10 ARG HB3 H 1 1.673 0.020 . 2 . . . . 8 ARG HB3 . 16145 1 95 . 1 1 10 10 ARG HD2 H 1 3.124 0.020 . 2 . . . . 8 ARG HD2 . 16145 1 96 . 1 1 10 10 ARG HD3 H 1 3.124 0.020 . 2 . . . . 8 ARG HD3 . 16145 1 97 . 1 1 10 10 ARG HG2 H 1 1.490 0.020 . 2 . . . . 8 ARG HG2 . 16145 1 98 . 1 1 10 10 ARG HG3 H 1 1.490 0.020 . 2 . . . . 8 ARG HG3 . 16145 1 99 . 1 1 10 10 ARG C C 13 175.918 0.001 . 1 . . . . 8 ARG C . 16145 1 100 . 1 1 10 10 ARG CA C 13 56.104 0.200 . 1 . . . . 8 ARG CA . 16145 1 101 . 1 1 10 10 ARG CB C 13 30.875 0.200 . 1 . . . . 8 ARG CB . 16145 1 102 . 1 1 10 10 ARG CD C 13 43.809 0.200 . 1 . . . . 8 ARG CD . 16145 1 103 . 1 1 10 10 ARG CG C 13 27.145 0.200 . 1 . . . . 8 ARG CG . 16145 1 104 . 1 1 10 10 ARG N N 15 122.182 0.200 . 1 . . . . 8 ARG N . 16145 1 105 . 1 1 11 11 CYS H H 1 8.132 0.020 . 1 . . . . 9 CYS H . 16145 1 106 . 1 1 11 11 CYS HA H 1 4.935 0.020 . 1 . . . . 9 CYS HA . 16145 1 107 . 1 1 11 11 CYS HB2 H 1 3.200 0.005 . 2 . . . . 9 CYS HB2 . 16145 1 108 . 1 1 11 11 CYS HB3 H 1 2.693 0.002 . 2 . . . . 9 CYS HB3 . 16145 1 109 . 1 1 11 11 CYS C C 13 173.615 0.200 . 1 . . . . 9 CYS C . 16145 1 110 . 1 1 11 11 CYS CA C 13 53.127 0.200 . 1 . . . . 9 CYS CA . 16145 1 111 . 1 1 11 11 CYS CB C 13 40.201 0.028 . 1 . . . . 9 CYS CB . 16145 1 112 . 1 1 11 11 CYS N N 15 121.280 0.200 . 1 . . . . 9 CYS N . 16145 1 113 . 1 1 12 12 PRO HA H 1 4.290 0.020 . 1 . . . . 10 PRO HA . 16145 1 114 . 1 1 12 12 PRO HB2 H 1 2.289 0.020 . 2 . . . . 10 PRO HB2 . 16145 1 115 . 1 1 12 12 PRO HB3 H 1 1.844 0.020 . 2 . . . . 10 PRO HB3 . 16145 1 116 . 1 1 12 12 PRO HD2 H 1 3.838 0.020 . 2 . . . . 10 PRO HD2 . 16145 1 117 . 1 1 12 12 PRO HD3 H 1 3.838 0.020 . 2 . . . . 10 PRO HD3 . 16145 1 118 . 1 1 12 12 PRO HG2 H 1 2.014 0.020 . 2 . . . . 10 PRO HG2 . 16145 1 119 . 1 1 12 12 PRO HG3 H 1 2.014 0.020 . 2 . . . . 10 PRO HG3 . 16145 1 120 . 1 1 12 12 PRO C C 13 177.703 0.200 . 1 . . . . 10 PRO C . 16145 1 121 . 1 1 12 12 PRO CA C 13 64.835 0.200 . 1 . . . . 10 PRO CA . 16145 1 122 . 1 1 12 12 PRO CB C 13 32.484 0.200 . 1 . . . . 10 PRO CB . 16145 1 123 . 1 1 12 12 PRO CD C 13 51.088 0.086 . 1 . . . . 10 PRO CD . 16145 1 124 . 1 1 12 12 PRO CG C 13 27.631 0.200 . 1 . . . . 10 PRO CG . 16145 1 125 . 1 1 13 13 CYS H H 1 8.300 0.001 . 1 . . . . 11 CYS H . 16145 1 126 . 1 1 13 13 CYS HA H 1 4.891 0.020 . 1 . . . . 11 CYS HA . 16145 1 127 . 1 1 13 13 CYS HB2 H 1 2.894 0.020 . 2 . . . . 11 CYS HB2 . 16145 1 128 . 1 1 13 13 CYS HB3 H 1 2.830 0.020 . 2 . . . . 11 CYS HB3 . 16145 1 129 . 1 1 13 13 CYS C C 13 174.202 0.200 . 1 . . . . 11 CYS C . 16145 1 130 . 1 1 13 13 CYS CA C 13 53.480 0.200 . 1 . . . . 11 CYS CA . 16145 1 131 . 1 1 13 13 CYS CB C 13 39.603 0.200 . 1 . . . . 11 CYS CB . 16145 1 132 . 1 1 13 13 CYS N N 15 114.161 0.200 . 1 . . . . 11 CYS N . 16145 1 133 . 1 1 14 14 ARG HA H 1 3.963 0.020 . 1 . . . . 12 ARG HA . 16145 1 134 . 1 1 14 14 ARG HB2 H 1 1.523 0.004 . 2 . . . . 12 ARG HB2 . 16145 1 135 . 1 1 14 14 ARG HB3 H 1 1.475 0.020 . 2 . . . . 12 ARG HB3 . 16145 1 136 . 1 1 14 14 ARG HD2 H 1 2.940 0.003 . 2 . . . . 12 ARG HD2 . 16145 1 137 . 1 1 14 14 ARG HD3 H 1 2.940 0.003 . 2 . . . . 12 ARG HD3 . 16145 1 138 . 1 1 14 14 ARG HG2 H 1 1.246 0.002 . 2 . . . . 12 ARG HG2 . 16145 1 139 . 1 1 14 14 ARG HG3 H 1 1.153 0.003 . 2 . . . . 12 ARG HG3 . 16145 1 140 . 1 1 14 14 ARG C C 13 175.202 0.200 . 1 . . . . 12 ARG C . 16145 1 141 . 1 1 14 14 ARG CA C 13 57.293 0.200 . 1 . . . . 12 ARG CA . 16145 1 142 . 1 1 14 14 ARG CB C 13 31.099 0.200 . 1 . . . . 12 ARG CB . 16145 1 143 . 1 1 14 14 ARG CD C 13 43.350 0.200 . 1 . . . . 12 ARG CD . 16145 1 144 . 1 1 14 14 ARG CG C 13 26.872 0.001 . 1 . . . . 12 ARG CG . 16145 1 145 . 1 1 15 15 PHE H H 1 7.543 0.001 . 1 . . . . 13 PHE H . 16145 1 146 . 1 1 15 15 PHE HA H 1 4.496 0.004 . 1 . . . . 13 PHE HA . 16145 1 147 . 1 1 15 15 PHE HB2 H 1 3.078 0.007 . 2 . . . . 13 PHE HB2 . 16145 1 148 . 1 1 15 15 PHE HB3 H 1 2.785 0.020 . 2 . . . . 13 PHE HB3 . 16145 1 149 . 1 1 15 15 PHE HD1 H 1 7.170 0.020 . 1 . . . . 13 PHE HD1 . 16145 1 150 . 1 1 15 15 PHE HD2 H 1 7.170 0.020 . 1 . . . . 13 PHE HD2 . 16145 1 151 . 1 1 15 15 PHE HE1 H 1 7.288 0.020 . 1 . . . . 13 PHE HE1 . 16145 1 152 . 1 1 15 15 PHE HE2 H 1 7.288 0.020 . 1 . . . . 13 PHE HE2 . 16145 1 153 . 1 1 15 15 PHE HZ H 1 7.261 0.020 . 1 . . . . 13 PHE HZ . 16145 1 154 . 1 1 15 15 PHE C C 13 174.226 0.010 . 1 . . . . 13 PHE C . 16145 1 155 . 1 1 15 15 PHE CA C 13 55.971 0.200 . 1 . . . . 13 PHE CA . 16145 1 156 . 1 1 15 15 PHE CB C 13 41.032 0.200 . 1 . . . . 13 PHE CB . 16145 1 157 . 1 1 15 15 PHE CD1 C 13 132.275 0.200 . 1 . . . . 13 PHE CD1 . 16145 1 158 . 1 1 15 15 PHE CE1 C 13 132.754 0.200 . 1 . . . . 13 PHE CE1 . 16145 1 159 . 1 1 15 15 PHE CZ C 13 129.771 0.200 . 1 . . . . 13 PHE CZ . 16145 1 160 . 1 1 15 15 PHE N N 15 116.175 0.200 . 1 . . . . 13 PHE N . 16145 1 161 . 1 1 16 16 PHE H H 1 8.305 0.004 . 1 . . . . 14 PHE H . 16145 1 162 . 1 1 16 16 PHE HA H 1 4.812 0.001 . 1 . . . . 14 PHE HA . 16145 1 163 . 1 1 16 16 PHE HB2 H 1 2.815 0.020 . 2 . . . . 14 PHE HB2 . 16145 1 164 . 1 1 16 16 PHE HB3 H 1 2.738 0.020 . 2 . . . . 14 PHE HB3 . 16145 1 165 . 1 1 16 16 PHE HD1 H 1 6.976 0.006 . 1 . . . . 14 PHE HD1 . 16145 1 166 . 1 1 16 16 PHE HD2 H 1 6.976 0.006 . 1 . . . . 14 PHE HD2 . 16145 1 167 . 1 1 16 16 PHE HE1 H 1 7.264 0.007 . 1 . . . . 14 PHE HE1 . 16145 1 168 . 1 1 16 16 PHE HE2 H 1 7.264 0.007 . 1 . . . . 14 PHE HE2 . 16145 1 169 . 1 1 16 16 PHE HZ H 1 7.194 0.020 . 1 . . . . 14 PHE HZ . 16145 1 170 . 1 1 16 16 PHE C C 13 175.247 0.001 . 1 . . . . 14 PHE C . 16145 1 171 . 1 1 16 16 PHE CA C 13 55.559 0.200 . 1 . . . . 14 PHE CA . 16145 1 172 . 1 1 16 16 PHE CB C 13 41.220 0.200 . 1 . . . . 14 PHE CB . 16145 1 173 . 1 1 16 16 PHE CD1 C 13 131.888 0.200 . 1 . . . . 14 PHE CD1 . 16145 1 174 . 1 1 16 16 PHE CE1 C 13 131.530 0.200 . 1 . . . . 14 PHE CE1 . 16145 1 175 . 1 1 16 16 PHE CZ C 13 130.151 0.200 . 1 . . . . 14 PHE CZ . 16145 1 176 . 1 1 16 16 PHE N N 15 119.656 0.200 . 1 . . . . 14 PHE N . 16145 1 177 . 1 1 17 17 GLU H H 1 8.879 0.001 . 1 . . . . 15 GLU H . 16145 1 178 . 1 1 17 17 GLU HA H 1 4.536 0.003 . 1 . . . . 15 GLU HA . 16145 1 179 . 1 1 17 17 GLU HB2 H 1 2.086 0.007 . 2 . . . . 15 GLU HB2 . 16145 1 180 . 1 1 17 17 GLU HB3 H 1 1.934 0.011 . 2 . . . . 15 GLU HB3 . 16145 1 181 . 1 1 17 17 GLU HG2 H 1 2.366 0.002 . 2 . . . . 15 GLU HG2 . 16145 1 182 . 1 1 17 17 GLU HG3 H 1 2.283 0.006 . 2 . . . . 15 GLU HG3 . 16145 1 183 . 1 1 17 17 GLU C C 13 176.747 0.012 . 1 . . . . 15 GLU C . 16145 1 184 . 1 1 17 17 GLU CA C 13 56.012 0.200 . 1 . . . . 15 GLU CA . 16145 1 185 . 1 1 17 17 GLU CB C 13 30.876 0.016 . 1 . . . . 15 GLU CB . 16145 1 186 . 1 1 17 17 GLU CG C 13 36.367 0.200 . 1 . . . . 15 GLU CG . 16145 1 187 . 1 1 17 17 GLU N N 15 122.563 0.200 . 1 . . . . 15 GLU N . 16145 1 188 . 1 1 18 18 SER H H 1 8.810 0.020 . 1 . . . . 16 SER H . 16145 1 189 . 1 1 18 18 SER HA H 1 4.673 0.020 . 1 . . . . 16 SER HA . 16145 1 190 . 1 1 18 18 SER HB2 H 1 3.830 0.020 . 2 . . . . 16 SER HB2 . 16145 1 191 . 1 1 18 18 SER HB3 H 1 3.643 0.020 . 2 . . . . 16 SER HB3 . 16145 1 192 . 1 1 18 18 SER C C 13 174.278 0.004 . 1 . . . . 16 SER C . 16145 1 193 . 1 1 18 18 SER CA C 13 59.799 0.200 . 1 . . . . 16 SER CA . 16145 1 194 . 1 1 18 18 SER CB C 13 63.999 0.200 . 1 . . . . 16 SER CB . 16145 1 195 . 1 1 18 18 SER N N 15 119.679 0.200 . 1 . . . . 16 SER N . 16145 1 196 . 