data_15189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15189 _Entry.Title ; Solution structure of the N-terminal extracellular domain of the lymphocyte receptor CD5 (CD5 domain 1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-19 _Entry.Accession_date 2007-03-19 _Entry.Last_release_date 2008-06-27 _Entry.Original_release_date 2008-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Acely Garza-Garcia . . . 15189 2 Richard Harris . . . 15189 3 Diego Esposito . . . 15189 4 Paul Driscoll . C. . 15189 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' . 15189 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CD5 . 15189 'domain 1' . 15189 'scavenger receptor cysteine rich' . 15189 SRCR . 15189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 15189 '15N chemical shifts' 105 15189 '1H chemical shifts' 692 15189 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-27 2007-03-19 original author . 15189 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOP 'BMRB Entry Tracking System' 15189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18339402 _Citation.Full_citation . _Citation.Title 'Three-dimensional solution structure and conformational plasticity of the N-terminal scavenger receptor cysteine-rich domain of human CD5' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 378 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 129 _Citation.Page_last 144 _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 Acely Garza-Garcia . . . 15189 1 2 Diego Esposito . . . 15189 1 3 Wolfgang Rieping . . . 15189 1 4 Richard Harris . . . 15189 1 5 Cherry Briggs . . . 15189 1 6 Marion Brown . H. . 15189 1 7 Paul Driscoll . C. . 15189 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15189 _Assembly.ID 1 _Assembly.Name CD5d1 _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 CD5d1 1 $CD5d1 A . yes native no no . . . 15189 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 CD5d1 1 CYS 41 41 SG . 1 CD5d1 1 CYS 83 83 SG CD5d1 . 41 cys SG CD5d1 . 83 cys SG 15189 1 2 disulphide 1 . 1 CD5d1 1 CYS 57 57 SG . 1 CD5d1 1 CYS 122 122 SG CD5d1 . 57 cys SG CD5d1 . 122 cys SG 15189 1 3 disulphide 1 . 1 CD5d1 1 CYS 78 78 SG . 1 CD5d1 1 CYS 129 129 SG CD5d1 . 78 cys SG CD5d1 . 129 cys SG 15189 1 4 disulphide 1 . 1 CD5d1 1 CYS 104 104 SG . 1 CD5d1 1 CYS 114 114 SG CD5d1 . 104 cys SG CD5d1 . 114 cys SG 15189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD5d1 _Entity.Sf_category entity _Entity.Sf_framecode CD5d1 _Entity.Entry_ID 15189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD5d1 _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 ; MGSSHHHHHHSSGLVPRGSH MRLSWYDPDFQARLTRSNSK CQGQLEVYLKDGWHMVCSQS WGRSSKQWEDPSQASKVCQR LNCGDPLSLGPFLKTYTPQS SIICYGQLGSFSNCSHSRND MCHSLGLTCLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Construct included an N-terminal hexa-histidine tag: MGSSHHHHHHSSGLVPRGSHM ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; V88D V97K ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12491.134 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2JOP . "Solution Structure Of The N-Terminal Extracellular Domain Of The Lymphocyte Receptor Cd5 (Cd5 Domain 1)" . . . . . 100.00 131 100.00 100.00 2.55e-90 . . . . 15189 1 no PDB 2JP0 . "Solution Structure Of The N-Terminal Extraceullular Domain Of The Lymphocyte Receptor Cd5 Calculated Using Inferential Structur" . . . . . 100.00 131 99.24 99.24 1.12e-89 . . . . 15189 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 -20 MET . 15189 1 2 -19 GLY . 15189 1 3 -18 SER . 15189 1 4 -17 SER . 15189 1 5 -16 HIS . 15189 1 6 -15 HIS . 15189 1 7 -14 HIS . 15189 1 8 -13 HIS . 15189 1 9 -12 HIS . 15189 1 10 -11 HIS . 15189 1 11 -10 SER . 15189 1 12 -9 SER . 15189 1 13 -8 GLY . 15189 1 14 -7 LEU . 15189 1 15 -6 VAL . 15189 1 16 -5 PRO . 15189 1 17 -4 ARG . 15189 1 18 -3 GLY . 15189 1 19 -2 SER . 15189 1 20 -1 HIS . 15189 1 21 1 MET . 15189 1 22 2 ARG . 15189 1 23 3 LEU . 15189 1 24 4 SER . 15189 1 25 5 TRP . 15189 1 26 6 TYR . 15189 1 27 7 ASP . 15189 1 28 8 PRO . 15189 1 29 9 ASP . 15189 1 30 10 PHE . 15189 1 31 11 GLN . 15189 1 32 12 ALA . 15189 1 33 13 ARG . 15189 1 34 14 LEU . 15189 1 35 15 THR . 15189 1 36 16 ARG . 15189 1 37 17 SER . 15189 1 38 18 ASN . 15189 1 39 19 SER . 15189 1 40 20 LYS . 15189 1 41 21 CYS . 15189 1 42 22 GLN . 15189 1 43 23 GLY . 15189 1 44 24 GLN . 15189 1 45 25 LEU . 15189 1 46 26 GLU . 15189 1 47 27 VAL . 15189 1 48 28 TYR . 15189 1 49 29 LEU . 15189 1 50 30 LYS . 15189 1 51 31 ASP . 15189 1 52 32 GLY . 15189 1 53 33 TRP . 15189 1 54 34 HIS . 15189 1 55 35 MET . 15189 1 56 36 VAL . 15189 1 57 37 CYS . 15189 1 58 38 SER . 15189 1 59 39 GLN . 15189 1 60 40 SER . 15189 1 61 41 TRP . 15189 1 62 42 GLY . 15189 1 63 43 ARG . 15189 1 64 44 SER . 15189 1 65 45 SER . 15189 1 66 46 LYS . 15189 1 67 47 GLN . 15189 1 68 48 TRP . 15189 1 69 49 GLU . 15189 1 70 50 ASP . 15189 1 71 51 PRO . 15189 1 72 52 SER . 15189 1 73 53 GLN . 15189 1 74 54 ALA . 15189 1 75 55 SER . 15189 1 76 56 LYS . 15189 1 77 57 VAL . 15189 1 78 58 CYS . 15189 1 79 59 GLN . 15189 1 80 60 ARG . 15189 1 81 61 LEU . 15189 1 82 62 ASN . 15189 1 83 63 CYS . 15189 1 84 64 GLY . 15189 1 85 65 ASP . 15189 1 86 66 PRO . 15189 1 87 67 LEU . 15189 1 88 68 SER . 15189 1 89 69 LEU . 15189 1 90 70 GLY . 15189 1 91 71 PRO . 15189 1 92 72 PHE . 15189 1 93 73 LEU . 15189 1 94 74 LYS . 15189 1 95 75 THR . 15189 1 96 76 TYR . 15189 1 97 77 THR . 15189 1 98 78 PRO . 15189 1 99 79 GLN . 15189 1 100 80 SER . 15189 1 101 81 SER . 15189 1 102 82 ILE . 15189 1 103 83 ILE . 15189 1 104 84 CYS . 15189 1 105 85 TYR . 15189 1 106 86 GLY . 15189 1 107 87 GLN . 15189 1 108 88 LEU . 15189 1 109 89 GLY . 15189 1 110 90 SER . 15189 1 111 91 PHE . 15189 1 112 92 SER . 15189 1 113 93 ASN . 15189 1 114 94 CYS . 15189 1 115 95 SER . 15189 1 116 96 HIS . 15189 1 117 97 SER . 15189 1 118 98 ARG . 15189 1 119 99 ASN . 15189 1 120 100 ASP . 15189 1 121 101 MET . 15189 1 122 102 CYS . 15189 1 123 103 HIS . 15189 1 124 104 SER . 15189 1 125 105 LEU . 15189 1 126 106 GLY . 15189 1 127 107 LEU . 15189 1 128 108 THR . 15189 1 129 109 CYS . 15189 1 130 110 LEU . 15189 1 131 111 GLU . 15189 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 . MET 1 1 15189 1 . GLY 2 2 15189 1 . SER 3 3 15189 1 . SER 4 4 15189 1 . HIS 5 5 15189 1 . HIS 6 6 15189 1 . HIS 7 7 15189 1 . HIS 8 8 15189 1 . HIS 9 9 15189 1 . HIS 10 10 15189 1 . SER 11 11 15189 1 . SER 12 12 15189 1 . GLY 13 13 15189 1 . LEU 14 14 15189 1 . VAL 15 15 15189 1 . PRO 16 16 15189 1 . ARG 17 17 15189 1 . GLY 18 18 15189 1 . SER 19 19 15189 1 . HIS 20 20 15189 1 . MET 21 21 15189 1 . ARG 22 22 15189 1 . LEU 23 23 15189 1 . SER 24 24 15189 1 . TRP 25 25 15189 1 . TYR 26 26 15189 1 . ASP 27 27 15189 1 . PRO 28 28 15189 1 . ASP 29 29 15189 1 . PHE 30 30 15189 1 . GLN 31 31 15189 1 . ALA 32 32 15189 1 . ARG 33 33 15189 1 . LEU 34 34 15189 1 . THR 35 35 15189 1 . ARG 36 36 15189 1 . SER 37 37 15189 1 . ASN 38 38 15189 1 . SER 39 39 15189 1 . LYS 40 40 15189 1 . CYS 41 41 15189 1 . GLN 42 42 15189 1 . GLY 43 43 15189 1 . GLN 44 44 15189 1 . LEU 45 45 15189 1 . GLU 46 46 15189 1 . VAL 47 47 15189 1 . TYR 48 48 15189 1 . LEU 49 49 15189 1 . LYS 50 50 15189 1 . ASP 51 51 15189 1 . GLY 52 52 15189 1 . TRP 53 53 15189 1 . HIS 54 54 15189 1 . MET 55 55 15189 1 . VAL 56 56 15189 1 . CYS 57 57 15189 1 . SER 58 58 15189 1 . GLN 59 59 15189 1 . SER 60 60 15189 1 . TRP 61 61 15189 1 . GLY 62 62 15189 1 . ARG 63 63 15189 1 . SER 64 64 15189 1 . SER 65 65 15189 1 . LYS 66 66 15189 1 . GLN 67 67 15189 1 . TRP 68 68 15189 1 . GLU 69 69 15189 1 . ASP 70 70 15189 1 . PRO 71 71 15189 1 . SER 72 72 15189 1 . GLN 73 73 15189 1 . ALA 74 74 15189 1 . SER 75 75 15189 1 . LYS 76 76 15189 1 . VAL 77 77 15189 1 . CYS 78 78 15189 1 . GLN 79 79 15189 1 . ARG 80 80 15189 1 . LEU 81 81 15189 1 . ASN 82 82 15189 1 . CYS 83 83 15189 1 . GLY 84 84 15189 1 . ASP 85 85 15189 1 . PRO 86 86 15189 1 . LEU 87 87 15189 1 . SER 88 88 15189 1 . LEU 89 89 15189 1 . GLY 90 90 15189 1 . PRO 91 91 15189 1 . PHE 92 92 15189 1 . LEU 93 93 15189 1 . LYS 94 94 15189 1 . THR 95 95 15189 1 . TYR 96 96 15189 1 . THR 97 97 15189 1 . PRO 98 98 15189 1 . GLN 99 99 15189 1 . SER 100 100 15189 1 . SER 101 101 15189 1 . ILE 102 102 15189 1 . ILE 103 103 15189 1 . CYS 104 104 15189 1 . TYR 105 105 15189 1 . GLY 106 106 15189 1 . GLN 107 107 15189 1 . LEU 108 108 15189 1 . GLY 109 109 15189 1 . SER 110 110 15189 1 . PHE 111 111 15189 1 . SER 112 112 15189 1 . ASN 113 113 15189 1 . CYS 114 114 15189 1 . SER 115 115 15189 1 . HIS 116 116 15189 1 . SER 117 117 15189 1 . ARG 118 118 15189 1 . ASN 119 119 15189 1 . ASP 120 120 15189 1 . MET 121 121 15189 1 . CYS 122 122 15189 1 . HIS 123 123 15189 1 . SER 124 124 15189 1 . LEU 125 125 15189 1 . GLY 126 126 15189 1 . LEU 127 127 15189 1 . THR 128 128 15189 1 . CYS 129 129 15189 1 . LEU 130 130 15189 1 . GLU 131 131 15189 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 15189 _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 $CD5d1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15189 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 15189 _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 $CD5d1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet15b . . . . . . 