data_15956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15956 _Entry.Title ; NMR structure analysis of a BMP receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-17 _Entry.Accession_date 2008-09-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jochen Klages . . . 15956 2 Alexander Kotzsch . . . 15956 3 Thomas Mueller . . . 15956 4 Horst Kessler . . . 15956 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15956 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BMP . 15956 'NMR structure' . 15956 receptor . 15956 'TGF-beta superfamily' . 15956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 15956 '15N chemical shifts' 101 15956 '1H chemical shifts' 626 15956 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-09-17 update BMRB 'edit assembly name' 15956 1 . . 2009-02-10 2008-09-17 original author 'original release' 15956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3G 'BMRB Entry Tracking System' 15956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15956 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18937504 _Citation.Full_citation . _Citation.Title 'The solution structure of BMPR-IA reveals a local disorder-to-order transition upon BMP-2 binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 47 _Citation.Journal_issue 46 _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 11930 _Citation.Page_last 11939 _Citation.Year 2008 _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 Jochen Klages . . . 15956 1 2 Alexander Kotzsch . . . 15956 1 3 Murray Coles . . . 15956 1 4 Joachim Nickel . . . 15956 1 5 Thomas Mueller . . . 15956 1 6 Horst Kessler . . . 15956 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bone Morphogenetic Protein Receptor type IA' 15956 1 'induced fit' 15956 1 'molecular recognition' 15956 1 NMR 15956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15956 _Assembly.ID 1 _Assembly.Name BMPR-IA _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 'Bone Morphogenetic Protein Receptor Type IA' 1 $Bone_Morphogenetic_Protein_Receptor_Type_IA A . yes native no no . . . 15956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bone_Morphogenetic_Protein_Receptor_Type_IA _Entity.Sf_category entity _Entity.Sf_framecode Bone_Morphogenetic_Protein_Receptor_Type_IA _Entity.Entry_ID 15956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bone_Morphogenetic_Protein_Receptor_Type_IA _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 ; GPEDTLPFLKCYCSGHCPDD AINNTCITNGHCFAIIEEDD QGETTLASGCMKYEGSDFQC KDSPKAQLRRTIECCRTNLC NQYLQPTLPPVVIGPFFDGS IR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '27 N-terminal amino acids were truncated to facilitate structure analysis.' _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Extracellular domain.' _Entity.Mutation A28G _Entity.EC_number 'EC 2.7.11.30' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11278.752 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ES7 . "Complex Between Bmp-2 And Two Bmp Receptor Ia Ectodomains" . . . . . 87.25 89 100.00 100.00 9.37e-58 . . . . 15956 1 2 no PDB 1REW . "Structural Refinement Of The Complex Of Bone Morphogenetic Protein 2 And Its Type Ia Receptor" . . . . . 100.00 135 99.02 99.02 1.61e-68 . . . . 15956 1 3 no PDB 2GOO . "Ternary Complex Of Bmp-2 Bound To Bmpr-Ia-Ecd And Actrii-Ecd" . . . . . 100.00 131 99.02 99.02 3.36e-68 . . . . 15956 1 4 no PDB 2H62 . "Crystal Structure Of A Ternary Ligand-Receptor Complex Of Bmp-2" . . . . . 100.00 129 99.02 99.02 2.92e-68 . . . . 15956 1 5 no PDB 2H64 . "Crystal Structure Of A Ternary Ligand-Receptor Complex Of Bmp-2" . . . . . 100.00 129 99.02 99.02 2.92e-68 . . . . 15956 1 6 no PDB 2K3G . "Nmr Structure Analysis Of A Bmp Receptor" . . . . . 100.00 102 100.00 100.00 4.07e-68 . . . . 15956 1 7 no PDB 3NH7 . "Crystal Structure Of The Neutralizing Fab Fragment Abd1556 Bound To The Bmp Type I Receptor Ia" . . . . . 100.00 129 99.02 99.02 2.92e-68 . . . . 15956 1 8 no PDB 3QB4 . "Crystal Structure Of A Tgf-Beta Ligand-Receptor Complex" . . . . . 100.00 135 99.02 99.02 1.61e-68 . . . . 15956 1 9 no DBJ BAA03769 . "BMP receptor [Mus musculus]" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 10 no DBJ BAA04549 . "bone merphogenetic protein 4 receptor [Rattus norvegicus]" . . . . . 100.00 532 97.06 98.04 2.16e-65 . . . . 15956 1 11 no DBJ BAA07275 . "bone morphogenetic protein type IA receptor [Rattus norvegicus]" . . . . . 100.00 532 97.06 98.04 2.16e-65 . . . . 15956 1 12 no DBJ BAE20961 . "unnamed protein product [Mus musculus]" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 13 no DBJ BAF84453 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 532 99.02 99.02 1.76e-66 . . . . 15956 1 14 no EMBL CAA70474 . "mouse BMP-2/4 receptor [synthetic construct]" . . . . . 100.00 136 98.04 98.04 2.15e-67 . . . . 15956 1 15 no EMBL CAA80257 . "ALK-3 [Homo sapiens]" . . . . . 100.00 532 99.02 99.02 1.76e-66 . . . . 15956 1 16 no EMBL CAA80678 . "ALK-3 [Mus musculus]" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 17 no GB AAA21514 . "BRK-1 [Mus musculus]" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 18 no GB AAA21515 . "BRK-1T [Mus musculus]" . . . . . 100.00 500 98.04 98.04 1.11e-65 . . . . 15956 1 19 no GB AAB33865 . "bone morphogenetic protein type IA receptor [Rattus sp.]" . . . . . 100.00 532 97.06 98.04 2.16e-65 . . . . 15956 1 20 no GB AAH28383 . "Bone morphogenetic protein receptor, type IA [Homo sapiens]" . . . . . 100.00 532 99.02 99.02 2.36e-66 . . . . 15956 1 21 no GB AAH42611 . "Bone morphogenetic protein receptor, type 1A [Mus musculus]" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 22 no REF NP_001070268 . "bone morphogenetic protein receptor type-1A precursor [Bos taurus]" . . . . . 100.00 532 97.06 98.04 5.59e-65 . . . . 15956 1 23 no REF NP_001138622 . "bone morphogenetic protein receptor type-1A [Canis lupus familiaris]" . . . . . 100.00 532 99.02 99.02 1.78e-66 . . . . 15956 1 24 no REF NP_001191696 . "bone morphogenetic protein receptor type-1A precursor [Sus scrofa]" . . . . . 100.00 532 99.02 99.02 1.81e-66 . . . . 15956 1 25 no REF NP_001247522 . "bone morphogenetic protein receptor type-1A precursor [Macaca mulatta]" . . . . . 100.00 532 99.02 99.02 1.87e-66 . . . . 15956 1 26 no REF NP_001267643 . "bone morphogenetic protein receptor type-1A precursor [Ovis aries]" . . . . . 100.00 532 99.02 99.02 1.81e-66 . . . . 15956 1 27 no SP P36894 . "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" . . . . . 100.00 532 99.02 99.02 2.36e-66 . . . . 15956 1 28 no SP P36895 . "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" . . . . . 100.00 532 98.04 98.04 1.26e-65 . . . . 15956 1 29 no SP Q78EA7 . "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" . . . . . 100.00 532 97.06 98.04 2.16e-65 . . . . 15956 1 30 no TPG DAA14159 . "TPA: bone morphogenetic protein receptor, type IA [Bos taurus]" . . . . . 100.00 532 99.02 99.02 2.36e-66 . . . . 15956 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 28 GLY . 15956 1 2 29 PRO . 15956 1 3 30 GLU . 15956 1 4 31 ASP . 15956 1 5 32 THR . 15956 1 6 33 LEU . 15956 1 7 34 PRO . 15956 1 8 35 PHE . 15956 1 9 36 LEU . 15956 1 10 37 LYS . 15956 1 11 38 CYS . 15956 1 12 39 TYR . 15956 1 13 40 CYS . 15956 1 14 41 SER . 15956 1 15 42 GLY . 15956 1 16 43 HIS . 15956 1 17 44 CYS . 15956 1 18 45 PRO . 15956 1 19 46 ASP . 15956 1 20 47 ASP . 15956 1 21 48 ALA . 15956 1 22 49 ILE . 15956 1 23 50 ASN . 15956 1 24 51 ASN . 15956 1 25 52 THR . 15956 1 26 53 CYS . 15956 1 27 54 ILE . 15956 1 28 55 THR . 15956 1 29 56 ASN . 15956 1 30 57 GLY . 15956 1 31 58 HIS . 15956 1 32 59 CYS . 15956 1 33 60 PHE . 15956 1 34 61 ALA . 15956 1 35 62 ILE . 15956 1 36 63 ILE . 15956 1 37 64 GLU . 15956 1 38 65 GLU . 15956 1 39 66 ASP . 15956 1 40 67 ASP . 15956 1 41 68 GLN . 15956 1 42 69 GLY . 15956 1 43 70 GLU . 15956 1 44 71 THR . 15956 1 45 72 THR . 15956 1 46 73 LEU . 15956 1 47 74 ALA . 15956 1 48 75 SER . 15956 1 49 76 GLY . 15956 1 50 77 CYS . 15956 1 51 78 MET . 15956 1 52 79 LYS . 15956 1 53 80 TYR . 15956 1 54 81 GLU . 15956 1 55 82 GLY . 15956 1 56 83 SER . 15956 1 57 84 ASP . 15956 1 58 85 PHE . 15956 1 59 86 GLN . 15956 1 60 87 CYS . 15956 1 61 88 LYS . 15956 1 62 89 ASP . 15956 1 63 90 SER . 15956 1 64 91 PRO . 15956 1 65 92 LYS . 15956 1 66 93 ALA . 15956 1 67 94 GLN . 15956 1 68 95 LEU . 15956 1 69 96 ARG . 15956 1 70 97 ARG . 15956 1 71 98 THR . 15956 1 72 99 ILE . 15956 1 73 100 GLU . 15956 1 74 101 CYS . 15956 1 75 102 CYS . 15956 1 76 103 ARG . 15956 1 77 104 THR . 15956 1 78 105 ASN . 15956 1 79 106 LEU . 15956 1 80 107 CYS . 15956 1 81 108 ASN . 15956 1 82 109 GLN . 15956 1 83 110 TYR . 15956 1 84 111 LEU . 15956 1 85 112 GLN . 15956 1 86 113 PRO . 15956 1 87 114 THR . 15956 1 88 115 LEU . 15956 1 89 116 PRO . 15956 1 90 117 PRO . 15956 1 91 118 VAL . 15956 1 92 119 VAL . 15956 1 93 120 ILE . 15956 1 94 121 GLY . 15956 1 95 122 PRO . 15956 1 96 123 PHE . 15956 1 97 124 PHE . 15956 1 98 125 ASP . 15956 1 99 126 GLY . 15956 1 100 127 SER . 15956 1 101 128 ILE . 15956 1 102 129 ARG . 15956 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 15956 1 . PRO 2 2 15956 1 . GLU 3 3 15956 1 . ASP 4 4 15956 1 . THR 5 5 15956 1 . LEU 6 6 15956 1 . PRO 7 7 15956 1 . PHE 8 8 15956 1 . LEU 9 9 15956 1 . LYS 10 10 15956 1 . CYS 11 11 15956 1 . TYR 12 12 15956 1 . CYS 13 13 15956 1 . SER 14 14 15956 1 . GLY 15 15 15956 1 . HIS 16 16 15956 1 . CYS 17 17 15956 1 . PRO 18 18 15956 1 . ASP 19 19 15956 1 . ASP 20 20 15956 1 . ALA 21 21 15956 1 . ILE 22 22 15956 1 . ASN 23 23 15956 1 . ASN 24 24 15956 1 . THR 25 25 15956 1 . CYS 26 26 15956 1 . ILE 27 27 15956 1 . THR 28 28 15956 1 . ASN 29 29 15956 1 . GLY 30 30 15956 1 . HIS 31 31 15956 1 . CYS 32 32 15956 1 . PHE 33 33 15956 1 . ALA 34 34 15956 1 . ILE 35 35 15956 1 . ILE 36 36 15956 1 . GLU 37 37 15956 1 . GLU 38 38 15956 1 . ASP 39 39 15956 1 . ASP 40 40 15956 1 . GLN 41 41 15956 1 . GLY 42 42 15956 1 . GLU 43 43 15956 1 . THR 44 44 15956 1 . THR 45 45 15956 1 . LEU 46 46 15956 1 . ALA 47 47 15956 1 . SER 48 48 15956 1 . GLY 49 49 15956 1 . CYS 50 50 15956 1 . MET 51 51 15956 1 . LYS 52 52 15956 1 . TYR 53 53 15956 1 . GLU 54 54 15956 1 . GLY 55 55 15956 1 . SER 56 56 15956 1 . ASP 57 57 15956 1 . PHE 58 58 15956 1 . GLN 59 59 15956 1 . CYS 60 60 15956 1 . LYS 61 61 15956 1 . ASP 62 62 15956 1 . SER 63 63 15956 1 . PRO 64 64 15956 1 . LYS 65 65 15956 1 . ALA 66 66 15956 1 . GLN 67 67 15956 1 . LEU 68 68 15956 1 . ARG 69 69 15956 1 . ARG 70 70 15956 1 . THR 71 71 15956 1 . ILE 72 72 15956 1 . GLU 73 73 15956 1 . CYS 74 74 15956 1 . CYS 75 75 15956 1 . ARG 76 76 15956 1 . THR 77 77 15956 1 . ASN 78 78 15956 1 . LEU 79 79 15956 1 . CYS 80 80 15956 1 . ASN 81 81 15956 1 . GLN 82 82 15956 1 . TYR 83 83 15956 1 . LEU 84 84 15956 1 . GLN 85 85 15956 1 . PRO 86 86 15956 1 . THR 87 87 15956 1 . LEU 88 88 15956 1 . PRO 89 89 15956 1 . PRO 90 90 15956 1 . VAL 91 91 15956 1 . VAL 92 92 15956 1 . ILE 93 93 15956 1 . GLY 94 94 15956 1 . PRO 95 95 15956 1 . PHE 96 96 15956 1 . PHE 97 97 15956 1 . ASP 98 98 15956 1 . GLY 99 99 15956 1 . SER 100 100 15956 1 . ILE 101 101 15956 1 . ARG 102 102 15956 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 15956 _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 $Bone_Morphogenetic_Protein_Receptor_Type_IA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15956 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 15956 _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 $Bone_Morphogenetic_Protein_Receptor_Type_IA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32a . . . . . . 15956 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15956 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bone Morphogenetic Protein Receptor Type IA' '[U-99% 15N]' . . 1 $Bone_Morphogenetic_Protein_Receptor_Type_IA . . 1.1 . . mM . . . . 