1 1 19 19 HIS H H 1 8.712 0.005 . 1 . . . . 17 HIS H . 16145 1 197 . 1 1 19 19 HIS HA H 1 4.777 0.020 . 1 . . . . 17 HIS HA . 16145 1 198 . 1 1 19 19 HIS HB2 H 1 3.205 0.020 . 2 . . . . 17 HIS HB2 . 16145 1 199 . 1 1 19 19 HIS HB3 H 1 3.114 0.012 . 2 . . . . 17 HIS HB3 . 16145 1 200 . 1 1 19 19 HIS HD2 H 1 7.076 0.020 . 1 . . . . 17 HIS HD2 . 16145 1 201 . 1 1 19 19 HIS HE1 H 1 7.851 0.020 . 1 . . . . 17 HIS HE1 . 16145 1 202 . 1 1 19 19 HIS C C 13 174.580 0.006 . 1 . . . . 17 HIS C . 16145 1 203 . 1 1 19 19 HIS CA C 13 56.240 0.200 . 1 . . . . 17 HIS CA . 16145 1 204 . 1 1 19 19 HIS CB C 13 29.896 0.200 . 1 . . . . 17 HIS CB . 16145 1 205 . 1 1 19 19 HIS CD2 C 13 119.956 0.200 . 1 . . . . 17 HIS CD2 . 16145 1 206 . 1 1 19 19 HIS CE1 C 13 138.503 0.200 . 1 . . . . 17 HIS CE1 . 16145 1 207 . 1 1 19 19 HIS N N 15 120.269 0.200 . 1 . . . . 17 HIS N . 16145 1 208 . 1 1 20 20 VAL H H 1 7.145 0.001 . 1 . . . . 18 VAL H . 16145 1 209 . 1 1 20 20 VAL HA H 1 4.132 0.001 . 1 . . . . 18 VAL HA . 16145 1 210 . 1 1 20 20 VAL HB H 1 1.929 0.005 . 1 . . . . 18 VAL HB . 16145 1 211 . 1 1 20 20 VAL HG11 H 1 0.866 0.008 . 2 . . . . 18 VAL QG1 . 16145 1 212 . 1 1 20 20 VAL HG12 H 1 0.866 0.008 . 2 . . . . 18 VAL QG1 . 16145 1 213 . 1 1 20 20 VAL HG13 H 1 0.866 0.008 . 2 . . . . 18 VAL QG1 . 16145 1 214 . 1 1 20 20 VAL HG21 H 1 0.866 0.008 . 2 . . . . 18 VAL QG2 . 16145 1 215 . 1 1 20 20 VAL HG22 H 1 0.866 0.008 . 2 . . . . 18 VAL QG2 . 16145 1 216 . 1 1 20 20 VAL HG23 H 1 0.866 0.008 . 2 . . . . 18 VAL QG2 . 16145 1 217 . 1 1 20 20 VAL C C 13 174.138 0.007 . 1 . . . . 18 VAL C . 16145 1 218 . 1 1 20 20 VAL CA C 13 61.605 0.200 . 1 . . . . 18 VAL CA . 16145 1 219 . 1 1 20 20 VAL CB C 13 34.102 0.200 . 1 . . . . 18 VAL CB . 16145 1 220 . 1 1 20 20 VAL CG1 C 13 21.854 0.200 . 1 . . . . 18 VAL CG1 . 16145 1 221 . 1 1 20 20 VAL N N 15 120.100 0.200 . 1 . . . . 18 VAL N . 16145 1 222 . 1 1 21 21 ALA H H 1 8.554 0.009 . 1 . . . . 19 ALA H . 16145 1 223 . 1 1 21 21 ALA HA H 1 4.353 0.005 . 1 . . . . 19 ALA HA . 16145 1 224 . 1 1 21 21 ALA HB1 H 1 1.294 0.007 . 1 . . . . 19 ALA QB . 16145 1 225 . 1 1 21 21 ALA HB2 H 1 1.294 0.007 . 1 . . . . 19 ALA QB . 16145 1 226 . 1 1 21 21 ALA HB3 H 1 1.294 0.007 . 1 . . . . 19 ALA QB . 16145 1 227 . 1 1 21 21 ALA C C 13 177.514 0.007 . 1 . . . . 19 ALA C . 16145 1 228 . 1 1 21 21 ALA CA C 13 50.666 0.200 . 1 . . . . 19 ALA CA . 16145 1 229 . 1 1 21 21 ALA CB C 13 19.648 0.200 . 1 . . . . 19 ALA CB . 16145 1 230 . 1 1 21 21 ALA N N 15 131.180 0.200 . 1 . . . . 19 ALA N . 16145 1 231 . 1 1 22 22 ARG H H 1 7.813 0.003 . 1 . . . . 20 ARG H . 16145 1 232 . 1 1 22 22 ARG HA H 1 2.621 0.008 . 1 . . . . 20 ARG HA . 16145 1 233 . 1 1 22 22 ARG HB2 H 1 1.003 0.004 . 2 . . . . 20 ARG HB2 . 16145 1 234 . 1 1 22 22 ARG HB3 H 1 0.301 0.020 . 2 . . . . 20 ARG HB3 . 16145 1 235 . 1 1 22 22 ARG HD2 H 1 2.660 0.020 . 2 . . . . 20 ARG HD2 . 16145 1 236 . 1 1 22 22 ARG HD3 H 1 2.660 0.020 . 2 . . . . 20 ARG HD3 . 16145 1 237 . 1 1 22 22 ARG HG2 H 1 1.055 0.006 . 2 . . . . 20 ARG HG2 . 16145 1 238 . 1 1 22 22 ARG HG3 H 1 0.817 0.007 . 2 . . . . 20 ARG HG3 . 16145 1 239 . 1 1 22 22 ARG C C 13 178.531 0.007 . 1 . . . . 20 ARG C . 16145 1 240 . 1 1 22 22 ARG CA C 13 59.155 0.200 . 1 . . . . 20 ARG CA . 16145 1 241 . 1 1 22 22 ARG CB C 13 29.167 0.200 . 1 . . . . 20 ARG CB . 16145 1 242 . 1 1 22 22 ARG CD C 13 43.485 0.200 . 1 . . . . 20 ARG CD . 16145 1 243 . 1 1 22 22 ARG CG C 13 26.337 0.200 . 1 . . . . 20 ARG CG . 16145 1 244 . 1 1 22 22 ARG N N 15 124.436 0.200 . 1 . . . . 20 ARG N . 16145 1 245 . 1 1 23 23 ALA H H 1 8.191 0.004 . 1 . . . . 21 ALA H . 16145 1 246 . 1 1 23 23 ALA HA H 1 4.023 0.005 . 1 . . . . 21 ALA HA . 16145 1 247 . 1 1 23 23 ALA HB1 H 1 1.262 0.009 . 1 . . . . 21 ALA QB . 16145 1 248 . 1 1 23 23 ALA HB2 H 1 1.262 0.009 . 1 . . . . 21 ALA QB . 16145 1 249 . 1 1 23 23 ALA HB3 H 1 1.262 0.009 . 1 . . . . 21 ALA QB . 16145 1 250 . 1 1 23 23 ALA C C 13 177.743 0.006 . 1 . . . . 21 ALA C . 16145 1 251 . 1 1 23 23 ALA CA C 13 53.809 0.200 . 1 . . . . 21 ALA CA . 16145 1 252 . 1 1 23 23 ALA CB C 13 18.712 0.200 . 1 . . . . 21 ALA CB . 16145 1 253 . 1 1 23 23 ALA N N 15 117.354 0.200 . 1 . . . . 21 ALA N . 16145 1 254 . 1 1 24 24 ASN H H 1 7.738 0.004 . 1 . . . . 22 ASN H . 16145 1 255 . 1 1 24 24 ASN HA H 1 4.928 0.003 . 1 . . . . 22 ASN HA . 16145 1 256 . 1 1 24 24 ASN HB2 H 1 3.063 0.005 . 2 . . . . 22 ASN HB2 . 16145 1 257 . 1 1 24 24 ASN HB3 H 1 2.670 0.010 . 2 . . . . 22 ASN HB3 . 16145 1 258 . 1 1 24 24 ASN HD21 H 1 7.701 0.002 . 2 . . . . 22 ASN HD21 . 16145 1 259 . 1 1 24 24 ASN HD22 H 1 7.088 0.020 . 2 . . . . 22 ASN HD22 . 16145 1 260 . 1 1 24 24 ASN C C 13 174.889 0.200 . 1 . . . . 22 ASN C . 16145 1 261 . 1 1 24 24 ASN CA C 13 52.590 0.200 . 1 . . . . 22 ASN CA . 16145 1 262 . 1 1 24 24 ASN CB C 13 40.335 0.016 . 1 . . . . 22 ASN CB . 16145 1 263 . 1 1 24 24 ASN N N 15 112.797 0.200 . 1 . . . . 22 ASN N . 16145 1 264 . 1 1 24 24 ASN ND2 N 15 112.094 0.005 . 1 . . . . 22 ASN ND2 . 16145 1 265 . 1 1 25 25 VAL H H 1 7.438 0.007 . 1 . . . . 23 VAL H . 16145 1 266 . 1 1 25 25 VAL HA H 1 4.349 0.007 . 1 . . . . 23 VAL HA . 16145 1 267 . 1 1 25 25 VAL HB H 1 2.059 0.006 . 1 . . . . 23 VAL HB . 16145 1 268 . 1 1 25 25 VAL HG11 H 1 0.809 0.016 . 2 . . . . 23 VAL QG1 . 16145 1 269 . 1 1 25 25 VAL HG12 H 1 0.809 0.016 . 2 . . . . 23 VAL QG1 . 16145 1 270 . 1 1 25 25 VAL HG13 H 1 0.809 0.016 . 2 . . . . 23 VAL QG1 . 16145 1 271 . 1 1 25 25 VAL HG21 H 1 0.809 0.016 . 2 . . . . 23 VAL QG2 . 16145 1 272 . 1 1 25 25 VAL HG22 H 1 0.809 0.016 . 2 . . . . 23 VAL QG2 . 16145 1 273 . 1 1 25 25 VAL HG23 H 1 0.809 0.016 . 2 . . . . 23 VAL QG2 . 16145 1 274 . 1 1 25 25 VAL C C 13 174.594 0.007 . 1 . . . . 23 VAL C . 16145 1 275 . 1 1 25 25 VAL CA C 13 62.406 0.200 . 1 . . . . 23 VAL CA . 16145 1 276 . 1 1 25 25 VAL CB C 13 33.445 0.200 . 1 . . . . 23 VAL CB . 16145 1 277 . 1 1 25 25 VAL CG1 C 13 21.948 0.200 . 1 . . . . 23 VAL CG1 . 16145 1 278 . 1 1 25 25 VAL N N 15 118.653 0.200 . 1 . . . . 23 VAL N . 16145 1 279 . 1 1 26 26 LYS H H 1 9.262 0.003 . 1 . . . . 24 LYS H . 16145 1 280 . 1 1 26 26 LYS HA H 1 4.394 0.020 . 1 . . . . 24 LYS HA . 16145 1 281 . 1 1 26 26 LYS HB2 H 1 1.503 0.012 . 2 . . . . 24 LYS HB2 . 16145 1 282 . 1 1 26 26 LYS HB3 H 1 1.467 0.020 . 2 . . . . 24 LYS HB3 . 16145 1 283 . 1 1 26 26 LYS HD2 H 1 1.548 0.003 . 2 . . . . 24 LYS HD2 . 16145 1 284 . 1 1 26 26 LYS HD3 H 1 1.548 0.003 . 2 . . . . 24 LYS HD3 . 16145 1 285 . 1 1 26 26 LYS HE2 H 1 2.900 0.020 . 2 . . . . 24 LYS HE2 . 16145 1 286 . 1 1 26 26 LYS HE3 H 1 2.800 0.020 . 2 . . . . 24 LYS HE3 . 16145 1 287 . 1 1 26 26 LYS HG2 H 1 1.141 0.002 . 2 . . . . 24 LYS HG2 . 16145 1 288 . 1 1 26 26 LYS HG3 H 1 1.141 0.002 . 2 . . . . 24 LYS HG3 . 16145 1 289 . 1 1 26 26 LYS C C 13 175.247 0.001 . 1 . . . . 24 LYS C . 16145 1 290 . 1 1 26 26 LYS CA C 13 56.483 0.200 . 1 . . . . 24 LYS CA . 16145 1 291 . 1 1 26 26 LYS CB C 13 35.022 0.002 . 1 . . . . 24 LYS CB . 16145 1 292 . 1 1 26 26 LYS CD C 13 29.834 0.200 . 1 . . . . 24 LYS CD . 16145 1 293 . 1 1 26 26 LYS CE C 13 42.269 0.024 . 1 . . . . 24 LYS CE . 16145 1 294 . 1 1 26 26 LYS CG C 13 24.674 0.200 . 1 . . . . 24 LYS CG . 16145 1 295 . 1 1 26 26 LYS N N 15 125.308 0.200 . 1 . . . . 24 LYS N . 16145 1 296 . 1 1 27 27 HIS H H 1 7.749 0.007 . 1 . . . . 25 HIS H . 16145 1 297 . 1 1 27 27 HIS HA H 1 4.625 0.020 . 1 . . . . 25 HIS HA . 16145 1 298 . 