15189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15189 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD5d1 [U-15N] . . 1 $CD5d1 . . 1 . . mM . . . . 15189 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15189 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15189 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15189 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15189 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15189 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15189 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD5d1 '[U-13C; U-15N]' . . 1 $CD5d1 . . 1 . . mM . . . . 15189 2 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15189 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15189 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15189 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15189 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15189 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15189 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD5d1 '[U-13C; U-15N]' . . 1 $CD5d1 . . 1 . . mM . . . . 15189 3 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15189 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15189 3 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15189 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15189 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15189 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 15189 1 pH 5.0 . pH 15189 1 pressure 1 . atm 15189 1 temperature 318 . K 15189 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15189 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15189 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15189 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 15189 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 15189 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15189 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15189 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15189 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15189 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15189 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15189 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15189 4 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 15189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15189 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15189 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15189 _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 Varian INOVA . 600 . . . 15189 1 2 spectrometer_2 Varian UnityPlus . 500 . . . 15189 1 3 spectrometer_3 Varian INOVA . 800 . . . 15189 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 15189 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 7 '3D HA(CACO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15189 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15189 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15189 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15189 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15189 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 15189 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15189 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 15189 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15189 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 15189 _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' . . . 15189 1 2 '3D 1H-15N NOESY' . . . 15189 1 3 '3D 1H-15N TOCSY' . . . 15189 1 4 '2D 1H-15N HSQC' . . . 15189 1 5 '3D HNCA' . . . 15189 1 6 '3D HNCO' . . . 15189 1 7 '3D HA(CACO)NH' . . . 15189 1 8 '3D CBCA(CO)NH' . . . 15189 1 9 '3D HNCACB' . . . 15189 1 10 '2D 1H-13C HSQC' . . . 15189 1 11 '3D 1H-13C NOESY' . . . 15189 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 22 22 ARG N N 15 122.368 0.1 . 1 . . . . 2 ARG N . 15189 1 2 . 1 1 22 22 ARG H H 1 8.257 0.02 . 1 . . . . 2 ARG HN . 15189 1 3 . 1 1 22 22 ARG C C 13 175.641 0.4 . 1 . . . . 2 ARG CO . 15189 1 4 . 1 1 23 23 LEU N N 15 122.888 0.1 . 1 . . . . 3 LEU N . 15189 1 5 . 1 1 23 23 LEU H H 1 8.073 0.02 . 1 . . . . 3 LEU HN . 15189 1 6 . 1 1 23 23 LEU C C 13 175.4 0.4 . 1 . . . . 3 LEU CO . 15189 1 7 . 1 1 23 23 LEU CA C 13 54.853 0.4 . 1 . . . . 3 LEU CA . 15189 1 8 . 1 1 23 23 LEU HA H 1 4.611 0.02 . 1 . . . . 3 LEU HA . 15189 1 9 . 1 1 23 23 LEU CB C 13 43.099 0.4 . 1 . . . . 3 LEU CB . 15189 1 10 . 1 1 23 23 LEU HB2 H 1 1.564 0.02 . 2 . . . . 3 LEU HB1 . 15189 1 11 . 1 1 23 23 LEU HB3 H 1 1.646 0.02 . 2 . . . . 3 LEU HB2 . 15189 1 12 . 1 1 23 23 LEU CG C 13 27.468 0.4 . 1 . . . . 3 LEU CG . 15189 1 13 . 1 1 23 23 LEU HG H 1 1.565 0.02 . 1 . . . . 3 LEU HG . 15189 1 14 . 1 1 23 23 LEU CD1 C 13 24.637 0.4 . 2 . . . . 3 LEU CD1 . 15189 1 15 . 1 1 23 23 LEU HD11 H 1 0.929 0.02 . 2 . . . . 3 LEU HD1 . 15189 1 16 . 1 1 23 23 LEU HD12 H 1 0.929 0.02 . 2 . . . . 3 LEU HD1 . 15189 1 17 . 1 1 23 23 LEU HD13 H 1 0.929 0.02 . 2 . . . . 3 LEU HD1 . 15189 1 18 . 1 1 23 23 LEU CD2 C 13 24.768 0.4 . 2 . . . . 3 LEU CD2 . 15189 1 19 . 1 1 23 23 LEU HD21 H 1 1.039 0.02 . 2 . . . . 3 LEU HD2 . 15189 1 20 . 1 1 23 23 LEU HD22 H 1 1.039 0.02 . 2 . . . . 3 LEU HD2 . 15189 1 21 . 1 1 23 23 LEU HD23 H 1 1.039 0.02 . 2 . . . . 3 LEU HD2 . 15189 1 22 . 1 1 24 24 SER N N 15 119.474 0.1 . 1 . . . . 4 SER N . 15189 1 23 . 1 1 24 24 SER H H 1 8.486 0.02 . 1 . . . . 4 SER HN . 15189 1 24 . 1 1 24 24 SER C C 13 174.585 0.4 . 1 . . . . 4 SER CO . 15189 1 25 . 1 1 24 24 SER CA C 13 56.617 0.4 . 1 . . . . 4 SER CA . 15189 1 26 . 1 1 24 24 SER HA H 1 5.47 0.02 . 1 . . . . 4 SER HA . 15189 1 27 . 1 1 24 24 SER CB C 13 67.205 0.4 . 1 . . . . 4 SER CB . 15189 1 28 . 1 1 24 24 SER HB2 H 1 3.781 0.02 . 2 . . . . 4 SER HB1 . 15189 1 29 . 1 1 24 24 SER HB3 H 1 3.876 0.02 . 2 . . . . 4 SER HB2 . 15189 1 30 . 1 1 25 25 TRP N N 15 117.584 0.1 . 1 . . . . 5 TRP N . 15189 1 31 . 1 1 25 25 TRP H H 1 8.395 0.02 . 1 . . . . 5 TRP HN . 15189 1 32 . 1 1 25 25 TRP C C 13 175.188 0.4 . 1 . . . . 5 TRP CO . 15189 1 33 . 1 1 25 25 TRP NE1 N 15 126.209 0.1 . 1 . . . . 5 TRP NE1 . 15189 1 34 . 1 1 25 25 TRP HE1 H 1 8.45 0.02 . 1 . . . . 5 TRP HE1 . 15189 1 35 . 1 1 25 25 TRP CA C 13 54.858 0.4 . 1 . . . . 5 TRP CA . 15189 1 36 . 1 1 25 25 TRP HA H 1 3.574 0.02 . 1 . . . . 5 TRP HA . 15189 1 37 . 1 1 25 25 TRP CB C 13 26.868 0.4 . 1 . . . . 5 TRP CB . 15189 1 38 . 1 1 25 25 TRP HB2 H 1 2.394 0.02 . 2 . . . . 5 TRP HB1 . 15189 1 39 . 1 1 25 25 TRP HB3 H 1 2.849 0.02 . 2 . . . . 5 TRP HB2 . 15189 1 40 . 1 1 25 25 TRP CD1 C 13 122.085 0.4 . 1 . . . . 5 TRP CD1 . 15189 1 41 . 1 1 25 25 TRP HD1 H 1 5.216 0.02 . 1 . . . . 5 TRP HD1 . 15189 1 42 . 1 1 25 25 TRP CE3 C 13 119.439 0.4 . 1 . . . . 5 TRP CE3 . 15189 1 43 . 1 1 25 25 TRP HE3 H 1 7.285 0.02 . 1 . . . . 5 TRP HE3 . 15189 1 44 . 1 1 25 25 TRP CZ2 C 13 113.174 0.4 . 1 . . . . 5 TRP CZ2 . 15189 1 45 . 1 1 25 25 TRP HZ2 H 1 6.825 0.02 . 1 . . . . 5 TRP HZ2 . 15189 1 46 . 1 1 25 25 TRP CZ3 C 13 124.513 0.4 . 1 . . . . 5 TRP CZ3 . 15189 1 47 . 1 1 25 25 TRP HZ3 H 1 6.932 0.02 . 1 . . . . 5 TRP HZ3 . 15189 1 48 . 1 1 25 25 TRP CH2 C 13 120.823 0.4 . 1 . . . . 5 TRP CH2 . 15189 1 49 . 1 1 25 25 TRP HH2 H 1 6.914 0.02 . 1 . . . . 5 TRP HH2 . 15189 1 50 . 1 1 26 26 TYR N N 15 117.941 0.1 . 1 . . . . 6 TYR N . 15189 1 51 . 1 1 26 26 TYR H H 1 7.822 0.02 . 1 . . . . 6 TYR HN . 15189 1 52 . 1 1 26 26 TYR C C 13 175.742 0.4 . 1 . . . . 6 TYR CO . 15189 1 53 . 1 1 26 26 TYR CA C 13 58.111 0.4 . 1 . . . . 6 TYR CA . 15189 1 54 . 1 1 26 26 TYR HA H 1 4.328 0.02 . 1 . . . . 6 TYR HA . 15189 1 55 . 1 1 26 26 TYR CB C 13 38.02 0.4 . 1 . . . . 6 TYR CB . 15189 1 56 . 1 1 26 26 TYR HB2 H 1 2.718 0.02 . 2 . . . . 6 TYR HB1 . 15189 1 57 . 1 1 26 26 TYR HB3 H 1 3.283 0.02 . 2 . . . . 6 TYR HB2 . 15189 1 58 . 1 1 26 26 TYR CD1 C 13 133.26 0.4 . 1 . . . . 6 TYR CD . 15189 1 59 . 1 1 26 26 TYR CD2 C 13 133.26 0.4 . 1 . . . . 6 TYR CD . 15189 1 60 . 1 1 26 26 TYR HD1 H 1 7.128 0.02 . 1 . . . . 6 TYR HD . 15189 1 61 . 1 1 26 26 TYR HD2 H 1 7.128 0.02 . 1 . . . . 6 TYR HD . 15189 1 62 . 1 1 26 26 TYR CE1 C 13 119.431 0.4 . 1 . . . . 6 TYR CE . 15189 1 63 . 1 1 26 26 TYR CE2 C 13 119.431 0.4 . 1 . . . . 6 TYR CE . 15189 1 64 . 1 1 26 26 TYR HE1 H 1 6.997 0.02 . 1 . . . . 6 TYR HE . 15189 1 65 . 1 1 26 26 TYR HE2 H 1 6.997 0.02 . 1 . . . . 6 TYR HE . 15189 1 66 . 