15956 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15956 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15956 1 4 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15956 1 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 15956 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15956 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bone Morphogenetic Protein Receptor Type IA' '[U-94% 13C; U-98% 15N]' . . 1 $Bone_Morphogenetic_Protein_Receptor_Type_IA . . 0.5 . . mM . . . . 15956 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15956 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15956 2 4 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15956 2 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 15956 2 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 15956 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 . pH 15956 1 pressure 1 . atm 15956 1 temperature 298 . K 15956 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15956 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.4a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15956 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15956 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15956 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15956 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15956 2 processing 15956 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15956 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15956 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15956 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15956 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15956 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15956 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15956 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15956 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15956 5 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 15956 _Software.ID 6 _Software.Name AQUA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 15956 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15956 6 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 15956 _Software.ID 7 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 15956 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15956 7 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 15956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15956 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15956 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15956 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15956 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'equipped with cryo probe' . . 15956 1 2 spectrometer_2 Bruker DMX . 750 . . . 15956 1 3 spectrometer_3 Bruker DMX . 600 'equipped with cryo probe' . . 15956 1 4 spectrometer_4 Bruker DMX . 600 . . . 15956 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 15956 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15956 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15956 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15956 1 14 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 1 15 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 16 '3D 1H-15N-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15956 1 17 '3D 1H-15N-13C NIOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15956 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 19 '3D HN(CA)HA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15956 1 20 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15956 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 15956 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . ppm 0.00 external indirect 0.25144953 . . . . . . . . . 15956 1 H 1 TSP protons . . . . ppm 0.00 external direct 1.000 . . . . . . . . . 15956 1 N 15 TSP protons . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 15956 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 15956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15956 1 3 '3D HNCO' . . . 15956 1 4 '3D HNCA' . . . 15956 1 5 '3D CBCA(CO)NH' . . . 15956 1 6 '3D HBHA(CO)NH' . . . 15956 1 7 '3D HNCACB' . . . 15956 1 8 '3D C(CO)NH' . . . 15956 1 9 '3D HCCH-TOCSY' . . . 15956 1 10 '3D HNHA' . . . 15956 1 14 '3D HNHB' . . . 15956 1 15 '3D HCCH-COSY' . . . 15956 1 19 '3D HN(CA)HA' . . . 15956 1 20 '3D HN(CA)CO' . . . 15956 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.31 0.02 . 1 . . . . 29 PRO HA . 15956 1 2 . 1 1 2 2 PRO HB2 H 1 1.83 0.02 . 1 . . . . 29 PRO HB2 . 15956 1 3 . 1 1 2 2 PRO HB3 H 1 2.21 0.02 . 1 . . . . 29 PRO HB3 . 15956 1 4 . 1 1 2 2 PRO HD2 H 1 3.47 0.02 . 2 . . . . 29 PRO HD2 . 15956 1 5 . 1 1 2 2 PRO HD3 H 1 3.59 0.02 . 2 . . . . 29 PRO HD3 . 15956 1 6 . 1 1 2 2 PRO HG2 H 1 1.95 0.02 . 1 . . . . 29 PRO HG2 . 15956 1 7 . 1 1 2 2 PRO HG3 H 1 1.95 0.02 . 1 . . . . 29 PRO HG3 . 15956 1 8 . 1 1 2 2 PRO CA C 13 64.38 0.05 . 1 . . . . 29 PRO CA . 15956 1 9 . 1 1 2 2 PRO CB C 13 32.30 0.05 . 1 . . . . 29 PRO CB . 15956 1 10 . 1 1 2 2 PRO CD C 13 49.90 0.05 . 1 . . . . 29 PRO CD . 15956 1 11 . 1 1 2 2 PRO CG C 13 27.38 0.05 . 1 . . . . 29 PRO CG . 15956 1 12 . 1 1 3 3 GLU H H 1 9.01 0.02 . 1 . . . . 30 GLU H . 15956 1 13 . 1 1 3 3 GLU HA H 1 4.17 0.02 . 1 . . . . 30 GLU HA . 15956 1 14 . 1 1 3 3 GLU HB2 H 1 2.00 0.02 . 2 . . . . 30 GLU HB2 . 15956 1 15 . 1 1 3 3 GLU HB3 H 1 1.86 0.02 . 2 . . . . 30 GLU HB3 . 15956 1 16 . 1 1 3 3 GLU HG2 H 1 2.20 0.02 . 1 . . . . 30 GLU HG2 . 15956 1 17 . 1 1 3 3 GLU HG3 H 1 2.20 0.02 . 1 . . . . 30 GLU HG3 . 15956 1 18 . 1 1 3 3 GLU C C 13 173.73 0.05 . 1 . . . . 30 GLU C . 15956 1 19 . 1 1 3 3 GLU CA C 13 57.56 0.05 . 1 . . . . 30 GLU CA . 15956 1 20 . 1 1 3 3 GLU CB C 13 29.40 0.05 . 1 . . . . 30 GLU CB . 15956 1 21 . 1 1 3 3 GLU CG C 13 36.36 0.05 . 1 . . . . 30 GLU CG . 15956 1 22 . 1 1 3 3 GLU N N 15 118.79 0.05 . 1 . . . . 30 GLU N . 15956 1 23 . 1 1 4 4 ASP H H 1 7.94 0.02 . 1 . . . . 31 ASP H . 15956 1 24 . 1 1 4 4 ASP HA H 1 4.56 0.02 . 1 . . . . 31 ASP HA . 15956 1 25 . 1 1 4 4 ASP HB2 H 1 2.62 0.02 . 1 . . . . 31 ASP HB2 . 15956 1 26 . 1 1 4 4 ASP HB3 H 1 2.62 0.02 . 1 . . . . 31 ASP HB3 . 15956 1 27 . 1 1 4 4 ASP C C 13 173.60 0.05 . 1 . . . . 31 ASP C . 15956 1 28 . 1 1 4 4 ASP CA C 13 54.94 0.05 . 1 . . . . 31 ASP CA . 15956 1 29 . 1 1 4 4 ASP CB C 13 41.65 0.05 . 1 . . . . 31 ASP CB . 15956 1 30 . 1 1 4 4 ASP N N 15 119.92 0.05 . 1 . . . . 31 ASP N . 15956 1 31 . 1 1 5 5 THR H H 1 7.81 0.02 . 1 . . . . 32 THR H . 15956 1 32 . 1 1 5 5 THR HA H 1 4.16 0.02 . 1 . . . . 32 THR HA . 15956 1 33 . 1 1 5 5 THR HB H 1 4.09 0.02 . 1 . . . . 32 THR HB . 15956 1 34 . 1 1 5 5 THR HG21 H 1 1.10 0.02 . 1 . . . . 32 THR HG2 . 15956 1 35 . 1 1 5 5 THR HG22 H 1 1.10 0.02 . 1 . . . . 32 THR HG2 . 15956 1 36 . 1 1 5 5 THR HG23 H 1 1.10 0.02 . 1 . . . . 32 THR HG2 . 15956 1 37 . 1 1 5 5 THR C C 13 171.63 0.05 . 1 . . . . 32 THR C . 15956 1 38 . 1 1 5 5 THR CA C 13 62.41 0.05 . 1 . . . . 32 THR CA . 15956 1 39 . 1 1 5 5 THR CB C 13 70.04 0.05 . 1 . . . . 32 THR CB . 15956 1 40 . 1 1 5 5 THR CG2 C 13 21.87 0.05 . 1 . . . . 32 THR CG2 . 15956 1 41 . 1 1 5 5 THR N N 15 113.57 0.05 . 1 . . . . 32 THR N . 15956 1 42 . 1 1 6 6 LEU H H 1 8.10 0.02 . 1 . . . . 33 LEU H . 15956 1 43 . 1 1 6 6 LEU HA H 1 4.49 0.02 . 1 . . . . 33 LEU HA . 15956 1 44 . 1 1 6 6 LEU HB2 H 1 1.49 0.02 . 1 . . . . 33 LEU HB2 . 15956 1 45 . 1 1 6 6 LEU HB3 H 1 1.41 0.02 . 1 . . . . 33 LEU HB3 . 15956 1 46 . 1 1 6 6 LEU HD11 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15956 1 47 . 1 1 6 6 LEU HD12 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15956 1 48 . 1 1 6 6 LEU HD13 H 1 0.76 0.02 . 1 . . . . 33 LEU HD1 . 15956 1 49 . 1 1 6 6 LEU HD21 H 1 0.76 0.02 . 1 . . . . 33 LEU HD2 . 15956 1 50 . 1 1 6 6 LEU HD22 H 1 0.76 0.02 . 1 . . . . 33 LEU HD2 . 15956 1 51 . 1 1 6 6 LEU HD23 H 1 0.76 0.02 . 1 . . . . 33 LEU HD2 . 15956 1 52 . 1 1 6 6 LEU HG H 1 1.55 0.02 . 1 . . . . 33 LEU HG . 15956 1 53 . 1 1 6 6 LEU C C 13 172.44 0.05 . 1 . . . . 33 LEU C . 15956 1 54 . 1 1 6 6 LEU CA C 13 53.43 0.05 . 1 . . . . 33 LEU CA . 15956 1 55 . 1 1 6 6 LEU CB C 13 41.90 0.05 . 1 . . . . 33 LEU CB . 15956 1 56 . 1 1 6 6 LEU CD1 C 13 25.40 0.05 . 1 . . . . 33 LEU CD1 . 15956 1 57 . 1 1 6 6 LEU CD2 C 13 23.46 0.05 . 1 . . . . 33 LEU CD2 . 15956 1 58 . 1 1 6 6 LEU CG C 13 27.15 0.05 . 1 . . . . 33 LEU CG . 15956 1 59 . 1 1 6 6 LEU N N 15 125.79 0.05 . 1 . . . . 33 LEU N . 15956 1 60 . 1 1 7 7 PRO HA H 1 4.13 0.02 . 1 . . . . 34 PRO HA . 15956 1 61 . 1 1 7 7 PRO HB2 H 1 1.70 0.02 . 1 . . . . 34 PRO HB2 . 15956 1 62 . 1 1 7 7 PRO HB3 H 1 1.99 0.02 . 1 . . . . 34 PRO HB3 . 15956 1 63 . 1 1 7 7 PRO HD2 H 1 3.53 0.02 . 1 . . . . 34 PRO HD2 . 15956 1 64 . 1 1 7 7 PRO HD3 H 1 3.72 0.02 . 1 . . . . 34 PRO HD3 . 15956 1 65 . 1 1 7 7 PRO HG2 H 1 1.90 0.02 . 1 . . . . 34 PRO HG2 . 15956 1 66 . 1 1 7 7 PRO HG3 H 1 1.90 0.02 . 1 . . . . 34 PRO HG3 . 15956 1 67 . 1 1 7 7 PRO CA C 13 63.66 0.05 . 1 . . . . 34 PRO CA . 15956 1 68 . 1 1 7 7 PRO CB C 13 31.97 0.05 . 1 . . . . 34 PRO CB . 15956 1 69 . 1 1 7 7 PRO CD C 13 50.55 0.05 . 1 . . . . 34 PRO CD . 15956 1 70 . 1 1 7 7 PRO CG C 13 27.62 0.05 . 1 . . . . 34 PRO CG . 15956 1 71 . 1 1 8 8 PHE H H 1 7.61 0.02 . 1 . . . . 35 PHE H . 15956 1 72 . 1 1 8 8 PHE HA H 1 4.58 0.02 . 1 . . . . 35 PHE HA . 15956 1 73 . 1 1 8 8 PHE HB2 H 1 2.93 0.02 . 2 . . . . 35 PHE HB2 . 15956 1 74 . 1 1 8 8 PHE HB3 H 1 2.89 0.02 . 2 . . . . 35 PHE HB3 . 15956 1 75 . 1 1 8 8 PHE HD1 H 1 7.13 0.02 . 1 . . . . 35 PHE HD1 . 15956 1 76 . 1 1 8 8 PHE HD2 H 1 7.13 0.02 . 1 . . . . 35 PHE HD2 . 15956 1 77 . 1 1 8 8 PHE C C 13 171.11 0.05 . 1 . . . . 35 PHE C . 15956 1 78 . 1 1 8 8 PHE CA C 13 57.69 0.05 . 1 . . . . 35 PHE CA . 15956 1 79 . 1 1 8 8 PHE CB C 13 40.85 0.05 . 1 . . . . 35 PHE CB . 15956 1 80 . 1 1 8 8 PHE N N 15 117.67 0.05 . 1 . . . . 35 PHE N . 15956 1 81 . 1 1 9 9 LEU H H 1 8.31 0.02 . 1 . . . . 36 LEU H . 15956 1 82 . 1 1 9 9 LEU HA H 1 4.42 0.02 . 1 . . . . 36 LEU HA . 15956 1 83 . 1 1 9 9 LEU HB2 H 1 0.90 0.02 . 1 . . . . 36 LEU HB2 . 15956 1 84 . 1 1 9 9 LEU HB3 H 1 1.35 0.02 . 1 . . . . 36 LEU HB3 . 15956 1 85 . 1 1 9 9 LEU HD11 H 1 0.56 0.02 . 1 . . . . 36 LEU HD1 . 15956 1 86 . 1 1 9 9 LEU HD12 H 1 0.56 0.02 . 1 . . . . 36 LEU HD1 . 15956 1 87 . 1 1 9 9 LEU HD13 H 1 0.56 0.02 . 1 . . . . 36 LEU HD1 . 15956 1 88 . 1 1 9 9 LEU HD21 H 1 0.59 0.02 . 1 . . . . 36 LEU HD2 . 15956 1 89 . 1 1 9 9 LEU HD22 H 1 0.59 0.02 . 1 . . . . 36 LEU HD2 . 15956 1 90 . 1 1 9 9 LEU HD23 H 1 0.59 0.02 . 1 . . . . 36 LEU HD2 . 15956 1 91 . 1 1 9 9 LEU HG H 1 1.20 0.02 . 1 . . . . 36 LEU HG . 15956 1 92 . 1 1 9 9 LEU C C 13 171.05 0.05 . 1 . . . . 36 LEU C . 15956 1 93 . 1 1 9 9 LEU CA C 13 54.77 0.05 . 1 . . . . 36 LEU CA . 15956 1 94 . 1 1 9 9 LEU CB C 13 44.23 0.05 . 1 . . . . 36 LEU CB . 15956 1 95 . 1 1 9 9 LEU CD1 C 13 23.74 0.05 . 1 . . . . 36 LEU CD1 . 15956 1 96 . 1 1 9 9 LEU CD2 C 13 26.81 0.05 . 1 . . . . 36 LEU CD2 . 15956 1 97 . 1 1 9 9 LEU CG C 13 26.73 0.05 . 1 . . . . 36 LEU CG . 15956 1 98 . 1 1 9 9 LEU N N 15 125.15 0.05 . 1 . . . . 36 LEU N . 15956 1 99 . 1 1 10 10 LYS H H 1 8.13 0.02 . 1 . . . . 37 LYS H . 15956 1 100 . 1 1 10 10 LYS HA H 1 5.11 0.02 . 1 . . . . 37 LYS HA . 15956 1 101 . 1 1 10 10 LYS HB2 H 1 1.50 0.02 . 1 . . . . 37 LYS HB2 . 15956 1 102 . 1 1 10 10 LYS HB3 H 1 1.50 0.02 . 1 . . . . 37 LYS HB3 . 15956 1 103 . 1 1 10 10 LYS HD2 H 1 1.53 0.02 . 1 . . . . 37 LYS HD2 . 15956 1 104 . 1 1 10 10 LYS HD3 H 1 1.53 0.02 . 1 . . . . 37 LYS HD3 . 15956 1 105 . 1 1 10 10 LYS HE2 H 1 2.80 0.02 . 1 . . . . 37 LYS HE2 . 15956 1 106 . 1 1 10 10 LYS HE3 H 1 2.80 0.02 . 1 . . . . 37 LYS HE3 . 15956 1 107 . 1 1 10 10 LYS HG2 H 1 1.29 0.02 . 2 . . . . 37 LYS HG2 . 15956 1 108 . 1 1 10 10 LYS HG3 H 1 1.19 0.02 . 2 . . . . 37 LYS HG3 . 15956 1 109 . 1 1 10 10 LYS C C 13 172.47 0.05 . 1 . . . . 37 LYS C . 15956 1 110 . 