1 1 27 27 HIS HB2 H 1 3.119 0.020 . 2 . . . . 25 HIS HB2 . 16145 1 299 . 1 1 27 27 HIS HB3 H 1 3.045 0.020 . 2 . . . . 25 HIS HB3 . 16145 1 300 . 1 1 27 27 HIS HD2 H 1 6.854 0.020 . 1 . . . . 25 HIS HD2 . 16145 1 301 . 1 1 27 27 HIS HE1 H 1 7.632 0.020 . 1 . . . . 25 HIS HE1 . 16145 1 302 . 1 1 27 27 HIS C C 13 173.157 0.200 . 1 . . . . 25 HIS C . 16145 1 303 . 1 1 27 27 HIS CA C 13 55.916 0.200 . 1 . . . . 25 HIS CA . 16145 1 304 . 1 1 27 27 HIS CB C 13 32.808 0.200 . 1 . . . . 25 HIS CB . 16145 1 305 . 1 1 27 27 HIS CD2 C 13 120.304 0.200 . 1 . . . . 25 HIS CD2 . 16145 1 306 . 1 1 27 27 HIS CE1 C 13 138.577 0.200 . 1 . . . . 25 HIS CE1 . 16145 1 307 . 1 1 27 27 HIS N N 15 115.509 0.200 . 1 . . . . 25 HIS N . 16145 1 308 . 1 1 28 28 LEU H H 1 8.117 0.020 . 1 . . . . 26 LEU H . 16145 1 309 . 1 1 28 28 LEU HA H 1 4.990 0.008 . 1 . . . . 26 LEU HA . 16145 1 310 . 1 1 28 28 LEU HB2 H 1 1.339 0.003 . 2 . . . . 26 LEU HB2 . 16145 1 311 . 1 1 28 28 LEU HB3 H 1 1.214 0.002 . 2 . . . . 26 LEU HB3 . 16145 1 312 . 1 1 28 28 LEU HD11 H 1 0.573 0.004 . 2 . . . . 26 LEU QD1 . 16145 1 313 . 1 1 28 28 LEU HD12 H 1 0.573 0.004 . 2 . . . . 26 LEU QD1 . 16145 1 314 . 1 1 28 28 LEU HD13 H 1 0.573 0.004 . 2 . . . . 26 LEU QD1 . 16145 1 315 . 1 1 28 28 LEU HD21 H 1 0.510 0.020 . 2 . . . . 26 LEU QD2 . 16145 1 316 . 1 1 28 28 LEU HD22 H 1 0.510 0.020 . 2 . . . . 26 LEU QD2 . 16145 1 317 . 1 1 28 28 LEU HD23 H 1 0.510 0.020 . 2 . . . . 26 LEU QD2 . 16145 1 318 . 1 1 28 28 LEU HG H 1 1.322 0.004 . 1 . . . . 26 LEU HG . 16145 1 319 . 1 1 28 28 LEU C C 13 175.514 0.200 . 1 . . . . 26 LEU C . 16145 1 320 . 1 1 28 28 LEU CA C 13 54.662 0.200 . 1 . . . . 26 LEU CA . 16145 1 321 . 1 1 28 28 LEU CB C 13 45.594 0.001 . 1 . . . . 26 LEU CB . 16145 1 322 . 1 1 28 28 LEU CD1 C 13 25.455 0.200 . 1 . . . . 26 LEU CD1 . 16145 1 323 . 1 1 28 28 LEU CD2 C 13 25.645 0.200 . 1 . . . . 26 LEU CD2 . 16145 1 324 . 1 1 28 28 LEU CG C 13 26.984 0.200 . 1 . . . . 26 LEU CG . 16145 1 325 . 1 1 29 29 LYS H H 1 9.028 0.003 . 1 . . . . 27 LYS H . 16145 1 326 . 1 1 29 29 LYS HA H 1 4.585 0.020 . 1 . . . . 27 LYS HA . 16145 1 327 . 1 1 29 29 LYS HB2 H 1 1.743 0.020 . 2 . . . . 27 LYS HB2 . 16145 1 328 . 1 1 29 29 LYS HB3 H 1 1.666 0.020 . 2 . . . . 27 LYS HB3 . 16145 1 329 . 1 1 29 29 LYS HD2 H 1 1.616 0.021 . 2 . . . . 27 LYS HD2 . 16145 1 330 . 1 1 29 29 LYS HD3 H 1 1.616 0.021 . 2 . . . . 27 LYS HD3 . 16145 1 331 . 1 1 29 29 LYS HE2 H 1 2.849 0.020 . 2 . . . . 27 LYS HE2 . 16145 1 332 . 1 1 29 29 LYS HE3 H 1 2.849 0.020 . 2 . . . . 27 LYS HE3 . 16145 1 333 . 1 1 29 29 LYS HG2 H 1 1.297 0.002 . 2 . . . . 27 LYS HG2 . 16145 1 334 . 1 1 29 29 LYS HG3 H 1 1.297 0.002 . 2 . . . . 27 LYS HG3 . 16145 1 335 . 1 1 29 29 LYS C C 13 173.758 0.200 . 1 . . . . 27 LYS C . 16145 1 336 . 1 1 29 29 LYS CA C 13 54.945 0.200 . 1 . . . . 27 LYS CA . 16145 1 337 . 1 1 29 29 LYS CB C 13 36.358 0.200 . 1 . . . . 27 LYS CB . 16145 1 338 . 1 1 29 29 LYS CD C 13 29.572 0.200 . 1 . . . . 27 LYS CD . 16145 1 339 . 1 1 29 29 LYS CE C 13 42.191 0.200 . 1 . . . . 27 LYS CE . 16145 1 340 . 1 1 29 29 LYS CG C 13 24.761 0.200 . 1 . . . . 27 LYS CG . 16145 1 341 . 1 1 29 29 LYS N N 15 122.904 0.200 . 1 . . . . 27 LYS N . 16145 1 342 . 1 1 30 30 ILE H H 1 8.540 0.020 . 1 . . . . 28 ILE H . 16145 1 343 . 1 1 30 30 ILE HA H 1 4.626 0.020 . 1 . . . . 28 ILE HA . 16145 1 344 . 1 1 30 30 ILE HB H 1 1.736 0.020 . 1 . . . . 28 ILE HB . 16145 1 345 . 1 1 30 30 ILE HD11 H 1 0.793 0.020 . 1 . . . . 28 ILE QD1 . 16145 1 346 . 1 1 30 30 ILE HD12 H 1 0.793 0.020 . 1 . . . . 28 ILE QD1 . 16145 1 347 . 1 1 30 30 ILE HD13 H 1 0.793 0.020 . 1 . . . . 28 ILE QD1 . 16145 1 348 . 1 1 30 30 ILE HG12 H 1 1.554 0.006 . 2 . . . . 28 ILE HG12 . 16145 1 349 . 1 1 30 30 ILE HG13 H 1 1.004 0.003 . 2 . . . . 28 ILE HG13 . 16145 1 350 . 1 1 30 30 ILE HG21 H 1 0.800 0.003 . 1 . . . . 28 ILE QG2 . 16145 1 351 . 1 1 30 30 ILE HG22 H 1 0.800 0.003 . 1 . . . . 28 ILE QG2 . 16145 1 352 . 1 1 30 30 ILE HG23 H 1 0.800 0.003 . 1 . . . . 28 ILE QG2 . 16145 1 353 . 1 1 30 30 ILE C C 13 175.988 0.012 . 1 . . . . 28 ILE C . 16145 1 354 . 1 1 30 30 ILE CA C 13 60.122 0.200 . 1 . . . . 28 ILE CA . 16145 1 355 . 1 1 30 30 ILE CB C 13 38.795 0.200 . 1 . . . . 28 ILE CB . 16145 1 356 . 1 1 30 30 ILE CD1 C 13 13.833 0.200 . 1 . . . . 28 ILE CD1 . 16145 1 357 . 1 1 30 30 ILE CG1 C 13 28.369 0.051 . 1 . . . . 28 ILE CG1 . 16145 1 358 . 1 1 30 30 ILE CG2 C 13 18.190 0.200 . 1 . . . . 28 ILE CG2 . 16145 1 359 . 1 1 30 30 ILE N N 15 123.517 0.200 . 1 . . . . 28 ILE N . 16145 1 360 . 1 1 31 31 LEU H H 1 8.961 0.020 . 1 . . . . 29 LEU H . 16145 1 361 . 1 1 31 31 LEU HA H 1 4.564 0.020 . 1 . . . . 29 LEU HA . 16145 1 362 . 1 1 31 31 LEU HB2 H 1 1.535 0.020 . 2 . . . . 29 LEU HB2 . 16145 1 363 . 1 1 31 31 LEU HB3 H 1 1.535 0.020 . 2 . . . . 29 LEU HB3 . 16145 1 364 . 1 1 31 31 LEU HD11 H 1 0.785 0.020 . 2 . . . . 29 LEU QD1 . 16145 1 365 . 1 1 31 31 LEU HD12 H 1 0.785 0.020 . 2 . . . . 29 LEU QD1 . 16145 1 366 . 1 1 31 31 LEU HD13 H 1 0.785 0.020 . 2 . . . . 29 LEU QD1 . 16145 1 367 . 1 1 31 31 LEU HD21 H 1 0.785 0.020 . 2 . . . . 29 LEU QD2 . 16145 1 368 . 1 1 31 31 LEU HD22 H 1 0.785 0.020 . 2 . . . . 29 LEU QD2 . 16145 1 369 . 1 1 31 31 LEU HD23 H 1 0.785 0.020 . 2 . . . . 29 LEU QD2 . 16145 1 370 . 1 1 31 31 LEU HG H 1 1.497 0.002 . 1 . . . . 29 LEU HG . 16145 1 371 . 1 1 31 31 LEU C C 13 176.005 0.200 . 1 . . . . 29 LEU C . 16145 1 372 . 1 1 31 31 LEU CA C 13 53.975 0.200 . 1 . . . . 29 LEU CA . 16145 1 373 . 1 1 31 31 LEU CB C 13 43.485 0.200 . 1 . . . . 29 LEU CB . 16145 1 374 . 1 1 31 31 LEU CD1 C 13 24.072 0.200 . 1 . . . . 29 LEU CD1 . 16145 1 375 . 1 1 31 31 LEU CG C 13 26.984 0.200 . 1 . . . . 29 LEU CG . 16145 1 376 . 1 1 31 31 LEU N N 15 128.881 0.200 . 1 . . . . 29 LEU N . 16145 1 377 . 1 1 32 32 ASN H H 1 8.763 0.020 . 1 . . . . 30 ASN H . 16145 1 378 . 1 1 32 32 ASN HA H 1 4.991 0.005 . 1 . . . . 30 ASN HA . 16145 1 379 . 1 1 32 32 ASN HB2 H 1 2.789 0.020 . 2 . . . . 30 ASN HB2 . 16145 1 380 . 1 1 32 32 ASN HB3 H 1 2.498 0.011 . 2 . . . . 30 ASN HB3 . 16145 1 381 . 1 1 32 32 ASN HD21 H 1 7.521 0.020 . 2 . . . . 30 ASN HD21 . 16145 1 382 . 1 1 32 32 ASN HD22 H 1 6.679 0.020 . 2 . . . . 30 ASN HD22 . 16145 1 383 . 1 1 32 32 ASN C C 13 174.462 0.012 . 1 . . . . 30 ASN C . 16145 1 384 . 1 1 32 32 ASN CA C 13 52.413 0.200 . 1 . . . . 30 ASN CA . 16145 1 385 . 1 1 32 32 ASN CB C 13 39.238 0.003 . 1 . . . . 30 ASN CB . 16145 1 386 . 1 1 32 32 ASN N N 15 124.019 0.200 . 1 . . . . 30 ASN N . 16145 1 387 . 1 1 32 32 ASN ND2 N 15 111.443 0.200 . 1 . . . . 30 ASN ND2 . 16145 1 388 . 1 1 33 33 THR H H 1 8.170 0.004 . 1 . . . . 31 THR H . 16145 1 389 . 1 1 33 33 THR HA H 1 4.628 0.020 . 1 . . . . 31 THR HA . 16145 1 390 . 1 1 33 33 THR HB H 1 3.945 0.005 . 1 . . . . 31 THR HB . 16145 1 391 . 1 1 33 33 THR HG21 H 1 1.253 0.002 . 1 . . . . 31 THR QG2 . 16145 1 392 . 1 1 33 33 THR HG22 H 1 1.253 0.002 . 1 . . . . 31 THR QG2 . 16145 1 393 . 1 1 33 33 THR HG23 H 1 1.253 0.002 . 1 . . . . 31 THR QG2 . 16145 1 394 . 1 1 33 33 THR CA C 13 59.475 0.200 . 1 . . . . 31 THR CA . 16145 1 395 . 1 1 33 33 THR CB C 13 70.435 0.200 . 1 . . . . 31 THR CB . 16145 1 396 . 1 1 33 33 THR CG2 C 13 22.304 0.200 . 1 . . . . 31 THR CG2 . 16145 1 397 . 1 1 33 33 THR N N 15 119.276 0.200 . 1 . . . . 31 THR N . 16145 1 398 . 1 1 34 34 PRO HA H 1 4.223 0.002 . 1 . . . . 32 PRO HA . 16145 1 399 . 