1 1 27 27 ASP N N 15 122.466 0.1 . 1 . . . . 7 ASP N . 15189 1 67 . 1 1 27 27 ASP H H 1 7.585 0.02 . 1 . . . . 7 ASP HN . 15189 1 68 . 1 1 27 27 ASP CA C 13 53.209 0.4 . 1 . . . . 7 ASP CA . 15189 1 69 . 1 1 27 27 ASP HA H 1 4.838 0.02 . 1 . . . . 7 ASP HA . 15189 1 70 . 1 1 27 27 ASP CB C 13 41.774 0.4 . 1 . . . . 7 ASP CB . 15189 1 71 . 1 1 27 27 ASP HB2 H 1 2.98 0.02 . 2 . . . . 7 ASP HB1 . 15189 1 72 . 1 1 27 27 ASP HB3 H 1 3.079 0.02 . 2 . . . . 7 ASP HB2 . 15189 1 73 . 1 1 28 28 PRO C C 13 176.521 0.4 . 1 . . . . 8 PRO CO . 15189 1 74 . 1 1 28 28 PRO CA C 13 64.762 0.4 . 1 . . . . 8 PRO CA . 15189 1 75 . 1 1 28 28 PRO HA H 1 4.364 0.02 . 1 . . . . 8 PRO HA . 15189 1 76 . 1 1 28 28 PRO CB C 13 32.094 0.4 . 1 . . . . 8 PRO CB . 15189 1 77 . 1 1 28 28 PRO HB2 H 1 1.974 0.02 . 2 . . . . 8 PRO HB1 . 15189 1 78 . 1 1 28 28 PRO HB3 H 1 2.357 0.02 . 2 . . . . 8 PRO HB2 . 15189 1 79 . 1 1 28 28 PRO CG C 13 27.52 0.4 . 1 . . . . 8 PRO CG . 15189 1 80 . 1 1 28 28 PRO HG2 H 1 1.992 0.02 . 2 . . . . 8 PRO HG1 . 15189 1 81 . 1 1 28 28 PRO HG3 H 1 2.068 0.02 . 2 . . . . 8 PRO HG2 . 15189 1 82 . 1 1 28 28 PRO CD C 13 50.959 0.4 . 1 . . . . 8 PRO CD . 15189 1 83 . 1 1 28 28 PRO HD2 H 1 3.868 0.02 . 2 . . . . 8 PRO HD1 . 15189 1 84 . 1 1 28 28 PRO HD3 H 1 3.917 0.02 . 2 . . . . 8 PRO HD2 . 15189 1 85 . 1 1 29 29 ASP N N 15 114.729 0.1 . 1 . . . . 9 ASP N . 15189 1 86 . 1 1 29 29 ASP H H 1 8.394 0.02 . 1 . . . . 9 ASP HN . 15189 1 87 . 1 1 29 29 ASP C C 13 175.723 0.4 . 1 . . . . 9 ASP CO . 15189 1 88 . 1 1 29 29 ASP CA C 13 53.233 0.4 . 1 . . . . 9 ASP CA . 15189 1 89 . 1 1 29 29 ASP HA H 1 4.673 0.02 . 1 . . . . 9 ASP HA . 15189 1 90 . 1 1 29 29 ASP CB C 13 40.333 0.4 . 1 . . . . 9 ASP CB . 15189 1 91 . 1 1 29 29 ASP HB2 H 1 2.698 0.02 . 1 . . . . 9 ASP HB . 15189 1 92 . 1 1 29 29 ASP HB3 H 1 2.698 0.02 . 1 . . . . 9 ASP HB . 15189 1 93 . 1 1 30 30 PHE N N 15 122.392 0.1 . 1 . . . . 10 PHE N . 15189 1 94 . 1 1 30 30 PHE H H 1 7.459 0.02 . 1 . . . . 10 PHE HN . 15189 1 95 . 1 1 30 30 PHE C C 13 174.902 0.4 . 1 . . . . 10 PHE CO . 15189 1 96 . 1 1 30 30 PHE CA C 13 59.483 0.4 . 1 . . . . 10 PHE CA . 15189 1 97 . 1 1 30 30 PHE HA H 1 4.197 0.02 . 1 . . . . 10 PHE HA . 15189 1 98 . 1 1 30 30 PHE CB C 13 40.253 0.4 . 1 . . . . 10 PHE CB . 15189 1 99 . 1 1 30 30 PHE HB2 H 1 2.969 0.02 . 2 . . . . 10 PHE HB1 . 15189 1 100 . 1 1 30 30 PHE HB3 H 1 3.34 0.02 . 2 . . . . 10 PHE HB2 . 15189 1 101 . 1 1 30 30 PHE HZ H 1 6.194 0.02 . 1 . . . . 10 PHE HZ . 15189 1 102 . 1 1 30 30 PHE CZ C 13 130.453 0.4 . 1 . . . . 10 PHE CZ . 15189 1 103 . 1 1 30 30 PHE CD1 C 13 132.193 0.4 . 1 . . . . 10 PHE CD . 15189 1 104 . 1 1 30 30 PHE CD2 C 13 132.193 0.4 . 1 . . . . 10 PHE CD . 15189 1 105 . 1 1 30 30 PHE HD1 H 1 7.023 0.02 . 1 . . . . 10 PHE HD . 15189 1 106 . 1 1 30 30 PHE HD2 H 1 7.023 0.02 . 1 . . . . 10 PHE HD . 15189 1 107 . 1 1 30 30 PHE CE1 C 13 130.443 0.4 . 1 . . . . 10 PHE CE . 15189 1 108 . 1 1 30 30 PHE CE2 C 13 130.443 0.4 . 1 . . . . 10 PHE CE . 15189 1 109 . 1 1 30 30 PHE HE1 H 1 6.723 0.02 . 1 . . . . 10 PHE HE . 15189 1 110 . 1 1 30 30 PHE HE2 H 1 6.723 0.02 . 1 . . . . 10 PHE HE . 15189 1 111 . 1 1 31 31 GLN N N 15 128.673 0.1 . 1 . . . . 11 GLN N . 15189 1 112 . 1 1 31 31 GLN H H 1 8.138 0.02 . 1 . . . . 11 GLN HN . 15189 1 113 . 1 1 31 31 GLN C C 13 172.216 0.4 . 1 . . . . 11 GLN CO . 15189 1 114 . 1 1 31 31 GLN CA C 13 55.624 0.4 . 1 . . . . 11 GLN CA . 15189 1 115 . 1 1 31 31 GLN HA H 1 4.383 0.02 . 1 . . . . 11 GLN HA . 15189 1 116 . 1 1 31 31 GLN CB C 13 31.013 0.4 . 1 . . . . 11 GLN CB . 15189 1 117 . 1 1 31 31 GLN HB2 H 1 1.698 0.02 . 2 . . . . 11 GLN HB1 . 15189 1 118 . 1 1 31 31 GLN HB3 H 1 1.77 0.02 . 2 . . . . 11 GLN HB2 . 15189 1 119 . 1 1 31 31 GLN CG C 13 33.883 0.4 . 1 . . . . 11 GLN CG . 15189 1 120 . 1 1 31 31 GLN HG2 H 1 2.063 0.02 . 2 . . . . 11 GLN HG1 . 15189 1 121 . 1 1 31 31 GLN HG3 H 1 2.201 0.02 . 2 . . . . 11 GLN HG2 . 15189 1 122 . 1 1 32 32 ALA N N 15 124.117 0.1 . 1 . . . . 12 ALA N . 15189 1 123 . 1 1 32 32 ALA H H 1 7.732 0.02 . 1 . . . . 12 ALA HN . 15189 1 124 . 1 1 32 32 ALA C C 13 175.51 0.4 . 1 . . . . 12 ALA CO . 15189 1 125 . 1 1 32 32 ALA CA C 13 49.978 0.4 . 1 . . . . 12 ALA CA . 15189 1 126 . 1 1 32 32 ALA HA H 1 5.608 0.02 . 1 . . . . 12 ALA HA . 15189 1 127 . 1 1 32 32 ALA CB C 13 23.642 0.4 . 1 . . . . 12 ALA CB . 15189 1 128 . 1 1 32 32 ALA HB1 H 1 1.349 0.02 . 1 . . . . 12 ALA HB . 15189 1 129 . 1 1 32 32 ALA HB2 H 1 1.349 0.02 . 1 . . . . 12 ALA HB . 15189 1 130 . 1 1 32 32 ALA HB3 H 1 1.349 0.02 . 1 . . . . 12 ALA HB . 15189 1 131 . 1 1 33 33 ARG N N 15 116.738 0.1 . 1 . . . . 13 ARG N . 15189 1 132 . 1 1 33 33 ARG H H 1 9.155 0.02 . 1 . . . . 13 ARG HN . 15189 1 133 . 1 1 33 33 ARG C C 13 172.026 0.4 . 1 . . . . 13 ARG CO . 15189 1 134 . 1 1 33 33 ARG CA C 13 54.741 0.4 . 1 . . . . 13 ARG CA . 15189 1 135 . 1 1 33 33 ARG HA H 1 4.512 0.02 . 1 . . . . 13 ARG HA . 15189 1 136 . 1 1 33 33 ARG CB C 13 32.663 0.4 . 1 . . . . 13 ARG CB . 15189 1 137 . 1 1 33 33 ARG HB2 H 1 1.327 0.02 . 2 . . . . 13 ARG HB1 . 15189 1 138 . 1 1 33 33 ARG HB3 H 1 1.477 0.02 . 2 . . . . 13 ARG HB2 . 15189 1 139 . 1 1 33 33 ARG CG C 13 25.39 0.4 . 1 . . . . 13 ARG CG . 15189 1 140 . 1 1 33 33 ARG HG2 H 1 0.702 0.02 . 2 . . . . 13 ARG HG1 . 15189 1 141 . 1 1 33 33 ARG HG3 H 1 1.011 0.02 . 2 . . . . 13 ARG HG2 . 15189 1 142 . 1 1 33 33 ARG CD C 13 42.641 0.4 . 1 . . . . 13 ARG CD . 15189 1 143 . 1 1 33 33 ARG HD2 H 1 1.023 0.02 . 2 . . . . 13 ARG HD1 . 15189 1 144 . 1 1 33 33 ARG HD3 H 1 2.062 0.02 . 2 . . . . 13 ARG HD2 . 15189 1 145 . 1 1 34 34 LEU N N 15 119.054 0.1 . 1 . . . . 14 LEU N . 15189 1 146 . 1 1 34 34 LEU H H 1 8.133 0.02 . 1 . . . . 14 LEU HN . 15189 1 147 . 1 1 34 34 LEU C C 13 177.899 0.4 . 1 . . . . 14 LEU CO . 15189 1 148 . 1 1 34 34 LEU CA C 13 52.621 0.4 . 1 . . . . 14 LEU CA . 15189 1 149 . 1 1 34 34 LEU HA H 1 5.353 0.02 . 1 . . . . 14 LEU HA . 15189 1 150 . 1 1 34 34 LEU CB C 13 42.528 0.4 . 1 . . . . 14 LEU CB . 15189 1 151 . 1 1 34 34 LEU HB2 H 1 0.593 0.02 . 2 . . . . 14 LEU HB1 . 15189 1 152 . 1 1 34 34 LEU HB3 H 1 1.482 0.02 . 2 . . . . 14 LEU HB2 . 15189 1 153 . 1 1 34 34 LEU CG C 13 26.302 0.4 . 1 . . . . 14 LEU CG . 15189 1 154 . 1 1 34 34 LEU HG H 1 1.363 0.02 . 1 . . . . 14 LEU HG . 15189 1 155 . 1 1 34 34 LEU CD1 C 13 24.751 0.4 . 2 . . . . 14 LEU CD1 . 15189 1 156 . 1 1 34 34 LEU HD11 H 1 0.515 0.02 . 2 . . . . 14 LEU HD1 . 15189 1 157 . 1 1 34 34 LEU HD12 H 1 0.515 0.02 . 2 . . . . 14 LEU HD1 . 15189 1 158 . 1 1 34 34 LEU HD13 H 1 0.515 0.02 . 2 . . . . 14 LEU HD1 . 15189 1 159 . 1 1 34 34 LEU CD2 C 13 23.528 0.4 . 2 . . . . 14 LEU CD2 . 15189 1 160 . 1 1 34 34 LEU HD21 H 1 0.639 0.02 . 2 . . . . 14 LEU HD2 . 15189 1 161 . 1 1 34 34 LEU HD22 H 1 0.639 0.02 . 2 . . . . 14 LEU HD2 . 15189 1 162 . 1 1 34 34 LEU HD23 H 1 0.639 0.02 . 2 . . . . 14 LEU HD2 . 15189 1 163 . 1 1 35 35 THR N N 15 113.747 0.1 . 1 . . . . 15 THR N . 15189 1 164 . 1 1 35 35 THR H H 1 8.844 0.02 . 1 . . . . 15 THR HN . 15189 1 165 . 1 1 35 35 THR C C 13 174.739 0.4 . 1 . . . . 15 THR CO . 15189 1 166 . 1 1 35 35 THR CA C 13 59.994 0.4 . 1 . . . . 15 THR CA . 15189 1 167 . 1 1 35 35 THR HA H 1 4.649 0.02 . 1 . . . . 15 THR HA . 15189 1 168 . 1 1 35 35 THR CB C 13 71.345 0.4 . 1 . . . . 15 THR CB . 15189 1 169 . 1 1 35 35 THR HB H 1 4.149 0.02 . 1 . . . . 15 THR HB . 15189 1 170 . 1 1 35 35 THR CG2 C 13 21.968 0.4 . 1 . . . . 15 THR CG2 . 15189 1 171 . 1 1 35 35 THR HG21 H 1 0.756 0.02 . 1 . . . . 15 THR HG2 . 15189 1 172 . 1 1 35 35 THR HG22 H 1 0.756 0.02 . 1 . . . . 15 THR HG2 . 15189 1 173 . 1 1 35 35 THR HG23 H 1 0.756 0.02 . 1 . . . . 15 THR HG2 . 15189 1 174 . 1 1 36 36 ARG N N 15 111.353 0.1 . 1 . . . . 16 ARG N . 15189 1 175 . 1 1 36 36 ARG H H 1 8.403 0.02 . 1 . . . . 16 ARG HN . 15189 1 176 . 1 1 36 36 ARG C C 13 175.541 0.4 . 1 . . . . 16 ARG CO . 15189 1 177 . 1 1 36 36 ARG CA C 13 57.162 0.4 . 1 . . . . 16 ARG CA . 15189 1 178 . 1 1 36 36 ARG HA H 1 3.841 0.02 . 1 . . . . 16 ARG HA . 15189 1 179 . 1 1 36 36 ARG CB C 13 27.348 0.4 . 1 . . . . 16 ARG CB . 15189 1 180 . 1 1 36 36 ARG CG C 13 26.896 0.4 . 1 . . . . 16 ARG CG . 15189 1 181 . 1 1 36 36 ARG HG2 H 1 1.576 0.02 . 2 . . . . 16 ARG HG1 . 15189 1 182 . 1 1 36 36 ARG HG3 H 1 2.065 0.02 . 2 . . . . 16 ARG HG2 . 15189 1 183 . 1 1 36 36 ARG CD C 13 43.261 0.4 . 1 . . . . 16 ARG CD . 15189 1 184 . 1 1 36 36 ARG HD2 H 1 2.951 0.02 . 2 . . . . 16 ARG HD1 . 15189 1 185 . 1 1 36 36 ARG HD3 H 1 3.052 0.02 . 2 . . . . 16 ARG HD2 . 15189 1 186 . 1 1 36 36 ARG HB2 H 1 2.058 0.02 . 1 . . . . 16 ARG HB . 15189 1 187 . 1 1 36 36 ARG HB3 H 1 2.058 0.02 . 1 . . . . 16 ARG HB . 15189 1 188 . 1 1 37 37 SER N N 15 113.204 0.1 . 1 . . . . 17 SER N . 15189 1 189 . 1 1 37 37 SER H H 1 7.941 0.02 . 1 . . . . 17 SER HN . 15189 1 190 . 