1 1 10 10 LYS CA C 13 54.73 0.05 . 1 . . . . 37 LYS CA . 15956 1 111 . 1 1 10 10 LYS CB C 13 35.01 0.05 . 1 . . . . 37 LYS CB . 15956 1 112 . 1 1 10 10 LYS CD C 13 29.77 0.05 . 1 . . . . 37 LYS CD . 15956 1 113 . 1 1 10 10 LYS CE C 13 42.13 0.05 . 1 . . . . 37 LYS CE . 15956 1 114 . 1 1 10 10 LYS CG C 13 25.61 0.05 . 1 . . . . 37 LYS CG . 15956 1 115 . 1 1 10 10 LYS N N 15 123.55 0.05 . 1 . . . . 37 LYS N . 15956 1 116 . 1 1 11 11 CYS H H 1 9.24 0.02 . 1 . . . . 38 CYS H . 15956 1 117 . 1 1 11 11 CYS HA H 1 4.89 0.02 . 1 . . . . 38 CYS HA . 15956 1 118 . 1 1 11 11 CYS HB2 H 1 2.94 0.02 . 2 . . . . 38 CYS HB2 . 15956 1 119 . 1 1 11 11 CYS HB3 H 1 2.88 0.02 . 2 . . . . 38 CYS HB3 . 15956 1 120 . 1 1 11 11 CYS C C 13 171.75 0.05 . 1 . . . . 38 CYS C . 15956 1 121 . 1 1 11 11 CYS CA C 13 51.95 0.05 . 1 . . . . 38 CYS CA . 15956 1 122 . 1 1 11 11 CYS CB C 13 41.36 0.05 . 1 . . . . 38 CYS CB . 15956 1 123 . 1 1 11 11 CYS N N 15 121.58 0.05 . 1 . . . . 38 CYS N . 15956 1 124 . 1 1 12 12 TYR H H 1 8.83 0.02 . 1 . . . . 39 TYR H . 15956 1 125 . 1 1 12 12 TYR HA H 1 4.78 0.02 . 1 . . . . 39 TYR HA . 15956 1 126 . 1 1 12 12 TYR HB2 H 1 2.52 0.02 . 1 . . . . 39 TYR HB2 . 15956 1 127 . 1 1 12 12 TYR HB3 H 1 2.32 0.02 . 1 . . . . 39 TYR HB3 . 15956 1 128 . 1 1 12 12 TYR HD1 H 1 6.87 0.02 . 1 . . . . 39 TYR HD1 . 15956 1 129 . 1 1 12 12 TYR HD2 H 1 6.87 0.02 . 1 . . . . 39 TYR HD2 . 15956 1 130 . 1 1 12 12 TYR HE1 H 1 6.66 0.02 . 1 . . . . 39 TYR HE1 . 15956 1 131 . 1 1 12 12 TYR HE2 H 1 6.66 0.02 . 1 . . . . 39 TYR HE2 . 15956 1 132 . 1 1 12 12 TYR C C 13 172.26 0.05 . 1 . . . . 39 TYR C . 15956 1 133 . 1 1 12 12 TYR CA C 13 58.50 0.05 . 1 . . . . 39 TYR CA . 15956 1 134 . 1 1 12 12 TYR CB C 13 40.90 0.05 . 1 . . . . 39 TYR CB . 15956 1 135 . 1 1 12 12 TYR N N 15 122.39 0.05 . 1 . . . . 39 TYR N . 15956 1 136 . 1 1 13 13 CYS H H 1 7.69 0.02 . 1 . . . . 40 CYS H . 15956 1 137 . 1 1 13 13 CYS HA H 1 4.42 0.02 . 1 . . . . 40 CYS HA . 15956 1 138 . 1 1 13 13 CYS HB2 H 1 2.72 0.02 . 1 . . . . 40 CYS HB2 . 15956 1 139 . 1 1 13 13 CYS HB3 H 1 2.72 0.02 . 1 . . . . 40 CYS HB3 . 15956 1 140 . 1 1 13 13 CYS CA C 13 53.85 0.05 . 1 . . . . 40 CYS CA . 15956 1 141 . 1 1 13 13 CYS CB C 13 48.92 0.05 . 1 . . . . 40 CYS CB . 15956 1 142 . 1 1 14 14 SER H H 1 7.85 0.02 . 1 . . . . 41 SER H . 15956 1 143 . 1 1 14 14 SER HA H 1 4.16 0.02 . 1 . . . . 41 SER HA . 15956 1 144 . 1 1 14 14 SER HB2 H 1 3.68 0.02 . 1 . . . . 41 SER HB2 . 15956 1 145 . 1 1 14 14 SER HB3 H 1 3.68 0.02 . 1 . . . . 41 SER HB3 . 15956 1 146 . 1 1 14 14 SER CA C 13 58.45 0.05 . 1 . . . . 41 SER CA . 15956 1 147 . 1 1 14 14 SER CB C 13 63.84 0.05 . 1 . . . . 41 SER CB . 15956 1 148 . 1 1 14 14 SER N N 15 117.02 0.05 . 1 . . . . 41 SER N . 15956 1 149 . 1 1 16 16 HIS HA H 1 4.88 0.02 . 1 . . . . 43 HIS HA . 15956 1 150 . 1 1 16 16 HIS HB2 H 1 3.45 0.02 . 2 . . . . 43 HIS HB2 . 15956 1 151 . 1 1 16 16 HIS HB3 H 1 2.80 0.02 . 2 . . . . 43 HIS HB3 . 15956 1 152 . 1 1 16 16 HIS CA C 13 54.77 0.05 . 1 . . . . 43 HIS CA . 15956 1 153 . 1 1 16 16 HIS CB C 13 29.49 0.05 . 1 . . . . 43 HIS CB . 15956 1 154 . 1 1 17 17 CYS H H 1 8.56 0.02 . 1 . . . . 44 CYS H . 15956 1 155 . 1 1 18 18 PRO HA H 1 4.66 0.02 . 1 . . . . 45 PRO HA . 15956 1 156 . 1 1 18 18 PRO HB2 H 1 2.22 0.02 . 1 . . . . 45 PRO HB2 . 15956 1 157 . 1 1 18 18 PRO HB3 H 1 2.41 0.02 . 1 . . . . 45 PRO HB3 . 15956 1 158 . 1 1 18 18 PRO HG2 H 1 1.97 0.02 . 2 . . . . 45 PRO HG2 . 15956 1 159 . 1 1 18 18 PRO HG3 H 1 2.25 0.02 . 2 . . . . 45 PRO HG3 . 15956 1 160 . 1 1 18 18 PRO CA C 13 62.50 0.05 . 1 . . . . 45 PRO CA . 15956 1 161 . 1 1 18 18 PRO CB C 13 33.14 0.05 . 1 . . . . 45 PRO CB . 15956 1 162 . 1 1 18 18 PRO CD C 13 50.23 0.05 . 1 . . . . 45 PRO CD . 15956 1 163 . 1 1 18 18 PRO CG C 13 27.65 0.05 . 1 . . . . 45 PRO CG . 15956 1 164 . 1 1 19 19 ASP H H 1 8.80 0.02 . 1 . . . . 46 ASP H . 15956 1 165 . 1 1 19 19 ASP HA H 1 4.25 0.02 . 1 . . . . 46 ASP HA . 15956 1 166 . 1 1 19 19 ASP HB2 H 1 2.67 0.02 . 2 . . . . 46 ASP HB2 . 15956 1 167 . 1 1 19 19 ASP HB3 H 1 2.62 0.02 . 2 . . . . 46 ASP HB3 . 15956 1 168 . 1 1 19 19 ASP C C 13 173.43 0.05 . 1 . . . . 46 ASP C . 15956 1 169 . 1 1 19 19 ASP CA C 13 57.19 0.05 . 1 . . . . 46 ASP CA . 15956 1 170 . 1 1 19 19 ASP CB C 13 40.72 0.05 . 1 . . . . 46 ASP CB . 15956 1 171 . 1 1 19 19 ASP N N 15 120.17 0.05 . 1 . . . . 46 ASP N . 15956 1 172 . 1 1 20 20 ASP H H 1 8.05 0.02 . 1 . . . . 47 ASP H . 15956 1 173 . 1 1 20 20 ASP HA H 1 4.51 0.02 . 1 . . . . 47 ASP HA . 15956 1 174 . 1 1 20 20 ASP HB2 H 1 2.90 0.02 . 1 . . . . 47 ASP HB2 . 15956 1 175 . 1 1 20 20 ASP HB3 H 1 2.48 0.02 . 1 . . . . 47 ASP HB3 . 15956 1 176 . 1 1 20 20 ASP C C 13 173.50 0.05 . 1 . . . . 47 ASP C . 15956 1 177 . 1 1 20 20 ASP CA C 13 52.84 0.05 . 1 . . . . 47 ASP CA . 15956 1 178 . 1 1 20 20 ASP CB C 13 39.98 0.05 . 1 . . . . 47 ASP CB . 15956 1 179 . 1 1 20 20 ASP N N 15 114.67 0.05 . 1 . . . . 47 ASP N . 15956 1 180 . 1 1 21 21 ALA H H 1 7.35 0.02 . 1 . . . . 48 ALA H . 15956 1 181 . 1 1 21 21 ALA HA H 1 4.28 0.02 . 1 . . . . 48 ALA HA . 15956 1 182 . 1 1 21 21 ALA HB1 H 1 1.26 0.02 . 1 . . . . 48 ALA HB . 15956 1 183 . 1 1 21 21 ALA HB2 H 1 1.26 0.02 . 1 . . . . 48 ALA HB . 15956 1 184 . 1 1 21 21 ALA HB3 H 1 1.26 0.02 . 1 . . . . 48 ALA HB . 15956 1 185 . 1 1 21 21 ALA C C 13 174.49 0.05 . 1 . . . . 48 ALA C . 15956 1 186 . 1 1 21 21 ALA CA C 13 53.43 0.05 . 1 . . . . 48 ALA CA . 15956 1 187 . 1 1 21 21 ALA CB C 13 20.87 0.05 . 1 . . . . 48 ALA CB . 15956 1 188 . 1 1 21 21 ALA N N 15 122.66 0.05 . 1 . . . . 48 ALA N . 15956 1 189 . 1 1 22 22 ILE H H 1 7.96 0.02 . 1 . . . . 49 ILE H . 15956 1 190 . 1 1 22 22 ILE HA H 1 4.24 0.02 . 1 . . . . 49 ILE HA . 15956 1 191 . 1 1 22 22 ILE HB H 1 1.62 0.02 . 1 . . . . 49 ILE HB . 15956 1 192 . 1 1 22 22 ILE HD11 H 1 0.74 0.02 . 1 . . . . 49 ILE HD1 . 15956 1 193 . 1 1 22 22 ILE HD12 H 1 0.74 0.02 . 1 . . . . 49 ILE HD1 . 15956 1 194 . 1 1 22 22 ILE HD13 H 1 0.74 0.02 . 1 . . . . 49 ILE HD1 . 15956 1 195 . 1 1 22 22 ILE HG13 H 1 0.97 0.02 . 2 . . . . 49 ILE HG13 . 15956 1 196 . 1 1 22 22 ILE HG21 H 1 0.77 0.02 . 1 . . . . 49 ILE HG2 . 15956 1 197 . 1 1 22 22 ILE HG22 H 1 0.77 0.02 . 1 . . . . 49 ILE HG2 . 15956 1 198 . 1 1 22 22 ILE HG23 H 1 0.77 0.02 . 1 . . . . 49 ILE HG2 . 15956 1 199 . 1 1 22 22 ILE C C 13 173.30 0.05 . 1 . . . . 49 ILE C . 15956 1 200 . 1 1 22 22 ILE CA C 13 60.23 0.05 . 1 . . . . 49 ILE CA . 15956 1 201 . 1 1 22 22 ILE CB C 13 40.28 0.05 . 1 . . . . 49 ILE CB . 15956 1 202 . 1 1 22 22 ILE CD1 C 13 12.88 0.05 . 1 . . . . 49 ILE CD1 . 15956 1 203 . 1 1 22 22 ILE CG1 C 13 27.20 0.05 . 1 . . . . 49 ILE CG1 . 15956 1 204 . 1 1 22 22 ILE CG2 C 13 17.36 0.05 . 1 . . . . 49 ILE CG2 . 15956 1 205 . 1 1 22 22 ILE N N 15 119.55 0.05 . 1 . . . . 49 ILE N . 15956 1 206 . 1 1 23 23 ASN H H 1 9.28 0.02 . 1 . . . . 50 ASN H . 15956 1 207 . 1 1 23 23 ASN HA H 1 4.29 0.02 . 1 . . . . 50 ASN HA . 15956 1 208 . 1 1 23 23 ASN HB2 H 1 2.91 0.02 . 2 . . . . 50 ASN HB2 . 15956 1 209 . 1 1 23 23 ASN HB3 H 1 2.71 0.02 . 2 . . . . 50 ASN HB3 . 15956 1 210 . 1 1 23 23 ASN HD21 H 1 6.82 0.02 . 2 . . . . 50 ASN HD21 . 15956 1 211 . 1 1 23 23 ASN HD22 H 1 7.53 0.02 . 2 . . . . 50 ASN HD22 . 15956 1 212 . 1 1 23 23 ASN CA C 13 54.66 0.05 . 1 . . . . 50 ASN CA . 15956 1 213 . 1 1 23 23 ASN CB C 13 37.62 0.05 . 1 . . . . 50 ASN CB . 15956 1 214 . 1 1 23 23 ASN N N 15 125.47 0.05 . 1 . . . . 50 ASN N . 15956 1 215 . 1 1 23 23 ASN ND2 N 15 112.50 0.05 . 1 . . . . 50 ASN ND2 . 15956 1 216 . 1 1 24 24 ASN H H 1 8.85 0.02 . 1 . . . . 51 ASN H . 15956 1 217 . 1 1 24 24 ASN HA H 1 4.07 0.02 . 1 . . . . 51 ASN HA . 15956 1 218 . 1 1 24 24 ASN HB2 H 1 3.06 0.02 . 2 . . . . 51 ASN HB2 . 15956 1 219 . 1 1 24 24 ASN HB3 H 1 2.79 0.02 . 2 . . . . 51 ASN HB3 . 15956 1 220 . 1 1 24 24 ASN HD21 H 1 7.61 0.02 . 2 . . . . 51 ASN HD21 . 15956 1 221 . 1 1 24 24 ASN HD22 H 1 8.55 0.02 . 2 . . . . 51 ASN HD22 . 15956 1 222 . 1 1 24 24 ASN C C 13 170.66 0.05 . 1 . . . . 51 ASN C . 15956 1 223 . 1 1 24 24 ASN CA C 13 56.08 0.05 . 1 . . . . 51 ASN CA . 15956 1 224 . 1 1 24 24 ASN CB C 13 37.43 0.05 . 1 . . . . 51 ASN CB . 15956 1 225 . 1 1 24 24 ASN ND2 N 15 116.80 0.05 . 1 . . . . 51 ASN ND2 . 15956 1 226 . 1 1 25 25 THR H H 1 7.19 0.02 . 1 . . . . 52 THR H . 15956 1 227 . 1 1 25 25 THR HA H 1 5.37 0.02 . 1 . . . . 52 THR HA . 15956 1 228 . 1 1 25 25 THR HB H 1 3.89 0.02 . 1 . . . . 52 THR HB . 15956 1 229 . 1 1 25 25 THR HG21 H 1 1.02 0.02 . 1 . . . . 52 THR HG2 . 15956 1 230 . 1 1 25 25 THR HG22 H 1 1.02 0.02 . 1 . . . . 52 THR HG2 . 15956 1 231 . 1 1 25 25 THR HG23 H 1 1.02 0.02 . 1 . . . . 52 THR HG2 . 15956 1 232 . 1 1 25 25 THR C C 13 169.91 0.05 . 1 . . . . 52 THR C . 15956 1 233 . 1 1 25 25 THR CA C 13 59.89 0.05 . 1 . . . . 52 THR CA . 15956 1 234 . 1 1 25 25 THR CB C 13 73.94 0.05 . 1 . . . . 52 THR CB . 15956 1 235 . 1 1 25 25 THR CG2 C 13 22.12 0.05 . 1 . . . . 52 THR CG2 . 15956 1 236 . 1 1 25 25 THR N N 15 105.82 0.05 . 1 . . . . 52 THR N . 15956 1 237 . 1 1 26 26 CYS H H 1 8.96 0.02 . 1 . . . . 53 CYS H . 15956 1 238 . 1 1 26 26 CYS HA H 1 5.00 0.02 . 1 . . . . 53 CYS HA . 15956 1 239 . 1 1 26 26 CYS HB2 H 1 3.59 0.02 . 1 . . . . 53 CYS HB2 . 15956 1 240 . 1 1 26 26 CYS HB3 H 1 2.57 0.02 . 1 . . . . 53 CYS HB3 . 15956 1 241 . 1 1 26 26 CYS C C 13 168.78 0.05 . 1 . . . . 53 CYS C . 15956 1 242 . 1 1 26 26 CYS CA C 13 52.56 0.05 . 1 . . . . 53 CYS CA . 15956 1 243 . 1 1 26 26 CYS CB C 13 48.65 0.05 . 1 . . . . 53 CYS CB . 15956 1 244 . 1 1 26 26 CYS N N 15 116.07 0.05 . 1 . . . . 53 CYS N . 15956 1 245 . 1 1 27 27 ILE H H 1 8.53 0.02 . 1 . . . . 54 ILE H . 15956 1 246 . 1 1 27 27 ILE HA H 1 5.21 0.02 . 1 . . . . 54 ILE HA . 15956 1 247 . 1 1 27 27 ILE HB H 1 1.52 0.02 . 1 . . . . 54 ILE HB . 15956 1 248 . 1 1 27 27 ILE HD11 H 1 0.63 0.02 . 1 . . . . 54 ILE HD1 . 15956 1 249 . 1 1 27 27 ILE HD12 H 1 0.63 0.02 . 1 . . . . 54 ILE HD1 . 15956 1 250 . 1 1 27 27 ILE HD13 H 1 0.63 0.02 . 1 . . . . 54 ILE HD1 . 15956 1 251 . 1 1 27 27 ILE HG12 H 1 1.33 0.02 . 1 . . . . 54 ILE HG12 . 15956 1 252 . 1 1 27 27 ILE HG13 H 1 0.94 0.02 . 1 . . . . 54 ILE HG13 . 15956 1 253 . 1 1 27 27 ILE HG21 H 1 0.67 0.02 . 1 . . . . 54 ILE HG2 . 15956 1 254 . 1 1 27 27 ILE HG22 H 1 0.67 0.02 . 1 . . . . 54 ILE HG2 . 15956 1 255 . 1 1 27 27 ILE HG23 H 1 0.67 0.02 . 1 . . . . 54 ILE HG2 . 15956 1 256 . 1 1 27 27 ILE C C 13 173.40 0.05 . 1 . . . . 54 ILE C . 15956 1 257 . 1 1 27 27 ILE CA C 13 59.20 0.05 . 1 . . . . 54 ILE CA . 15956 1 258 . 1 1 27 27 ILE CB C 13 40.22 0.05 . 1 . . . . 54 ILE CB . 15956 1 259 . 1 1 27 27 ILE CD1 C 13 13.05 0.05 . 1 . . . . 54 ILE CD1 . 15956 1 260 . 1 1 27 27 ILE CG1 C 13 27.40 0.05 . 1 . . . . 54 ILE CG1 . 15956 1 261 . 1 1 27 27 ILE CG2 C 13 17.94 0.05 . 1 . . . . 54 ILE CG2 . 15956 1 262 . 1 1 27 27 ILE N N 15 120.17 0.05 . 1 . . . . 54 ILE N . 15956 1 263 . 1 1 28 28 THR H H 1 9.20 0.02 . 1 . . . . 55 THR H . 15956 1 264 . 1 1 28 28 THR HA H 1 4.80 0.02 . 1 . . . . 55 THR HA . 15956 1 265 . 1 1 28 28 THR HB H 1 3.73 0.02 . 1 . . . . 55 THR HB . 15956 1 266 . 1 1 28 28 THR HG21 H 1 0.83 0.02 . 1 . . . . 55 THR HG2 . 15956 1 267 . 1 1 28 28 THR HG22 H 1 0.83 0.02 . 1 . . . . 55 THR HG2 . 15956 1 268 . 1 1 28 28 THR HG23 H 1 0.83 0.02 . 1 . . . . 55 THR HG2 . 15956 1 269 . 1 1 28 28 THR C C 13 168.37 0.05 . 1 . . . . 55 THR C . 15956 1 270 . 1 1 28 28 THR CA C 13 60.06 0.05 . 1 . . . . 55 THR CA . 15956 1 271 . 1 1 28 28 THR CB C 13 70.49 0.05 . 1 . . . . 55 THR CB . 15956 1 272 . 1 1 28 28 THR CG2 C 13 19.62 0.05 . 1 . . . . 55 THR CG2 . 15956 1 273 . 1 1 28 28 THR N N 15 120.75 0.05 . 1 . . . . 55 THR N . 15956 1 274 . 1 1 29 29 ASN H H 1 8.00 0.02 . 1 . . . . 56 ASN H . 15956 1 275 . 1 1 29 29 ASN HA H 1 4.92 0.02 . 1 . . . . 56 ASN HA . 15956 1 276 . 1 1 29 29 ASN HB2 H 1 2.37 0.02 . 1 . . . . 56 ASN HB2 . 15956 1 277 . 1 1 29 29 ASN HB3 H 1 2.90 0.02 . 1 . . . . 56 ASN HB3 . 