1 1 34 34 PRO HB2 H 1 2.241 0.006 . 2 . . . . 32 PRO HB2 . 16145 1 400 . 1 1 34 34 PRO HB3 H 1 1.779 0.020 . 2 . . . . 32 PRO HB3 . 16145 1 401 . 1 1 34 34 PRO HD2 H 1 3.825 0.006 . 2 . . . . 32 PRO HD2 . 16145 1 402 . 1 1 34 34 PRO HD3 H 1 3.656 0.006 . 2 . . . . 32 PRO HD3 . 16145 1 403 . 1 1 34 34 PRO HG2 H 1 2.016 0.002 . 2 . . . . 32 PRO HG2 . 16145 1 404 . 1 1 34 34 PRO HG3 H 1 1.927 0.002 . 2 . . . . 32 PRO HG3 . 16145 1 405 . 1 1 34 34 PRO C C 13 176.814 0.200 . 1 . . . . 32 PRO C . 16145 1 406 . 1 1 34 34 PRO CA C 13 64.445 0.200 . 1 . . . . 32 PRO CA . 16145 1 407 . 1 1 34 34 PRO CB C 13 32.161 0.200 . 1 . . . . 32 PRO CB . 16145 1 408 . 1 1 34 34 PRO CD C 13 51.329 0.054 . 1 . . . . 32 PRO CD . 16145 1 409 . 1 1 34 34 PRO CG C 13 27.766 0.200 . 1 . . . . 32 PRO CG . 16145 1 410 . 1 1 35 35 ASN H H 1 8.574 0.008 . 1 . . . . 33 ASN H . 16145 1 411 . 1 1 35 35 ASN HA H 1 4.320 0.007 . 1 . . . . 33 ASN HA . 16145 1 412 . 1 1 35 35 ASN HB2 H 1 2.762 0.020 . 2 . . . . 33 ASN HB2 . 16145 1 413 . 1 1 35 35 ASN HB3 H 1 2.726 0.020 . 2 . . . . 33 ASN HB3 . 16145 1 414 . 1 1 35 35 ASN HD21 H 1 7.267 0.001 . 2 . . . . 33 ASN HD21 . 16145 1 415 . 1 1 35 35 ASN HD22 H 1 6.899 0.003 . 2 . . . . 33 ASN HD22 . 16145 1 416 . 1 1 35 35 ASN C C 13 174.344 0.001 . 1 . . . . 33 ASN C . 16145 1 417 . 1 1 35 35 ASN CA C 13 54.945 0.200 . 1 . . . . 33 ASN CA . 16145 1 418 . 1 1 35 35 ASN CB C 13 38.122 0.200 . 1 . . . . 33 ASN CB . 16145 1 419 . 1 1 35 35 ASN N N 15 113.042 0.200 . 1 . . . . 33 ASN N . 16145 1 420 . 1 1 35 35 ASN ND2 N 15 113.833 0.200 . 1 . . . . 33 ASN ND2 . 16145 1 421 . 1 1 36 36 CYS H H 1 7.554 0.007 . 1 . . . . 34 CYS H . 16145 1 422 . 1 1 36 36 CYS HA H 1 4.891 0.020 . 1 . . . . 34 CYS HA . 16145 1 423 . 1 1 36 36 CYS HB2 H 1 3.144 0.020 . 2 . . . . 34 CYS HB2 . 16145 1 424 . 1 1 36 36 CYS HB3 H 1 2.884 0.006 . 2 . . . . 34 CYS HB3 . 16145 1 425 . 1 1 36 36 CYS C C 13 173.880 0.007 . 1 . . . . 34 CYS C . 16145 1 426 . 1 1 36 36 CYS CA C 13 54.622 0.200 . 1 . . . . 34 CYS CA . 16145 1 427 . 1 1 36 36 CYS CB C 13 44.780 0.200 . 1 . . . . 34 CYS CB . 16145 1 428 . 1 1 36 36 CYS N N 15 116.301 0.200 . 1 . . . . 34 CYS N . 16145 1 429 . 1 1 37 37 ALA H H 1 8.418 0.006 . 1 . . . . 35 ALA H . 16145 1 430 . 1 1 37 37 ALA HA H 1 4.237 0.001 . 1 . . . . 35 ALA HA . 16145 1 431 . 1 1 37 37 ALA HB1 H 1 1.408 0.008 . 1 . . . . 35 ALA QB . 16145 1 432 . 1 1 37 37 ALA HB2 H 1 1.408 0.008 . 1 . . . . 35 ALA QB . 16145 1 433 . 1 1 37 37 ALA HB3 H 1 1.408 0.008 . 1 . . . . 35 ALA QB . 16145 1 434 . 1 1 37 37 ALA C C 13 176.677 0.200 . 1 . . . . 35 ALA C . 16145 1 435 . 1 1 37 37 ALA CA C 13 52.413 0.200 . 1 . . . . 35 ALA CA . 16145 1 436 . 1 1 37 37 ALA CB C 13 18.992 0.200 . 1 . . . . 35 ALA CB . 16145 1 437 . 1 1 37 37 ALA N N 15 125.001 0.200 . 1 . . . . 35 ALA N . 16145 1 438 . 1 1 38 38 LEU H H 1 8.060 0.020 . 1 . . . . 36 LEU H . 16145 1 439 . 1 1 38 38 LEU HA H 1 4.203 0.009 . 1 . . . . 36 LEU HA . 16145 1 440 . 1 1 38 38 LEU HB2 H 1 1.553 0.009 . 2 . . . . 36 LEU HB2 . 16145 1 441 . 1 1 38 38 LEU HB3 H 1 1.436 0.005 . 2 . . . . 36 LEU HB3 . 16145 1 442 . 1 1 38 38 LEU HD11 H 1 0.835 0.020 . 2 . . . . 36 LEU QD1 . 16145 1 443 . 1 1 38 38 LEU HD12 H 1 0.835 0.020 . 2 . . . . 36 LEU QD1 . 16145 1 444 . 1 1 38 38 LEU HD13 H 1 0.835 0.020 . 2 . . . . 36 LEU QD1 . 16145 1 445 . 1 1 38 38 LEU HD21 H 1 0.807 0.020 . 2 . . . . 36 LEU QD2 . 16145 1 446 . 1 1 38 38 LEU HD22 H 1 0.807 0.020 . 2 . . . . 36 LEU QD2 . 16145 1 447 . 1 1 38 38 LEU HD23 H 1 0.807 0.020 . 2 . . . . 36 LEU QD2 . 16145 1 448 . 1 1 38 38 LEU HG H 1 1.520 0.020 . 1 . . . . 36 LEU HG . 16145 1 449 . 1 1 38 38 LEU C C 13 176.194 0.004 . 1 . . . . 36 LEU C . 16145 1 450 . 1 1 38 38 LEU CA C 13 56.563 0.200 . 1 . . . . 36 LEU CA . 16145 1 451 . 1 1 38 38 LEU CB C 13 42.488 0.200 . 1 . . . . 36 LEU CB . 16145 1 452 . 1 1 38 38 LEU CD1 C 13 25.254 0.200 . 1 . . . . 36 LEU CD1 . 16145 1 453 . 1 1 38 38 LEU CD2 C 13 25.366 0.200 . 1 . . . . 36 LEU CD2 . 16145 1 454 . 1 1 38 38 LEU CG C 13 27.536 0.039 . 1 . . . . 36 LEU CG . 16145 1 455 . 1 1 38 38 LEU N N 15 121.548 0.200 . 1 . . . . 36 LEU N . 16145 1 456 . 1 1 39 39 GLN H H 1 8.434 0.001 . 1 . . . . 37 GLN H . 16145 1 457 . 1 1 39 39 GLN HA H 1 4.623 0.005 . 1 . . . . 37 GLN HA . 16145 1 458 . 1 1 39 39 GLN HB2 H 1 2.164 0.011 . 2 . . . . 37 GLN HB2 . 16145 1 459 . 1 1 39 39 GLN HB3 H 1 1.994 0.001 . 2 . . . . 37 GLN HB3 . 16145 1 460 . 1 1 39 39 GLN HE21 H 1 7.261 0.003 . 2 . . . . 37 GLN HE21 . 16145 1 461 . 1 1 39 39 GLN HE22 H 1 6.630 0.001 . 2 . . . . 37 GLN HE22 . 16145 1 462 . 1 1 39 39 GLN HG2 H 1 2.443 0.004 . 2 . . . . 37 GLN HG2 . 16145 1 463 . 1 1 39 39 GLN HG3 H 1 2.385 0.001 . 2 . . . . 37 GLN HG3 . 16145 1 464 . 1 1 39 39 GLN C C 13 173.581 0.009 . 1 . . . . 37 GLN C . 16145 1 465 . 1 1 39 39 GLN CA C 13 54.109 0.200 . 1 . . . . 37 GLN CA . 16145 1 466 . 1 1 39 39 GLN CB C 13 32.286 0.044 . 1 . . . . 37 GLN CB . 16145 1 467 . 1 1 39 39 GLN CG C 13 34.102 0.200 . 1 . . . . 37 GLN CG . 16145 1 468 . 1 1 39 39 GLN N N 15 123.271 0.200 . 1 . . . . 37 GLN N . 16145 1 469 . 1 1 39 39 GLN NE2 N 15 110.257 0.200 . 1 . . . . 37 GLN NE2 . 16145 1 470 . 1 1 40 40 ILE H H 1 9.408 0.020 . 1 . . . . 38 ILE H . 16145 1 471 . 1 1 40 40 ILE HA H 1 4.735 0.001 . 1 . . . . 38 ILE HA . 16145 1 472 . 1 1 40 40 ILE HB H 1 1.847 0.003 . 1 . . . . 38 ILE HB . 16145 1 473 . 1 1 40 40 ILE HD11 H 1 0.703 0.020 . 1 . . . . 38 ILE QD1 . 16145 1 474 . 1 1 40 40 ILE HD12 H 1 0.703 0.020 . 1 . . . . 38 ILE QD1 . 16145 1 475 . 1 1 40 40 ILE HD13 H 1 0.703 0.020 . 1 . . . . 38 ILE QD1 . 16145 1 476 . 1 1 40 40 ILE HG12 H 1 1.413 0.020 . 2 . . . . 38 ILE HG12 . 16145 1 477 . 1 1 40 40 ILE HG13 H 1 0.968 0.020 . 2 . . . . 38 ILE HG13 . 16145 1 478 . 1 1 40 40 ILE HG21 H 1 0.624 0.016 . 1 . . . . 38 ILE QG2 . 16145 1 479 . 1 1 40 40 ILE HG22 H 1 0.624 0.016 . 1 . . . . 38 ILE QG2 . 16145 1 480 . 1 1 40 40 ILE HG23 H 1 0.624 0.016 . 1 . . . . 38 ILE QG2 . 16145 1 481 . 1 1 40 40 ILE C C 13 174.547 0.016 . 1 . . . . 38 ILE C . 16145 1 482 . 1 1 40 40 ILE CA C 13 60.122 0.200 . 1 . . . . 38 ILE CA . 16145 1 483 . 1 1 40 40 ILE CB C 13 38.899 0.200 . 1 . . . . 38 ILE CB . 16145 1 484 . 1 1 40 40 ILE CD1 C 13 55.781 0.200 . 1 . . . . 38 ILE CD1 . 16145 1 485 . 1 1 40 40 ILE CG1 C 13 27.585 0.041 . 1 . . . . 38 ILE CG1 . 16145 1 486 . 1 1 40 40 ILE CG2 C 13 18.793 0.200 . 1 . . . . 38 ILE CG2 . 16145 1 487 . 1 1 40 40 ILE N N 15 124.702 0.200 . 1 . . . . 38 ILE N . 16145 1 488 . 1 1 41 41 VAL H H 1 8.826 0.001 . 1 . . . . 39 VAL H . 16145 1 489 . 1 1 41 41 VAL HA H 1 5.041 0.007 . 1 . . . . 39 VAL HA . 16145 1 490 . 1 1 41 41 VAL HB H 1 1.889 0.005 . 1 . . . . 39 VAL HB . 16145 1 491 . 1 1 41 41 VAL HG11 H 1 0.849 0.009 . 2 . . . . 39 VAL QG1 . 16145 1 492 . 1 1 41 41 VAL HG12 H 1 0.849 0.009 . 2 . . . . 39 VAL QG1 . 16145 1 493 . 1 1 41 41 VAL HG13 H 1 0.849 0.009 . 2 . . . . 39 VAL QG1 . 16145 1 494 . 1 1 41 41 VAL HG21 H 1 0.849 0.009 . 2 . . . . 39 VAL QG2 . 16145 1 495 . 1 1 41 41 VAL HG22 H 1 0.849 0.009 . 2 . . . . 39 VAL QG2 . 16145 1 496 . 1 1 41 41 VAL HG23 H 1 0.849 0.009 . 2 . . . . 39 VAL QG2 . 16145 1 497 . 1 1 41 41 VAL C C 13 174.772 0.012 . 1 . . . . 39 VAL C . 16145 1 498 . 1 1 41 41 VAL CA C 13 60.111 0.200 . 1 . . . . 39 VAL CA . 16145 1 499 . 1 1 41 41 VAL CB C 13 34.767 0.200 . 1 . . . . 39 VAL CB . 16145 1 500 . 1 1 41 41 VAL CG1 C 13 20.823 0.200 . 