1 1 37 37 SER CA C 13 56.539 0.4 . 1 . . . . 17 SER CA . 15189 1 191 . 1 1 37 37 SER HA H 1 4.784 0.02 . 1 . . . . 17 SER HA . 15189 1 192 . 1 1 37 37 SER CB C 13 65.693 0.4 . 1 . . . . 17 SER CB . 15189 1 193 . 1 1 37 37 SER HB2 H 1 3.758 0.02 . 2 . . . . 17 SER HB1 . 15189 1 194 . 1 1 37 37 SER HB3 H 1 3.874 0.02 . 2 . . . . 17 SER HB2 . 15189 1 195 . 1 1 38 38 ASN C C 13 174.712 0.4 . 1 . . . . 18 ASN CO . 15189 1 196 . 1 1 38 38 ASN CA C 13 53.222 0.4 . 1 . . . . 18 ASN CA . 15189 1 197 . 1 1 38 38 ASN HA H 1 4.779 0.02 . 1 . . . . 18 ASN HA . 15189 1 198 . 1 1 38 38 ASN CB C 13 38.718 0.4 . 1 . . . . 18 ASN CB . 15189 1 199 . 1 1 38 38 ASN HB2 H 1 2.73 0.02 . 2 . . . . 18 ASN HB1 . 15189 1 200 . 1 1 38 38 ASN HB3 H 1 2.875 0.02 . 2 . . . . 18 ASN HB2 . 15189 1 201 . 1 1 39 39 SER N N 15 114.195 0.1 . 1 . . . . 19 SER N . 15189 1 202 . 1 1 39 39 SER H H 1 8.139 0.02 . 1 . . . . 19 SER HN . 15189 1 203 . 1 1 39 39 SER C C 13 174.082 0.4 . 1 . . . . 19 SER CO . 15189 1 204 . 1 1 39 39 SER CA C 13 56.628 0.4 . 1 . . . . 19 SER CA . 15189 1 205 . 1 1 39 39 SER HA H 1 4.684 0.02 . 1 . . . . 19 SER HA . 15189 1 206 . 1 1 39 39 SER CB C 13 64.78 0.4 . 1 . . . . 19 SER CB . 15189 1 207 . 1 1 39 39 SER HB2 H 1 3.611 0.02 . 2 . . . . 19 SER HB1 . 15189 1 208 . 1 1 39 39 SER HB3 H 1 3.851 0.02 . 2 . . . . 19 SER HB2 . 15189 1 209 . 1 1 40 40 LYS N N 15 122.887 0.1 . 1 . . . . 20 LYS N . 15189 1 210 . 1 1 40 40 LYS H H 1 8.437 0.02 . 1 . . . . 20 LYS HN . 15189 1 211 . 1 1 40 40 LYS CA C 13 57.878 0.4 . 1 . . . . 20 LYS CA . 15189 1 212 . 1 1 40 40 LYS HA H 1 4.182 0.02 . 1 . . . . 20 LYS HA . 15189 1 213 . 1 1 40 40 LYS CB C 13 32.852 0.4 . 1 . . . . 20 LYS CB . 15189 1 214 . 1 1 40 40 LYS CG C 13 24.794 0.4 . 1 . . . . 20 LYS CG . 15189 1 215 . 1 1 40 40 LYS CD C 13 29.205 0.4 . 1 . . . . 20 LYS CD . 15189 1 216 . 1 1 40 40 LYS CE C 13 42.105 0.4 . 1 . . . . 20 LYS CE . 15189 1 217 . 1 1 40 40 LYS HB2 H 1 1.827 0.02 . 1 . . . . 20 LYS HB . 15189 1 218 . 1 1 40 40 LYS HB3 H 1 1.827 0.02 . 1 . . . . 20 LYS HB . 15189 1 219 . 1 1 40 40 LYS HG2 H 1 1.459 0.02 . 1 . . . . 20 LYS HG . 15189 1 220 . 1 1 40 40 LYS HG3 H 1 1.459 0.02 . 1 . . . . 20 LYS HG . 15189 1 221 . 1 1 40 40 LYS HD2 H 1 1.673 0.02 . 1 . . . . 20 LYS HD . 15189 1 222 . 1 1 40 40 LYS HD3 H 1 1.673 0.02 . 1 . . . . 20 LYS HD . 15189 1 223 . 1 1 40 40 LYS HE2 H 1 2.999 0.02 . 1 . . . . 20 LYS HE . 15189 1 224 . 1 1 40 40 LYS HE3 H 1 2.999 0.02 . 1 . . . . 20 LYS HE . 15189 1 225 . 1 1 41 41 CYS C C 13 172.4 0.4 . 1 . . . . 21 CYS CO . 15189 1 226 . 1 1 42 42 GLN N N 15 115.697 0.1 . 1 . . . . 22 GLN N . 15189 1 227 . 1 1 42 42 GLN H H 1 7.147 0.02 . 1 . . . . 22 GLN HN . 15189 1 228 . 1 1 42 42 GLN C C 13 173.446 0.4 . 1 . . . . 22 GLN CO . 15189 1 229 . 1 1 42 42 GLN CA C 13 54.097 0.4 . 1 . . . . 22 GLN CA . 15189 1 230 . 1 1 42 42 GLN HA H 1 5.347 0.02 . 1 . . . . 22 GLN HA . 15189 1 231 . 1 1 42 42 GLN CB C 13 32.969 0.4 . 1 . . . . 22 GLN CB . 15189 1 232 . 1 1 42 42 GLN HB2 H 1 2.045 0.02 . 2 . . . . 22 GLN HB1 . 15189 1 233 . 1 1 42 42 GLN HB3 H 1 2.086 0.02 . 2 . . . . 22 GLN HB2 . 15189 1 234 . 1 1 42 42 GLN CG C 13 33.44 0.4 . 1 . . . . 22 GLN CG . 15189 1 235 . 1 1 42 42 GLN HG2 H 1 2.255 0.02 . 1 . . . . 22 GLN HG . 15189 1 236 . 1 1 42 42 GLN HG3 H 1 2.255 0.02 . 1 . . . . 22 GLN HG . 15189 1 237 . 1 1 43 43 GLY N N 15 107.253 0.1 . 1 . . . . 23 GLY N . 15189 1 238 . 1 1 43 43 GLY H H 1 8.19 0.02 . 1 . . . . 23 GLY HN . 15189 1 239 . 1 1 43 43 GLY C C 13 170.949 0.4 . 1 . . . . 23 GLY CO . 15189 1 240 . 1 1 43 43 GLY CA C 13 44.497 0.4 . 1 . . . . 23 GLY CA . 15189 1 241 . 1 1 43 43 GLY HA2 H 1 3.54 0.02 . 1 . . . . 23 GLY HA1 . 15189 1 242 . 1 1 43 43 GLY HA3 H 1 4.382 0.02 . 1 . . . . 23 GLY HA2 . 15189 1 243 . 1 1 44 44 GLN N N 15 121.246 0.1 . 1 . . . . 24 GLN N . 15189 1 244 . 1 1 44 44 GLN H H 1 8.768 0.02 . 1 . . . . 24 GLN HN . 15189 1 245 . 1 1 44 44 GLN C C 13 175.464 0.4 . 1 . . . . 24 GLN CO . 15189 1 246 . 1 1 44 44 GLN CA C 13 55.466 0.4 . 1 . . . . 24 GLN CA . 15189 1 247 . 1 1 44 44 GLN HA H 1 4.053 0.02 . 1 . . . . 24 GLN HA . 15189 1 248 . 1 1 44 44 GLN CB C 13 30.127 0.4 . 1 . . . . 24 GLN CB . 15189 1 249 . 1 1 44 44 GLN HB2 H 1 1.421 0.02 . 2 . . . . 24 GLN HB1 . 15189 1 250 . 1 1 44 44 GLN HB3 H 1 1.998 0.02 . 2 . . . . 24 GLN HB2 . 15189 1 251 . 1 1 44 44 GLN CG C 13 35.115 0.4 . 1 . . . . 24 GLN CG . 15189 1 252 . 1 1 44 44 GLN HG2 H 1 1.987 0.02 . 1 . . . . 24 GLN HG . 15189 1 253 . 1 1 44 44 GLN HG3 H 1 1.987 0.02 . 1 . . . . 24 GLN HG . 15189 1 254 . 1 1 45 45 LEU N N 15 126.508 0.1 . 1 . . . . 25 LEU N . 15189 1 255 . 1 1 45 45 LEU H H 1 8.304 0.02 . 1 . . . . 25 LEU HN . 15189 1 256 . 1 1 45 45 LEU C C 13 175.3 0.4 . 1 . . . . 25 LEU CO . 15189 1 257 . 1 1 45 45 LEU CA C 13 55.693 0.4 . 1 . . . . 25 LEU CA . 15189 1 258 . 1 1 45 45 LEU HA H 1 4.559 0.02 . 1 . . . . 25 LEU HA . 15189 1 259 . 1 1 45 45 LEU CB C 13 43.025 0.4 . 1 . . . . 25 LEU CB . 15189 1 260 . 1 1 45 45 LEU HB2 H 1 1.13 0.02 . 2 . . . . 25 LEU HB1 . 15189 1 261 . 1 1 45 45 LEU HB3 H 1 1.963 0.02 . 2 . . . . 25 LEU HB2 . 15189 1 262 . 1 1 45 45 LEU CG C 13 27.698 0.4 . 1 . . . . 25 LEU CG . 15189 1 263 . 1 1 45 45 LEU HG H 1 1.632 0.02 . 1 . . . . 25 LEU HG . 15189 1 264 . 1 1 45 45 LEU CD1 C 13 24.319 0.4 . 2 . . . . 25 LEU CD1 . 15189 1 265 . 1 1 45 45 LEU HD11 H 1 0.931 0.02 . 2 . . . . 25 LEU HD1 . 15189 1 266 . 1 1 45 45 LEU HD12 H 1 0.931 0.02 . 2 . . . . 25 LEU HD1 . 15189 1 267 . 1 1 45 45 LEU HD13 H 1 0.931 0.02 . 2 . . . . 25 LEU HD1 . 15189 1 268 . 1 1 45 45 LEU CD2 C 13 26.533 0.4 . 2 . . . . 25 LEU CD2 . 15189 1 269 . 1 1 45 45 LEU HD21 H 1 1.129 0.02 . 2 . . . . 25 LEU HD2 . 15189 1 270 . 1 1 45 45 LEU HD22 H 1 1.129 0.02 . 2 . . . . 25 LEU HD2 . 15189 1 271 . 1 1 45 45 LEU HD23 H 1 1.129 0.02 . 2 . . . . 25 LEU HD2 . 15189 1 272 . 1 1 46 46 GLU N N 15 126.891 0.1 . 1 . . . . 26 GLU N . 15189 1 273 . 1 1 46 46 GLU H H 1 9.135 0.02 . 1 . . . . 26 GLU HN . 15189 1 274 . 1 1 46 46 GLU C C 13 175.52 0.4 . 1 . . . . 26 GLU CO . 15189 1 275 . 1 1 46 46 GLU CA C 13 54.462 0.4 . 1 . . . . 26 GLU CA . 15189 1 276 . 1 1 46 46 GLU HA H 1 5.466 0.02 . 1 . . . . 26 GLU HA . 15189 1 277 . 1 1 46 46 GLU CB C 13 33.596 0.4 . 1 . . . . 26 GLU CB . 15189 1 278 . 1 1 46 46 GLU HB2 H 1 1.671 0.02 . 2 . . . . 26 GLU HB1 . 15189 1 279 . 1 1 46 46 GLU HB3 H 1 2.006 0.02 . 2 . . . . 26 GLU HB2 . 15189 1 280 . 1 1 46 46 GLU CG C 13 37.079 0.4 . 1 . . . . 26 GLU CG . 15189 1 281 . 1 1 46 46 GLU HG2 H 1 1.984 0.02 . 2 . . . . 26 GLU HG1 . 15189 1 282 . 1 1 46 46 GLU HG3 H 1 2.272 0.02 . 2 . . . . 26 GLU HG2 . 15189 1 283 . 1 1 47 47 VAL N N 15 114.145 0.1 . 1 . . . . 27 VAL N . 15189 1 284 . 1 1 47 47 VAL H H 1 8.882 0.02 . 1 . . . . 27 VAL HN . 15189 1 285 . 1 1 47 47 VAL C C 13 173.935 0.4 . 1 . . . . 27 VAL CO . 15189 1 286 . 1 1 47 47 VAL CA C 13 58.818 0.4 . 1 . . . . 27 VAL CA . 15189 1 287 . 1 1 47 47 VAL HA H 1 5.087 0.02 . 1 . . . . 27 VAL HA . 15189 1 288 . 1 1 47 47 VAL CB C 13 35 0.4 . 1 . . . . 27 VAL CB . 15189 1 289 . 1 1 47 47 VAL HB H 1 1.692 0.02 . 1 . . . . 27 VAL HB . 15189 1 290 . 1 1 47 47 VAL CG1 C 13 19.105 0.4 . 2 . . . . 27 VAL CG1 . 15189 1 291 . 1 1 47 47 VAL HG11 H 1 0.718 0.02 . 2 . . . . 27 VAL HG1 . 15189 1 292 . 1 1 47 47 VAL HG12 H 1 0.718 0.02 . 2 . . . . 27 VAL HG1 . 15189 1 293 . 1 1 47 47 VAL HG13 H 1 0.718 0.02 . 2 . . . . 27 VAL HG1 . 15189 1 294 . 1 1 47 47 VAL CG2 C 13 21.432 0.4 . 2 . . . . 27 VAL CG2 . 15189 1 295 . 1 1 47 47 VAL HG21 H 1 0.79 0.02 . 2 . . . . 27 VAL HG2 . 15189 1 296 . 1 1 47 47 VAL HG22 H 1 0.79 0.02 . 2 . . . . 27 VAL HG2 . 15189 1 297 . 1 1 47 47 VAL HG23 H 1 0.79 0.02 . 2 . . . . 27 VAL HG2 . 15189 1 298 . 1 1 48 48 TYR N N 15 126.858 0.1 . 1 . . . . 28 TYR N . 15189 1 299 . 1 1 48 48 TYR H H 1 7.314 0.02 . 1 . . . . 28 TYR HN . 15189 1 300 . 1 1 48 48 TYR C C 13 174.575 0.4 . 1 . . . . 28 TYR CO . 15189 1 301 . 1 1 48 48 TYR CA C 13 56.978 0.4 . 1 . . . . 28 TYR CA . 15189 1 302 . 1 1 48 48 TYR HA H 1 3.884 0.02 . 1 . . . . 28 TYR HA . 15189 1 303 . 1 1 48 48 TYR CB C 13 37.557 0.4 . 1 . . . . 28 TYR CB . 15189 1 304 . 1 1 48 48 TYR HB2 H 1 0.177 0.02 . 2 . . . . 28 TYR HB1 . 15189 1 305 . 1 1 48 48 TYR HB3 H 1 2.037 0.02 . 2 . . . . 28 TYR HB2 . 15189 1 306 . 1 1 48 48 TYR CD1 C 13 132.43 0.4 . 1 . . . . 28 TYR CD . 15189 1 307 . 1 1 48 48 TYR CD2 C 13 132.43 0.4 . 1 . . . . 28 TYR CD . 15189 1 308 . 1 1 48 48 TYR HD1 H 1 5.367 0.02 . 1 . . . . 28 TYR HD . 15189 1 309 . 1 1 48 48 TYR HD2 H 1 5.367 0.02 . 1 . . . . 28 TYR HD . 15189 1 310 . 1 1 48 48 TYR CE1 C 13 117.201 0.4 . 1 . . . . 28 TYR CE . 15189 1 311 . 1 1 48 48 TYR CE2 C 13 117.201 0.4 . 1 . . . . 28 TYR CE . 15189 1 312 . 1 1 48 48 TYR HE1 H 1 6.286 0.02 . 1 . . . . 28 TYR HE . 15189 1 313 . 1 1 48 48 TYR HE2 H 1 6.286 0.02 . 1 . . . . 28 TYR HE . 