15956 1 278 . 1 1 29 29 ASN HD21 H 1 6.93 0.02 . 2 . . . . 56 ASN HD21 . 15956 1 279 . 1 1 29 29 ASN HD22 H 1 7.44 0.02 . 2 . . . . 56 ASN HD22 . 15956 1 280 . 1 1 29 29 ASN C C 13 172.88 0.05 . 1 . . . . 56 ASN C . 15956 1 281 . 1 1 29 29 ASN CA C 13 52.62 0.05 . 1 . . . . 56 ASN CA . 15956 1 282 . 1 1 29 29 ASN CB C 13 38.92 0.05 . 1 . . . . 56 ASN CB . 15956 1 283 . 1 1 29 29 ASN N N 15 120.88 0.05 . 1 . . . . 56 ASN N . 15956 1 284 . 1 1 29 29 ASN ND2 N 15 110.61 0.05 . 1 . . . . 56 ASN ND2 . 15956 1 285 . 1 1 30 30 GLY H H 1 8.51 0.02 . 1 . . . . 57 GLY H . 15956 1 286 . 1 1 30 30 GLY HA2 H 1 4.14 0.02 . 1 . . . . 57 GLY HA2 . 15956 1 287 . 1 1 30 30 GLY HA3 H 1 3.96 0.02 . 1 . . . . 57 GLY HA3 . 15956 1 288 . 1 1 30 30 GLY C C 13 169.02 0.05 . 1 . . . . 57 GLY C . 15956 1 289 . 1 1 30 30 GLY CA C 13 45.80 0.05 . 1 . . . . 57 GLY CA . 15956 1 290 . 1 1 30 30 GLY N N 15 111.38 0.05 . 1 . . . . 57 GLY N . 15956 1 291 . 1 1 31 31 HIS H H 1 8.56 0.02 . 1 . . . . 58 HIS H . 15956 1 292 . 1 1 31 31 HIS HA H 1 4.71 0.02 . 1 . . . . 58 HIS HA . 15956 1 293 . 1 1 31 31 HIS HB2 H 1 2.79 0.02 . 1 . . . . 58 HIS HB2 . 15956 1 294 . 1 1 31 31 HIS HB3 H 1 3.25 0.02 . 1 . . . . 58 HIS HB3 . 15956 1 295 . 1 1 31 31 HIS C C 13 171.20 0.05 . 1 . . . . 58 HIS C . 15956 1 296 . 1 1 31 31 HIS CA C 13 56.14 0.05 . 1 . . . . 58 HIS CA . 15956 1 297 . 1 1 31 31 HIS CB C 13 34.65 0.05 . 1 . . . . 58 HIS CB . 15956 1 298 . 1 1 31 31 HIS N N 15 120.87 0.05 . 1 . . . . 58 HIS N . 15956 1 299 . 1 1 32 32 CYS H H 1 8.71 0.02 . 1 . . . . 59 CYS H . 15956 1 300 . 1 1 32 32 CYS HA H 1 5.70 0.02 . 1 . . . . 59 CYS HA . 15956 1 301 . 1 1 32 32 CYS HB2 H 1 2.96 0.02 . 1 . . . . 59 CYS HB2 . 15956 1 302 . 1 1 32 32 CYS HB3 H 1 3.06 0.02 . 1 . . . . 59 CYS HB3 . 15956 1 303 . 1 1 32 32 CYS C C 13 173.47 0.05 . 1 . . . . 59 CYS C . 15956 1 304 . 1 1 32 32 CYS CA C 13 52.34 0.05 . 1 . . . . 59 CYS CA . 15956 1 305 . 1 1 32 32 CYS CB C 13 36.95 0.05 . 1 . . . . 59 CYS CB . 15956 1 306 . 1 1 32 32 CYS N N 15 117.29 0.05 . 1 . . . . 59 CYS N . 15956 1 307 . 1 1 33 33 PHE H H 1 8.70 0.02 . 1 . . . . 60 PHE H . 15956 1 308 . 1 1 33 33 PHE HA H 1 6.11 0.02 . 1 . . . . 60 PHE HA . 15956 1 309 . 1 1 33 33 PHE HB2 H 1 2.99 0.02 . 2 . . . . 60 PHE HB2 . 15956 1 310 . 1 1 33 33 PHE HB3 H 1 2.89 0.02 . 2 . . . . 60 PHE HB3 . 15956 1 311 . 1 1 33 33 PHE HD1 H 1 6.69 0.02 . 1 . . . . 60 PHE HD1 . 15956 1 312 . 1 1 33 33 PHE HD2 H 1 6.69 0.02 . 1 . . . . 60 PHE HD2 . 15956 1 313 . 1 1 33 33 PHE HE1 H 1 6.93 0.02 . 1 . . . . 60 PHE HE1 . 15956 1 314 . 1 1 33 33 PHE HE2 H 1 6.93 0.02 . 1 . . . . 60 PHE HE2 . 15956 1 315 . 1 1 33 33 PHE HZ H 1 6.80 0.02 . 1 . . . . 60 PHE HZ . 15956 1 316 . 1 1 33 33 PHE C C 13 172.20 0.05 . 1 . . . . 60 PHE C . 15956 1 317 . 1 1 33 33 PHE CA C 13 56.63 0.05 . 1 . . . . 60 PHE CA . 15956 1 318 . 1 1 33 33 PHE CB C 13 44.83 0.05 . 1 . . . . 60 PHE CB . 15956 1 319 . 1 1 33 33 PHE N N 15 116.07 0.05 . 1 . . . . 60 PHE N . 15956 1 320 . 1 1 34 34 ALA H H 1 9.20 0.02 . 1 . . . . 61 ALA H . 15956 1 321 . 1 1 34 34 ALA HA H 1 5.00 0.02 . 1 . . . . 61 ALA HA . 15956 1 322 . 1 1 34 34 ALA HB1 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 15956 1 323 . 1 1 34 34 ALA HB2 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 15956 1 324 . 1 1 34 34 ALA HB3 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 15956 1 325 . 1 1 34 34 ALA C C 13 171.61 0.05 . 1 . . . . 61 ALA C . 15956 1 326 . 1 1 34 34 ALA CA C 13 52.32 0.05 . 1 . . . . 61 ALA CA . 15956 1 327 . 1 1 34 34 ALA CB C 13 23.95 0.05 . 1 . . . . 61 ALA CB . 15956 1 328 . 1 1 34 34 ALA N N 15 125.17 0.05 . 1 . . . . 61 ALA N . 15956 1 329 . 1 1 35 35 ILE H H 1 9.47 0.02 . 1 . . . . 62 ILE H . 15956 1 330 . 1 1 35 35 ILE HA H 1 5.35 0.02 . 1 . . . . 62 ILE HA . 15956 1 331 . 1 1 35 35 ILE HB H 1 1.61 0.02 . 1 . . . . 62 ILE HB . 15956 1 332 . 1 1 35 35 ILE HD11 H 1 0.62 0.02 . 1 . . . . 62 ILE HD1 . 15956 1 333 . 1 1 35 35 ILE HD12 H 1 0.62 0.02 . 1 . . . . 62 ILE HD1 . 15956 1 334 . 1 1 35 35 ILE HD13 H 1 0.62 0.02 . 1 . . . . 62 ILE HD1 . 15956 1 335 . 1 1 35 35 ILE HG12 H 1 1.53 0.02 . 2 . . . . 62 ILE HG12 . 15956 1 336 . 1 1 35 35 ILE HG13 H 1 0.83 0.02 . 2 . . . . 62 ILE HG13 . 15956 1 337 . 1 1 35 35 ILE HG21 H 1 0.89 0.02 . 1 . . . . 62 ILE HG2 . 15956 1 338 . 1 1 35 35 ILE HG22 H 1 0.89 0.02 . 1 . . . . 62 ILE HG2 . 15956 1 339 . 1 1 35 35 ILE HG23 H 1 0.89 0.02 . 1 . . . . 62 ILE HG2 . 15956 1 340 . 1 1 35 35 ILE C C 13 170.85 0.05 . 1 . . . . 62 ILE C . 15956 1 341 . 1 1 35 35 ILE CA C 13 59.26 0.05 . 1 . . . . 62 ILE CA . 15956 1 342 . 1 1 35 35 ILE CB C 13 43.66 0.05 . 1 . . . . 62 ILE CB . 15956 1 343 . 1 1 35 35 ILE CD1 C 13 14.67 0.05 . 1 . . . . 62 ILE CD1 . 15956 1 344 . 1 1 35 35 ILE CG1 C 13 28.92 0.05 . 1 . . . . 62 ILE CG1 . 15956 1 345 . 1 1 35 35 ILE CG2 C 13 17.22 0.05 . 1 . . . . 62 ILE CG2 . 15956 1 346 . 1 1 35 35 ILE N N 15 120.63 0.05 . 1 . . . . 62 ILE N . 15956 1 347 . 1 1 36 36 ILE H H 1 8.50 0.02 . 1 . . . . 63 ILE H . 15956 1 348 . 1 1 36 36 ILE HA H 1 5.24 0.02 . 1 . . . . 63 ILE HA . 15956 1 349 . 1 1 36 36 ILE HB H 1 1.50 0.02 . 1 . . . . 63 ILE HB . 15956 1 350 . 1 1 36 36 ILE HD11 H 1 0.80 0.02 . 1 . . . . 63 ILE HD1 . 15956 1 351 . 1 1 36 36 ILE HD12 H 1 0.80 0.02 . 1 . . . . 63 ILE HD1 . 15956 1 352 . 1 1 36 36 ILE HD13 H 1 0.80 0.02 . 1 . . . . 63 ILE HD1 . 15956 1 353 . 1 1 36 36 ILE HG12 H 1 0.81 0.02 . 1 . . . . 63 ILE HG12 . 15956 1 354 . 1 1 36 36 ILE HG13 H 1 1.46 0.02 . 1 . . . . 63 ILE HG13 . 15956 1 355 . 1 1 36 36 ILE HG21 H 1 0.73 0.02 . 1 . . . . 63 ILE HG2 . 15956 1 356 . 1 1 36 36 ILE HG22 H 1 0.73 0.02 . 1 . . . . 63 ILE HG2 . 15956 1 357 . 1 1 36 36 ILE HG23 H 1 0.73 0.02 . 1 . . . . 63 ILE HG2 . 15956 1 358 . 1 1 36 36 ILE C C 13 170.51 0.05 . 1 . . . . 63 ILE C . 15956 1 359 . 1 1 36 36 ILE CA C 13 59.13 0.05 . 1 . . . . 63 ILE CA . 15956 1 360 . 1 1 36 36 ILE CB C 13 41.67 0.05 . 1 . . . . 63 ILE CB . 15956 1 361 . 1 1 36 36 ILE CD1 C 13 14.38 0.05 . 1 . . . . 63 ILE CD1 . 15956 1 362 . 1 1 36 36 ILE CG1 C 13 29.18 0.05 . 1 . . . . 63 ILE CG1 . 15956 1 363 . 1 1 36 36 ILE CG2 C 13 17.00 0.05 . 1 . . . . 63 ILE CG2 . 15956 1 364 . 1 1 36 36 ILE N N 15 125.83 0.05 . 1 . . . . 63 ILE N . 15956 1 365 . 1 1 37 37 GLU H H 1 8.45 0.02 . 1 . . . . 64 GLU H . 15956 1 366 . 1 1 37 37 GLU HA H 1 5.01 0.02 . 1 . . . . 64 GLU HA . 15956 1 367 . 1 1 37 37 GLU HB2 H 1 1.84 0.02 . 1 . . . . 64 GLU HB2 . 15956 1 368 . 1 1 37 37 GLU HB3 H 1 1.88 0.02 . 1 . . . . 64 GLU HB3 . 15956 1 369 . 1 1 37 37 GLU HG2 H 1 2.05 0.02 . 2 . . . . 64 GLU HG2 . 15956 1 370 . 1 1 37 37 GLU HG3 H 1 2.02 0.02 . 2 . . . . 64 GLU HG3 . 15956 1 371 . 1 1 37 37 GLU C C 13 171.41 0.05 . 1 . . . . 64 GLU C . 15956 1 372 . 1 1 37 37 GLU CA C 13 54.83 0.05 . 1 . . . . 64 GLU CA . 15956 1 373 . 1 1 37 37 GLU CB C 13 34.32 0.05 . 1 . . . . 64 GLU CB . 15956 1 374 . 1 1 37 37 GLU CG C 13 36.76 0.05 . 1 . . . . 64 GLU CG . 15956 1 375 . 1 1 37 37 GLU N N 15 124.57 0.05 . 1 . . . . 64 GLU N . 15956 1 376 . 1 1 38 38 GLU H H 1 8.30 0.02 . 1 . . . . 65 GLU H . 15956 1 377 . 1 1 38 38 GLU HA H 1 5.04 0.02 . 1 . . . . 65 GLU HA . 15956 1 378 . 1 1 38 38 GLU HB2 H 1 1.76 0.02 . 1 . . . . 65 GLU HB2 . 15956 1 379 . 1 1 38 38 GLU HB3 H 1 1.97 0.02 . 1 . . . . 65 GLU HB3 . 15956 1 380 . 1 1 38 38 GLU HG2 H 1 1.91 0.02 . 1 . . . . 65 GLU HG2 . 15956 1 381 . 1 1 38 38 GLU HG3 H 1 2.42 0.02 . 1 . . . . 65 GLU HG3 . 15956 1 382 . 1 1 38 38 GLU C C 13 172.92 0.05 . 1 . . . . 65 GLU C . 15956 1 383 . 1 1 38 38 GLU CA C 13 54.76 0.05 . 1 . . . . 65 GLU CA . 15956 1 384 . 1 1 38 38 GLU CB C 13 33.47 0.05 . 1 . . . . 65 GLU CB . 15956 1 385 . 1 1 38 38 GLU CG C 13 36.52 0.05 . 1 . . . . 65 GLU CG . 15956 1 386 . 1 1 38 38 GLU N N 15 123.96 0.05 . 1 . . . . 65 GLU N . 15956 1 387 . 1 1 39 39 ASP H H 1 8.47 0.02 . 1 . . . . 66 ASP H . 15956 1 388 . 1 1 39 39 ASP HA H 1 4.75 0.02 . 1 . . . . 66 ASP HA . 15956 1 389 . 1 1 39 39 ASP HB2 H 1 3.21 0.02 . 1 . . . . 66 ASP HB2 . 15956 1 390 . 1 1 39 39 ASP HB3 H 1 2.64 0.02 . 1 . . . . 66 ASP HB3 . 15956 1 391 . 1 1 39 39 ASP C C 13 174.94 0.05 . 1 . . . . 66 ASP C . 15956 1 392 . 1 1 39 39 ASP CA C 13 52.89 0.05 . 1 . . . . 66 ASP CA . 15956 1 393 . 1 1 39 39 ASP CB C 13 41.99 0.05 . 1 . . . . 66 ASP CB . 15956 1 394 . 1 1 39 39 ASP N N 15 124.87 0.05 . 1 . . . . 66 ASP N . 15956 1 395 . 1 1 40 40 ASP H H 1 8.38 0.02 . 1 . . . . 67 ASP H . 15956 1 396 . 1 1 40 40 ASP HA H 1 4.31 0.02 . 1 . . . . 67 ASP HA . 15956 1 397 . 1 1 40 40 ASP HB2 H 1 2.64 0.02 . 1 . . . . 67 ASP HB2 . 15956 1 398 . 1 1 40 40 ASP HB3 H 1 2.64 0.02 . 1 . . . . 67 ASP HB3 . 15956 1 399 . 1 1 40 40 ASP C C 13 174.21 0.05 . 1 . . . . 67 ASP C . 15956 1 400 . 1 1 40 40 ASP CA C 13 56.35 0.05 . 1 . . . . 67 ASP CA . 15956 1 401 . 1 1 40 40 ASP CB C 13 40.51 0.05 . 1 . . . . 67 ASP CB . 15956 1 402 . 1 1 40 40 ASP N N 15 116.22 0.05 . 1 . . . . 67 ASP N . 15956 1 403 . 1 1 41 41 GLN H H 1 8.20 0.02 . 1 . . . . 68 GLN H . 15956 1 404 . 1 1 41 41 GLN HA H 1 4.38 0.02 . 1 . . . . 68 GLN HA . 15956 1 405 . 1 1 41 41 GLN HB2 H 1 2.06 0.02 . 1 . . . . 68 GLN HB2 . 15956 1 406 . 1 1 41 41 GLN HB3 H 1 2.28 0.02 . 1 . . . . 68 GLN HB3 . 15956 1 407 . 1 1 41 41 GLN HE21 H 1 6.70 0.02 . 2 . . . . 68 GLN HE21 . 15956 1 408 . 1 1 41 41 GLN HE22 H 1 7.51 0.02 . 2 . . . . 68 GLN HE22 . 15956 1 409 . 1 1 41 41 GLN HG2 H 1 2.28 0.02 . 1 . . . . 68 GLN HG2 . 15956 1 410 . 1 1 41 41 GLN HG3 H 1 2.28 0.02 . 1 . . . . 68 GLN HG3 . 15956 1 411 . 1 1 41 41 GLN C C 13 173.74 0.05 . 1 . . . . 68 GLN C . 15956 1 412 . 1 1 41 41 GLN CA C 13 55.59 0.05 . 1 . . . . 68 GLN CA . 15956 1 413 . 1 1 41 41 GLN CB C 13 29.78 0.05 . 1 . . . . 68 GLN CB . 15956 1 414 . 1 1 41 41 GLN CG C 13 34.70 0.05 . 1 . . . . 68 GLN CG . 15956 1 415 . 1 1 41 41 GLN N N 15 117.19 0.05 . 1 . . . . 68 GLN N . 15956 1 416 . 1 1 41 41 GLN NE2 N 15 112.70 0.05 . 1 . . . . 68 GLN NE2 . 15956 1 417 . 1 1 42 42 GLY H H 1 8.00 0.02 . 1 . . . . 69 GLY H . 15956 1 418 . 1 1 42 42 GLY HA2 H 1 3.63 0.02 . 1 . . . . 69 GLY HA2 . 15956 1 419 . 1 1 42 42 GLY HA3 H 1 4.14 0.02 . 1 . . . . 69 GLY HA3 . 15956 1 420 . 1 1 42 42 GLY C C 13 171.65 0.05 . 1 . . . . 69 GLY C . 15956 1 421 . 1 1 42 42 GLY CA C 13 45.73 0.05 . 1 . . . . 69 GLY CA . 15956 1 422 . 1 1 42 42 GLY N N 15 108.13 0.05 . 1 . . . . 69 GLY N . 15956 1 423 . 1 1 43 43 GLU H H 1 8.41 0.02 . 1 . . . . 70 GLU H . 15956 1 424 . 1 1 43 43 GLU HA H 1 4.45 0.02 . 1 . . . . 70 GLU HA . 15956 1 425 . 1 1 43 43 GLU HB2 H 1 2.03 0.02 . 2 . . . . 70 GLU HB2 . 15956 1 426 . 1 1 43 43 GLU HB3 H 1 1.99 0.02 . 2 . . . . 70 GLU HB3 . 15956 1 427 . 1 1 43 43 GLU HG2 H 1 2.22 0.02 . 2 . . . . 70 GLU HG2 . 15956 1 428 . 1 1 43 43 GLU HG3 H 1 2.07 0.02 . 2 . . . . 70 GLU HG3 . 15956 1 429 . 1 1 43 43 GLU C C 13 173.97 0.05 . 1 . . . . 70 GLU C . 15956 1 430 . 1 1 43 43 GLU CA C 13 56.02 0.05 . 1 . . . . 70 GLU CA . 15956 1 431 . 1 1 43 43 GLU CB C 13 30.30 0.05 . 1 . . . . 70 GLU CB . 15956 1 432 . 1 1 43 43 GLU CG C 13 36.43 0.05 . 1 . . . . 70 GLU CG . 15956 1 433 . 1 1 43 43 GLU N N 15 122.30 0.05 . 1 . . . . 70 GLU N . 15956 1 434 . 1 1 44 44 THR H H 1 8.62 0.02 . 1 . . . . 71 THR H . 15956 1 435 . 1 1 44 44 THR HA H 1 5.21 0.02 . 1 . . . . 71 THR HA . 15956 1 436 . 1 1 44 44 THR HB H 1 3.91 0.02 . 1 . . . . 71 THR HB . 15956 1 437 . 1 1 44 44 THR HG21 H 1 1.04 0.02 . 1 . . . . 71 THR HG2 . 15956 1 438 . 1 1 44 44 THR HG22 H 1 1.04 0.02 . 1 . . . . 71 THR HG2 . 15956 1 439 . 1 1 44 44 THR HG23 H 1 1.04 0.02 . 1 . . . . 71 THR HG2 . 15956 1 440 . 1 1 44 44 THR C C 13 172.16 0.05 . 1 . . . . 71 THR C . 15956 1 441 . 1 1 44 44 THR CA C 13 61.60 0.05 . 1 . . . . 71 THR CA . 15956 1 442 . 1 1 44 44 THR CB C 13 71.00 0.05 . 1 . . . . 71 THR CB . 15956 1 443 . 1 1 44 44 THR CG2 C 13 22.35 0.05 . 1 . . . . 71 THR CG2 . 15956 1 444 . 1 1 44 44 THR N N 15 117.33 0.05 . 1 . . . . 71 THR N . 