1 . . . . 39 VAL CG1 . 16145 1 501 . 1 1 41 41 VAL N N 15 124.047 0.200 . 1 . . . . 39 VAL N . 16145 1 502 . 1 1 42 42 ALA H H 1 9.299 0.005 . 1 . . . . 40 ALA H . 16145 1 503 . 1 1 42 42 ALA HA H 1 5.276 0.020 . 1 . . . . 40 ALA HA . 16145 1 504 . 1 1 42 42 ALA HB1 H 1 1.274 0.005 . 1 . . . . 40 ALA QB . 16145 1 505 . 1 1 42 42 ALA HB2 H 1 1.274 0.005 . 1 . . . . 40 ALA QB . 16145 1 506 . 1 1 42 42 ALA HB3 H 1 1.274 0.005 . 1 . . . . 40 ALA QB . 16145 1 507 . 1 1 42 42 ALA C C 13 175.955 0.007 . 1 . . . . 40 ALA C . 16145 1 508 . 1 1 42 42 ALA CA C 13 50.093 0.200 . 1 . . . . 40 ALA CA . 16145 1 509 . 1 1 42 42 ALA CB C 13 23.800 0.200 . 1 . . . . 40 ALA CB . 16145 1 510 . 1 1 42 42 ALA N N 15 126.567 0.200 . 1 . . . . 40 ALA N . 16145 1 511 . 1 1 43 43 ARG H H 1 8.398 0.003 . 1 . . . . 41 ARG H . 16145 1 512 . 1 1 43 43 ARG HA H 1 5.131 0.007 . 1 . . . . 41 ARG HA . 16145 1 513 . 1 1 43 43 ARG HB2 H 1 1.600 0.020 . 2 . . . . 41 ARG HB2 . 16145 1 514 . 1 1 43 43 ARG HB3 H 1 1.501 0.020 . 2 . . . . 41 ARG HB3 . 16145 1 515 . 1 1 43 43 ARG HD2 H 1 3.068 0.006 . 2 . . . . 41 ARG HD2 . 16145 1 516 . 1 1 43 43 ARG HD3 H 1 3.068 0.006 . 2 . . . . 41 ARG HD3 . 16145 1 517 . 1 1 43 43 ARG HG2 H 1 1.572 0.006 . 2 . . . . 41 ARG HG2 . 16145 1 518 . 1 1 43 43 ARG HG3 H 1 1.500 0.003 . 2 . . . . 41 ARG HG3 . 16145 1 519 . 1 1 43 43 ARG C C 13 176.184 0.007 . 1 . . . . 41 ARG C . 16145 1 520 . 1 1 43 43 ARG CA C 13 53.900 0.200 . 1 . . . . 41 ARG CA . 16145 1 521 . 1 1 43 43 ARG CB C 13 32.161 0.200 . 1 . . . . 41 ARG CB . 16145 1 522 . 1 1 43 43 ARG CD C 13 43.136 0.200 . 1 . . . . 41 ARG CD . 16145 1 523 . 1 1 43 43 ARG CG C 13 27.631 0.200 . 1 . . . . 41 ARG CG . 16145 1 524 . 1 1 43 43 ARG N N 15 118.991 0.200 . 1 . . . . 41 ARG N . 16145 1 525 . 1 1 44 44 LEU H H 1 8.988 0.007 . 1 . . . . 42 LEU H . 16145 1 526 . 1 1 44 44 LEU HA H 1 4.925 0.005 . 1 . . . . 42 LEU HA . 16145 1 527 . 1 1 44 44 LEU HB2 H 1 2.198 0.009 . 2 . . . . 42 LEU HB2 . 16145 1 528 . 1 1 44 44 LEU HB3 H 1 1.701 0.020 . 2 . . . . 42 LEU HB3 . 16145 1 529 . 1 1 44 44 LEU HD11 H 1 0.990 0.013 . 2 . . . . 42 LEU QD1 . 16145 1 530 . 1 1 44 44 LEU HD12 H 1 0.990 0.013 . 2 . . . . 42 LEU QD1 . 16145 1 531 . 1 1 44 44 LEU HD13 H 1 0.990 0.013 . 2 . . . . 42 LEU QD1 . 16145 1 532 . 1 1 44 44 LEU HD21 H 1 0.762 0.010 . 2 . . . . 42 LEU QD2 . 16145 1 533 . 1 1 44 44 LEU HD22 H 1 0.762 0.010 . 2 . . . . 42 LEU QD2 . 16145 1 534 . 1 1 44 44 LEU HD23 H 1 0.762 0.010 . 2 . . . . 42 LEU QD2 . 16145 1 535 . 1 1 44 44 LEU HG H 1 1.785 0.020 . 1 . . . . 42 LEU HG . 16145 1 536 . 1 1 44 44 LEU C C 13 178.369 0.003 . 1 . . . . 42 LEU C . 16145 1 537 . 1 1 44 44 LEU CA C 13 54.329 0.200 . 1 . . . . 42 LEU CA . 16145 1 538 . 1 1 44 44 LEU CB C 13 41.497 0.200 . 1 . . . . 42 LEU CB . 16145 1 539 . 1 1 44 44 LEU CD1 C 13 25.767 0.200 . 1 . . . . 42 LEU CD1 . 16145 1 540 . 1 1 44 44 LEU CD2 C 13 22.981 0.200 . 1 . . . . 42 LEU CD2 . 16145 1 541 . 1 1 44 44 LEU CG C 13 27.126 0.055 . 1 . . . . 42 LEU CG . 16145 1 542 . 1 1 44 44 LEU N N 15 125.637 0.200 . 1 . . . . 42 LEU N . 16145 1 543 . 1 1 45 45 LYS H H 1 8.470 0.004 . 1 . . . . 43 LYS H . 16145 1 544 . 1 1 45 45 LYS HA H 1 3.823 0.020 . 1 . . . . 43 LYS HA . 16145 1 545 . 1 1 45 45 LYS HB2 H 1 1.842 0.020 . 2 . . . . 43 LYS HB2 . 16145 1 546 . 1 1 45 45 LYS HB3 H 1 1.668 0.002 . 2 . . . . 43 LYS HB3 . 16145 1 547 . 1 1 45 45 LYS HD2 H 1 1.681 0.007 . 2 . . . . 43 LYS HD2 . 16145 1 548 . 1 1 45 45 LYS HD3 H 1 1.681 0.007 . 2 . . . . 43 LYS HD3 . 16145 1 549 . 1 1 45 45 LYS HE2 H 1 2.865 0.020 . 2 . . . . 43 LYS HE2 . 16145 1 550 . 1 1 45 45 LYS HE3 H 1 2.845 0.001 . 2 . . . . 43 LYS HE3 . 16145 1 551 . 1 1 45 45 LYS HG2 H 1 1.248 0.020 . 2 . . . . 43 LYS HG2 . 16145 1 552 . 1 1 45 45 LYS HG3 H 1 1.158 0.020 . 2 . . . . 43 LYS HG3 . 16145 1 553 . 1 1 45 45 LYS CA C 13 59.340 0.200 . 1 . . . . 43 LYS CA . 16145 1 554 . 1 1 45 45 LYS CB C 13 33.445 0.200 . 1 . . . . 43 LYS CB . 16145 1 555 . 1 1 45 45 LYS CD C 13 29.883 0.200 . 1 . . . . 43 LYS CD . 16145 1 556 . 1 1 45 45 LYS CE C 13 42.327 0.200 . 1 . . . . 43 LYS CE . 16145 1 557 . 1 1 45 45 LYS CG C 13 26.660 0.200 . 1 . . . . 43 LYS CG . 16145 1 558 . 1 1 45 45 LYS N N 15 120.489 0.200 . 1 . . . . 43 LYS N . 16145 1 559 . 1 1 46 46 ASN HA H 1 4.421 0.020 . 1 . . . . 44 ASN HA . 16145 1 560 . 1 1 46 46 ASN HB2 H 1 2.917 0.020 . 2 . . . . 44 ASN HB2 . 16145 1 561 . 1 1 46 46 ASN HB3 H 1 2.812 0.020 . 2 . . . . 44 ASN HB3 . 16145 1 562 . 1 1 46 46 ASN HD21 H 1 7.623 0.020 . 2 . . . . 44 ASN HD21 . 16145 1 563 . 1 1 46 46 ASN HD22 H 1 6.789 0.001 . 2 . . . . 44 ASN HD22 . 16145 1 564 . 1 1 46 46 ASN C C 13 175.970 0.200 . 1 . . . . 44 ASN C . 16145 1 565 . 1 1 46 46 ASN CA C 13 55.457 0.200 . 1 . . . . 44 ASN CA . 16145 1 566 . 1 1 46 46 ASN CB C 13 37.507 0.001 . 1 . . . . 44 ASN CB . 16145 1 567 . 1 1 46 46 ASN ND2 N 15 112.400 0.200 . 1 . . . . 44 ASN ND2 . 16145 1 568 . 1 1 47 47 ASN H H 1 7.483 0.020 . 1 . . . . 45 ASN H . 16145 1 569 . 1 1 47 47 ASN HA H 1 4.706 0.020 . 1 . . . . 45 ASN HA . 16145 1 570 . 1 1 47 47 ASN HB2 H 1 3.007 0.009 . 2 . . . . 45 ASN HB2 . 16145 1 571 . 1 1 47 47 ASN HB3 H 1 2.709 0.002 . 2 . . . . 45 ASN HB3 . 16145 1 572 . 1 1 47 47 ASN HD21 H 1 7.467 0.002 . 2 . . . . 45 ASN HD21 . 16145 1 573 . 1 1 47 47 ASN HD22 H 1 6.509 0.002 . 2 . . . . 45 ASN HD22 . 16145 1 574 . 1 1 47 47 ASN C C 13 175.461 0.200 . 1 . . . . 45 ASN C . 16145 1 575 . 1 1 47 47 ASN CA C 13 52.769 0.200 . 1 . . . . 45 ASN CA . 16145 1 576 . 1 1 47 47 ASN CB C 13 39.194 0.078 . 1 . . . . 45 ASN CB . 16145 1 577 . 1 1 47 47 ASN N N 15 115.277 0.200 . 1 . . . . 45 ASN N . 16145 1 578 . 1 1 47 47 ASN ND2 N 15 109.712 0.001 . 1 . . . . 45 ASN ND2 . 16145 1 579 . 1 1 48 48 ASN H H 1 7.995 0.020 . 1 . . . . 46 ASN H . 16145 1 580 . 1 1 48 48 ASN HA H 1 4.661 0.020 . 1 . . . . 46 ASN HA . 16145 1 581 . 1 1 48 48 ASN HB2 H 1 3.100 0.009 . 2 . . . . 46 ASN HB2 . 16145 1 582 . 1 1 48 48 ASN HB3 H 1 2.678 0.006 . 2 . . . . 46 ASN HB3 . 16145 1 583 . 1 1 48 48 ASN HD21 H 1 7.593 0.006 . 2 . . . . 46 ASN HD21 . 16145 1 584 . 1 1 48 48 ASN HD22 H 1 6.881 0.020 . 2 . . . . 46 ASN HD22 . 16145 1 585 . 1 1 48 48 ASN C C 13 174.812 0.010 . 1 . . . . 46 ASN C . 16145 1 586 . 1 1 48 48 ASN CA C 13 54.298 0.200 . 1 . . . . 46 ASN CA . 16145 1 587 . 1 1 48 48 ASN CB C 13 39.103 0.012 . 1 . . . . 46 ASN CB . 16145 1 588 . 1 1 48 48 ASN N N 15 116.416 0.200 . 1 . . . . 46 ASN N . 16145 1 589 . 1 1 48 48 ASN ND2 N 15 113.088 0.200 . 1 . . . . 46 ASN ND2 . 16145 1 590 . 1 1 49 49 ARG H H 1 7.940 0.020 . 1 . . . . 47 ARG H . 16145 1 591 . 1 1 49 49 ARG HA H 1 4.205 0.006 . 1 . . . . 47 ARG HA . 16145 1 592 . 1 1 49 49 ARG HB2 H 1 1.724 0.020 . 2 . . . . 47 ARG HB2 . 16145 1 593 . 1 1 49 49 ARG HB3 H 1 1.679 0.020 . 2 . . . . 47 ARG HB3 . 16145 1 594 . 1 1 49 49 ARG HD2 H 1 3.188 0.020 . 2 . . . . 47 ARG HD2 . 16145 1 595 . 1 1 49 49 ARG HD3 H 1 3.109 0.002 . 2 . . . . 47 ARG HD3 . 16145 1 596 . 1 1 49 49 ARG HG2 H 1 1.559 0.010 . 2 . . . . 47 ARG HG2 . 16145 1 597 . 1 1 49 49 ARG HG3 H 1 1.559 0.010 . 2 . . . . 47 ARG HG3 . 16145 1 598 . 1 1 49 49 ARG C C 13 175.719 0.200 . 1 . . . . 47 ARG C . 16145 1 599 . 1 1 49 49 ARG CA C 13 57.084 0.200 . 1 . . . . 47 ARG CA . 16145 1 600 . 1 1 49 49 ARG CB C 13 31.792 0.045 . 1 . . . . 47 ARG CB . 16145 1 601 . 1 1 49 49 ARG CD C 13 43.818 0.002 . 1 . . . . 47 ARG CD . 16145 1 602 . 