15189 1 314 . 1 1 49 49 LEU N N 15 127.271 0.1 . 1 . . . . 29 LEU N . 15189 1 315 . 1 1 49 49 LEU H H 1 7.7 0.02 . 1 . . . . 29 LEU HN . 15189 1 316 . 1 1 49 49 LEU C C 13 176.235 0.4 . 1 . . . . 29 LEU CO . 15189 1 317 . 1 1 49 49 LEU CA C 13 53.277 0.4 . 1 . . . . 29 LEU CA . 15189 1 318 . 1 1 49 49 LEU HA H 1 4.437 0.02 . 1 . . . . 29 LEU HA . 15189 1 319 . 1 1 49 49 LEU CB C 13 44.065 0.4 . 1 . . . . 29 LEU CB . 15189 1 320 . 1 1 49 49 LEU HB2 H 1 1.421 0.02 . 2 . . . . 29 LEU HB1 . 15189 1 321 . 1 1 49 49 LEU HB3 H 1 1.638 0.02 . 2 . . . . 29 LEU HB2 . 15189 1 322 . 1 1 49 49 LEU CG C 13 27.464 0.4 . 1 . . . . 29 LEU CG . 15189 1 323 . 1 1 49 49 LEU HG H 1 1.404 0.02 . 1 . . . . 29 LEU HG . 15189 1 324 . 1 1 49 49 LEU CD1 C 13 25.462 0.4 . 2 . . . . 29 LEU CD1 . 15189 1 325 . 1 1 49 49 LEU HD11 H 1 0.805 0.02 . 2 . . . . 29 LEU HD1 . 15189 1 326 . 1 1 49 49 LEU HD12 H 1 0.805 0.02 . 2 . . . . 29 LEU HD1 . 15189 1 327 . 1 1 49 49 LEU HD13 H 1 0.805 0.02 . 2 . . . . 29 LEU HD1 . 15189 1 328 . 1 1 49 49 LEU CD2 C 13 23.84 0.4 . 2 . . . . 29 LEU CD2 . 15189 1 329 . 1 1 49 49 LEU HD21 H 1 0.817 0.02 . 2 . . . . 29 LEU HD2 . 15189 1 330 . 1 1 49 49 LEU HD22 H 1 0.817 0.02 . 2 . . . . 29 LEU HD2 . 15189 1 331 . 1 1 49 49 LEU HD23 H 1 0.817 0.02 . 2 . . . . 29 LEU HD2 . 15189 1 332 . 1 1 50 50 LYS N N 15 119.323 0.1 . 1 . . . . 30 LYS N . 15189 1 333 . 1 1 50 50 LYS H H 1 8.294 0.02 . 1 . . . . 30 LYS HN . 15189 1 334 . 1 1 50 50 LYS C C 13 176.382 0.4 . 1 . . . . 30 LYS CO . 15189 1 335 . 1 1 50 50 LYS CA C 13 59.26 0.4 . 1 . . . . 30 LYS CA . 15189 1 336 . 1 1 50 50 LYS HA H 1 3.677 0.02 . 1 . . . . 30 LYS HA . 15189 1 337 . 1 1 50 50 LYS CB C 13 31.259 0.4 . 1 . . . . 30 LYS CB . 15189 1 338 . 1 1 50 50 LYS CG C 13 24.901 0.4 . 1 . . . . 30 LYS CG . 15189 1 339 . 1 1 50 50 LYS CD C 13 29.013 0.4 . 1 . . . . 30 LYS CD . 15189 1 340 . 1 1 50 50 LYS CE C 13 41.966 0.4 . 1 . . . . 30 LYS CE . 15189 1 341 . 1 1 50 50 LYS HB2 H 1 1.79 0.02 . 1 . . . . 30 LYS HB . 15189 1 342 . 1 1 50 50 LYS HB3 H 1 1.79 0.02 . 1 . . . . 30 LYS HB . 15189 1 343 . 1 1 50 50 LYS HG2 H 1 1.321 0.02 . 1 . . . . 30 LYS HG . 15189 1 344 . 1 1 50 50 LYS HG3 H 1 1.321 0.02 . 1 . . . . 30 LYS HG . 15189 1 345 . 1 1 50 50 LYS HD2 H 1 1.598 0.02 . 1 . . . . 30 LYS HD . 15189 1 346 . 1 1 50 50 LYS HD3 H 1 1.598 0.02 . 1 . . . . 30 LYS HD . 15189 1 347 . 1 1 50 50 LYS HE2 H 1 2.925 0.02 . 1 . . . . 30 LYS HE . 15189 1 348 . 1 1 50 50 LYS HE3 H 1 2.925 0.02 . 1 . . . . 30 LYS HE . 15189 1 349 . 1 1 51 51 ASP N N 15 115.338 0.1 . 1 . . . . 31 ASP N . 15189 1 350 . 1 1 51 51 ASP H H 1 8.333 0.02 . 1 . . . . 31 ASP HN . 15189 1 351 . 1 1 51 51 ASP C C 13 175.335 0.4 . 1 . . . . 31 ASP CO . 15189 1 352 . 1 1 51 51 ASP CA C 13 53.191 0.4 . 1 . . . . 31 ASP CA . 15189 1 353 . 1 1 51 51 ASP HA H 1 4.373 0.02 . 1 . . . . 31 ASP HA . 15189 1 354 . 1 1 51 51 ASP CB C 13 40.149 0.4 . 1 . . . . 31 ASP CB . 15189 1 355 . 1 1 51 51 ASP HB2 H 1 2.531 0.02 . 2 . . . . 31 ASP HB1 . 15189 1 356 . 1 1 51 51 ASP HB3 H 1 2.866 0.02 . 2 . . . . 31 ASP HB2 . 15189 1 357 . 1 1 52 52 GLY N N 15 107.061 0.1 . 1 . . . . 32 GLY N . 15189 1 358 . 1 1 52 52 GLY H H 1 6.828 0.02 . 1 . . . . 32 GLY HN . 15189 1 359 . 1 1 52 52 GLY C C 13 171.236 0.4 . 1 . . . . 32 GLY CO . 15189 1 360 . 1 1 52 52 GLY CA C 13 44.248 0.4 . 1 . . . . 32 GLY CA . 15189 1 361 . 1 1 52 52 GLY HA2 H 1 3.322 0.02 . 1 . . . . 32 GLY HA1 . 15189 1 362 . 1 1 52 52 GLY HA3 H 1 3.967 0.02 . 1 . . . . 32 GLY HA2 . 15189 1 363 . 1 1 53 53 TRP N N 15 119.221 0.1 . 1 . . . . 33 TRP N . 15189 1 364 . 1 1 53 53 TRP H H 1 7.938 0.02 . 1 . . . . 33 TRP HN . 15189 1 365 . 1 1 53 53 TRP C C 13 177.931 0.4 . 1 . . . . 33 TRP CO . 15189 1 366 . 1 1 53 53 TRP NE1 N 15 129.884 0.1 . 1 . . . . 33 TRP NE1 . 15189 1 367 . 1 1 53 53 TRP HE1 H 1 9.905 0.02 . 1 . . . . 33 TRP HE1 . 15189 1 368 . 1 1 53 53 TRP CA C 13 56.769 0.4 . 1 . . . . 33 TRP CA . 15189 1 369 . 1 1 53 53 TRP HA H 1 4.796 0.02 . 1 . . . . 33 TRP HA . 15189 1 370 . 1 1 53 53 TRP CB C 13 30.787 0.4 . 1 . . . . 33 TRP CB . 15189 1 371 . 1 1 53 53 TRP HB2 H 1 2.81 0.02 . 2 . . . . 33 TRP HB1 . 15189 1 372 . 1 1 53 53 TRP HB3 H 1 2.995 0.02 . 2 . . . . 33 TRP HB2 . 15189 1 373 . 1 1 53 53 TRP CD1 C 13 127.694 0.4 . 1 . . . . 33 TRP CD1 . 15189 1 374 . 1 1 53 53 TRP HD1 H 1 7.255 0.02 . 1 . . . . 33 TRP HD1 . 15189 1 375 . 1 1 53 53 TRP CE3 C 13 119.626 0.4 . 1 . . . . 33 TRP CE3 . 15189 1 376 . 1 1 53 53 TRP HE3 H 1 7.015 0.02 . 1 . . . . 33 TRP HE3 . 15189 1 377 . 1 1 53 53 TRP CZ2 C 13 114.886 0.4 . 1 . . . . 33 TRP CZ2 . 15189 1 378 . 1 1 53 53 TRP HZ2 H 1 7.137 0.02 . 1 . . . . 33 TRP HZ2 . 15189 1 379 . 1 1 53 53 TRP CZ3 C 13 123.323 0.4 . 1 . . . . 33 TRP CZ3 . 15189 1 380 . 1 1 53 53 TRP HZ3 H 1 6.676 0.02 . 1 . . . . 33 TRP HZ3 . 15189 1 381 . 1 1 53 53 TRP CH2 C 13 122.219 0.4 . 1 . . . . 33 TRP CH2 . 15189 1 382 . 1 1 53 53 TRP HH2 H 1 6.675 0.02 . 1 . . . . 33 TRP HH2 . 15189 1 383 . 1 1 54 54 HIS N N 15 117.884 0.1 . 1 . . . . 34 HIS N . 15189 1 384 . 1 1 54 54 HIS H H 1 9.154 0.02 . 1 . . . . 34 HIS HN . 15189 1 385 . 1 1 54 54 HIS C C 13 174.931 0.4 . 1 . . . . 34 HIS CO . 15189 1 386 . 1 1 54 54 HIS CA C 13 54.919 0.4 . 1 . . . . 34 HIS CA . 15189 1 387 . 1 1 54 54 HIS HA H 1 5.014 0.02 . 1 . . . . 34 HIS HA . 15189 1 388 . 1 1 54 54 HIS CB C 13 33.415 0.4 . 1 . . . . 34 HIS CB . 15189 1 389 . 1 1 54 54 HIS HB2 H 1 2.656 0.02 . 2 . . . . 34 HIS HB1 . 15189 1 390 . 1 1 54 54 HIS HB3 H 1 3.291 0.02 . 2 . . . . 34 HIS HB2 . 15189 1 391 . 1 1 55 55 MET N N 15 121.928 0.1 . 1 . . . . 35 MET N . 15189 1 392 . 1 1 55 55 MET H H 1 8.457 0.02 . 1 . . . . 35 MET HN . 15189 1 393 . 1 1 55 55 MET C C 13 174.196 0.4 . 1 . . . . 35 MET CO . 15189 1 394 . 1 1 55 55 MET CA C 13 55.946 0.4 . 1 . . . . 35 MET CA . 15189 1 395 . 1 1 55 55 MET HA H 1 5.136 0.02 . 1 . . . . 35 MET HA . 15189 1 396 . 1 1 55 55 MET CB C 13 32.552 0.4 . 1 . . . . 35 MET CB . 15189 1 397 . 1 1 55 55 MET HB2 H 1 2.063 0.02 . 2 . . . . 35 MET HB1 . 15189 1 398 . 1 1 55 55 MET HB3 H 1 2.174 0.02 . 2 . . . . 35 MET HB2 . 15189 1 399 . 1 1 55 55 MET CG C 13 32.5 0.4 . 1 . . . . 35 MET CG . 15189 1 400 . 1 1 55 55 MET HG2 H 1 2.46 0.02 . 2 . . . . 35 MET HG1 . 15189 1 401 . 1 1 55 55 MET HG3 H 1 2.498 0.02 . 2 . . . . 35 MET HG2 . 15189 1 402 . 1 1 55 55 MET CE C 13 18.405 0.4 . 1 . . . . 35 MET CE . 15189 1 403 . 1 1 55 55 MET HE1 H 1 2.026 0.02 . 1 . . . . 35 MET HE . 15189 1 404 . 1 1 55 55 MET HE2 H 1 2.026 0.02 . 1 . . . . 35 MET HE . 15189 1 405 . 1 1 55 55 MET HE3 H 1 2.026 0.02 . 1 . . . . 35 MET HE . 15189 1 406 . 1 1 56 56 VAL N N 15 122.395 0.1 . 1 . . . . 36 VAL N . 15189 1 407 . 1 1 56 56 VAL H H 1 8.627 0.02 . 1 . . . . 36 VAL HN . 15189 1 408 . 1 1 56 56 VAL C C 13 175.575 0.4 . 1 . . . . 36 VAL CO . 15189 1 409 . 1 1 56 56 VAL CA C 13 61.612 0.4 . 1 . . . . 36 VAL CA . 15189 1 410 . 1 1 56 56 VAL HA H 1 4.387 0.02 . 1 . . . . 36 VAL HA . 15189 1 411 . 1 1 56 56 VAL CB C 13 34.25 0.4 . 1 . . . . 36 VAL CB . 15189 1 412 . 1 1 56 56 VAL HB H 1 2.098 0.02 . 1 . . . . 36 VAL HB . 15189 1 413 . 1 1 56 56 VAL CG1 C 13 21.182 0.4 . 2 . . . . 36 VAL CG1 . 15189 1 414 . 1 1 56 56 VAL HG11 H 1 0.777 0.02 . 2 . . . . 36 VAL HG1 . 15189 1 415 . 1 1 56 56 VAL HG12 H 1 0.777 0.02 . 2 . . . . 36 VAL HG1 . 15189 1 416 . 1 1 56 56 VAL HG13 H 1 0.777 0.02 . 2 . . . . 36 VAL HG1 . 15189 1 417 . 1 1 56 56 VAL CG2 C 13 22.655 0.4 . 2 . . . . 36 VAL CG2 . 15189 1 418 . 1 1 56 56 VAL HG21 H 1 1.162 0.02 . 2 . . . . 36 VAL HG2 . 15189 1 419 . 1 1 56 56 VAL HG22 H 1 1.162 0.02 . 2 . . . . 36 VAL HG2 . 15189 1 420 . 1 1 56 56 VAL HG23 H 1 1.162 0.02 . 2 . . . . 36 VAL HG2 . 15189 1 421 . 1 1 57 57 CYS N N 15 123.839 0.1 . 1 . . . . 37 CYS N . 15189 1 422 . 1 1 57 57 CYS H H 1 9.069 0.02 . 1 . . . . 37 CYS HN . 15189 1 423 . 1 1 57 57 CYS C C 13 177.893 0.4 . 1 . . . . 37 CYS CO . 15189 1 424 . 1 1 57 57 CYS CA C 13 55.445 0.4 . 1 . . . . 37 CYS CA . 15189 1 425 . 1 1 57 57 CYS HA H 1 4.695 0.02 . 1 . . . . 37 CYS HA . 15189 1 426 . 1 1 57 57 CYS CB C 13 38.263 0.4 . 1 . . . . 37 CYS CB . 15189 1 427 . 1 1 57 57 CYS HB2 H 1 2.619 0.02 . 2 . . . . 37 CYS HB1 . 15189 1 428 . 1 1 57 57 CYS HB3 H 1 3.4 0.02 . 2 . . . . 37 CYS HB2 . 15189 1 429 . 1 1 58 58 SER N N 15 121.008 0.1 . 1 . . . . 38 SER N . 15189 1 430 . 1 1 58 58 SER H H 1 9.394 0.02 . 1 . . . . 38 SER HN . 15189 1 431 . 1 1 58 58 SER C C 13 173.681 0.4 . 1 . . . . 38 SER CO . 15189 1 432 . 1 1 58 58 SER CA C 13 62.32 0.4 . 1 . . . . 38 SER CA . 15189 1 433 . 1 1 58 58 SER HA H 1 4.073 0.02 . 1 . . . . 38 SER HA . 15189 1 434 . 1 1 58 58 SER CB C 13 63.101 0.4 . 1 . . . . 38 SER CB . 15189 1 435 . 1 1 58 58 SER HB2 H 1 3.74 0.02 . 2 . . . . 38 SER HB1 . 15189 1 436 . 1 1 58 58 SER HB3 H 1 4.107 0.02 . 2 . . . . 38 SER HB2 . 15189 1 437 . 