15956 1 445 . 1 1 45 45 THR H H 1 8.76 0.02 . 1 . . . . 72 THR H . 15956 1 446 . 1 1 45 45 THR HA H 1 4.50 0.02 . 1 . . . . 72 THR HA . 15956 1 447 . 1 1 45 45 THR HB H 1 3.96 0.02 . 1 . . . . 72 THR HB . 15956 1 448 . 1 1 45 45 THR HG21 H 1 1.09 0.02 . 1 . . . . 72 THR HG2 . 15956 1 449 . 1 1 45 45 THR HG22 H 1 1.09 0.02 . 1 . . . . 72 THR HG2 . 15956 1 450 . 1 1 45 45 THR HG23 H 1 1.09 0.02 . 1 . . . . 72 THR HG2 . 15956 1 451 . 1 1 45 45 THR C C 13 169.60 0.05 . 1 . . . . 72 THR C . 15956 1 452 . 1 1 45 45 THR CA C 13 61.27 0.05 . 1 . . . . 72 THR CA . 15956 1 453 . 1 1 45 45 THR CB C 13 72.32 0.05 . 1 . . . . 72 THR CB . 15956 1 454 . 1 1 45 45 THR CG2 C 13 21.83 0.05 . 1 . . . . 72 THR CG2 . 15956 1 455 . 1 1 45 45 THR N N 15 117.84 0.05 . 1 . . . . 72 THR N . 15956 1 456 . 1 1 46 46 LEU H H 1 8.40 0.02 . 1 . . . . 73 LEU H . 15956 1 457 . 1 1 46 46 LEU HA H 1 5.25 0.02 . 1 . . . . 73 LEU HA . 15956 1 458 . 1 1 46 46 LEU HB2 H 1 1.42 0.02 . 1 . . . . 73 LEU HB2 . 15956 1 459 . 1 1 46 46 LEU HB3 H 1 1.65 0.02 . 1 . . . . 73 LEU HB3 . 15956 1 460 . 1 1 46 46 LEU HD21 H 1 0.85 0.02 . 2 . . . . 73 LEU HD2 . 15956 1 461 . 1 1 46 46 LEU HD22 H 1 0.85 0.02 . 2 . . . . 73 LEU HD2 . 15956 1 462 . 1 1 46 46 LEU HD23 H 1 0.85 0.02 . 2 . . . . 73 LEU HD2 . 15956 1 463 . 1 1 46 46 LEU HG H 1 1.52 0.02 . 1 . . . . 73 LEU HG . 15956 1 464 . 1 1 46 46 LEU C C 13 173.15 0.05 . 1 . . . . 73 LEU C . 15956 1 465 . 1 1 46 46 LEU CA C 13 54.30 0.05 . 1 . . . . 73 LEU CA . 15956 1 466 . 1 1 46 46 LEU CB C 13 44.86 0.05 . 1 . . . . 73 LEU CB . 15956 1 467 . 1 1 46 46 LEU CD1 C 13 25.40 0.05 . 2 . . . . 73 LEU CD1 . 15956 1 468 . 1 1 46 46 LEU CD2 C 13 25.00 0.05 . 2 . . . . 73 LEU CD2 . 15956 1 469 . 1 1 46 46 LEU CG C 13 28.05 0.05 . 1 . . . . 73 LEU CG . 15956 1 470 . 1 1 46 46 LEU N N 15 126.02 0.05 . 1 . . . . 73 LEU N . 15956 1 471 . 1 1 47 47 ALA HA H 1 4.76 0.02 . 1 . . . . 74 ALA HA . 15956 1 472 . 1 1 47 47 ALA HB1 H 1 1.44 0.02 . 1 . . . . 74 ALA HB . 15956 1 473 . 1 1 47 47 ALA HB2 H 1 1.44 0.02 . 1 . . . . 74 ALA HB . 15956 1 474 . 1 1 47 47 ALA HB3 H 1 1.44 0.02 . 1 . . . . 74 ALA HB . 15956 1 475 . 1 1 47 47 ALA C C 13 172.74 0.05 . 1 . . . . 74 ALA C . 15956 1 476 . 1 1 47 47 ALA CA C 13 51.44 0.05 . 1 . . . . 74 ALA CA . 15956 1 477 . 1 1 47 47 ALA CB C 13 23.35 0.05 . 1 . . . . 74 ALA CB . 15956 1 478 . 1 1 48 48 SER H H 1 8.70 0.02 . 1 . . . . 75 SER H . 15956 1 479 . 1 1 48 48 SER HA H 1 4.50 0.02 . 1 . . . . 75 SER HA . 15956 1 480 . 1 1 48 48 SER HB2 H 1 3.58 0.02 . 1 . . . . 75 SER HB2 . 15956 1 481 . 1 1 48 48 SER HB3 H 1 3.86 0.02 . 1 . . . . 75 SER HB3 . 15956 1 482 . 1 1 48 48 SER C C 13 171.59 0.05 . 1 . . . . 75 SER C . 15956 1 483 . 1 1 48 48 SER CA C 13 57.74 0.05 . 1 . . . . 75 SER CA . 15956 1 484 . 1 1 48 48 SER CB C 13 65.70 0.05 . 1 . . . . 75 SER CB . 15956 1 485 . 1 1 48 48 SER N N 15 111.40 0.05 . 1 . . . . 75 SER N . 15956 1 486 . 1 1 49 49 GLY H H 1 6.44 0.02 . 1 . . . . 76 GLY H . 15956 1 487 . 1 1 49 49 GLY HA2 H 1 3.85 0.02 . 1 . . . . 76 GLY HA2 . 15956 1 488 . 1 1 49 49 GLY HA3 H 1 3.73 0.02 . 1 . . . . 76 GLY HA3 . 15956 1 489 . 1 1 49 49 GLY C C 13 167.89 0.05 . 1 . . . . 76 GLY C . 15956 1 490 . 1 1 49 49 GLY CA C 13 47.42 0.05 . 1 . . . . 76 GLY CA . 15956 1 491 . 1 1 49 49 GLY N N 15 105.48 0.05 . 1 . . . . 76 GLY N . 15956 1 492 . 1 1 50 50 CYS H H 1 8.74 0.02 . 1 . . . . 77 CYS H . 15956 1 493 . 1 1 50 50 CYS HA H 1 4.95 0.02 . 1 . . . . 77 CYS HA . 15956 1 494 . 1 1 50 50 CYS HB2 H 1 3.08 0.02 . 1 . . . . 77 CYS HB2 . 15956 1 495 . 1 1 50 50 CYS HB3 H 1 2.77 0.02 . 1 . . . . 77 CYS HB3 . 15956 1 496 . 1 1 50 50 CYS C C 13 170.67 0.05 . 1 . . . . 77 CYS C . 15956 1 497 . 1 1 50 50 CYS CA C 13 60.03 0.05 . 1 . . . . 77 CYS CA . 15956 1 498 . 1 1 50 50 CYS CB C 13 46.10 0.05 . 1 . . . . 77 CYS CB . 15956 1 499 . 1 1 50 50 CYS N N 15 118.96 0.05 . 1 . . . . 77 CYS N . 15956 1 500 . 1 1 51 51 MET H H 1 9.24 0.02 . 1 . . . . 78 MET H . 15956 1 501 . 1 1 51 51 MET HA H 1 4.76 0.02 . 1 . . . . 78 MET HA . 15956 1 502 . 1 1 51 51 MET HB2 H 1 1.68 0.02 . 1 . . . . 78 MET HB2 . 15956 1 503 . 1 1 51 51 MET HB3 H 1 1.88 0.02 . 1 . . . . 78 MET HB3 . 15956 1 504 . 1 1 51 51 MET HE1 H 1 1.48 0.02 . 1 . . . . 78 MET HE . 15956 1 505 . 1 1 51 51 MET HE2 H 1 1.48 0.02 . 1 . . . . 78 MET HE . 15956 1 506 . 1 1 51 51 MET HE3 H 1 1.48 0.02 . 1 . . . . 78 MET HE . 15956 1 507 . 1 1 51 51 MET HG2 H 1 2.38 0.02 . 1 . . . . 78 MET HG2 . 15956 1 508 . 1 1 51 51 MET HG3 H 1 2.38 0.02 . 1 . . . . 78 MET HG3 . 15956 1 509 . 1 1 51 51 MET C C 13 171.99 0.05 . 1 . . . . 78 MET C . 15956 1 510 . 1 1 51 51 MET CA C 13 54.63 0.05 . 1 . . . . 78 MET CA . 15956 1 511 . 1 1 51 51 MET CB C 13 35.81 0.05 . 1 . . . . 78 MET CB . 15956 1 512 . 1 1 51 51 MET CE C 13 16.96 0.05 . 1 . . . . 78 MET CE . 15956 1 513 . 1 1 51 51 MET CG C 13 31.84 0.05 . 1 . . . . 78 MET CG . 15956 1 514 . 1 1 51 51 MET N N 15 122.34 0.05 . 1 . . . . 78 MET N . 15956 1 515 . 1 1 52 52 LYS H H 1 8.43 0.02 . 1 . . . . 79 LYS H . 15956 1 516 . 1 1 52 52 LYS HA H 1 4.16 0.02 . 1 . . . . 79 LYS HA . 15956 1 517 . 1 1 52 52 LYS HB2 H 1 1.81 0.02 . 1 . . . . 79 LYS HB2 . 15956 1 518 . 1 1 52 52 LYS HB3 H 1 1.81 0.02 . 1 . . . . 79 LYS HB3 . 15956 1 519 . 1 1 52 52 LYS HD2 H 1 1.66 0.02 . 1 . . . . 79 LYS HD2 . 15956 1 520 . 1 1 52 52 LYS HD3 H 1 1.66 0.02 . 1 . . . . 79 LYS HD3 . 15956 1 521 . 1 1 52 52 LYS HE2 H 1 2.96 0.02 . 1 . . . . 79 LYS HE2 . 15956 1 522 . 1 1 52 52 LYS HE3 H 1 2.96 0.02 . 1 . . . . 79 LYS HE3 . 15956 1 523 . 1 1 52 52 LYS HG2 H 1 1.42 0.02 . 1 . . . . 79 LYS HG2 . 15956 1 524 . 1 1 52 52 LYS HG3 H 1 1.42 0.02 . 1 . . . . 79 LYS HG3 . 15956 1 525 . 1 1 52 52 LYS C C 13 173.04 0.05 . 1 . . . . 79 LYS C . 15956 1 526 . 1 1 52 52 LYS CA C 13 57.12 0.05 . 1 . . . . 79 LYS CA . 15956 1 527 . 1 1 52 52 LYS CB C 13 33.72 0.05 . 1 . . . . 79 LYS CB . 15956 1 528 . 1 1 52 52 LYS CD C 13 29.74 0.05 . 1 . . . . 79 LYS CD . 15956 1 529 . 1 1 52 52 LYS CE C 13 42.45 0.05 . 1 . . . . 79 LYS CE . 15956 1 530 . 1 1 52 52 LYS CG C 13 24.75 0.05 . 1 . . . . 79 LYS CG . 15956 1 531 . 1 1 52 52 LYS N N 15 125.03 0.05 . 1 . . . . 79 LYS N . 15956 1 532 . 1 1 53 53 TYR H H 1 8.40 0.02 . 1 . . . . 80 TYR H . 15956 1 533 . 1 1 53 53 TYR HA H 1 4.20 0.02 . 1 . . . . 80 TYR HA . 15956 1 534 . 1 1 53 53 TYR HB2 H 1 2.72 0.02 . 1 . . . . 80 TYR HB2 . 15956 1 535 . 1 1 53 53 TYR HB3 H 1 2.72 0.02 . 1 . . . . 80 TYR HB3 . 15956 1 536 . 1 1 53 53 TYR C C 13 173.37 0.05 . 1 . . . . 80 TYR C . 15956 1 537 . 1 1 53 53 TYR CA C 13 59.91 0.05 . 1 . . . . 80 TYR CA . 15956 1 538 . 1 1 53 53 TYR CB C 13 39.00 0.05 . 1 . . . . 80 TYR CB . 15956 1 539 . 1 1 53 53 TYR N N 15 121.42 0.05 . 1 . . . . 80 TYR N . 15956 1 540 . 1 1 54 54 GLU H H 1 8.49 0.02 . 1 . . . . 81 GLU H . 15956 1 541 . 1 1 54 54 GLU HA H 1 4.17 0.02 . 1 . . . . 81 GLU HA . 15956 1 542 . 1 1 54 54 GLU HB2 H 1 1.94 0.02 . 2 . . . . 81 GLU HB2 . 15956 1 543 . 1 1 54 54 GLU HB3 H 1 1.72 0.02 . 2 . . . . 81 GLU HB3 . 15956 1 544 . 1 1 54 54 GLU HG3 H 1 2.06 0.02 . 2 . . . . 81 GLU HG3 . 15956 1 545 . 1 1 54 54 GLU C C 13 173.24 0.05 . 1 . . . . 81 GLU C . 15956 1 546 . 1 1 54 54 GLU CA C 13 56.44 0.05 . 1 . . . . 81 GLU CA . 15956 1 547 . 1 1 54 54 GLU CB C 13 30.86 0.05 . 1 . . . . 81 GLU CB . 15956 1 548 . 1 1 54 54 GLU CG C 13 36.21 0.05 . 1 . . . . 81 GLU CG . 15956 1 549 . 1 1 54 54 GLU N N 15 123.79 0.05 . 1 . . . . 81 GLU N . 15956 1 550 . 1 1 55 55 GLY H H 1 7.20 0.02 . 1 . . . . 82 GLY H . 15956 1 551 . 1 1 55 55 GLY HA2 H 1 4.05 0.02 . 2 . . . . 82 GLY HA2 . 15956 1 552 . 1 1 55 55 GLY HA3 H 1 3.69 0.02 . 2 . . . . 82 GLY HA3 . 15956 1 553 . 1 1 55 55 GLY C C 13 171.52 0.05 . 1 . . . . 82 GLY C . 15956 1 554 . 1 1 55 55 GLY CA C 13 45.68 0.05 . 1 . . . . 82 GLY CA . 15956 1 555 . 1 1 55 55 GLY N N 15 108.40 0.05 . 1 . . . . 82 GLY N . 15956 1 556 . 1 1 56 56 SER H H 1 8.14 0.02 . 1 . . . . 83 SER H . 15956 1 557 . 1 1 56 56 SER HA H 1 4.28 0.02 . 1 . . . . 83 SER HA . 15956 1 558 . 1 1 56 56 SER HB2 H 1 3.78 0.02 . 1 . . . . 83 SER HB2 . 15956 1 559 . 1 1 56 56 SER HB3 H 1 3.78 0.02 . 1 . . . . 83 SER HB3 . 15956 1 560 . 1 1 56 56 SER C C 13 171.90 0.05 . 1 . . . . 83 SER C . 15956 1 561 . 1 1 56 56 SER CA C 13 59.27 0.05 . 1 . . . . 83 SER CA . 15956 1 562 . 1 1 56 56 SER CB C 13 63.96 0.05 . 1 . . . . 83 SER CB . 15956 1 563 . 1 1 56 56 SER N N 15 114.65 0.05 . 1 . . . . 83 SER N . 15956 1 564 . 1 1 57 57 ASP H H 1 8.34 0.02 . 1 . . . . 84 ASP H . 15956 1 565 . 1 1 57 57 ASP HA H 1 4.43 0.02 . 1 . . . . 84 ASP HA . 15956 1 566 . 1 1 57 57 ASP HB2 H 1 2.48 0.02 . 2 . . . . 84 ASP HB2 . 15956 1 567 . 1 1 57 57 ASP HB3 H 1 2.41 0.02 . 2 . . . . 84 ASP HB3 . 15956 1 568 . 1 1 57 57 ASP C C 13 173.10 0.05 . 1 . . . . 84 ASP C . 15956 1 569 . 1 1 57 57 ASP CA C 13 54.95 0.05 . 1 . . . . 84 ASP CA . 15956 1 570 . 1 1 57 57 ASP CB C 13 40.84 0.05 . 1 . . . . 84 ASP CB . 15956 1 571 . 1 1 57 57 ASP N N 15 121.23 0.05 . 1 . . . . 84 ASP N . 15956 1 572 . 1 1 58 58 PHE H H 1 7.73 0.02 . 1 . . . . 85 PHE H . 15956 1 573 . 1 1 58 58 PHE HA H 1 4.26 0.02 . 1 . . . . 85 PHE HA . 15956 1 574 . 1 1 58 58 PHE HB2 H 1 2.78 0.02 . 1 . . . . 85 PHE HB2 . 15956 1 575 . 1 1 58 58 PHE HB3 H 1 2.78 0.02 . 1 . . . . 85 PHE HB3 . 15956 1 576 . 1 1 58 58 PHE HD1 H 1 6.90 0.02 . 1 . . . . 85 PHE HD1 . 15956 1 577 . 1 1 58 58 PHE HD2 H 1 6.90 0.02 . 1 . . . . 85 PHE HD2 . 15956 1 578 . 1 1 58 58 PHE HE1 H 1 7.00 0.02 . 1 . . . . 85 PHE HE1 . 15956 1 579 . 1 1 58 58 PHE HE2 H 1 7.00 0.02 . 1 . . . . 85 PHE HE2 . 15956 1 580 . 1 1 58 58 PHE HZ H 1 6.96 0.02 . 1 . . . . 85 PHE HZ . 15956 1 581 . 1 1 58 58 PHE C C 13 172.59 0.05 . 1 . . . . 85 PHE C . 15956 1 582 . 1 1 58 58 PHE CA C 13 58.52 0.05 . 1 . . . . 85 PHE CA . 15956 1 583 . 1 1 58 58 PHE CB C 13 39.84 0.05 . 1 . . . . 85 PHE CB . 15956 1 584 . 1 1 58 58 PHE N N 15 118.92 0.05 . 1 . . . . 85 PHE N . 15956 1 585 . 1 1 59 59 GLN H H 1 7.79 0.02 . 1 . . . . 86 GLN H . 15956 1 586 . 1 1 59 59 GLN HA H 1 4.07 0.02 . 1 . . . . 86 GLN HA . 15956 1 587 . 1 1 59 59 GLN HB2 H 1 1.67 0.02 . 1 . . . . 86 GLN HB2 . 15956 1 588 . 1 1 59 59 GLN HB3 H 1 1.84 0.02 . 1 . . . . 86 GLN HB3 . 15956 1 589 . 1 1 59 59 GLN HE21 H 1 6.66 0.02 . 2 . . . . 86 GLN HE21 . 15956 1 590 . 1 1 59 59 GLN HE22 H 1 7.37 0.02 . 2 . . . . 86 GLN HE22 . 15956 1 591 . 1 1 59 59 GLN HG2 H 1 2.12 0.02 . 1 . . . . 86 GLN HG2 . 15956 1 592 . 1 1 59 59 GLN HG3 H 1 2.12 0.02 . 1 . . . . 86 GLN HG3 . 15956 1 593 . 1 1 59 59 GLN C C 13 172.55 0.05 . 1 . . . . 86 GLN C . 15956 1 594 . 1 1 59 59 GLN CA C 13 56.00 0.05 . 1 . . . . 86 GLN CA . 15956 1 595 . 1 1 59 59 GLN CB C 13 30.60 0.05 . 1 . . . . 86 GLN CB . 15956 1 596 . 1 1 59 59 GLN CG C 13 33.93 0.05 . 1 . . . . 86 GLN CG . 15956 1 597 . 1 1 59 59 GLN N N 15 120.28 0.05 . 1 . . . . 86 GLN N . 15956 1 598 . 1 1 59 59 GLN NE2 N 15 111.94 0.05 . 1 . . . . 86 GLN NE2 . 15956 1 599 . 1 1 60 60 CYS H H 1 8.10 0.02 . 1 . . . . 87 CYS H . 15956 1 600 . 1 1 60 60 CYS HA H 1 4.14 0.02 . 1 . . . . 87 CYS HA . 15956 1 601 . 1 1 60 60 CYS HB2 H 1 2.94 0.02 . 2 . . . . 87 CYS HB2 . 15956 1 602 . 1 1 60 60 CYS HB3 H 1 2.61 0.02 . 2 . . . . 87 CYS HB3 . 15956 1 603 . 1 1 60 60 CYS C C 13 170.91 0.05 . 1 . . . . 87 CYS C . 15956 1 604 . 1 1 60 60 CYS CA C 13 56.81 0.05 . 1 . . . . 87 CYS CA . 15956 1 605 . 1 1 60 60 CYS CB C 13 40.78 0.05 . 1 . . . . 87 CYS CB . 15956 1 606 . 1 1 60 60 CYS N N 15 118.79 0.05 . 1 . . . . 87 CYS N . 15956 1 607 . 1 1 61 61 LYS H H 1 7.61 0.02 . 1 . . . . 88 LYS H . 15956 1 608 . 1 1 61 61 LYS HA H 1 4.28 0.02 . 1 . . . . 88 LYS HA . 15956 1 609 . 1 1 61 61 LYS HB2 H 1 1.67 0.02 . 2 . . . . 88 LYS HB2 . 15956 1 610 . 1 1 61 61 LYS HB3 H 1 1.56 0.02 . 2 . . . . 88 LYS HB3 . 15956 1 611 . 1 1 61 61 LYS HD2 H 1 1.53 0.02 . 1 . . . . 88 LYS HD2 . 15956 1 612 . 1 1 61 61 LYS HD3 H 1 1.53 0.02 . 1 . . . . 88 LYS HD3 . 15956 1 613 . 