1 1 49 49 ARG CG C 13 27.766 0.200 . 1 . . . . 47 ARG CG . 16145 1 603 . 1 1 49 49 ARG N N 15 120.017 0.200 . 1 . . . . 47 ARG N . 16145 1 604 . 1 1 50 50 GLN H H 1 8.641 0.001 . 1 . . . . 48 GLN H . 16145 1 605 . 1 1 50 50 GLN HA H 1 5.240 0.005 . 1 . . . . 48 GLN HA . 16145 1 606 . 1 1 50 50 GLN HB2 H 1 1.958 0.005 . 2 . . . . 48 GLN HB2 . 16145 1 607 . 1 1 50 50 GLN HB3 H 1 1.868 0.020 . 2 . . . . 48 GLN HB3 . 16145 1 608 . 1 1 50 50 GLN HE21 H 1 7.512 0.001 . 2 . . . . 48 GLN HE21 . 16145 1 609 . 1 1 50 50 GLN HE22 H 1 6.849 0.002 . 2 . . . . 48 GLN HE22 . 16145 1 610 . 1 1 50 50 GLN HG2 H 1 2.197 0.003 . 2 . . . . 48 GLN HG2 . 16145 1 611 . 1 1 50 50 GLN HG3 H 1 2.101 0.003 . 2 . . . . 48 GLN HG3 . 16145 1 612 . 1 1 50 50 GLN C C 13 175.697 0.007 . 1 . . . . 48 GLN C . 16145 1 613 . 1 1 50 50 GLN CA C 13 55.454 0.200 . 1 . . . . 48 GLN CA . 16145 1 614 . 1 1 50 50 GLN CB C 13 30.959 0.043 . 1 . . . . 48 GLN CB . 16145 1 615 . 1 1 50 50 GLN CG C 13 35.396 0.200 . 1 . . . . 48 GLN CG . 16145 1 616 . 1 1 50 50 GLN N N 15 123.029 0.200 . 1 . . . . 48 GLN N . 16145 1 617 . 1 1 50 50 GLN NE2 N 15 111.657 0.200 . 1 . . . . 48 GLN NE2 . 16145 1 618 . 1 1 51 51 VAL H H 1 9.018 0.005 . 1 . . . . 49 VAL H . 16145 1 619 . 1 1 51 51 VAL HA H 1 4.745 0.020 . 1 . . . . 49 VAL HA . 16145 1 620 . 1 1 51 51 VAL HB H 1 2.159 0.001 . 1 . . . . 49 VAL HB . 16145 1 621 . 1 1 51 51 VAL HG11 H 1 0.872 0.005 . 2 . . . . 49 VAL QG1 . 16145 1 622 . 1 1 51 51 VAL HG12 H 1 0.872 0.005 . 2 . . . . 49 VAL QG1 . 16145 1 623 . 1 1 51 51 VAL HG13 H 1 0.872 0.005 . 2 . . . . 49 VAL QG1 . 16145 1 624 . 1 1 51 51 VAL HG21 H 1 0.778 0.005 . 2 . . . . 49 VAL QG2 . 16145 1 625 . 1 1 51 51 VAL HG22 H 1 0.778 0.005 . 2 . . . . 49 VAL QG2 . 16145 1 626 . 1 1 51 51 VAL HG23 H 1 0.778 0.005 . 2 . . . . 49 VAL QG2 . 16145 1 627 . 1 1 51 51 VAL C C 13 174.561 0.002 . 1 . . . . 49 VAL C . 16145 1 628 . 1 1 51 51 VAL CA C 13 59.266 0.200 . 1 . . . . 49 VAL CA . 16145 1 629 . 1 1 51 51 VAL CB C 13 35.845 0.200 . 1 . . . . 49 VAL CB . 16145 1 630 . 1 1 51 51 VAL CG1 C 13 21.823 0.200 . 1 . . . . 49 VAL CG1 . 16145 1 631 . 1 1 51 51 VAL CG2 C 13 18.900 0.200 . 1 . . . . 49 VAL CG2 . 16145 1 632 . 1 1 51 51 VAL N N 15 119.358 0.200 . 1 . . . . 49 VAL N . 16145 1 633 . 1 1 52 52 CYS H H 1 8.895 0.020 . 1 . . . . 50 CYS H . 16145 1 634 . 1 1 52 52 CYS HA H 1 5.636 0.009 . 1 . . . . 50 CYS HA . 16145 1 635 . 1 1 52 52 CYS HB2 H 1 3.691 0.011 . 2 . . . . 50 CYS HB2 . 16145 1 636 . 1 1 52 52 CYS HB3 H 1 3.030 0.006 . 2 . . . . 50 CYS HB3 . 16145 1 637 . 1 1 52 52 CYS C C 13 174.469 0.005 . 1 . . . . 50 CYS C . 16145 1 638 . 1 1 52 52 CYS CA C 13 56.377 0.200 . 1 . . . . 50 CYS CA . 16145 1 639 . 1 1 52 52 CYS CB C 13 44.680 0.003 . 1 . . . . 50 CYS CB . 16145 1 640 . 1 1 52 52 CYS N N 15 120.834 0.200 . 1 . . . . 50 CYS N . 16145 1 641 . 1 1 53 53 ILE H H 1 8.615 0.006 . 1 . . . . 51 ILE H . 16145 1 642 . 1 1 53 53 ILE HA H 1 4.512 0.020 . 1 . . . . 51 ILE HA . 16145 1 643 . 1 1 53 53 ILE HB H 1 1.468 0.003 . 1 . . . . 51 ILE HB . 16145 1 644 . 1 1 53 53 ILE HD11 H 1 0.642 0.010 . 1 . . . . 51 ILE QD1 . 16145 1 645 . 1 1 53 53 ILE HD12 H 1 0.642 0.010 . 1 . . . . 51 ILE QD1 . 16145 1 646 . 1 1 53 53 ILE HD13 H 1 0.642 0.010 . 1 . . . . 51 ILE QD1 . 16145 1 647 . 1 1 53 53 ILE HG12 H 1 1.251 0.003 . 2 . . . . 51 ILE HG12 . 16145 1 648 . 1 1 53 53 ILE HG13 H 1 1.037 0.020 . 2 . . . . 51 ILE HG13 . 16145 1 649 . 1 1 53 53 ILE HG21 H 1 0.663 0.010 . 1 . . . . 51 ILE QG2 . 16145 1 650 . 1 1 53 53 ILE HG22 H 1 0.663 0.010 . 1 . . . . 51 ILE QG2 . 16145 1 651 . 1 1 53 53 ILE HG23 H 1 0.663 0.010 . 1 . . . . 51 ILE QG2 . 16145 1 652 . 1 1 53 53 ILE C C 13 174.137 0.036 . 1 . . . . 51 ILE C . 16145 1 653 . 1 1 53 53 ILE CA C 13 59.397 0.200 . 1 . . . . 51 ILE CA . 16145 1 654 . 1 1 53 53 ILE CB C 13 39.603 0.200 . 1 . . . . 51 ILE CB . 16145 1 655 . 1 1 53 53 ILE CD1 C 13 13.170 0.200 . 1 . . . . 51 ILE CD1 . 16145 1 656 . 1 1 53 53 ILE CG1 C 13 27.463 0.012 . 1 . . . . 51 ILE CG1 . 16145 1 657 . 1 1 53 53 ILE CG2 C 13 18.314 0.200 . 1 . . . . 51 ILE CG2 . 16145 1 658 . 1 1 53 53 ILE N N 15 122.392 0.200 . 1 . . . . 51 ILE N . 16145 1 659 . 1 1 54 54 ASP H H 1 7.766 0.004 . 1 . . . . 52 ASP H . 16145 1 660 . 1 1 54 54 ASP HA H 1 3.572 0.020 . 1 . . . . 52 ASP HA . 16145 1 661 . 1 1 54 54 ASP HB2 H 1 2.629 0.020 . 2 . . . . 52 ASP HB2 . 16145 1 662 . 1 1 54 54 ASP HB3 H 1 2.228 0.006 . 2 . . . . 52 ASP HB3 . 16145 1 663 . 1 1 54 54 ASP CA C 13 51.578 0.200 . 1 . . . . 52 ASP CA . 16145 1 664 . 1 1 54 54 ASP CB C 13 42.381 0.021 . 1 . . . . 52 ASP CB . 16145 1 665 . 1 1 54 54 ASP N N 15 126.398 0.200 . 1 . . . . 52 ASP N . 16145 1 666 . 1 1 55 55 PRO HA H 1 4.011 0.005 . 1 . . . . 53 PRO HA . 16145 1 667 . 1 1 55 55 PRO HB2 H 1 1.923 0.020 . 2 . . . . 53 PRO HB2 . 16145 1 668 . 1 1 55 55 PRO HB3 H 1 1.779 0.003 . 2 . . . . 53 PRO HB3 . 16145 1 669 . 1 1 55 55 PRO HD2 H 1 3.584 0.020 . 2 . . . . 53 PRO HD2 . 16145 1 670 . 1 1 55 55 PRO HD3 H 1 3.296 0.020 . 2 . . . . 53 PRO HD3 . 16145 1 671 . 1 1 55 55 PRO HG2 H 1 1.789 0.004 . 2 . . . . 53 PRO HG2 . 16145 1 672 . 1 1 55 55 PRO HG3 H 1 1.742 0.020 . 2 . . . . 53 PRO HG3 . 16145 1 673 . 1 1 55 55 PRO C C 13 176.274 0.200 . 1 . . . . 53 PRO C . 16145 1 674 . 1 1 55 55 PRO CA C 13 63.546 0.200 . 1 . . . . 53 PRO CA . 16145 1 675 . 1 1 55 55 PRO CB C 13 32.270 0.027 . 1 . . . . 53 PRO CB . 16145 1 676 . 1 1 55 55 PRO CD C 13 50.927 0.200 . 1 . . . . 53 PRO CD . 16145 1 677 . 1 1 55 55 PRO CG C 13 27.307 0.200 . 1 . . . . 53 PRO CG . 16145 1 678 . 1 1 56 56 LYS H H 1 8.053 0.004 . 1 . . . . 54 LYS H . 16145 1 679 . 1 1 56 56 LYS HA H 1 3.982 0.020 . 1 . . . . 54 LYS HA . 16145 1 680 . 1 1 56 56 LYS HB2 H 1 1.701 0.020 . 2 . . . . 54 LYS HB2 . 16145 1 681 . 1 1 56 56 LYS HB3 H 1 1.701 0.020 . 2 . . . . 54 LYS HB3 . 16145 1 682 . 1 1 56 56 LYS HD2 H 1 1.618 0.004 . 2 . . . . 54 LYS HD2 . 16145 1 683 . 1 1 56 56 LYS HD3 H 1 1.618 0.004 . 2 . . . . 54 LYS HD3 . 16145 1 684 . 1 1 56 56 LYS HE2 H 1 2.954 0.020 . 2 . . . . 54 LYS HE2 . 16145 1 685 . 1 1 56 56 LYS HE3 H 1 2.954 0.020 . 2 . . . . 54 LYS HE3 . 16145 1 686 . 1 1 56 56 LYS HG2 H 1 1.281 0.020 . 2 . . . . 54 LYS HG2 . 16145 1 687 . 1 1 56 56 LYS HG3 H 1 1.281 0.020 . 2 . . . . 54 LYS HG3 . 16145 1 688 . 1 1 56 56 LYS C C 13 177.867 0.002 . 1 . . . . 54 LYS C . 16145 1 689 . 1 1 56 56 LYS CA C 13 56.189 0.200 . 1 . . . . 54 LYS CA . 16145 1 690 . 1 1 56 56 LYS CB C 13 31.649 0.200 . 1 . . . . 54 LYS CB . 16145 1 691 . 1 1 56 56 LYS CD C 13 28.756 0.200 . 1 . . . . 54 LYS CD . 16145 1 692 . 1 1 56 56 LYS CE C 13 41.473 0.200 . 1 . . . . 54 LYS CE . 16145 1 693 . 1 1 56 56 LYS CG C 13 24.854 0.200 . 1 . . . . 54 LYS CG . 16145 1 694 . 1 1 56 56 LYS N N 15 115.161 0.200 . 1 . . . . 54 LYS N . 16145 1 695 . 1 1 57 57 LEU H H 1 7.145 0.003 . 1 . . . . 55 LEU H . 16145 1 696 . 1 1 57 57 LEU HA H 1 4.027 0.002 . 1 . . . . 55 LEU HA . 16145 1 697 . 1 1 57 57 LEU HB2 H 1 1.216 0.007 . 2 . . . . 55 LEU HB2 . 16145 1 698 . 1 1 57 57 LEU HB3 H 1 0.988 0.007 . 2 . . . . 55 LEU HB3 . 16145 1 699 . 1 1 57 57 LEU HD11 H 1 1.007 0.020 . 2 . . . . 55 LEU QD1 . 16145 1 700 . 1 1 57 57 LEU HD12 H 1 1.007 0.020 . 2 . . . . 55 LEU QD1 . 16145 1 701 . 1 1 57 57 LEU HD13 H 1 1.007 0.020 . 2 . . . . 55 LEU QD1 . 16145 1 702 . 1 1 57 57 LEU HD21 H 1 0.989 0.005 . 2 . . . . 55 LEU QD2 . 16145 1 703 . 1 1 57 57 LEU HD22 H 1 0.989 0.005 . 