1 1 59 59 GLN N N 15 120.169 0.1 . 1 . . . . 39 GLN N . 15189 1 438 . 1 1 59 59 GLN H H 1 8.454 0.02 . 1 . . . . 39 GLN HN . 15189 1 439 . 1 1 59 59 GLN C C 13 175.547 0.4 . 1 . . . . 39 GLN CO . 15189 1 440 . 1 1 59 59 GLN CA C 13 56.116 0.4 . 1 . . . . 39 GLN CA . 15189 1 441 . 1 1 59 59 GLN HA H 1 4.747 0.02 . 1 . . . . 39 GLN HA . 15189 1 442 . 1 1 59 59 GLN CB C 13 27.684 0.4 . 1 . . . . 39 GLN CB . 15189 1 443 . 1 1 59 59 GLN CG C 13 34.303 0.4 . 1 . . . . 39 GLN CG . 15189 1 444 . 1 1 59 59 GLN HG2 H 1 2.135 0.02 . 2 . . . . 39 GLN HG1 . 15189 1 445 . 1 1 59 59 GLN HG3 H 1 2.465 0.02 . 2 . . . . 39 GLN HG2 . 15189 1 446 . 1 1 59 59 GLN HB2 H 1 2.081 0.02 . 1 . . . . 39 GLN HB . 15189 1 447 . 1 1 59 59 GLN HB3 H 1 2.081 0.02 . 1 . . . . 39 GLN HB . 15189 1 448 . 1 1 60 60 SER N N 15 117.113 0.1 . 1 . . . . 40 SER N . 15189 1 449 . 1 1 60 60 SER H H 1 7.424 0.02 . 1 . . . . 40 SER HN . 15189 1 450 . 1 1 60 60 SER C C 13 172.608 0.4 . 1 . . . . 40 SER CO . 15189 1 451 . 1 1 60 60 SER CA C 13 61.005 0.4 . 1 . . . . 40 SER CA . 15189 1 452 . 1 1 60 60 SER HA H 1 3.848 0.02 . 1 . . . . 40 SER HA . 15189 1 453 . 1 1 60 60 SER CB C 13 63.751 0.4 . 1 . . . . 40 SER CB . 15189 1 454 . 1 1 60 60 SER HB2 H 1 1.719 0.02 . 2 . . . . 40 SER HB1 . 15189 1 455 . 1 1 60 60 SER HB3 H 1 2.793 0.02 . 2 . . . . 40 SER HB2 . 15189 1 456 . 1 1 61 61 TRP N N 15 115.616 0.1 . 1 . . . . 41 TRP N . 15189 1 457 . 1 1 61 61 TRP H H 1 8.385 0.02 . 1 . . . . 41 TRP HN . 15189 1 458 . 1 1 61 61 TRP C C 13 176.487 0.4 . 1 . . . . 41 TRP CO . 15189 1 459 . 1 1 61 61 TRP NE1 N 15 131.598 0.1 . 1 . . . . 41 TRP NE1 . 15189 1 460 . 1 1 61 61 TRP HE1 H 1 10.255 0.02 . 1 . . . . 41 TRP HE1 . 15189 1 461 . 1 1 61 61 TRP CA C 13 59.426 0.4 . 1 . . . . 41 TRP CA . 15189 1 462 . 1 1 61 61 TRP HA H 1 4.141 0.02 . 1 . . . . 41 TRP HA . 15189 1 463 . 1 1 61 61 TRP CB C 13 24.476 0.4 . 1 . . . . 41 TRP CB . 15189 1 464 . 1 1 61 61 TRP HB2 H 1 3.13 0.02 . 2 . . . . 41 TRP HB1 . 15189 1 465 . 1 1 61 61 TRP HB3 H 1 3.328 0.02 . 2 . . . . 41 TRP HB2 . 15189 1 466 . 1 1 61 61 TRP CD1 C 13 127.502 0.4 . 1 . . . . 41 TRP CD1 . 15189 1 467 . 1 1 61 61 TRP HD1 H 1 6.311 0.02 . 1 . . . . 41 TRP HD1 . 15189 1 468 . 1 1 61 61 TRP CE3 C 13 121.325 0.4 . 1 . . . . 41 TRP CE3 . 15189 1 469 . 1 1 61 61 TRP HE3 H 1 7.224 0.02 . 1 . . . . 41 TRP HE3 . 15189 1 470 . 1 1 61 61 TRP CZ2 C 13 113.379 0.4 . 1 . . . . 41 TRP CZ2 . 15189 1 471 . 1 1 61 61 TRP HZ2 H 1 5.638 0.02 . 1 . . . . 41 TRP HZ2 . 15189 1 472 . 1 1 61 61 TRP CZ3 C 13 123.621 0.4 . 1 . . . . 41 TRP CZ3 . 15189 1 473 . 1 1 61 61 TRP HZ3 H 1 6.436 0.02 . 1 . . . . 41 TRP HZ3 . 15189 1 474 . 1 1 61 61 TRP CH2 C 13 121.41 0.4 . 1 . . . . 41 TRP CH2 . 15189 1 475 . 1 1 61 61 TRP HH2 H 1 6.864 0.02 . 1 . . . . 41 TRP HH2 . 15189 1 476 . 1 1 62 62 GLY N N 15 105.538 0.1 . 1 . . . . 42 GLY N . 15189 1 477 . 1 1 62 62 GLY H H 1 8.17 0.02 . 1 . . . . 42 GLY HN . 15189 1 478 . 1 1 62 62 GLY C C 13 175.346 0.4 . 1 . . . . 42 GLY CO . 15189 1 479 . 1 1 62 62 GLY CA C 13 46.043 0.4 . 1 . . . . 42 GLY CA . 15189 1 480 . 1 1 62 62 GLY HA2 H 1 3.85 0.02 . 1 . . . . 42 GLY HA1 . 15189 1 481 . 1 1 62 62 GLY HA3 H 1 4.003 0.02 . 1 . . . . 42 GLY HA2 . 15189 1 482 . 1 1 63 63 ARG N N 15 119.895 0.1 . 1 . . . . 43 ARG N . 15189 1 483 . 1 1 63 63 ARG H H 1 7.203 0.02 . 1 . . . . 43 ARG HN . 15189 1 484 . 1 1 63 63 ARG C C 13 176.553 0.4 . 1 . . . . 43 ARG CO . 15189 1 485 . 1 1 63 63 ARG CA C 13 55.679 0.4 . 1 . . . . 43 ARG CA . 15189 1 486 . 1 1 63 63 ARG HA H 1 4.188 0.02 . 1 . . . . 43 ARG HA . 15189 1 487 . 1 1 63 63 ARG CB C 13 30.431 0.4 . 1 . . . . 43 ARG CB . 15189 1 488 . 1 1 63 63 ARG HB2 H 1 1.766 0.02 . 2 . . . . 43 ARG HB1 . 15189 1 489 . 1 1 63 63 ARG HB3 H 1 2.173 0.02 . 2 . . . . 43 ARG HB2 . 15189 1 490 . 1 1 63 63 ARG CG C 13 27.2 0.4 . 1 . . . . 43 ARG CG . 15189 1 491 . 1 1 63 63 ARG CD C 13 42.448 0.4 . 1 . . . . 43 ARG CD . 15189 1 492 . 1 1 63 63 ARG HD2 H 1 2.567 0.02 . 2 . . . . 43 ARG HD1 . 15189 1 493 . 1 1 63 63 ARG HD3 H 1 2.674 0.02 . 2 . . . . 43 ARG HD2 . 15189 1 494 . 1 1 63 63 ARG HG2 H 1 1.455 0.02 . 1 . . . . 43 ARG HG . 15189 1 495 . 1 1 63 63 ARG HG3 H 1 1.455 0.02 . 1 . . . . 43 ARG HG . 15189 1 496 . 1 1 64 64 SER N N 15 114.627 0.1 . 1 . . . . 44 SER N . 15189 1 497 . 1 1 64 64 SER H H 1 8.09 0.02 . 1 . . . . 44 SER HN . 15189 1 498 . 1 1 64 64 SER C C 13 175.259 0.4 . 1 . . . . 44 SER CO . 15189 1 499 . 1 1 64 64 SER CA C 13 57.56 0.4 . 1 . . . . 44 SER CA . 15189 1 500 . 1 1 64 64 SER HA H 1 4.547 0.02 . 1 . . . . 44 SER HA . 15189 1 501 . 1 1 64 64 SER CB C 13 64.212 0.4 . 1 . . . . 44 SER CB . 15189 1 502 . 1 1 64 64 SER HB2 H 1 3.874 0.02 . 2 . . . . 44 SER HB1 . 15189 1 503 . 1 1 64 64 SER HB3 H 1 3.969 0.02 . 2 . . . . 44 SER HB2 . 15189 1 504 . 1 1 65 65 SER N N 15 116.655 0.1 . 1 . . . . 45 SER N . 15189 1 505 . 1 1 65 65 SER H H 1 8.428 0.02 . 1 . . . . 45 SER HN . 15189 1 506 . 1 1 65 65 SER C C 13 174.345 0.4 . 1 . . . . 45 SER CO . 15189 1 507 . 1 1 65 65 SER CA C 13 59.125 0.4 . 1 . . . . 45 SER CA . 15189 1 508 . 1 1 65 65 SER HA H 1 4.251 0.02 . 1 . . . . 45 SER HA . 15189 1 509 . 1 1 65 65 SER CB C 13 62.438 0.4 . 1 . . . . 45 SER CB . 15189 1 510 . 1 1 65 65 SER HB2 H 1 3.829 0.02 . 2 . . . . 45 SER HB1 . 15189 1 511 . 1 1 65 65 SER HB3 H 1 3.883 0.02 . 2 . . . . 45 SER HB2 . 15189 1 512 . 1 1 66 66 LYS N N 15 120.615 0.1 . 1 . . . . 46 LYS N . 15189 1 513 . 1 1 66 66 LYS H H 1 7.916 0.02 . 1 . . . . 46 LYS HN . 15189 1 514 . 1 1 66 66 LYS C C 13 176.26 0.4 . 1 . . . . 46 LYS CO . 15189 1 515 . 1 1 66 66 LYS CA C 13 55.704 0.4 . 1 . . . . 46 LYS CA . 15189 1 516 . 1 1 66 66 LYS HA H 1 4.399 0.02 . 1 . . . . 46 LYS HA . 15189 1 517 . 1 1 66 66 LYS CB C 13 33.739 0.4 . 1 . . . . 46 LYS CB . 15189 1 518 . 1 1 66 66 LYS HB2 H 1 1.716 0.02 . 2 . . . . 46 LYS HB1 . 15189 1 519 . 1 1 66 66 LYS HB3 H 1 1.894 0.02 . 2 . . . . 46 LYS HB2 . 15189 1 520 . 1 1 66 66 LYS CG C 13 24.499 0.4 . 1 . . . . 46 LYS CG . 15189 1 521 . 1 1 66 66 LYS CD C 13 29.088 0.4 . 1 . . . . 46 LYS CD . 15189 1 522 . 1 1 66 66 LYS CE C 13 41.986 0.4 . 1 . . . . 46 LYS CE . 15189 1 523 . 1 1 66 66 LYS HG2 H 1 1.371 0.02 . 1 . . . . 46 LYS HG . 15189 1 524 . 1 1 66 66 LYS HG3 H 1 1.371 0.02 . 1 . . . . 46 LYS HG . 15189 1 525 . 1 1 66 66 LYS HD2 H 1 1.66 0.02 . 1 . . . . 46 LYS HD . 15189 1 526 . 1 1 66 66 LYS HD3 H 1 1.66 0.02 . 1 . . . . 46 LYS HD . 15189 1 527 . 1 1 66 66 LYS HE2 H 1 2.971 0.02 . 1 . . . . 46 LYS HE . 15189 1 528 . 1 1 66 66 LYS HE3 H 1 2.971 0.02 . 1 . . . . 46 LYS HE . 15189 1 529 . 1 1 67 67 GLN N N 15 119.312 0.1 . 1 . . . . 47 GLN N . 15189 1 530 . 1 1 67 67 GLN H H 1 8.06 0.02 . 1 . . . . 47 GLN HN . 15189 1 531 . 1 1 67 67 GLN C C 13 176.212 0.4 . 1 . . . . 47 GLN CO . 15189 1 532 . 1 1 67 67 GLN CA C 13 56.67 0.4 . 1 . . . . 47 GLN CA . 15189 1 533 . 1 1 67 67 GLN HA H 1 4.481 0.02 . 1 . . . . 47 GLN HA . 15189 1 534 . 1 1 67 67 GLN CB C 13 29.165 0.4 . 1 . . . . 47 GLN CB . 15189 1 535 . 1 1 67 67 GLN CG C 13 34.016 0.4 . 1 . . . . 47 GLN CG . 15189 1 536 . 1 1 67 67 GLN HB2 H 1 2.061 0.02 . 1 . . . . 47 GLN HB . 15189 1 537 . 1 1 67 67 GLN HB3 H 1 2.061 0.02 . 1 . . . . 47 GLN HB . 15189 1 538 . 1 1 67 67 GLN HG2 H 1 2.363 0.02 . 1 . . . . 47 GLN HG . 15189 1 539 . 1 1 67 67 GLN HG3 H 1 2.363 0.02 . 1 . . . . 47 GLN HG . 15189 1 540 . 1 1 68 68 TRP N N 15 124.356 0.1 . 1 . . . . 48 TRP N . 15189 1 541 . 1 1 68 68 TRP H H 1 8.704 0.02 . 1 . . . . 48 TRP HN . 15189 1 542 . 1 1 68 68 TRP C C 13 176.872 0.4 . 1 . . . . 48 TRP CO . 15189 1 543 . 1 1 68 68 TRP NE1 N 15 129.815 0.1 . 1 . . . . 48 TRP NE1 . 15189 1 544 . 1 1 68 68 TRP HE1 H 1 10.465 0.02 . 1 . . . . 48 TRP HE1 . 15189 1 545 . 1 1 68 68 TRP CA C 13 57.331 0.4 . 1 . . . . 48 TRP CA . 15189 1 546 . 1 1 68 68 TRP HA H 1 4.734 0.02 . 1 . . . . 48 TRP HA . 15189 1 547 . 1 1 68 68 TRP CB C 13 28.823 0.4 . 1 . . . . 48 TRP CB . 15189 1 548 . 1 1 68 68 TRP HB2 H 1 3.103 0.02 . 2 . . . . 48 TRP HB1 . 15189 1 549 . 1 1 68 68 TRP HB3 H 1 3.597 0.02 . 2 . . . . 48 TRP HB2 . 15189 1 550 . 1 1 68 68 TRP CD1 C 13 126.443 0.4 . 1 . . . . 48 TRP CD1 . 15189 1 551 . 1 1 68 68 TRP HD1 H 1 7.539 0.02 . 1 . . . . 48 TRP HD1 . 15189 1 552 . 1 1 68 68 TRP CE3 C 13 121.454 0.4 . 1 . . . . 48 TRP CE3 . 15189 1 553 . 1 1 68 68 TRP HE3 H 1 7.667 0.02 . 1 . . . . 48 TRP HE3 . 15189 1 554 . 1 1 68 68 TRP CZ2 C 13 114.925 0.4 . 1 . . . . 48 TRP CZ2 . 15189 1 555 . 1 1 68 68 TRP HZ2 H 1 7.836 0.02 . 1 . . . . 48 TRP HZ2 . 15189 1 556 . 1 1 68 68 TRP CZ3 C 13 124.623 0.4 . 1 . . . . 48 TRP CZ3 . 15189 1 557 . 1 1 68 68 TRP HZ3 H 1 7.278 0.02 . 1 . . . . 48 TRP HZ3 . 15189 1 558 . 1 1 68 68 TRP CH2 C 13 121.413 0.4 . 1 . . . . 48 TRP CH2 . 15189 1 559 . 1 1 68 68 TRP HH2 H 1 7.06 0.02 . 1 . . . . 48 TRP HH2 . 15189 1 560 . 1 1 69 69 GLU N N 15 121.287 0.1 . 1 . . . . 