1 1 61 61 LYS HE2 H 1 2.85 0.02 . 1 . . . . 88 LYS HE2 . 15956 1 614 . 1 1 61 61 LYS HE3 H 1 2.85 0.02 . 1 . . . . 88 LYS HE3 . 15956 1 615 . 1 1 61 61 LYS HG2 H 1 1.21 0.02 . 1 . . . . 88 LYS HG2 . 15956 1 616 . 1 1 61 61 LYS HG3 H 1 1.21 0.02 . 1 . . . . 88 LYS HG3 . 15956 1 617 . 1 1 61 61 LYS C C 13 172.33 0.05 . 1 . . . . 88 LYS C . 15956 1 618 . 1 1 61 61 LYS CA C 13 56.21 0.05 . 1 . . . . 88 LYS CA . 15956 1 619 . 1 1 61 61 LYS CB C 13 34.21 0.05 . 1 . . . . 88 LYS CB . 15956 1 620 . 1 1 61 61 LYS CD C 13 29.39 0.05 . 1 . . . . 88 LYS CD . 15956 1 621 . 1 1 61 61 LYS CE C 13 42.31 0.05 . 1 . . . . 88 LYS CE . 15956 1 622 . 1 1 61 61 LYS CG C 13 24.61 0.05 . 1 . . . . 88 LYS CG . 15956 1 623 . 1 1 61 61 LYS N N 15 120.33 0.05 . 1 . . . . 88 LYS N . 15956 1 624 . 1 1 62 62 ASP H H 1 8.18 0.02 . 1 . . . . 89 ASP H . 15956 1 625 . 1 1 62 62 ASP HA H 1 4.50 0.02 . 1 . . . . 89 ASP HA . 15956 1 626 . 1 1 62 62 ASP HB2 H 1 2.46 0.02 . 1 . . . . 89 ASP HB2 . 15956 1 627 . 1 1 62 62 ASP HB3 H 1 2.46 0.02 . 1 . . . . 89 ASP HB3 . 15956 1 628 . 1 1 62 62 ASP C C 13 172.97 0.05 . 1 . . . . 89 ASP C . 15956 1 629 . 1 1 62 62 ASP CA C 13 54.20 0.05 . 1 . . . . 89 ASP CA . 15956 1 630 . 1 1 62 62 ASP CB C 13 42.09 0.05 . 1 . . . . 89 ASP CB . 15956 1 631 . 1 1 62 62 ASP N N 15 121.19 0.05 . 1 . . . . 89 ASP N . 15956 1 632 . 1 1 63 63 SER H H 1 8.19 0.02 . 1 . . . . 90 SER H . 15956 1 633 . 1 1 63 63 SER HA H 1 4.64 0.02 . 1 . . . . 90 SER HA . 15956 1 634 . 1 1 63 63 SER HB2 H 1 3.74 0.02 . 1 . . . . 90 SER HB2 . 15956 1 635 . 1 1 63 63 SER HB3 H 1 3.74 0.02 . 1 . . . . 90 SER HB3 . 15956 1 636 . 1 1 63 63 SER C C 13 170.24 0.05 . 1 . . . . 90 SER C . 15956 1 637 . 1 1 63 63 SER CA C 13 56.60 0.05 . 1 . . . . 90 SER CA . 15956 1 638 . 1 1 63 63 SER CB C 13 63.77 0.05 . 1 . . . . 90 SER CB . 15956 1 639 . 1 1 63 63 SER N N 15 116.71 0.05 . 1 . . . . 90 SER N . 15956 1 640 . 1 1 64 64 PRO HA H 1 4.35 0.02 . 1 . . . . 91 PRO HA . 15956 1 641 . 1 1 64 64 PRO HB2 H 1 1.85 0.02 . 1 . . . . 91 PRO HB2 . 15956 1 642 . 1 1 64 64 PRO HB3 H 1 2.21 0.02 . 1 . . . . 91 PRO HB3 . 15956 1 643 . 1 1 64 64 PRO HD2 H 1 3.62 0.02 . 1 . . . . 91 PRO HD2 . 15956 1 644 . 1 1 64 64 PRO HD3 H 1 3.69 0.02 . 1 . . . . 91 PRO HD3 . 15956 1 645 . 1 1 64 64 PRO HG2 H 1 1.93 0.02 . 1 . . . . 91 PRO HG2 . 15956 1 646 . 1 1 64 64 PRO HG3 H 1 1.93 0.02 . 1 . . . . 91 PRO HG3 . 15956 1 647 . 1 1 64 64 PRO CA C 13 63.80 0.05 . 1 . . . . 91 PRO CA . 15956 1 648 . 1 1 64 64 PRO CB C 13 32.41 0.05 . 1 . . . . 91 PRO CB . 15956 1 649 . 1 1 64 64 PRO CD C 13 50.98 0.05 . 1 . . . . 91 PRO CD . 15956 1 650 . 1 1 64 64 PRO CG C 13 27.62 0.05 . 1 . . . . 91 PRO CG . 15956 1 651 . 1 1 65 65 LYS H H 1 8.24 0.02 . 1 . . . . 92 LYS H . 15956 1 652 . 1 1 65 65 LYS HA H 1 4.21 0.02 . 1 . . . . 92 LYS HA . 15956 1 653 . 1 1 65 65 LYS HB2 H 1 1.77 0.02 . 2 . . . . 92 LYS HB2 . 15956 1 654 . 1 1 65 65 LYS HB3 H 1 1.64 0.02 . 2 . . . . 92 LYS HB3 . 15956 1 655 . 1 1 65 65 LYS HD2 H 1 1.58 0.02 . 1 . . . . 92 LYS HD2 . 15956 1 656 . 1 1 65 65 LYS HD3 H 1 1.58 0.02 . 1 . . . . 92 LYS HD3 . 15956 1 657 . 1 1 65 65 LYS HE2 H 1 2.89 0.02 . 1 . . . . 92 LYS HE2 . 15956 1 658 . 1 1 65 65 LYS HE3 H 1 2.89 0.02 . 1 . . . . 92 LYS HE3 . 15956 1 659 . 1 1 65 65 LYS HG2 H 1 1.33 0.02 . 1 . . . . 92 LYS HG2 . 15956 1 660 . 1 1 65 65 LYS HG3 H 1 1.33 0.02 . 1 . . . . 92 LYS HG3 . 15956 1 661 . 1 1 65 65 LYS C C 13 173.33 0.05 . 1 . . . . 92 LYS C . 15956 1 662 . 1 1 65 65 LYS CA C 13 56.41 0.05 . 1 . . . . 92 LYS CA . 15956 1 663 . 1 1 65 65 LYS CB C 13 33.23 0.05 . 1 . . . . 92 LYS CB . 15956 1 664 . 1 1 65 65 LYS CD C 13 29.31 0.05 . 1 . . . . 92 LYS CD . 15956 1 665 . 1 1 65 65 LYS CE C 13 42.38 0.05 . 1 . . . . 92 LYS CE . 15956 1 666 . 1 1 65 65 LYS CG C 13 25.08 0.05 . 1 . . . . 92 LYS CG . 15956 1 667 . 1 1 65 65 LYS N N 15 120.18 0.05 . 1 . . . . 92 LYS N . 15956 1 668 . 1 1 66 66 ALA H H 1 8.04 0.02 . 1 . . . . 93 ALA H . 15956 1 669 . 1 1 66 66 ALA HA H 1 4.21 0.02 . 1 . . . . 93 ALA HA . 15956 1 670 . 1 1 66 66 ALA HB1 H 1 1.33 0.02 . 1 . . . . 93 ALA HB . 15956 1 671 . 1 1 66 66 ALA HB2 H 1 1.33 0.02 . 1 . . . . 93 ALA HB . 15956 1 672 . 1 1 66 66 ALA HB3 H 1 1.33 0.02 . 1 . . . . 93 ALA HB . 15956 1 673 . 1 1 66 66 ALA C C 13 174.58 0.05 . 1 . . . . 93 ALA C . 15956 1 674 . 1 1 66 66 ALA CA C 13 53.02 0.05 . 1 . . . . 93 ALA CA . 15956 1 675 . 1 1 66 66 ALA CB C 13 19.76 0.05 . 1 . . . . 93 ALA CB . 15956 1 676 . 1 1 66 66 ALA N N 15 124.05 0.05 . 1 . . . . 93 ALA N . 15956 1 677 . 1 1 67 67 GLN H H 1 8.32 0.02 . 1 . . . . 94 GLN H . 15956 1 678 . 1 1 67 67 GLN HA H 1 4.19 0.02 . 1 . . . . 94 GLN HA . 15956 1 679 . 1 1 67 67 GLN HB2 H 1 1.93 0.02 . 1 . . . . 94 GLN HB2 . 15956 1 680 . 1 1 67 67 GLN HB3 H 1 2.08 0.02 . 1 . . . . 94 GLN HB3 . 15956 1 681 . 1 1 67 67 GLN HE21 H 1 6.78 0.02 . 2 . . . . 94 GLN HE21 . 15956 1 682 . 1 1 67 67 GLN HE22 H 1 7.48 0.02 . 2 . . . . 94 GLN HE22 . 15956 1 683 . 1 1 67 67 GLN HG2 H 1 2.27 0.02 . 1 . . . . 94 GLN HG2 . 15956 1 684 . 1 1 67 67 GLN HG3 H 1 2.27 0.02 . 1 . . . . 94 GLN HG3 . 15956 1 685 . 1 1 67 67 GLN C C 13 172.78 0.05 . 1 . . . . 94 GLN C . 15956 1 686 . 1 1 67 67 GLN CA C 13 56.75 0.05 . 1 . . . . 94 GLN CA . 15956 1 687 . 1 1 67 67 GLN CB C 13 29.10 0.05 . 1 . . . . 94 GLN CB . 15956 1 688 . 1 1 67 67 GLN CG C 13 34.28 0.05 . 1 . . . . 94 GLN CG . 15956 1 689 . 1 1 67 67 GLN N N 15 117.93 0.05 . 1 . . . . 94 GLN N . 15956 1 690 . 1 1 67 67 GLN NE2 N 15 111.90 0.05 . 1 . . . . 94 GLN NE2 . 15956 1 691 . 1 1 68 68 LEU H H 1 7.73 0.02 . 1 . . . . 95 LEU H . 15956 1 692 . 1 1 68 68 LEU HA H 1 4.36 0.02 . 1 . . . . 95 LEU HA . 15956 1 693 . 1 1 68 68 LEU HB2 H 1 1.55 0.02 . 1 . . . . 95 LEU HB2 . 15956 1 694 . 1 1 68 68 LEU HB3 H 1 1.55 0.02 . 1 . . . . 95 LEU HB3 . 15956 1 695 . 1 1 68 68 LEU HD11 H 1 0.78 0.02 . 2 . . . . 95 LEU HD1 . 15956 1 696 . 1 1 68 68 LEU HD12 H 1 0.78 0.02 . 2 . . . . 95 LEU HD1 . 15956 1 697 . 1 1 68 68 LEU HD13 H 1 0.78 0.02 . 2 . . . . 95 LEU HD1 . 15956 1 698 . 1 1 68 68 LEU HD21 H 1 0.81 0.02 . 2 . . . . 95 LEU HD2 . 15956 1 699 . 1 1 68 68 LEU HD22 H 1 0.81 0.02 . 2 . . . . 95 LEU HD2 . 15956 1 700 . 1 1 68 68 LEU HD23 H 1 0.81 0.02 . 2 . . . . 95 LEU HD2 . 15956 1 701 . 1 1 68 68 LEU HG H 1 1.49 0.02 . 1 . . . . 95 LEU HG . 15956 1 702 . 1 1 68 68 LEU C C 13 174.27 0.05 . 1 . . . . 95 LEU C . 15956 1 703 . 1 1 68 68 LEU CA C 13 54.97 0.05 . 1 . . . . 95 LEU CA . 15956 1 704 . 1 1 68 68 LEU CB C 13 43.12 0.05 . 1 . . . . 95 LEU CB . 15956 1 705 . 1 1 68 68 LEU CD1 C 13 23.59 0.05 . 2 . . . . 95 LEU CD1 . 15956 1 706 . 1 1 68 68 LEU CD2 C 13 25.38 0.05 . 2 . . . . 95 LEU CD2 . 15956 1 707 . 1 1 68 68 LEU CG C 13 27.30 0.05 . 1 . . . . 95 LEU CG . 15956 1 708 . 1 1 68 68 LEU N N 15 120.47 0.05 . 1 . . . . 95 LEU N . 15956 1 709 . 1 1 69 69 ARG H H 1 8.60 0.02 . 1 . . . . 96 ARG H . 15956 1 710 . 1 1 69 69 ARG HA H 1 4.23 0.02 . 1 . . . . 96 ARG HA . 15956 1 711 . 1 1 69 69 ARG HB2 H 1 1.79 0.02 . 1 . . . . 96 ARG HB2 . 15956 1 712 . 1 1 69 69 ARG HB3 H 1 1.79 0.02 . 1 . . . . 96 ARG HB3 . 15956 1 713 . 1 1 69 69 ARG HD2 H 1 3.12 0.02 . 2 . . . . 96 ARG HD2 . 15956 1 714 . 1 1 69 69 ARG HD3 H 1 3.08 0.02 . 2 . . . . 96 ARG HD3 . 15956 1 715 . 1 1 69 69 ARG HE H 1 7.15 0.02 . 1 . . . . 96 ARG HE . 15956 1 716 . 1 1 69 69 ARG HG2 H 1 1.66 0.02 . 1 . . . . 96 ARG HG2 . 15956 1 717 . 1 1 69 69 ARG HG3 H 1 1.66 0.02 . 1 . . . . 96 ARG HG3 . 15956 1 718 . 1 1 69 69 ARG C C 13 171.70 0.05 . 1 . . . . 96 ARG C . 15956 1 719 . 1 1 69 69 ARG CA C 13 56.57 0.05 . 1 . . . . 96 ARG CA . 15956 1 720 . 1 1 69 69 ARG CB C 13 30.66 0.05 . 1 . . . . 96 ARG CB . 15956 1 721 . 1 1 69 69 ARG CD C 13 43.81 0.05 . 1 . . . . 96 ARG CD . 15956 1 722 . 1 1 69 69 ARG CG C 13 27.32 0.05 . 1 . . . . 96 ARG CG . 15956 1 723 . 1 1 69 69 ARG N N 15 121.67 0.05 . 1 . . . . 96 ARG N . 15956 1 724 . 1 1 69 69 ARG NE N 15 113.61 0.05 . 1 . . . . 96 ARG NE . 15956 1 725 . 1 1 70 70 ARG H H 1 7.80 0.02 . 1 . . . . 97 ARG H . 15956 1 726 . 1 1 70 70 ARG HA H 1 5.17 0.02 . 1 . . . . 97 ARG HA . 15956 1 727 . 1 1 70 70 ARG HB2 H 1 1.70 0.02 . 1 . . . . 97 ARG HB2 . 15956 1 728 . 1 1 70 70 ARG HB3 H 1 1.70 0.02 . 1 . . . . 97 ARG HB3 . 15956 1 729 . 1 1 70 70 ARG HD2 H 1 3.02 0.02 . 1 . . . . 97 ARG HD2 . 15956 1 730 . 1 1 70 70 ARG HD3 H 1 3.02 0.02 . 1 . . . . 97 ARG HD3 . 15956 1 731 . 1 1 70 70 ARG HE H 1 7.70 0.02 . 1 . . . . 97 ARG HE . 15956 1 732 . 1 1 70 70 ARG HG2 H 1 1.43 0.02 . 1 . . . . 97 ARG HG2 . 15956 1 733 . 1 1 70 70 ARG HG3 H 1 1.43 0.02 . 1 . . . . 97 ARG HG3 . 15956 1 734 . 1 1 70 70 ARG C C 13 172.12 0.05 . 1 . . . . 97 ARG C . 15956 1 735 . 1 1 70 70 ARG CA C 13 55.26 0.05 . 1 . . . . 97 ARG CA . 15956 1 736 . 1 1 70 70 ARG CB C 13 34.04 0.05 . 1 . . . . 97 ARG CB . 15956 1 737 . 1 1 70 70 ARG CD C 13 44.44 0.05 . 1 . . . . 97 ARG CD . 15956 1 738 . 1 1 70 70 ARG CG C 13 26.65 0.05 . 1 . . . . 97 ARG CG . 15956 1 739 . 1 1 70 70 ARG N N 15 120.13 0.05 . 1 . . . . 97 ARG N . 15956 1 740 . 1 1 70 70 ARG NE N 15 114.16 0.05 . 1 . . . . 97 ARG NE . 15956 1 741 . 1 1 71 71 THR H H 1 8.61 0.02 . 1 . . . . 98 THR H . 15956 1 742 . 1 1 71 71 THR HA H 1 4.60 0.02 . 1 . . . . 98 THR HA . 15956 1 743 . 1 1 71 71 THR HB H 1 3.77 0.02 . 1 . . . . 98 THR HB . 15956 1 744 . 1 1 71 71 THR HG21 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 15956 1 745 . 1 1 71 71 THR HG22 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 15956 1 746 . 1 1 71 71 THR HG23 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 15956 1 747 . 1 1 71 71 THR C C 13 169.25 0.05 . 1 . . . . 98 THR C . 15956 1 748 . 1 1 71 71 THR CA C 13 62.03 0.05 . 1 . . . . 98 THR CA . 15956 1 749 . 1 1 71 71 THR CB C 13 71.97 0.05 . 1 . . . . 98 THR CB . 15956 1 750 . 1 1 71 71 THR CG2 C 13 23.33 0.05 . 1 . . . . 98 THR CG2 . 15956 1 751 . 1 1 71 71 THR N N 15 118.55 0.05 . 1 . . . . 98 THR N . 15956 1 752 . 1 1 72 72 ILE H H 1 8.52 0.02 . 1 . . . . 99 ILE H . 15956 1 753 . 1 1 72 72 ILE HA H 1 5.08 0.02 . 1 . . . . 99 ILE HA . 15956 1 754 . 1 1 72 72 ILE HB H 1 1.47 0.02 . 1 . . . . 99 ILE HB . 15956 1 755 . 1 1 72 72 ILE HD11 H 1 0.44 0.02 . 1 . . . . 99 ILE HD1 . 15956 1 756 . 1 1 72 72 ILE HD12 H 1 0.44 0.02 . 1 . . . . 99 ILE HD1 . 15956 1 757 . 1 1 72 72 ILE HD13 H 1 0.44 0.02 . 1 . . . . 99 ILE HD1 . 15956 1 758 . 1 1 72 72 ILE HG12 H 1 1.47 0.02 . 2 . . . . 99 ILE HG12 . 15956 1 759 . 1 1 72 72 ILE HG13 H 1 0.88 0.02 . 2 . . . . 99 ILE HG13 . 15956 1 760 . 1 1 72 72 ILE HG21 H 1 0.74 0.02 . 1 . . . . 99 ILE HG2 . 15956 1 761 . 1 1 72 72 ILE HG22 H 1 0.74 0.02 . 1 . . . . 99 ILE HG2 . 15956 1 762 . 1 1 72 72 ILE HG23 H 1 0.74 0.02 . 1 . . . . 99 ILE HG2 . 15956 1 763 . 1 1 72 72 ILE C C 13 170.93 0.05 . 1 . . . . 99 ILE C . 15956 1 764 . 1 1 72 72 ILE CA C 13 59.37 0.05 . 1 . . . . 99 ILE CA . 15956 1 765 . 1 1 72 72 ILE CB C 13 42.14 0.05 . 1 . . . . 99 ILE CB . 15956 1 766 . 1 1 72 72 ILE CD1 C 13 14.41 0.05 . 1 . . . . 99 ILE CD1 . 15956 1 767 . 1 1 72 72 ILE CG1 C 13 29.27 0.05 . 1 . . . . 99 ILE CG1 . 15956 1 768 . 1 1 72 72 ILE CG2 C 13 16.72 0.05 . 1 . . . . 99 ILE CG2 . 15956 1 769 . 1 1 72 72 ILE N N 15 125.23 0.05 . 1 . . . . 99 ILE N . 15956 1 770 . 1 1 73 73 GLU H H 1 8.86 0.02 . 1 . . . . 100 GLU H . 15956 1 771 . 1 1 73 73 GLU HA H 1 4.67 0.02 . 1 . . . . 100 GLU HA . 15956 1 772 . 1 1 73 73 GLU HB2 H 1 1.68 0.02 . 1 . . . . 100 GLU HB2 . 15956 1 773 . 1 1 73 73 GLU HB3 H 1 1.91 0.02 . 1 . . . . 100 GLU HB3 . 15956 1 774 . 1 1 73 73 GLU HG2 H 1 2.14 0.02 . 1 . . . . 100 GLU HG2 . 15956 1 775 . 1 1 73 73 GLU HG3 H 1 2.14 0.02 . 1 . . . . 100 GLU HG3 . 15956 1 776 . 1 1 73 73 GLU C C 13 172.20 0.05 . 1 . . . . 100 GLU C . 15956 1 777 . 1 1 73 73 GLU CA C 13 55.84 0.05 . 1 . . . . 100 GLU CA . 15956 1 778 . 1 1 73 73 GLU CB C 13 34.41 0.05 . 1 . . . . 100 GLU CB . 15956 1 779 . 1 1 73 73 GLU CG C 13 36.54 0.05 . 1 . . . . 100 GLU CG . 