2 . . . . 55 LEU QD2 . 16145 1 704 . 1 1 57 57 LEU HD23 H 1 0.989 0.005 . 2 . . . . 55 LEU QD2 . 16145 1 705 . 1 1 57 57 LEU HG H 1 1.740 0.020 . 1 . . . . 55 LEU HG . 16145 1 706 . 1 1 57 57 LEU C C 13 179.221 0.010 . 1 . . . . 55 LEU C . 16145 1 707 . 1 1 57 57 LEU CA C 13 14.371 0.200 . 1 . . . . 55 LEU CA . 16145 1 708 . 1 1 57 57 LEU CB C 13 41.739 0.200 . 1 . . . . 55 LEU CB . 16145 1 709 . 1 1 57 57 LEU CD1 C 13 25.690 0.200 . 1 . . . . 55 LEU CD1 . 16145 1 710 . 1 1 57 57 LEU CD2 C 13 23.386 0.200 . 1 . . . . 55 LEU CD2 . 16145 1 711 . 1 1 57 57 LEU CG C 13 27.119 0.200 . 1 . . . . 55 LEU CG . 16145 1 712 . 1 1 57 57 LEU N N 15 120.921 0.200 . 1 . . . . 55 LEU N . 16145 1 713 . 1 1 58 58 LYS H H 1 8.798 0.020 . 1 . . . . 56 LYS H . 16145 1 714 . 1 1 58 58 LYS HA H 1 3.937 0.020 . 1 . . . . 56 LYS HA . 16145 1 715 . 1 1 58 58 LYS HB2 H 1 1.975 0.020 . 2 . . . . 56 LYS HB2 . 16145 1 716 . 1 1 58 58 LYS HB3 H 1 1.975 0.020 . 2 . . . . 56 LYS HB3 . 16145 1 717 . 1 1 58 58 LYS HD2 H 1 1.727 0.020 . 2 . . . . 56 LYS HD2 . 16145 1 718 . 1 1 58 58 LYS HD3 H 1 1.727 0.020 . 2 . . . . 56 LYS HD3 . 16145 1 719 . 1 1 58 58 LYS HE2 H 1 3.025 0.002 . 2 . . . . 56 LYS HE2 . 16145 1 720 . 1 1 58 58 LYS HE3 H 1 3.025 0.002 . 2 . . . . 56 LYS HE3 . 16145 1 721 . 1 1 58 58 LYS HG2 H 1 1.552 0.004 . 2 . . . . 56 LYS HG2 . 16145 1 722 . 1 1 58 58 LYS HG3 H 1 1.492 0.002 . 2 . . . . 56 LYS HG3 . 16145 1 723 . 1 1 58 58 LYS C C 13 179.161 0.007 . 1 . . . . 56 LYS C . 16145 1 724 . 1 1 58 58 LYS CA C 13 60.116 0.200 . 1 . . . . 56 LYS CA . 16145 1 725 . 1 1 58 58 LYS CB C 13 32.100 0.200 . 1 . . . . 56 LYS CB . 16145 1 726 . 1 1 58 58 LYS CD C 13 29.092 0.200 . 1 . . . . 56 LYS CD . 16145 1 727 . 1 1 58 58 LYS CE C 13 42.327 0.200 . 1 . . . . 56 LYS CE . 16145 1 728 . 1 1 58 58 LYS CG C 13 25.042 0.200 . 1 . . . . 56 LYS CG . 16145 1 729 . 1 1 58 58 LYS N N 15 125.449 0.200 . 1 . . . . 56 LYS N . 16145 1 730 . 1 1 59 59 TRP H H 1 7.821 0.004 . 1 . . . . 57 TRP H . 16145 1 731 . 1 1 59 59 TRP HA H 1 4.636 0.005 . 1 . . . . 57 TRP HA . 16145 1 732 . 1 1 59 59 TRP HB2 H 1 3.610 0.020 . 2 . . . . 57 TRP HB2 . 16145 1 733 . 1 1 59 59 TRP HB3 H 1 3.253 0.006 . 2 . . . . 57 TRP HB3 . 16145 1 734 . 1 1 59 59 TRP HD1 H 1 7.652 0.020 . 1 . . . . 57 TRP HD1 . 16145 1 735 . 1 1 59 59 TRP HE1 H 1 10.294 0.003 . 1 . . . . 57 TRP HE1 . 16145 1 736 . 1 1 59 59 TRP HE3 H 1 6.572 0.020 . 1 . . . . 57 TRP HE3 . 16145 1 737 . 1 1 59 59 TRP HH2 H 1 6.633 0.010 . 1 . . . . 57 TRP HH2 . 16145 1 738 . 1 1 59 59 TRP HZ2 H 1 6.965 0.007 . 1 . . . . 57 TRP HZ2 . 16145 1 739 . 1 1 59 59 TRP HZ3 H 1 7.353 0.004 . 1 . . . . 57 TRP HZ3 . 16145 1 740 . 1 1 59 59 TRP C C 13 178.642 0.004 . 1 . . . . 57 TRP C . 16145 1 741 . 1 1 59 59 TRP CA C 13 58.388 0.200 . 1 . . . . 57 TRP CA . 16145 1 742 . 1 1 59 59 TRP CB C 13 27.954 0.200 . 1 . . . . 57 TRP CB . 16145 1 743 . 1 1 59 59 TRP CD1 C 13 128.405 0.200 . 1 . . . . 57 TRP CD1 . 16145 1 744 . 1 1 59 59 TRP CE3 C 13 121.713 0.200 . 1 . . . . 57 TRP CE3 . 16145 1 745 . 1 1 59 59 TRP CH2 C 13 123.812 0.200 . 1 . . . . 57 TRP CH2 . 16145 1 746 . 1 1 59 59 TRP CZ2 C 13 113.720 0.200 . 1 . . . . 57 TRP CZ2 . 16145 1 747 . 1 1 59 59 TRP CZ3 C 13 121.013 0.200 . 1 . . . . 57 TRP CZ3 . 16145 1 748 . 1 1 59 59 TRP N N 15 113.650 0.200 . 1 . . . . 57 TRP N . 16145 1 749 . 1 1 59 59 TRP NE1 N 15 130.632 0.200 . 1 . . . . 57 TRP NE1 . 16145 1 750 . 1 1 60 60 ILE H H 1 6.340 0.002 . 1 . . . . 58 ILE H . 16145 1 751 . 1 1 60 60 ILE HA H 1 3.620 0.005 . 1 . . . . 58 ILE HA . 16145 1 752 . 1 1 60 60 ILE HB H 1 1.386 0.001 . 1 . . . . 58 ILE HB . 16145 1 753 . 1 1 60 60 ILE HD11 H 1 0.073 0.007 . 1 . . . . 58 ILE QD1 . 16145 1 754 . 1 1 60 60 ILE HD12 H 1 0.073 0.007 . 1 . . . . 58 ILE QD1 . 16145 1 755 . 1 1 60 60 ILE HD13 H 1 0.073 0.007 . 1 . . . . 58 ILE QD1 . 16145 1 756 . 1 1 60 60 ILE HG12 H 1 0.599 0.002 . 2 . . . . 58 ILE HG12 . 16145 1 757 . 1 1 60 60 ILE HG13 H 1 -0.058 0.006 . 2 . . . . 58 ILE HG13 . 16145 1 758 . 1 1 60 60 ILE HG21 H 1 0.561 0.011 . 1 . . . . 58 ILE QG2 . 16145 1 759 . 1 1 60 60 ILE HG22 H 1 0.561 0.011 . 1 . . . . 58 ILE QG2 . 16145 1 760 . 1 1 60 60 ILE HG23 H 1 0.561 0.011 . 1 . . . . 58 ILE QG2 . 16145 1 761 . 1 1 60 60 ILE C C 13 177.104 0.002 . 1 . . . . 58 ILE C . 16145 1 762 . 1 1 60 60 ILE CA C 13 61.605 0.200 . 1 . . . . 58 ILE CA . 16145 1 763 . 1 1 60 60 ILE CB C 13 36.043 0.200 . 1 . . . . 58 ILE CB . 16145 1 764 . 1 1 60 60 ILE CD1 C 13 11.981 0.200 . 1 . . . . 58 ILE CD1 . 16145 1 765 . 1 1 60 60 ILE CG1 C 13 27.307 0.200 . 1 . . . . 58 ILE CG1 . 16145 1 766 . 1 1 60 60 ILE CG2 C 13 17.793 0.200 . 1 . . . . 58 ILE CG2 . 16145 1 767 . 1 1 60 60 ILE N N 15 123.265 0.200 . 1 . . . . 58 ILE N . 16145 1 768 . 1 1 61 61 GLN H H 1 7.710 0.007 . 1 . . . . 59 GLN H . 16145 1 769 . 1 1 61 61 GLN HA H 1 3.824 0.004 . 1 . . . . 59 GLN HA . 16145 1 770 . 1 1 61 61 GLN HB2 H 1 2.152 0.015 . 2 . . . . 59 GLN HB2 . 16145 1 771 . 1 1 61 61 GLN HB3 H 1 2.152 0.015 . 2 . . . . 59 GLN HB3 . 16145 1 772 . 1 1 61 61 GLN HE21 H 1 7.573 0.001 . 2 . . . . 59 GLN HE21 . 16145 1 773 . 1 1 61 61 GLN HE22 H 1 6.768 0.001 . 2 . . . . 59 GLN HE22 . 16145 1 774 . 1 1 61 61 GLN HG2 H 1 2.373 0.020 . 2 . . . . 59 GLN HG2 . 16145 1 775 . 1 1 61 61 GLN HG3 H 1 2.341 0.003 . 2 . . . . 59 GLN HG3 . 16145 1 776 . 1 1 61 61 GLN C C 13 178.933 0.009 . 1 . . . . 59 GLN C . 16145 1 777 . 1 1 61 61 GLN CA C 13 59.663 0.200 . 1 . . . . 59 GLN CA . 16145 1 778 . 1 1 61 61 GLN CB C 13 27.972 0.200 . 1 . . . . 59 GLN CB . 16145 1 779 . 1 1 61 61 GLN CG C 13 34.102 0.200 . 1 . . . . 59 GLN CG . 16145 1 780 . 1 1 61 61 GLN N N 15 120.515 0.200 . 1 . . . . 59 GLN N . 16145 1 781 . 1 1 61 61 GLN NE2 N 15 113.241 0.200 . 1 . . . . 59 GLN NE2 . 16145 1 782 . 1 1 62 62 GLU H H 1 8.042 0.004 . 1 . . . . 60 GLU H . 16145 1 783 . 1 1 62 62 GLU HA H 1 4.093 0.001 . 1 . . . . 60 GLU HA . 16145 1 784 . 1 1 62 62 GLU HB2 H 1 2.187 0.016 . 2 . . . . 60 GLU HB2 . 16145 1 785 . 1 1 62 62 GLU HB3 H 1 2.067 0.020 . 2 . . . . 60 GLU HB3 . 16145 1 786 . 1 1 62 62 GLU HG2 H 1 2.393 0.020 . 2 . . . . 60 GLU HG2 . 16145 1 787 . 1 1 62 62 GLU HG3 H 1 2.218 0.003 . 2 . . . . 60 GLU HG3 . 16145 1 788 . 1 1 62 62 GLU C C 13 178.539 0.015 . 1 . . . . 60 GLU C . 16145 1 789 . 1 1 62 62 GLU CA C 13 59.152 0.200 . 1 . . . . 60 GLU CA . 16145 1 790 . 1 1 62 62 GLU CB C 13 29.896 0.200 . 1 . . . . 60 GLU CB . 16145 1 791 . 1 1 62 62 GLU CG C 13 36.691 0.200 . 1 . . . . 60 GLU CG . 16145 1 792 . 1 1 62 62 GLU N N 15 117.976 0.200 . 1 . . . . 60 GLU N . 16145 1 793 . 1 1 63 63 TYR H H 1 7.882 0.002 . 1 . . . . 61 TYR H . 16145 1 794 . 1 1 63 63 TYR HA H 1 4.214 0.002 . 1 . . . . 61 TYR HA . 16145 1 795 . 1 1 63 63 TYR HB2 H 1 3.276 0.007 . 2 . . . . 61 TYR HB2 . 16145 1 796 . 1 1 63 63 TYR HB3 H 1 3.276 0.007 . 2 . . . . 61 TYR HB3 . 16145 1 797 . 1 1 63 63 TYR HD1 H 1 7.076 0.020 . 1 . . . . 61 TYR HD1 . 16145 1 798 . 1 1 63 63 TYR HD2 H 1 7.076 0.020 . 1 . . . . 61 TYR HD2 . 16145 1 799 . 1 1 63 63 TYR HE1 H 1 6.764 0.005 . 1 . . . . 61 TYR HE1 . 16145 1 800 . 1 1 63 63 TYR HE2 H 1 6.764 0.005 . 1 . . . . 61 TYR HE2 . 16145 1 801 . 1 1 63 63 TYR C C 13 178.157 0.200 . 1 . . . . 61 TYR C . 16145 1 802 . 1 1 63 63 TYR CA C 13 61.281 0.200 . 1 . . . . 61 TYR CA . 16145 1 803 . 1 1 63 63 TYR CB C 13 38.956 0.200 . 1 . . . . 61 TYR CB . 16145 1 804 . 1 1 63 63 TYR CD1 C 13 132.955 0.200 . 