49 GLU N . 15189 1 561 . 1 1 69 69 GLU H H 1 8.585 0.02 . 1 . . . . 49 GLU HN . 15189 1 562 . 1 1 69 69 GLU C C 13 176.048 0.4 . 1 . . . . 49 GLU CO . 15189 1 563 . 1 1 69 69 GLU CA C 13 57.522 0.4 . 1 . . . . 49 GLU CA . 15189 1 564 . 1 1 69 69 GLU HA H 1 4.325 0.02 . 1 . . . . 49 GLU HA . 15189 1 565 . 1 1 69 69 GLU CB C 13 30.091 0.4 . 1 . . . . 49 GLU CB . 15189 1 566 . 1 1 69 69 GLU HB2 H 1 2.008 0.02 . 2 . . . . 49 GLU HB1 . 15189 1 567 . 1 1 69 69 GLU HB3 H 1 2.129 0.02 . 2 . . . . 49 GLU HB2 . 15189 1 568 . 1 1 69 69 GLU CG C 13 36.13 0.4 . 1 . . . . 49 GLU CG . 15189 1 569 . 1 1 69 69 GLU HG2 H 1 2.356 0.02 . 1 . . . . 49 GLU HG . 15189 1 570 . 1 1 69 69 GLU HG3 H 1 2.356 0.02 . 1 . . . . 49 GLU HG . 15189 1 571 . 1 1 70 70 ASP N N 15 117.025 0.1 . 1 . . . . 50 ASP N . 15189 1 572 . 1 1 70 70 ASP H H 1 8.385 0.02 . 1 . . . . 50 ASP HN . 15189 1 573 . 1 1 70 70 ASP CA C 13 50.892 0.4 . 1 . . . . 50 ASP CA . 15189 1 574 . 1 1 70 70 ASP HA H 1 5.17 0.02 . 1 . . . . 50 ASP HA . 15189 1 575 . 1 1 70 70 ASP CB C 13 41.174 0.4 . 1 . . . . 50 ASP CB . 15189 1 576 . 1 1 70 70 ASP HB2 H 1 2.678 0.02 . 2 . . . . 50 ASP HB1 . 15189 1 577 . 1 1 70 70 ASP HB3 H 1 2.883 0.02 . 2 . . . . 50 ASP HB2 . 15189 1 578 . 1 1 71 71 PRO C C 13 176.757 0.4 . 1 . . . . 51 PRO CO . 15189 1 579 . 1 1 71 71 PRO CA C 13 63.914 0.4 . 1 . . . . 51 PRO CA . 15189 1 580 . 1 1 71 71 PRO HA H 1 4.37 0.02 . 1 . . . . 51 PRO HA . 15189 1 581 . 1 1 71 71 PRO CB C 13 31.633 0.4 . 1 . . . . 51 PRO CB . 15189 1 582 . 1 1 71 71 PRO HB2 H 1 1.677 0.02 . 2 . . . . 51 PRO HB1 . 15189 1 583 . 1 1 71 71 PRO HB3 H 1 1.937 0.02 . 2 . . . . 51 PRO HB2 . 15189 1 584 . 1 1 71 71 PRO CG C 13 26.765 0.4 . 1 . . . . 51 PRO CG . 15189 1 585 . 1 1 71 71 PRO HG2 H 1 1.862 0.02 . 2 . . . . 51 PRO HG1 . 15189 1 586 . 1 1 71 71 PRO HG3 H 1 1.952 0.02 . 2 . . . . 51 PRO HG2 . 15189 1 587 . 1 1 71 71 PRO CD C 13 50.723 0.4 . 1 . . . . 51 PRO CD . 15189 1 588 . 1 1 71 71 PRO HD2 H 1 3.784 0.02 . 2 . . . . 51 PRO HD1 . 15189 1 589 . 1 1 71 71 PRO HD3 H 1 3.996 0.02 . 2 . . . . 51 PRO HD2 . 15189 1 590 . 1 1 72 72 SER N N 15 114.645 0.1 . 1 . . . . 52 SER N . 15189 1 591 . 1 1 72 72 SER H H 1 8.024 0.02 . 1 . . . . 52 SER HN . 15189 1 592 . 1 1 72 72 SER C C 13 177.139 0.4 . 1 . . . . 52 SER CO . 15189 1 593 . 1 1 72 72 SER CB C 13 62.045 0.4 . 1 . . . . 52 SER CB . 15189 1 594 . 1 1 72 72 SER HB2 H 1 3.953 0.02 . 1 . . . . 52 SER HB . 15189 1 595 . 1 1 72 72 SER HB3 H 1 3.953 0.02 . 1 . . . . 52 SER HB . 15189 1 596 . 1 1 73 73 GLN N N 15 120.745 0.1 . 1 . . . . 53 GLN N . 15189 1 597 . 1 1 73 73 GLN H H 1 7.808 0.02 . 1 . . . . 53 GLN HN . 15189 1 598 . 1 1 73 73 GLN C C 13 176.231 0.4 . 1 . . . . 53 GLN CO . 15189 1 599 . 1 1 73 73 GLN CA C 13 57.595 0.4 . 1 . . . . 53 GLN CA . 15189 1 600 . 1 1 73 73 GLN HA H 1 4.342 0.02 . 1 . . . . 53 GLN HA . 15189 1 601 . 1 1 73 73 GLN CB C 13 28.702 0.4 . 1 . . . . 53 GLN CB . 15189 1 602 . 1 1 73 73 GLN HB2 H 1 2.014 0.02 . 2 . . . . 53 GLN HB1 . 15189 1 603 . 1 1 73 73 GLN HB3 H 1 2.565 0.02 . 2 . . . . 53 GLN HB2 . 15189 1 604 . 1 1 73 73 GLN CG C 13 33.99 0.4 . 1 . . . . 53 GLN CG . 15189 1 605 . 1 1 73 73 GLN HG2 H 1 2.58 0.02 . 1 . . . . 53 GLN HG . 15189 1 606 . 1 1 73 73 GLN HG3 H 1 2.58 0.02 . 1 . . . . 53 GLN HG . 15189 1 607 . 1 1 74 74 ALA N N 15 118.696 0.1 . 1 . . . . 54 ALA N . 15189 1 608 . 1 1 74 74 ALA H H 1 7.718 0.02 . 1 . . . . 54 ALA HN . 15189 1 609 . 1 1 74 74 ALA C C 13 177.14 0.4 . 1 . . . . 54 ALA CO . 15189 1 610 . 1 1 74 74 ALA CA C 13 50.952 0.4 . 1 . . . . 54 ALA CA . 15189 1 611 . 1 1 74 74 ALA HA H 1 3.67 0.02 . 1 . . . . 54 ALA HA . 15189 1 612 . 1 1 74 74 ALA CB C 13 19.042 0.4 . 1 . . . . 54 ALA CB . 15189 1 613 . 1 1 74 74 ALA HB1 H 1 0.934 0.02 . 1 . . . . 54 ALA HB . 15189 1 614 . 1 1 74 74 ALA HB2 H 1 0.934 0.02 . 1 . . . . 54 ALA HB . 15189 1 615 . 1 1 74 74 ALA HB3 H 1 0.934 0.02 . 1 . . . . 54 ALA HB . 15189 1 616 . 1 1 75 75 SER N N 15 116.806 0.1 . 1 . . . . 55 SER N . 15189 1 617 . 1 1 75 75 SER H H 1 7.635 0.02 . 1 . . . . 55 SER HN . 15189 1 618 . 1 1 75 75 SER C C 13 176.266 0.4 . 1 . . . . 55 SER CO . 15189 1 619 . 1 1 75 75 SER CA C 13 62.948 0.4 . 1 . . . . 55 SER CA . 15189 1 620 . 1 1 75 75 SER HA H 1 3.553 0.02 . 1 . . . . 55 SER HA . 15189 1 621 . 1 1 75 75 SER CB C 13 62.358 0.4 . 1 . . . . 55 SER CB . 15189 1 622 . 1 1 75 75 SER HB2 H 1 3.95 0.02 . 1 . . . . 55 SER HB . 15189 1 623 . 1 1 75 75 SER HB3 H 1 3.95 0.02 . 1 . . . . 55 SER HB . 15189 1 624 . 1 1 76 76 LYS N N 15 119.627 0.1 . 1 . . . . 56 LYS N . 15189 1 625 . 1 1 76 76 LYS H H 1 8.365 0.02 . 1 . . . . 56 LYS HN . 15189 1 626 . 1 1 76 76 LYS C C 13 178.418 0.4 . 1 . . . . 56 LYS CO . 15189 1 627 . 1 1 76 76 LYS CA C 13 58.117 0.4 . 1 . . . . 56 LYS CA . 15189 1 628 . 1 1 76 76 LYS HA H 1 3.969 0.02 . 1 . . . . 56 LYS HA . 15189 1 629 . 1 1 76 76 LYS CB C 13 31.05 0.4 . 1 . . . . 56 LYS CB . 15189 1 630 . 1 1 76 76 LYS CG C 13 25.253 0.4 . 1 . . . . 56 LYS CG . 15189 1 631 . 1 1 76 76 LYS HG2 H 1 1.449 0.02 . 2 . . . . 56 LYS HG1 . 15189 1 632 . 1 1 76 76 LYS HG3 H 1 1.519 0.02 . 2 . . . . 56 LYS HG2 . 15189 1 633 . 1 1 76 76 LYS CD C 13 28.168 0.4 . 1 . . . . 56 LYS CD . 15189 1 634 . 1 1 76 76 LYS CE C 13 42.107 0.4 . 1 . . . . 56 LYS CE . 15189 1 635 . 1 1 76 76 LYS HB2 H 1 1.698 0.02 . 1 . . . . 56 LYS HB . 15189 1 636 . 1 1 76 76 LYS HB3 H 1 1.698 0.02 . 1 . . . . 56 LYS HB . 15189 1 637 . 1 1 76 76 LYS HD2 H 1 1.681 0.02 . 1 . . . . 56 LYS HD . 15189 1 638 . 1 1 76 76 LYS HD3 H 1 1.681 0.02 . 1 . . . . 56 LYS HD . 15189 1 639 . 1 1 76 76 LYS HE2 H 1 2.999 0.02 . 1 . . . . 56 LYS HE . 15189 1 640 . 1 1 76 76 LYS HE3 H 1 2.999 0.02 . 1 . . . . 56 LYS HE . 15189 1 641 . 1 1 77 77 VAL N N 15 118.506 0.1 . 1 . . . . 57 VAL N . 15189 1 642 . 1 1 77 77 VAL H H 1 6.768 0.02 . 1 . . . . 57 VAL HN . 15189 1 643 . 1 1 77 77 VAL C C 13 177.575 0.4 . 1 . . . . 57 VAL CO . 15189 1 644 . 1 1 77 77 VAL CA C 13 65.844 0.4 . 1 . . . . 57 VAL CA . 15189 1 645 . 1 1 77 77 VAL HA H 1 3.441 0.02 . 1 . . . . 57 VAL HA . 15189 1 646 . 1 1 77 77 VAL CB C 13 30.816 0.4 . 1 . . . . 57 VAL CB . 15189 1 647 . 1 1 77 77 VAL HB H 1 1.67 0.02 . 1 . . . . 57 VAL HB . 15189 1 648 . 1 1 77 77 VAL CG1 C 13 21.728 0.4 . 2 . . . . 57 VAL CG1 . 15189 1 649 . 1 1 77 77 VAL HG11 H 1 0.31 0.02 . 2 . . . . 57 VAL HG1 . 15189 1 650 . 1 1 77 77 VAL HG12 H 1 0.31 0.02 . 2 . . . . 57 VAL HG1 . 15189 1 651 . 1 1 77 77 VAL HG13 H 1 0.31 0.02 . 2 . . . . 57 VAL HG1 . 15189 1 652 . 1 1 77 77 VAL CG2 C 13 21.37 0.4 . 2 . . . . 57 VAL CG2 . 15189 1 653 . 1 1 77 77 VAL HG21 H 1 0.562 0.02 . 2 . . . . 57 VAL HG2 . 15189 1 654 . 1 1 77 77 VAL HG22 H 1 0.562 0.02 . 2 . . . . 57 VAL HG2 . 15189 1 655 . 1 1 77 77 VAL HG23 H 1 0.562 0.02 . 2 . . . . 57 VAL HG2 . 15189 1 656 . 1 1 78 78 CYS N N 15 114.984 0.1 . 1 . . . . 58 CYS N . 15189 1 657 . 1 1 78 78 CYS H H 1 7.1 0.02 . 1 . . . . 58 CYS HN . 15189 1 658 . 1 1 78 78 CYS C C 13 176.831 0.4 . 1 . . . . 58 CYS CO . 15189 1 659 . 1 1 78 78 CYS CA C 13 57.795 0.4 . 1 . . . . 58 CYS CA . 15189 1 660 . 1 1 78 78 CYS HA H 1 4.069 0.02 . 1 . . . . 58 CYS HA . 15189 1 661 . 1 1 78 78 CYS CB C 13 39.441 0.4 . 1 . . . . 58 CYS CB . 15189 1 662 . 1 1 78 78 CYS HB2 H 1 2.605 0.02 . 2 . . . . 58 CYS HB1 . 15189 1 663 . 1 1 78 78 CYS HB3 H 1 3.676 0.02 . 2 . . . . 58 CYS HB2 . 15189 1 664 . 1 1 79 79 GLN N N 15 118.29 0.1 . 1 . . . . 59 GLN N . 15189 1 665 . 1 1 79 79 GLN H H 1 7.822 0.02 . 1 . . . . 59 GLN HN . 15189 1 666 . 1 1 79 79 GLN C C 13 180.468 0.4 . 1 . . . . 59 GLN CO . 15189 1 667 . 1 1 79 79 GLN CA C 13 59.29 0.4 . 1 . . . . 59 GLN CA . 15189 1 668 . 1 1 79 79 GLN HA H 1 4.057 0.02 . 1 . . . . 59 GLN HA . 15189 1 669 . 1 1 79 79 GLN CB C 13 28.65 0.4 . 1 . . . . 59 GLN CB . 15189 1 670 . 1 1 79 79 GLN CG C 13 33.838 0.4 . 1 . . . . 59 GLN CG . 15189 1 671 . 1 1 79 79 GLN HG2 H 1 2.307 0.02 . 2 . . . . 59 GLN HG1 . 15189 1 672 . 1 1 79 79 GLN HG3 H 1 2.488 0.02 . 2 . . . . 59 GLN HG2 . 15189 1 673 . 1 1 79 79 GLN HB2 H 1 2.076 0.02 . 1 . . . . 59 GLN HB . 15189 1 674 . 1 1 79 79 GLN HB3 H 1 2.076 0.02 . 1 . . . . 59 GLN HB . 15189 1 675 . 1 1 80 80 ARG N N 15 121.716 0.1 . 1 . . . . 60 ARG N . 15189 1 676 . 1 1 80 80 ARG H H 1 8.018 0.02 . 1 . . . . 60 ARG HN . 15189 1 677 . 1 1 80 80 ARG C C 13 177.797 0.4 . 1 . . . . 60 ARG CO . 15189 1 678 . 1 1 80 80 ARG CA C 13 58.22 0.4 . 1 . . . . 60 ARG CA . 15189 1 679 . 1 1 80 80 ARG HA H 1 4.146 0.02 . 1 . . . . 60 ARG HA . 15189 1 680 . 1 1 80 80 ARG CB C 13 29.167 0.4 . 1 . . . . 60 ARG CB . 15189 1 681 . 1 1 80 80 ARG CG C 13 27.552 0.4 . 1 . . . . 60 ARG CG . 15189 1 682 . 1 1 80 80 ARG CD C 13 42.992 0.4 . 1 . . . . 60 ARG CD . 15189 1 683 . 1 1 80 80 ARG HB2 H 1 2.098 0.02 . 1 . . . . 60 ARG HB . 15189 1 684 . 1 1 80 80 ARG HB3 H 1 2.098 0.02 . 1 . . . . 