15956 1 780 . 1 1 73 73 GLU N N 15 125.68 0.05 . 1 . . . . 100 GLU N . 15956 1 781 . 1 1 74 74 CYS H H 1 8.83 0.02 . 1 . . . . 101 CYS H . 15956 1 782 . 1 1 74 74 CYS HA H 1 5.79 0.02 . 1 . . . . 101 CYS HA . 15956 1 783 . 1 1 74 74 CYS HB2 H 1 3.05 0.02 . 1 . . . . 101 CYS HB2 . 15956 1 784 . 1 1 74 74 CYS HB3 H 1 3.05 0.02 . 1 . . . . 101 CYS HB3 . 15956 1 785 . 1 1 74 74 CYS C C 13 170.36 0.05 . 1 . . . . 101 CYS C . 15956 1 786 . 1 1 74 74 CYS CA C 13 55.01 0.05 . 1 . . . . 101 CYS CA . 15956 1 787 . 1 1 74 74 CYS CB C 13 45.32 0.05 . 1 . . . . 101 CYS CB . 15956 1 788 . 1 1 74 74 CYS N N 15 119.26 0.05 . 1 . . . . 101 CYS N . 15956 1 789 . 1 1 75 75 CYS H H 1 9.13 0.02 . 1 . . . . 102 CYS H . 15956 1 790 . 1 1 75 75 CYS HA H 1 5.00 0.02 . 1 . . . . 102 CYS HA . 15956 1 791 . 1 1 75 75 CYS HB2 H 1 3.51 0.02 . 1 . . . . 102 CYS HB2 . 15956 1 792 . 1 1 75 75 CYS HB3 H 1 3.40 0.02 . 1 . . . . 102 CYS HB3 . 15956 1 793 . 1 1 75 75 CYS C C 13 170.67 0.05 . 1 . . . . 102 CYS C . 15956 1 794 . 1 1 75 75 CYS CA C 13 56.18 0.05 . 1 . . . . 102 CYS CA . 15956 1 795 . 1 1 75 75 CYS CB C 13 46.09 0.05 . 1 . . . . 102 CYS CB . 15956 1 796 . 1 1 75 75 CYS N N 15 116.46 0.05 . 1 . . . . 102 CYS N . 15956 1 797 . 1 1 76 76 ARG H H 1 9.24 0.02 . 1 . . . . 103 ARG H . 15956 1 798 . 1 1 76 76 ARG HA H 1 4.80 0.02 . 1 . . . . 103 ARG HA . 15956 1 799 . 1 1 76 76 ARG HB2 H 1 2.06 0.02 . 2 . . . . 103 ARG HB2 . 15956 1 800 . 1 1 76 76 ARG HB3 H 1 1.49 0.02 . 2 . . . . 103 ARG HB3 . 15956 1 801 . 1 1 76 76 ARG HD2 H 1 3.03 0.02 . 2 . . . . 103 ARG HD2 . 15956 1 802 . 1 1 76 76 ARG HD3 H 1 2.82 0.02 . 2 . . . . 103 ARG HD3 . 15956 1 803 . 1 1 76 76 ARG HE H 1 6.90 0.02 . 1 . . . . 103 ARG HE . 15956 1 804 . 1 1 76 76 ARG HG2 H 1 1.57 0.02 . 1 . . . . 103 ARG HG2 . 15956 1 805 . 1 1 76 76 ARG HG3 H 1 1.57 0.02 . 1 . . . . 103 ARG HG3 . 15956 1 806 . 1 1 76 76 ARG C C 13 172.12 0.05 . 1 . . . . 103 ARG C . 15956 1 807 . 1 1 76 76 ARG CA C 13 56.23 0.05 . 1 . . . . 103 ARG CA . 15956 1 808 . 1 1 76 76 ARG CB C 13 32.61 0.05 . 1 . . . . 103 ARG CB . 15956 1 809 . 1 1 76 76 ARG CD C 13 44.02 0.05 . 1 . . . . 103 ARG CD . 15956 1 810 . 1 1 76 76 ARG CG C 13 29.76 0.05 . 1 . . . . 103 ARG CG . 15956 1 811 . 1 1 76 76 ARG N N 15 122.52 0.05 . 1 . . . . 103 ARG N . 15956 1 812 . 1 1 76 76 ARG NE N 15 115.10 0.05 . 1 . . . . 103 ARG NE . 15956 1 813 . 1 1 77 77 THR H H 1 7.44 0.02 . 1 . . . . 104 THR H . 15956 1 814 . 1 1 77 77 THR HA H 1 4.60 0.02 . 1 . . . . 104 THR HA . 15956 1 815 . 1 1 77 77 THR HB H 1 4.26 0.02 . 1 . . . . 104 THR HB . 15956 1 816 . 1 1 77 77 THR HG21 H 1 1.12 0.02 . 1 . . . . 104 THR HG2 . 15956 1 817 . 1 1 77 77 THR HG22 H 1 1.12 0.02 . 1 . . . . 104 THR HG2 . 15956 1 818 . 1 1 77 77 THR HG23 H 1 1.12 0.02 . 1 . . . . 104 THR HG2 . 15956 1 819 . 1 1 77 77 THR C C 13 171.89 0.05 . 1 . . . . 104 THR C . 15956 1 820 . 1 1 77 77 THR CA C 13 61.27 0.05 . 1 . . . . 104 THR CA . 15956 1 821 . 1 1 77 77 THR CB C 13 72.49 0.05 . 1 . . . . 104 THR CB . 15956 1 822 . 1 1 77 77 THR CG2 C 13 22.35 0.05 . 1 . . . . 104 THR CG2 . 15956 1 823 . 1 1 77 77 THR N N 15 109.73 0.05 . 1 . . . . 104 THR N . 15956 1 824 . 1 1 78 78 ASN H H 1 8.59 0.02 . 1 . . . . 105 ASN H . 15956 1 825 . 1 1 78 78 ASN HA H 1 4.79 0.02 . 1 . . . . 105 ASN HA . 15956 1 826 . 1 1 78 78 ASN HB2 H 1 2.56 0.02 . 1 . . . . 105 ASN HB2 . 15956 1 827 . 1 1 78 78 ASN HB3 H 1 2.70 0.02 . 1 . . . . 105 ASN HB3 . 15956 1 828 . 1 1 78 78 ASN HD21 H 1 6.99 0.02 . 2 . . . . 105 ASN HD21 . 15956 1 829 . 1 1 78 78 ASN HD22 H 1 7.66 0.02 . 2 . . . . 105 ASN HD22 . 15956 1 830 . 1 1 78 78 ASN C C 13 174.15 0.05 . 1 . . . . 105 ASN C . 15956 1 831 . 1 1 78 78 ASN CA C 13 55.87 0.05 . 1 . . . . 105 ASN CA . 15956 1 832 . 1 1 78 78 ASN CB C 13 39.26 0.05 . 1 . . . . 105 ASN CB . 15956 1 833 . 1 1 78 78 ASN N N 15 119.36 0.05 . 1 . . . . 105 ASN N . 15956 1 834 . 1 1 78 78 ASN ND2 N 15 113.19 0.05 . 1 . . . . 105 ASN ND2 . 15956 1 835 . 1 1 79 79 LEU H H 1 9.98 0.02 . 1 . . . . 106 LEU H . 15956 1 836 . 1 1 79 79 LEU HA H 1 3.68 0.02 . 1 . . . . 106 LEU HA . 15956 1 837 . 1 1 79 79 LEU HB2 H 1 1.92 0.02 . 2 . . . . 106 LEU HB2 . 15956 1 838 . 1 1 79 79 LEU HB3 H 1 1.78 0.02 . 2 . . . . 106 LEU HB3 . 15956 1 839 . 1 1 79 79 LEU HD11 H 1 0.83 0.02 . 1 . . . . 106 LEU HD1 . 15956 1 840 . 1 1 79 79 LEU HD12 H 1 0.83 0.02 . 1 . . . . 106 LEU HD1 . 15956 1 841 . 1 1 79 79 LEU HD13 H 1 0.83 0.02 . 1 . . . . 106 LEU HD1 . 15956 1 842 . 1 1 79 79 LEU HD21 H 1 0.54 0.02 . 1 . . . . 106 LEU HD2 . 15956 1 843 . 1 1 79 79 LEU HD22 H 1 0.54 0.02 . 1 . . . . 106 LEU HD2 . 15956 1 844 . 1 1 79 79 LEU HD23 H 1 0.54 0.02 . 1 . . . . 106 LEU HD2 . 15956 1 845 . 1 1 79 79 LEU HG H 1 1.38 0.02 . 1 . . . . 106 LEU HG . 15956 1 846 . 1 1 79 79 LEU C C 13 175.05 0.05 . 1 . . . . 106 LEU C . 15956 1 847 . 1 1 79 79 LEU CA C 13 56.79 0.05 . 1 . . . . 106 LEU CA . 15956 1 848 . 1 1 79 79 LEU CB C 13 38.92 0.05 . 1 . . . . 106 LEU CB . 15956 1 849 . 1 1 79 79 LEU CD1 C 13 25.48 0.05 . 1 . . . . 106 LEU CD1 . 15956 1 850 . 1 1 79 79 LEU CD2 C 13 22.71 0.05 . 1 . . . . 106 LEU CD2 . 15956 1 851 . 1 1 79 79 LEU CG C 13 27.55 0.05 . 1 . . . . 106 LEU CG . 15956 1 852 . 1 1 79 79 LEU N N 15 118.23 0.05 . 1 . . . . 106 LEU N . 15956 1 853 . 1 1 80 80 CYS H H 1 8.25 0.02 . 1 . . . . 107 CYS H . 15956 1 854 . 1 1 80 80 CYS HA H 1 4.32 0.02 . 1 . . . . 107 CYS HA . 15956 1 855 . 1 1 80 80 CYS HB2 H 1 3.18 0.02 . 1 . . . . 107 CYS HB2 . 15956 1 856 . 1 1 80 80 CYS HB3 H 1 4.02 0.02 . 1 . . . . 107 CYS HB3 . 15956 1 857 . 1 1 80 80 CYS C C 13 172.47 0.05 . 1 . . . . 107 CYS C . 15956 1 858 . 1 1 80 80 CYS CA C 13 58.37 0.05 . 1 . . . . 107 CYS CA . 15956 1 859 . 1 1 80 80 CYS CB C 13 46.09 0.05 . 1 . . . . 107 CYS CB . 15956 1 860 . 1 1 80 80 CYS N N 15 115.46 0.05 . 1 . . . . 107 CYS N . 15956 1 861 . 1 1 81 81 ASN H H 1 8.59 0.02 . 1 . . . . 108 ASN H . 15956 1 862 . 1 1 81 81 ASN HA H 1 4.43 0.02 . 1 . . . . 108 ASN HA . 15956 1 863 . 1 1 81 81 ASN HB2 H 1 2.27 0.02 . 1 . . . . 108 ASN HB2 . 15956 1 864 . 1 1 81 81 ASN HB3 H 1 2.78 0.02 . 1 . . . . 108 ASN HB3 . 15956 1 865 . 1 1 81 81 ASN HD21 H 1 6.79 0.02 . 2 . . . . 108 ASN HD21 . 15956 1 866 . 1 1 81 81 ASN HD22 H 1 7.59 0.02 . 2 . . . . 108 ASN HD22 . 15956 1 867 . 1 1 81 81 ASN C C 13 172.21 0.05 . 1 . . . . 108 ASN C . 15956 1 868 . 1 1 81 81 ASN CA C 13 53.32 0.05 . 1 . . . . 108 ASN CA . 15956 1 869 . 1 1 81 81 ASN CB C 13 37.29 0.05 . 1 . . . . 108 ASN CB . 15956 1 870 . 1 1 81 81 ASN N N 15 118.04 0.05 . 1 . . . . 108 ASN N . 15956 1 871 . 1 1 81 81 ASN ND2 N 15 111.10 0.05 . 1 . . . . 108 ASN ND2 . 15956 1 872 . 1 1 82 82 GLN H H 1 7.49 0.02 . 1 . . . . 109 GLN H . 15956 1 873 . 1 1 82 82 GLN HA H 1 3.38 0.02 . 1 . . . . 109 GLN HA . 15956 1 874 . 1 1 82 82 GLN HB2 H 1 1.57 0.02 . 1 . . . . 109 GLN HB2 . 15956 1 875 . 1 1 82 82 GLN HB3 H 1 1.35 0.02 . 1 . . . . 109 GLN HB3 . 15956 1 876 . 1 1 82 82 GLN HE21 H 1 6.36 0.02 . 2 . . . . 109 GLN HE21 . 15956 1 877 . 1 1 82 82 GLN HE22 H 1 6.75 0.02 . 2 . . . . 109 GLN HE22 . 15956 1 878 . 1 1 82 82 GLN HG2 H 1 1.03 0.02 . 2 . . . . 109 GLN HG2 . 15956 1 879 . 1 1 82 82 GLN HG3 H 1 0.81 0.02 . 2 . . . . 109 GLN HG3 . 15956 1 880 . 1 1 82 82 GLN C C 13 172.30 0.05 . 1 . . . . 109 GLN C . 15956 1 881 . 1 1 82 82 GLN CA C 13 58.94 0.05 . 1 . . . . 109 GLN CA . 15956 1 882 . 1 1 82 82 GLN CB C 13 28.77 0.05 . 1 . . . . 109 GLN CB . 15956 1 883 . 1 1 82 82 GLN CG C 13 32.30 0.05 . 1 . . . . 109 GLN CG . 15956 1 884 . 1 1 82 82 GLN N N 15 121.35 0.05 . 1 . . . . 109 GLN N . 15956 1 885 . 1 1 82 82 GLN NE2 N 15 108.90 0.05 . 1 . . . . 109 GLN NE2 . 15956 1 886 . 1 1 83 83 TYR H H 1 7.83 0.02 . 1 . . . . 110 TYR H . 15956 1 887 . 1 1 83 83 TYR HA H 1 4.59 0.02 . 1 . . . . 110 TYR HA . 15956 1 888 . 1 1 83 83 TYR HB2 H 1 2.51 0.02 . 1 . . . . 110 TYR HB2 . 15956 1 889 . 1 1 83 83 TYR HB3 H 1 3.24 0.02 . 1 . . . . 110 TYR HB3 . 15956 1 890 . 1 1 83 83 TYR HD1 H 1 6.96 0.02 . 1 . . . . 110 TYR HD1 . 15956 1 891 . 1 1 83 83 TYR HD2 H 1 6.96 0.02 . 1 . . . . 110 TYR HD2 . 15956 1 892 . 1 1 83 83 TYR CA C 13 56.49 0.05 . 1 . . . . 110 TYR CA . 15956 1 893 . 1 1 83 83 TYR CB C 13 38.40 0.05 . 1 . . . . 110 TYR CB . 15956 1 894 . 1 1 83 83 TYR N N 15 114.60 0.05 . 1 . . . . 110 TYR N . 15956 1 895 . 1 1 84 84 LEU H H 1 6.61 0.02 . 1 . . . . 111 LEU H . 15956 1 896 . 1 1 84 84 LEU HA H 1 4.17 0.02 . 1 . . . . 111 LEU HA . 15956 1 897 . 1 1 84 84 LEU HB2 H 1 1.46 0.02 . 2 . . . . 111 LEU HB2 . 15956 1 898 . 1 1 84 84 LEU HB3 H 1 1.33 0.02 . 2 . . . . 111 LEU HB3 . 15956 1 899 . 1 1 84 84 LEU HD11 H 1 0.70 0.02 . 2 . . . . 111 LEU HD1 . 15956 1 900 . 1 1 84 84 LEU HD12 H 1 0.70 0.02 . 2 . . . . 111 LEU HD1 . 15956 1 901 . 1 1 84 84 LEU HD13 H 1 0.70 0.02 . 2 . . . . 111 LEU HD1 . 15956 1 902 . 1 1 84 84 LEU HD21 H 1 0.68 0.02 . 2 . . . . 111 LEU HD2 . 15956 1 903 . 1 1 84 84 LEU HD22 H 1 0.68 0.02 . 2 . . . . 111 LEU HD2 . 15956 1 904 . 1 1 84 84 LEU HD23 H 1 0.68 0.02 . 2 . . . . 111 LEU HD2 . 15956 1 905 . 1 1 84 84 LEU C C 13 172.88 0.05 . 1 . . . . 111 LEU C . 15956 1 906 . 1 1 84 84 LEU CA C 13 55.25 0.05 . 1 . . . . 111 LEU CA . 15956 1 907 . 1 1 84 84 LEU CB C 13 43.40 0.05 . 1 . . . . 111 LEU CB . 15956 1 908 . 1 1 84 84 LEU CD1 C 13 23.31 0.05 . 2 . . . . 111 LEU CD1 . 15956 1 909 . 1 1 84 84 LEU CD2 C 13 25.03 0.05 . 2 . . . . 111 LEU CD2 . 15956 1 910 . 1 1 84 84 LEU CG C 13 27.54 0.05 . 1 . . . . 111 LEU CG . 15956 1 911 . 1 1 84 84 LEU N N 15 120.14 0.05 . 1 . . . . 111 LEU N . 15956 1 912 . 1 1 85 85 GLN H H 1 8.78 0.02 . 1 . . . . 112 GLN H . 15956 1 913 . 1 1 85 85 GLN HA H 1 4.57 0.02 . 1 . . . . 112 GLN HA . 15956 1 914 . 1 1 85 85 GLN HB2 H 1 1.92 0.02 . 1 . . . . 112 GLN HB2 . 15956 1 915 . 1 1 85 85 GLN HB3 H 1 1.78 0.02 . 1 . . . . 112 GLN HB3 . 15956 1 916 . 1 1 85 85 GLN HE21 H 1 6.65 0.02 . 2 . . . . 112 GLN HE21 . 15956 1 917 . 1 1 85 85 GLN HE22 H 1 7.37 0.02 . 2 . . . . 112 GLN HE22 . 15956 1 918 . 1 1 85 85 GLN HG2 H 1 2.14 0.02 . 1 . . . . 112 GLN HG2 . 15956 1 919 . 1 1 85 85 GLN HG3 H 1 2.14 0.02 . 1 . . . . 112 GLN HG3 . 15956 1 920 . 1 1 85 85 GLN C C 13 169.48 0.05 . 1 . . . . 112 GLN C . 15956 1 921 . 1 1 85 85 GLN CA C 13 53.11 0.05 . 1 . . . . 112 GLN CA . 15956 1 922 . 1 1 85 85 GLN CB C 13 30.00 0.05 . 1 . . . . 112 GLN CB . 15956 1 923 . 1 1 85 85 GLN CG C 13 33.85 0.05 . 1 . . . . 112 GLN CG . 15956 1 924 . 1 1 85 85 GLN N N 15 122.79 0.05 . 1 . . . . 112 GLN N . 15956 1 925 . 1 1 85 85 GLN NE2 N 15 111.30 0.05 . 1 . . . . 112 GLN NE2 . 15956 1 926 . 1 1 86 86 PRO HA H 1 4.40 0.02 . 1 . . . . 113 PRO HA . 15956 1 927 . 1 1 86 86 PRO HB2 H 1 1.70 0.02 . 1 . . . . 113 PRO HB2 . 15956 1 928 . 1 1 86 86 PRO HB3 H 1 2.13 0.02 . 1 . . . . 113 PRO HB3 . 15956 1 929 . 1 1 86 86 PRO HD2 H 1 3.39 0.02 . 2 . . . . 113 PRO HD2 . 15956 1 930 . 1 1 86 86 PRO HD3 H 1 3.29 0.02 . 2 . . . . 113 PRO HD3 . 15956 1 931 . 1 1 86 86 PRO CA C 13 63.04 0.05 . 1 . . . . 113 PRO CA . 15956 1 932 . 1 1 86 86 PRO CB C 13 32.40 0.05 . 1 . . . . 113 PRO CB . 15956 1 933 . 1 1 86 86 PRO CD C 13 50.52 0.05 . 1 . . . . 113 PRO CD . 15956 1 934 . 1 1 86 86 PRO CG C 13 27.56 0.05 . 1 . . . . 113 PRO CG . 15956 1 935 . 1 1 87 87 THR H H 1 8.18 0.02 . 1 . . . . 114 THR H . 15956 1 936 . 1 1 87 87 THR HA H 1 4.40 0.02 . 1 . . . . 114 THR HA . 15956 1 937 . 1 1 87 87 THR HB H 1 4.00 0.02 . 1 . . . . 114 THR HB . 15956 1 938 . 1 1 87 87 THR HG21 H 1 1.12 0.02 . 1 . . . . 114 THR HG2 . 15956 1 939 . 1 1 87 87 THR HG22 H 1 1.12 0.02 . 1 . . . . 114 THR HG2 . 15956 1 940 . 1 1 87 87 THR HG23 H 1 1.12 0.02 . 1 . . . . 114 THR HG2 . 15956 1 941 . 1 1 87 87 THR C C 13 172.18 0.05 . 1 . . . . 114 THR C . 15956 1 942 . 1 1 87 87 THR CA C 13 60.96 0.05 . 1 . . . . 114 THR CA . 15956 1 943 . 1 1 87 87 THR CB C 13 71.29 0.05 . 1 . . . . 114 THR CB . 15956 1 944 . 1 1 87 87 THR CG2 C 13 21.89 0.05 . 1 . . . . 