1 . . . . 61 TYR CD1 . 16145 1 805 . 1 1 63 63 TYR CE1 C 13 118.329 0.200 . 1 . . . . 61 TYR CE1 . 16145 1 806 . 1 1 63 63 TYR N N 15 120.743 0.200 . 1 . . . . 61 TYR N . 16145 1 807 . 1 1 64 64 LEU H H 1 8.438 0.004 . 1 . . . . 62 LEU H . 16145 1 808 . 1 1 64 64 LEU HA H 1 3.886 0.004 . 1 . . . . 62 LEU HA . 16145 1 809 . 1 1 64 64 LEU HB2 H 1 1.871 0.020 . 2 . . . . 62 LEU HB2 . 16145 1 810 . 1 1 64 64 LEU HB3 H 1 1.451 0.001 . 2 . . . . 62 LEU HB3 . 16145 1 811 . 1 1 64 64 LEU HD11 H 1 0.798 0.020 . 2 . . . . 62 LEU QD1 . 16145 1 812 . 1 1 64 64 LEU HD12 H 1 0.798 0.020 . 2 . . . . 62 LEU QD1 . 16145 1 813 . 1 1 64 64 LEU HD13 H 1 0.798 0.020 . 2 . . . . 62 LEU QD1 . 16145 1 814 . 1 1 64 64 LEU HD21 H 1 0.799 0.001 . 2 . . . . 62 LEU QD2 . 16145 1 815 . 1 1 64 64 LEU HD22 H 1 0.799 0.001 . 2 . . . . 62 LEU QD2 . 16145 1 816 . 1 1 64 64 LEU HD23 H 1 0.799 0.001 . 2 . . . . 62 LEU QD2 . 16145 1 817 . 1 1 64 64 LEU HG H 1 1.874 0.020 . 1 . . . . 62 LEU HG . 16145 1 818 . 1 1 64 64 LEU C C 13 178.678 0.003 . 1 . . . . 62 LEU C . 16145 1 819 . 1 1 64 64 LEU CA C 13 57.619 0.200 . 1 . . . . 62 LEU CA . 16145 1 820 . 1 1 64 64 LEU CB C 13 41.868 0.200 . 1 . . . . 62 LEU CB . 16145 1 821 . 1 1 64 64 LEU CD1 C 13 25.887 0.200 . 1 . . . . 62 LEU CD1 . 16145 1 822 . 1 1 64 64 LEU CD2 C 13 23.237 0.200 . 1 . . . . 62 LEU CD2 . 16145 1 823 . 1 1 64 64 LEU CG C 13 26.984 0.200 . 1 . . . . 62 LEU CG . 16145 1 824 . 1 1 64 64 LEU N N 15 119.052 0.200 . 1 . . . . 62 LEU N . 16145 1 825 . 1 1 65 65 GLU H H 1 7.884 0.001 . 1 . . . . 63 GLU H . 16145 1 826 . 1 1 65 65 GLU HA H 1 3.998 0.004 . 1 . . . . 63 GLU HA . 16145 1 827 . 1 1 65 65 GLU HB2 H 1 2.121 0.020 . 2 . . . . 63 GLU HB2 . 16145 1 828 . 1 1 65 65 GLU HB3 H 1 2.080 0.020 . 2 . . . . 63 GLU HB3 . 16145 1 829 . 1 1 65 65 GLU HG2 H 1 2.400 0.007 . 2 . . . . 63 GLU HG2 . 16145 1 830 . 1 1 65 65 GLU HG3 H 1 2.250 0.020 . 2 . . . . 63 GLU HG3 . 16145 1 831 . 1 1 65 65 GLU C C 13 178.447 0.009 . 1 . . . . 63 GLU C . 16145 1 832 . 1 1 65 65 GLU CA C 13 59.143 0.200 . 1 . . . . 63 GLU CA . 16145 1 833 . 1 1 65 65 GLU CB C 13 29.708 0.200 . 1 . . . . 63 GLU CB . 16145 1 834 . 1 1 65 65 GLU CG C 13 36.534 0.070 . 1 . . . . 63 GLU CG . 16145 1 835 . 1 1 65 65 GLU N N 15 118.310 0.200 . 1 . . . . 63 GLU N . 16145 1 836 . 1 1 66 66 LYS H H 1 7.576 0.003 . 1 . . . . 64 LYS H . 16145 1 837 . 1 1 66 66 LYS HA H 1 4.208 0.003 . 1 . . . . 64 LYS HA . 16145 1 838 . 1 1 66 66 LYS HB2 H 1 1.827 0.016 . 2 . . . . 64 LYS HB2 . 16145 1 839 . 1 1 66 66 LYS HB3 H 1 1.827 0.016 . 2 . . . . 64 LYS HB3 . 16145 1 840 . 1 1 66 66 LYS HD2 H 1 1.641 0.020 . 2 . . . . 64 LYS HD2 . 16145 1 841 . 1 1 66 66 LYS HD3 H 1 1.641 0.020 . 2 . . . . 64 LYS HD3 . 16145 1 842 . 1 1 66 66 LYS HE2 H 1 2.986 0.020 . 2 . . . . 64 LYS HE2 . 16145 1 843 . 1 1 66 66 LYS HE3 H 1 2.986 0.020 . 2 . . . . 64 LYS HE3 . 16145 1 844 . 1 1 66 66 LYS HG2 H 1 1.531 0.020 . 2 . . . . 64 LYS HG2 . 16145 1 845 . 1 1 66 66 LYS HG3 H 1 1.449 0.020 . 2 . . . . 64 LYS HG3 . 16145 1 846 . 1 1 66 66 LYS C C 13 177.941 0.005 . 1 . . . . 64 LYS C . 16145 1 847 . 1 1 66 66 LYS CA C 13 57.543 0.200 . 1 . . . . 64 LYS CA . 16145 1 848 . 1 1 66 66 LYS CB C 13 32.620 0.200 . 1 . . . . 64 LYS CB . 16145 1 849 . 1 1 66 66 LYS CD C 13 29.061 0.200 . 1 . . . . 64 LYS CD . 16145 1 850 . 1 1 66 66 LYS CE C 13 42.340 0.200 . 1 . . . . 64 LYS CE . 16145 1 851 . 1 1 66 66 LYS CG C 13 25.340 0.026 . 1 . . . . 64 LYS CG . 16145 1 852 . 1 1 66 66 LYS N N 15 117.398 0.200 . 1 . . . . 64 LYS N . 16145 1 853 . 1 1 67 67 ALA H H 1 7.934 0.003 . 1 . . . . 65 ALA H . 16145 1 854 . 1 1 67 67 ALA HA H 1 4.106 0.012 . 1 . . . . 65 ALA HA . 16145 1 855 . 1 1 67 67 ALA HB1 H 1 1.181 0.004 . 1 . . . . 65 ALA QB . 16145 1 856 . 1 1 67 67 ALA HB2 H 1 1.181 0.004 . 1 . . . . 65 ALA QB . 16145 1 857 . 1 1 67 67 ALA HB3 H 1 1.181 0.004 . 1 . . . . 65 ALA QB . 16145 1 858 . 1 1 67 67 ALA C C 13 178.624 0.200 . 1 . . . . 65 ALA C . 16145 1 859 . 1 1 67 67 ALA CA C 13 53.790 0.200 . 1 . . . . 65 ALA CA . 16145 1 860 . 1 1 67 67 ALA CB C 13 19.106 0.200 . 1 . . . . 65 ALA CB . 16145 1 861 . 1 1 67 67 ALA N N 15 121.561 0.200 . 1 . . . . 65 ALA N . 16145 1 862 . 1 1 68 68 LEU H H 1 7.835 0.020 . 1 . . . . 66 LEU H . 16145 1 863 . 1 1 68 68 LEU HA H 1 4.268 0.020 . 1 . . . . 66 LEU HA . 16145 1 864 . 1 1 68 68 LEU HB2 H 1 1.700 0.020 . 2 . . . . 66 LEU HB2 . 16145 1 865 . 1 1 68 68 LEU HB3 H 1 1.567 0.020 . 2 . . . . 66 LEU HB3 . 16145 1 866 . 1 1 68 68 LEU HD11 H 1 0.836 0.020 . 2 . . . . 66 LEU QD1 . 16145 1 867 . 1 1 68 68 LEU HD12 H 1 0.836 0.020 . 2 . . . . 66 LEU QD1 . 16145 1 868 . 1 1 68 68 LEU HD13 H 1 0.836 0.020 . 2 . . . . 66 LEU QD1 . 16145 1 869 . 1 1 68 68 LEU HD21 H 1 0.836 0.020 . 2 . . . . 66 LEU QD2 . 16145 1 870 . 1 1 68 68 LEU HD22 H 1 0.836 0.020 . 2 . . . . 66 LEU QD2 . 16145 1 871 . 1 1 68 68 LEU HD23 H 1 0.836 0.020 . 2 . . . . 66 LEU QD2 . 16145 1 872 . 1 1 68 68 LEU HG H 1 1.690 0.004 . 1 . . . . 66 LEU HG . 16145 1 873 . 1 1 68 68 LEU CA C 13 55.593 0.200 . 1 . . . . 66 LEU CA . 16145 1 874 . 1 1 68 68 LEU CB C 13 42.191 0.200 . 1 . . . . 66 LEU CB . 16145 1 875 . 1 1 68 68 LEU CD1 C 13 23.237 0.200 . 1 . . . . 66 LEU CD1 . 16145 1 876 . 1 1 68 68 LEU CG C 13 27.178 0.200 . 1 . . . . 66 LEU CG . 16145 1 877 . 1 1 68 68 LEU N N 15 117.270 0.200 . 1 . . . . 66 LEU N . 16145 1 878 . 1 1 69 69 ASN H H 1 7.914 0.020 . 1 . . . . 67 ASN H . 16145 1 879 . 1 1 69 69 ASN HA H 1 4.731 0.013 . 1 . . . . 67 ASN HA . 16145 1 880 . 1 1 69 69 ASN HB2 H 1 2.849 0.002 . 2 . . . . 67 ASN HB2 . 16145 1 881 . 1 1 69 69 ASN HB3 H 1 2.756 0.005 . 2 . . . . 67 ASN HB3 . 16145 1 882 . 1 1 69 69 ASN HD21 H 1 7.673 0.001 . 2 . . . . 67 ASN HD21 . 16145 1 883 . 1 1 69 69 ASN HD22 H 1 6.999 0.020 . 2 . . . . 67 ASN HD22 . 16145 1 884 . 1 1 69 69 ASN C C 13 174.039 0.200 . 1 . . . . 67 ASN C . 16145 1 885 . 1 1 69 69 ASN CA C 13 53.328 0.200 . 1 . . . . 67 ASN CA . 16145 1 886 . 1 1 69 69 ASN CB C 13 39.091 0.200 . 1 . . . . 67 ASN CB . 16145 1 887 . 1 1 69 69 ASN N N 15 118.309 0.200 . 1 . . . . 67 ASN N . 16145 1 888 . 1 1 69 69 ASN ND2 N 15 113.408 0.009 . 1 . . . . 67 ASN ND2 . 16145 1 889 . 1 1 70 70 LYS H H 1 7.730 0.020 . 1 . . . . 68 LYS H . 16145 1 890 . 1 1 70 70 LYS HA H 1 4.152 0.020 . 1 . . . . 68 LYS HA . 16145 1 891 . 1 1 70 70 LYS HB2 H 1 1.810 0.020 . 2 . . . . 68 LYS HB2 . 16145 1 892 . 1 1 70 70 LYS HB3 H 1 1.708 0.006 . 2 . . . . 68 LYS HB3 . 16145 1 893 . 1 1 70 70 LYS HD2 H 1 1.658 0.020 . 2 . . . . 68 LYS HD2 . 16145 1 894 . 1 1 70 70 LYS HD3 H 1 1.658 0.020 . 2 . . . . 68 LYS HD3 . 16145 1 895 . 1 1 70 70 LYS HE2 H 1 2.986 0.020 . 2 . . . . 68 LYS HE2 . 16145 1 896 . 1 1 70 70 LYS HE3 H 1 2.986 0.020 . 2 . . . . 68 LYS HE3 . 16145 1 897 . 1 1 70 70 LYS HG2 H 1 1.387 0.020 . 2 . . . . 68 LYS HG2 . 16145 1 898 . 1 1 70 70 LYS HG3 H 1 1.387 0.020 . 2 . . . . 68 LYS HG3 . 16145 1 899 . 1 1 70 70 LYS C C 13 181.391 0.200 . 1 . . . . 68 LYS C . 16145 1 900 . 1 1 70 70 LYS CA C 13 57.922 0.200 . 1 . . . . 68 LYS CA . 16145 1 901 . 1 1 70 70 LYS CB C 13 33.781 0.006 . 1 . . . . 68 LYS CB . 16145 1 902 . 1 1 70 70 LYS CD C 13 29.061 0.200 . 1 . . . . 68 LYS CD . 16145 1 903 . 1 1 70 70 LYS CE C 13 42.327 0.200 . 1 . . . . 68 LYS CE . 16145 1 904 . 1 1 70 70 LYS CG C 13 24.819 0.200 . 1 . . . . 68 LYS CG . 16145 1 905 . 1 1 70 70 LYS N N 15 126.177 0.200 . 1 . . . . 68 LYS N . 16145 1 stop_ save_