114 THR CG2 . 15956 1 945 . 1 1 87 87 THR N N 15 111.93 0.05 . 1 . . . . 114 THR N . 15956 1 946 . 1 1 88 88 LEU H H 1 8.58 0.02 . 1 . . . . 115 LEU H . 15956 1 947 . 1 1 88 88 LEU HA H 1 4.30 0.02 . 1 . . . . 115 LEU HA . 15956 1 948 . 1 1 88 88 LEU HB2 H 1 1.49 0.02 . 1 . . . . 115 LEU HB2 . 15956 1 949 . 1 1 88 88 LEU HB3 H 1 1.23 0.02 . 1 . . . . 115 LEU HB3 . 15956 1 950 . 1 1 88 88 LEU HD11 H 1 0.74 0.02 . 1 . . . . 115 LEU HD1 . 15956 1 951 . 1 1 88 88 LEU HD12 H 1 0.74 0.02 . 1 . . . . 115 LEU HD1 . 15956 1 952 . 1 1 88 88 LEU HD13 H 1 0.74 0.02 . 1 . . . . 115 LEU HD1 . 15956 1 953 . 1 1 88 88 LEU HD21 H 1 0.67 0.02 . 1 . . . . 115 LEU HD2 . 15956 1 954 . 1 1 88 88 LEU HD22 H 1 0.67 0.02 . 1 . . . . 115 LEU HD2 . 15956 1 955 . 1 1 88 88 LEU HD23 H 1 0.67 0.02 . 1 . . . . 115 LEU HD2 . 15956 1 956 . 1 1 88 88 LEU C C 13 171.74 0.05 . 1 . . . . 115 LEU C . 15956 1 957 . 1 1 88 88 LEU CA C 13 53.23 0.05 . 1 . . . . 115 LEU CA . 15956 1 958 . 1 1 88 88 LEU CB C 13 41.90 0.05 . 1 . . . . 115 LEU CB . 15956 1 959 . 1 1 88 88 LEU CD1 C 13 26.28 0.05 . 1 . . . . 115 LEU CD1 . 15956 1 960 . 1 1 88 88 LEU CD2 C 13 24.56 0.05 . 1 . . . . 115 LEU CD2 . 15956 1 961 . 1 1 88 88 LEU CG C 13 26.74 0.05 . 1 . . . . 115 LEU CG . 15956 1 962 . 1 1 88 88 LEU N N 15 125.29 0.05 . 1 . . . . 115 LEU N . 15956 1 963 . 1 1 89 89 PRO HA H 1 4.63 0.02 . 1 . . . . 116 PRO HA . 15956 1 964 . 1 1 89 89 PRO HB2 H 1 2.27 0.02 . 2 . . . . 116 PRO HB2 . 15956 1 965 . 1 1 89 89 PRO HB3 H 1 1.85 0.02 . 2 . . . . 116 PRO HB3 . 15956 1 966 . 1 1 89 89 PRO HD2 H 1 3.76 0.02 . 2 . . . . 116 PRO HD2 . 15956 1 967 . 1 1 89 89 PRO HD3 H 1 3.30 0.02 . 2 . . . . 116 PRO HD3 . 15956 1 968 . 1 1 89 89 PRO HG2 H 1 2.03 0.02 . 2 . . . . 116 PRO HG2 . 15956 1 969 . 1 1 89 89 PRO HG3 H 1 1.95 0.02 . 2 . . . . 116 PRO HG3 . 15956 1 970 . 1 1 89 89 PRO CA C 13 61.58 0.05 . 1 . . . . 116 PRO CA . 15956 1 971 . 1 1 89 89 PRO CB C 13 30.98 0.05 . 1 . . . . 116 PRO CB . 15956 1 972 . 1 1 89 89 PRO CD C 13 50.53 0.05 . 1 . . . . 116 PRO CD . 15956 1 973 . 1 1 89 89 PRO CG C 13 27.55 0.05 . 1 . . . . 116 PRO CG . 15956 1 974 . 1 1 90 90 PRO HA H 1 4.35 0.02 . 1 . . . . 117 PRO HA . 15956 1 975 . 1 1 90 90 PRO HB2 H 1 1.77 0.02 . 1 . . . . 117 PRO HB2 . 15956 1 976 . 1 1 90 90 PRO HB3 H 1 2.21 0.02 . 1 . . . . 117 PRO HB3 . 15956 1 977 . 1 1 90 90 PRO CA C 13 63.01 0.05 . 1 . . . . 117 PRO CA . 15956 1 978 . 1 1 90 90 PRO CB C 13 32.30 0.05 . 1 . . . . 117 PRO CB . 15956 1 979 . 1 1 90 90 PRO CD C 13 50.53 0.05 . 1 . . . . 117 PRO CD . 15956 1 980 . 1 1 90 90 PRO CG C 13 27.63 0.05 . 1 . . . . 117 PRO CG . 15956 1 981 . 1 1 91 91 VAL H H 1 8.19 0.02 . 1 . . . . 118 VAL H . 15956 1 982 . 1 1 91 91 VAL HA H 1 3.90 0.02 . 1 . . . . 118 VAL HA . 15956 1 983 . 1 1 91 91 VAL HB H 1 1.90 0.02 . 1 . . . . 118 VAL HB . 15956 1 984 . 1 1 91 91 VAL HG11 H 1 0.80 0.02 . 2 . . . . 118 VAL HG1 . 15956 1 985 . 1 1 91 91 VAL HG12 H 1 0.80 0.02 . 2 . . . . 118 VAL HG1 . 15956 1 986 . 1 1 91 91 VAL HG13 H 1 0.80 0.02 . 2 . . . . 118 VAL HG1 . 15956 1 987 . 1 1 91 91 VAL HG21 H 1 0.85 0.02 . 2 . . . . 118 VAL HG2 . 15956 1 988 . 1 1 91 91 VAL HG22 H 1 0.85 0.02 . 2 . . . . 118 VAL HG2 . 15956 1 989 . 1 1 91 91 VAL HG23 H 1 0.85 0.02 . 2 . . . . 118 VAL HG2 . 15956 1 990 . 1 1 91 91 VAL C C 13 173.27 0.05 . 1 . . . . 118 VAL C . 15956 1 991 . 1 1 91 91 VAL CA C 13 62.89 0.05 . 1 . . . . 118 VAL CA . 15956 1 992 . 1 1 91 91 VAL CB C 13 32.98 0.05 . 1 . . . . 118 VAL CB . 15956 1 993 . 1 1 91 91 VAL CG2 C 13 21.08 0.05 . 2 . . . . 118 VAL CG2 . 15956 1 994 . 1 1 91 91 VAL N N 15 120.46 0.05 . 1 . . . . 118 VAL N . 15956 1 995 . 1 1 92 92 VAL H H 1 8.18 0.02 . 1 . . . . 119 VAL H . 15956 1 996 . 1 1 92 92 VAL HA H 1 4.04 0.02 . 1 . . . . 119 VAL HA . 15956 1 997 . 1 1 92 92 VAL HB H 1 1.91 0.02 . 1 . . . . 119 VAL HB . 15956 1 998 . 1 1 92 92 VAL HG11 H 1 0.77 0.02 . 2 . . . . 119 VAL HG1 . 15956 1 999 . 1 1 92 92 VAL HG12 H 1 0.77 0.02 . 2 . . . . 119 VAL HG1 . 15956 1 1000 . 1 1 92 92 VAL HG13 H 1 0.77 0.02 . 2 . . . . 119 VAL HG1 . 15956 1 1001 . 1 1 92 92 VAL HG21 H 1 0.81 0.02 . 2 . . . . 119 VAL HG2 . 15956 1 1002 . 1 1 92 92 VAL HG22 H 1 0.81 0.02 . 2 . . . . 119 VAL HG2 . 15956 1 1003 . 1 1 92 92 VAL HG23 H 1 0.81 0.02 . 2 . . . . 119 VAL HG2 . 15956 1 1004 . 1 1 92 92 VAL C C 13 172.96 0.05 . 1 . . . . 119 VAL C . 15956 1 1005 . 1 1 92 92 VAL CA C 13 62.25 0.05 . 1 . . . . 119 VAL CA . 15956 1 1006 . 1 1 92 92 VAL CB C 13 33.28 0.05 . 1 . . . . 119 VAL CB . 15956 1 1007 . 1 1 92 92 VAL CG1 C 13 21.35 0.05 . 2 . . . . 119 VAL CG1 . 15956 1 1008 . 1 1 92 92 VAL N N 15 125.03 0.05 . 1 . . . . 119 VAL N . 15956 1 1009 . 1 1 93 93 ILE H H 1 8.22 0.02 . 1 . . . . 120 ILE H . 15956 1 1010 . 1 1 93 93 ILE HA H 1 4.11 0.02 . 1 . . . . 120 ILE HA . 15956 1 1011 . 1 1 93 93 ILE HB H 1 1.76 0.02 . 1 . . . . 120 ILE HB . 15956 1 1012 . 1 1 93 93 ILE HD11 H 1 0.76 0.02 . 1 . . . . 120 ILE HD1 . 15956 1 1013 . 1 1 93 93 ILE HD12 H 1 0.76 0.02 . 1 . . . . 120 ILE HD1 . 15956 1 1014 . 1 1 93 93 ILE HD13 H 1 0.76 0.02 . 1 . . . . 120 ILE HD1 . 15956 1 1015 . 1 1 93 93 ILE C C 13 173.44 0.05 . 1 . . . . 120 ILE C . 15956 1 1016 . 1 1 93 93 ILE CA C 13 61.05 0.05 . 1 . . . . 120 ILE CA . 15956 1 1017 . 1 1 93 93 ILE CB C 13 39.03 0.05 . 1 . . . . 120 ILE CB . 15956 1 1018 . 1 1 93 93 ILE CD1 C 13 12.82 0.05 . 1 . . . . 120 ILE CD1 . 15956 1 1019 . 1 1 93 93 ILE CG1 C 13 27.36 0.05 . 1 . . . . 120 ILE CG1 . 15956 1 1020 . 1 1 93 93 ILE CG2 C 13 17.69 0.05 . 1 . . . . 120 ILE CG2 . 15956 1 1021 . 1 1 93 93 ILE N N 15 125.69 0.05 . 1 . . . . 120 ILE N . 15956 1 1022 . 1 1 94 94 GLY H H 1 8.19 0.02 . 1 . . . . 121 GLY H . 15956 1 1023 . 1 1 94 94 GLY HA2 H 1 4.05 0.02 . 2 . . . . 121 GLY HA2 . 15956 1 1024 . 1 1 94 94 GLY HA3 H 1 3.94 0.02 . 2 . . . . 121 GLY HA3 . 15956 1 1025 . 1 1 94 94 GLY C C 13 169.08 0.05 . 1 . . . . 121 GLY C . 15956 1 1026 . 1 1 94 94 GLY CA C 13 44.85 0.05 . 1 . . . . 121 GLY CA . 15956 1 1027 . 1 1 94 94 GLY N N 15 113.15 0.05 . 1 . . . . 121 GLY N . 15956 1 1028 . 1 1 95 95 PRO HA H 1 4.27 0.02 . 1 . . . . 122 PRO HA . 15956 1 1029 . 1 1 95 95 PRO HB2 H 1 1.63 0.02 . 1 . . . . 122 PRO HB2 . 15956 1 1030 . 1 1 95 95 PRO HB3 H 1 2.09 0.02 . 1 . . . . 122 PRO HB3 . 15956 1 1031 . 1 1 95 95 PRO HD3 H 1 3.47 0.02 . 2 . . . . 122 PRO HD3 . 15956 1 1032 . 1 1 95 95 PRO CA C 13 63.34 0.05 . 1 . . . . 122 PRO CA . 15956 1 1033 . 1 1 95 95 PRO CB C 13 32.16 0.05 . 1 . . . . 122 PRO CB . 15956 1 1034 . 1 1 95 95 PRO CD C 13 49.93 0.05 . 1 . . . . 122 PRO CD . 15956 1 1035 . 1 1 95 95 PRO CG C 13 27.27 0.05 . 1 . . . . 122 PRO CG . 15956 1 1036 . 1 1 96 96 PHE H H 1 8.14 0.02 . 1 . . . . 123 PHE H . 15956 1 1037 . 1 1 96 96 PHE HA H 1 4.51 0.02 . 1 . . . . 123 PHE HA . 15956 1 1038 . 1 1 96 96 PHE HB2 H 1 2.89 0.02 . 1 . . . . 123 PHE HB2 . 15956 1 1039 . 1 1 96 96 PHE HB3 H 1 2.89 0.02 . 1 . . . . 123 PHE HB3 . 15956 1 1040 . 1 1 96 96 PHE C C 13 172.70 0.05 . 1 . . . . 123 PHE C . 15956 1 1041 . 1 1 96 96 PHE CA C 13 58.04 0.05 . 1 . . . . 123 PHE CA . 15956 1 1042 . 1 1 96 96 PHE CB C 13 39.71 0.05 . 1 . . . . 123 PHE CB . 15956 1 1043 . 1 1 96 96 PHE N N 15 119.41 0.05 . 1 . . . . 123 PHE N . 15956 1 1044 . 1 1 97 97 PHE H H 1 8.00 0.02 . 1 . . . . 124 PHE H . 15956 1 1045 . 1 1 97 97 PHE HA H 1 4.49 0.02 . 1 . . . . 124 PHE HA . 15956 1 1046 . 1 1 97 97 PHE HB2 H 1 2.97 0.02 . 1 . . . . 124 PHE HB2 . 15956 1 1047 . 1 1 97 97 PHE HB3 H 1 2.97 0.02 . 1 . . . . 124 PHE HB3 . 15956 1 1048 . 1 1 97 97 PHE C C 13 172.14 0.05 . 1 . . . . 124 PHE C . 15956 1 1049 . 1 1 97 97 PHE CA C 13 58.00 0.05 . 1 . . . . 124 PHE CA . 15956 1 1050 . 1 1 97 97 PHE CB C 13 40.14 0.05 . 1 . . . . 124 PHE CB . 15956 1 1051 . 1 1 97 97 PHE N N 15 122.18 0.05 . 1 . . . . 124 PHE N . 15956 1 1052 . 1 1 98 98 ASP H H 1 8.10 0.02 . 1 . . . . 125 ASP H . 15956 1 1053 . 1 1 98 98 ASP HA H 1 4.40 0.02 . 1 . . . . 125 ASP HA . 15956 1 1054 . 1 1 98 98 ASP HB2 H 1 2.55 0.02 . 2 . . . . 125 ASP HB2 . 15956 1 1055 . 1 1 98 98 ASP HB3 H 1 2.63 0.02 . 2 . . . . 125 ASP HB3 . 15956 1 1056 . 1 1 98 98 ASP C C 13 173.87 0.05 . 1 . . . . 125 ASP C . 15956 1 1057 . 1 1 98 98 ASP CA C 13 54.47 0.05 . 1 . . . . 125 ASP CA . 15956 1 1058 . 1 1 98 98 ASP CB C 13 41.39 0.05 . 1 . . . . 125 ASP CB . 15956 1 1059 . 1 1 98 98 ASP N N 15 123.00 0.05 . 1 . . . . 125 ASP N . 15956 1 1060 . 1 1 99 99 GLY H H 1 8.01 0.02 . 1 . . . . 126 GLY H . 15956 1 1061 . 1 1 99 99 GLY HA3 H 1 3.86 0.02 . 2 . . . . 126 GLY HA3 . 15956 1 1062 . 1 1 99 99 GLY C C 13 171.64 0.05 . 1 . . . . 126 GLY C . 15956 1 1063 . 1 1 99 99 GLY CA C 13 45.86 0.05 . 1 . . . . 126 GLY CA . 15956 1 1064 . 1 1 99 99 GLY N N 15 109.28 0.05 . 1 . . . . 126 GLY N . 15956 1 1065 . 1 1 100 100 SER H H 1 8.11 0.02 . 1 . . . . 127 SER H . 15956 1 1066 . 1 1 100 100 SER HA H 1 4.32 0.02 . 1 . . . . 127 SER HA . 15956 1 1067 . 1 1 100 100 SER HB2 H 1 3.76 0.02 . 1 . . . . 127 SER HB2 . 15956 1 1068 . 1 1 100 100 SER HB3 H 1 3.76 0.02 . 1 . . . . 127 SER HB3 . 15956 1 1069 . 1 1 100 100 SER C C 13 171.52 0.05 . 1 . . . . 127 SER C . 15956 1 1070 . 1 1 100 100 SER CA C 13 59.19 0.05 . 1 . . . . 127 SER CA . 15956 1 1071 . 1 1 100 100 SER CB C 13 64.24 0.05 . 1 . . . . 127 SER CB . 15956 1 1072 . 1 1 100 100 SER N N 15 115.76 0.05 . 1 . . . . 127 SER N . 15956 1 1073 . 1 1 101 101 ILE H H 1 7.96 0.02 . 1 . . . . 128 ILE H . 15956 1 1074 . 1 1 101 101 ILE HA H 1 4.11 0.02 . 1 . . . . 128 ILE HA . 15956 1 1075 . 1 1 101 101 ILE HB H 1 1.79 0.02 . 1 . . . . 128 ILE HB . 15956 1 1076 . 1 1 101 101 ILE HD11 H 1 0.77 0.02 . 1 . . . . 128 ILE HD1 . 15956 1 1077 . 1 1 101 101 ILE HD12 H 1 0.77 0.02 . 1 . . . . 128 ILE HD1 . 15956 1 1078 . 1 1 101 101 ILE HD13 H 1 0.77 0.02 . 1 . . . . 128 ILE HD1 . 15956 1 1079 . 1 1 101 101 ILE HG12 H 1 1.39 0.02 . 2 . . . . 128 ILE HG12 . 15956 1 1080 . 1 1 101 101 ILE HG13 H 1 1.09 0.02 . 2 . . . . 128 ILE HG13 . 15956 1 1081 . 1 1 101 101 ILE HG21 H 1 0.82 0.02 . 1 . . . . 128 ILE HG2 . 15956 1 1082 . 1 1 101 101 ILE HG22 H 1 0.82 0.02 . 1 . . . . 128 ILE HG2 . 15956 1 1083 . 1 1 101 101 ILE HG23 H 1 0.82 0.02 . 1 . . . . 128 ILE HG2 . 15956 1 1084 . 1 1 101 101 ILE C C 13 172.59 0.05 . 1 . . . . 128 ILE C . 15956 1 1085 . 1 1 101 101 ILE CA C 13 61.80 0.05 . 1 . . . . 128 ILE CA . 15956 1 1086 . 1 1 101 101 ILE CB C 13 38.82 0.05 . 1 . . . . 128 ILE CB . 15956 1 1087 . 1 1 101 101 ILE CD1 C 13 13.15 0.05 . 1 . . . . 128 ILE CD1 . 15956 1 1088 . 1 1 101 101 ILE CG1 C 13 27.42 0.05 . 1 . . . . 128 ILE CG1 . 15956 1 1089 . 1 1 101 101 ILE CG2 C 13 17.71 0.05 . 1 . . . . 128 ILE CG2 . 15956 1 1090 . 1 1 101 101 ILE N N 15 122.05 0.05 . 1 . . . . 128 ILE N . 15956 1 1091 . 1 1 102 102 ARG H H 1 7.85 0.02 . 1 . . . . 129 ARG H . 15956 1 1092 . 1 1 102 102 ARG HA H 1 4.12 0.02 . 1 . . . . 129 ARG HA . 15956 1 1093 . 1 1 102 102 ARG HB2 H 1 1.73 0.02 . 2 . . . . 129 ARG HB2 . 15956 1 1094 . 1 1 102 102 ARG HB3 H 1 1.60 0.02 . 2 . . . . 129 ARG HB3 . 15956 1 1095 . 1 1 102 102 ARG HD2 H 1 3.05 0.02 . 1 . . . . 129 ARG HD2 . 15956 1 1096 . 1 1 102 102 ARG HD3 H 1 3.05 0.02 . 1 . . . . 129 ARG HD3 . 15956 1 1097 . 1 1 102 102 ARG HE H 1 7.07 0.02 . 1 . . . . 129 ARG HE . 15956 1 1098 . 1 1 102 102 ARG HG2 H 1 1.46 0.02 . 1 . . . . 129 ARG HG2 . 15956 1 1099 . 1 1 102 102 ARG HG3 H 1 1.46 0.02 . 1 . . . . 129 ARG HG3 . 15956 1 1100 . 1 1 102 102 ARG C C 13 178.04 0.05 . 1 . . . . 129 ARG C . 15956 1 1101 . 1 1 102 102 ARG CA C 13 57.54 0.05 . 1 . . . . 129 ARG CA . 15956 1 1102 . 1 1 102 102 ARG CB C 13 32.10 0.05 . 1 . . . . 129 ARG CB . 15956 1 1103 . 1 1 102 102 ARG CD C 13 43.67 0.05 . 1 . . . . 129 ARG CD . 15956 1 1104 . 1 1 102 102 ARG CG C 13 27.34 0.05 . 1 . . . . 129 ARG CG . 15956 1 1105 . 1 1 102 102 ARG N N 15 130.07 0.05 . 1 . . . . 129 ARG N . 15956 1 1106 . 1 1 102 102 ARG NE N 15 114.78 0.05 . 1 . . . . 129 ARG NE . 15956 1 stop_ save_