60 ARG HB . 15189 1 685 . 1 1 80 80 ARG HG2 H 1 1.883 0.02 . 1 . . . . 60 ARG HG . 15189 1 686 . 1 1 80 80 ARG HG3 H 1 1.883 0.02 . 1 . . . . 60 ARG HG . 15189 1 687 . 1 1 80 80 ARG HD2 H 1 3.382 0.02 . 1 . . . . 60 ARG HD . 15189 1 688 . 1 1 80 80 ARG HD3 H 1 3.382 0.02 . 1 . . . . 60 ARG HD . 15189 1 689 . 1 1 81 81 LEU N N 15 118.226 0.1 . 1 . . . . 61 LEU N . 15189 1 690 . 1 1 81 81 LEU H H 1 7.243 0.02 . 1 . . . . 61 LEU HN . 15189 1 691 . 1 1 81 81 LEU C C 13 175.758 0.4 . 1 . . . . 61 LEU CO . 15189 1 692 . 1 1 81 81 LEU CA C 13 54.819 0.4 . 1 . . . . 61 LEU CA . 15189 1 693 . 1 1 81 81 LEU HA H 1 4.229 0.02 . 1 . . . . 61 LEU HA . 15189 1 694 . 1 1 81 81 LEU CB C 13 42.55 0.4 . 1 . . . . 61 LEU CB . 15189 1 695 . 1 1 81 81 LEU CG C 13 26.427 0.4 . 1 . . . . 61 LEU CG . 15189 1 696 . 1 1 81 81 LEU HG H 1 1.76 0.02 . 1 . . . . 61 LEU HG . 15189 1 697 . 1 1 81 81 LEU CD1 C 13 26.32 0.4 . 2 . . . . 61 LEU CD1 . 15189 1 698 . 1 1 81 81 LEU HD11 H 1 0.692 0.02 . 2 . . . . 61 LEU HD1 . 15189 1 699 . 1 1 81 81 LEU HD12 H 1 0.692 0.02 . 2 . . . . 61 LEU HD1 . 15189 1 700 . 1 1 81 81 LEU HD13 H 1 0.692 0.02 . 2 . . . . 61 LEU HD1 . 15189 1 701 . 1 1 81 81 LEU CD2 C 13 22.685 0.4 . 2 . . . . 61 LEU CD2 . 15189 1 702 . 1 1 81 81 LEU HD21 H 1 0.806 0.02 . 2 . . . . 61 LEU HD2 . 15189 1 703 . 1 1 81 81 LEU HD22 H 1 0.806 0.02 . 2 . . . . 61 LEU HD2 . 15189 1 704 . 1 1 81 81 LEU HD23 H 1 0.806 0.02 . 2 . . . . 61 LEU HD2 . 15189 1 705 . 1 1 81 81 LEU HB2 H 1 1.702 0.02 . 1 . . . . 61 LEU HB . 15189 1 706 . 1 1 81 81 LEU HB3 H 1 1.702 0.02 . 1 . . . . 61 LEU HB . 15189 1 707 . 1 1 82 82 ASN N N 15 112.971 0.1 . 1 . . . . 62 ASN N . 15189 1 708 . 1 1 82 82 ASN H H 1 8.027 0.02 . 1 . . . . 62 ASN HN . 15189 1 709 . 1 1 82 82 ASN C C 13 174.824 0.4 . 1 . . . . 62 ASN CO . 15189 1 710 . 1 1 82 82 ASN CA C 13 54.407 0.4 . 1 . . . . 62 ASN CA . 15189 1 711 . 1 1 82 82 ASN HA H 1 4.412 0.02 . 1 . . . . 62 ASN HA . 15189 1 712 . 1 1 82 82 ASN CB C 13 36.793 0.4 . 1 . . . . 62 ASN CB . 15189 1 713 . 1 1 82 82 ASN HB2 H 1 2.949 0.02 . 2 . . . . 62 ASN HB1 . 15189 1 714 . 1 1 82 82 ASN HB3 H 1 3.108 0.02 . 2 . . . . 62 ASN HB2 . 15189 1 715 . 1 1 83 83 CYS N N 15 116.476 0.1 . 1 . . . . 63 CYS N . 15189 1 716 . 1 1 83 83 CYS H H 1 7.728 0.02 . 1 . . . . 63 CYS HN . 15189 1 717 . 1 1 83 83 CYS C C 13 173.827 0.4 . 1 . . . . 63 CYS CO . 15189 1 718 . 1 1 83 83 CYS CA C 13 54.975 0.4 . 1 . . . . 63 CYS CA . 15189 1 719 . 1 1 83 83 CYS HA H 1 4.867 0.02 . 1 . . . . 63 CYS HA . 15189 1 720 . 1 1 83 83 CYS CB C 13 44.929 0.4 . 1 . . . . 63 CYS CB . 15189 1 721 . 1 1 83 83 CYS HB2 H 1 2.956 0.02 . 2 . . . . 63 CYS HB1 . 15189 1 722 . 1 1 83 83 CYS HB3 H 1 3.225 0.02 . 2 . . . . 63 CYS HB2 . 15189 1 723 . 1 1 84 84 GLY N N 15 109.547 0.1 . 1 . . . . 64 GLY N . 15189 1 724 . 1 1 84 84 GLY H H 1 8.328 0.02 . 1 . . . . 64 GLY HN . 15189 1 725 . 1 1 84 84 GLY C C 13 171.505 0.4 . 1 . . . . 64 GLY CO . 15189 1 726 . 1 1 84 84 GLY CA C 13 44.235 0.4 . 1 . . . . 64 GLY CA . 15189 1 727 . 1 1 84 84 GLY HA2 H 1 3.385 0.02 . 1 . . . . 64 GLY HA1 . 15189 1 728 . 1 1 84 84 GLY HA3 H 1 4.157 0.02 . 1 . . . . 64 GLY HA2 . 15189 1 729 . 1 1 85 85 ASP N N 15 116.159 0.1 . 1 . . . . 65 ASP N . 15189 1 730 . 1 1 85 85 ASP H H 1 7.653 0.02 . 1 . . . . 65 ASP HN . 15189 1 731 . 1 1 85 85 ASP CA C 13 53.511 0.4 . 1 . . . . 65 ASP CA . 15189 1 732 . 1 1 85 85 ASP HA H 1 4.546 0.02 . 1 . . . . 65 ASP HA . 15189 1 733 . 1 1 85 85 ASP CB C 13 40.151 0.4 . 1 . . . . 65 ASP CB . 15189 1 734 . 1 1 85 85 ASP HB2 H 1 2.294 0.02 . 2 . . . . 65 ASP HB1 . 15189 1 735 . 1 1 85 85 ASP HB3 H 1 2.524 0.02 . 2 . . . . 65 ASP HB2 . 15189 1 736 . 1 1 86 86 PRO C C 13 176.046 0.4 . 1 . . . . 66 PRO CO . 15189 1 737 . 1 1 86 86 PRO CA C 13 63.7 0.4 . 1 . . . . 66 PRO CA . 15189 1 738 . 1 1 86 86 PRO HA H 1 4.554 0.02 . 1 . . . . 66 PRO HA . 15189 1 739 . 1 1 86 86 PRO CB C 13 32.89 0.4 . 1 . . . . 66 PRO CB . 15189 1 740 . 1 1 86 86 PRO HB2 H 1 1.544 0.02 . 2 . . . . 66 PRO HB1 . 15189 1 741 . 1 1 86 86 PRO HB3 H 1 1.874 0.02 . 2 . . . . 66 PRO HB2 . 15189 1 742 . 1 1 86 86 PRO CG C 13 28.425 0.4 . 1 . . . . 66 PRO CG . 15189 1 743 . 1 1 86 86 PRO HG2 H 1 1.609 0.02 . 2 . . . . 66 PRO HG1 . 15189 1 744 . 1 1 86 86 PRO HG3 H 1 1.881 0.02 . 2 . . . . 66 PRO HG2 . 15189 1 745 . 1 1 86 86 PRO CD C 13 50.1 0.4 . 1 . . . . 66 PRO CD . 15189 1 746 . 1 1 86 86 PRO HD2 H 1 3.582 0.02 . 2 . . . . 66 PRO HD1 . 15189 1 747 . 1 1 86 86 PRO HD3 H 1 3.67 0.02 . 2 . . . . 66 PRO HD2 . 15189 1 748 . 1 1 87 87 LEU N N 15 122.564 0.1 . 1 . . . . 67 LEU N . 15189 1 749 . 1 1 87 87 LEU H H 1 9.215 0.02 . 1 . . . . 67 LEU HN . 15189 1 750 . 1 1 87 87 LEU C C 13 177.248 0.4 . 1 . . . . 67 LEU CO . 15189 1 751 . 1 1 87 87 LEU CA C 13 55.179 0.4 . 1 . . . . 67 LEU CA . 15189 1 752 . 1 1 87 87 LEU HA H 1 4.49 0.02 . 1 . . . . 67 LEU HA . 15189 1 753 . 1 1 87 87 LEU CB C 13 44.811 0.4 . 1 . . . . 67 LEU CB . 15189 1 754 . 1 1 87 87 LEU HB2 H 1 1.32 0.02 . 2 . . . . 67 LEU HB1 . 15189 1 755 . 1 1 87 87 LEU HB3 H 1 1.418 0.02 . 2 . . . . 67 LEU HB2 . 15189 1 756 . 1 1 87 87 LEU CG C 13 26.834 0.4 . 1 . . . . 67 LEU CG . 15189 1 757 . 1 1 87 87 LEU HG H 1 1.49 0.02 . 1 . . . . 67 LEU HG . 15189 1 758 . 1 1 87 87 LEU CD1 C 13 24.523 0.4 . 2 . . . . 67 LEU CD1 . 15189 1 759 . 1 1 87 87 LEU HD11 H 1 0.786 0.02 . 2 . . . . 67 LEU HD1 . 15189 1 760 . 1 1 87 87 LEU HD12 H 1 0.786 0.02 . 2 . . . . 67 LEU HD1 . 15189 1 761 . 1 1 87 87 LEU HD13 H 1 0.786 0.02 . 2 . . . . 67 LEU HD1 . 15189 1 762 . 1 1 87 87 LEU CD2 C 13 23.997 0.4 . 2 . . . . 67 LEU CD2 . 15189 1 763 . 1 1 87 87 LEU HD21 H 1 0.774 0.02 . 2 . . . . 67 LEU HD2 . 15189 1 764 . 1 1 87 87 LEU HD22 H 1 0.774 0.02 . 2 . . . . 67 LEU HD2 . 15189 1 765 . 1 1 87 87 LEU HD23 H 1 0.774 0.02 . 2 . . . . 67 LEU HD2 . 15189 1 766 . 1 1 88 88 SER N N 15 109.627 0.1 . 1 . . . . 68 SER N . 15189 1 767 . 1 1 88 88 SER H H 1 7.648 0.02 . 1 . . . . 68 SER HN . 15189 1 768 . 1 1 88 88 SER C C 13 171.629 0.4 . 1 . . . . 68 SER CO . 15189 1 769 . 1 1 88 88 SER CA C 13 57.435 0.4 . 1 . . . . 68 SER CA . 15189 1 770 . 1 1 88 88 SER HA H 1 4.64 0.02 . 1 . . . . 68 SER HA . 15189 1 771 . 1 1 88 88 SER CB C 13 65.136 0.4 . 1 . . . . 68 SER CB . 15189 1 772 . 1 1 88 88 SER HB2 H 1 3.634 0.02 . 2 . . . . 68 SER HB1 . 15189 1 773 . 1 1 88 88 SER HB3 H 1 3.699 0.02 . 2 . . . . 68 SER HB2 . 15189 1 774 . 1 1 89 89 LEU N N 15 124.882 0.1 . 1 . . . . 69 LEU N . 15189 1 775 . 1 1 89 89 LEU H H 1 8.613 0.02 . 1 . . . . 69 LEU HN . 15189 1 776 . 1 1 89 89 LEU C C 13 174.463 0.4 . 1 . . . . 69 LEU CO . 15189 1 777 . 1 1 89 89 LEU CA C 13 54.939 0.4 . 1 . . . . 69 LEU CA . 15189 1 778 . 1 1 89 89 LEU HA H 1 5.171 0.02 . 1 . . . . 69 LEU HA . 15189 1 779 . 1 1 89 89 LEU CB C 13 46.183 0.4 . 1 . . . . 69 LEU CB . 15189 1 780 . 1 1 89 89 LEU HB2 H 1 1.111 0.02 . 2 . . . . 69 LEU HB1 . 15189 1 781 . 1 1 89 89 LEU HB3 H 1 1.331 0.02 . 2 . . . . 69 LEU HB2 . 15189 1 782 . 1 1 89 89 LEU CG C 13 27.897 0.4 . 1 . . . . 69 LEU CG . 15189 1 783 . 1 1 89 89 LEU HG H 1 1.33 0.02 . 1 . . . . 69 LEU HG . 15189 1 784 . 1 1 89 89 LEU CD1 C 13 26.387 0.4 . 2 . . . . 69 LEU CD1 . 15189 1 785 . 1 1 89 89 LEU HD11 H 1 0.51 0.02 . 2 . . . . 69 LEU HD1 . 15189 1 786 . 1 1 89 89 LEU HD12 H 1 0.51 0.02 . 2 . . . . 69 LEU HD1 . 15189 1 787 . 1 1 89 89 LEU HD13 H 1 0.51 0.02 . 2 . . . . 69 LEU HD1 . 15189 1 788 . 1 1 89 89 LEU CD2 C 13 24.562 0.4 . 2 . . . . 69 LEU CD2 . 15189 1 789 . 1 1 89 89 LEU HD21 H 1 0.692 0.02 . 2 . . . . 69 LEU HD2 . 15189 1 790 . 1 1 89 89 LEU HD22 H 1 0.692 0.02 . 2 . . . . 69 LEU HD2 . 15189 1 791 . 1 1 89 89 LEU HD23 H 1 0.692 0.02 . 2 . . . . 69 LEU HD2 . 15189 1 792 . 1 1 90 90 GLY N N 15 108.817 0.1 . 1 . . . . 70 GLY N . 15189 1 793 . 1 1 90 90 GLY H H 1 8.084 0.02 . 1 . . . . 70 GLY HN . 15189 1 794 . 1 1 90 90 GLY CA C 13 45.414 0.4 . 1 . . . . 70 GLY CA . 15189 1 795 . 1 1 90 90 GLY HA2 H 1 3.677 0.02 . 1 . . . . 70 GLY HA1 . 15189 1 796 . 1 1 90 90 GLY HA3 H 1 4.299 0.02 . 1 . . . . 70 GLY HA2 . 15189 1 797 . 1 1 91 91 PRO C C 13 176.172 0.4 . 1 . . . . 71 PRO CO . 15189 1 798 . 1 1 91 91 PRO CA C 13 63.311 0.4 . 1 . . . . 71 PRO CA . 15189 1 799 . 1 1 91 91 PRO HA H 1 4.619 0.02 . 1 . . . . 71 PRO HA . 15189 1 800 . 1 1 91 91 PRO CB C 13 31.778 0.4 . 1 . . . . 71 PRO CB . 15189 1 801 . 1 1 91 91 PRO HB2 H 1 1.736 0.02 . 2 . . . . 71 PRO HB1 . 15189 1 802 . 1 1 91 91 PRO HB3 H 1 1.963 0.02 . 2 . . . . 71 PRO HB2 . 15189 1 803 . 1 1 91 91 PRO CG C 13 27.574 0.4 . 1 . . . . 71 PRO CG . 15189 1 804 . 1 1 91 91 PRO HG2 H 1 1.854 0.02 . 2 . . . . 71 PRO HG1 . 15189 1 805 . 1 1 91 91 PRO HG3 H 1 2.018 0.02 . 2 . . . . 71 PRO HG2 . 15189 1 806 . 1 1 91 91 PRO CD C 13 49.102 0.4 . 1 . . . . 71 PRO CD . 15189 1 807 . 1 1 91 91 PRO HD2 H 1 3.276 0.02 . 1 . . . . 71 PRO HD . 15189 1 808 . 1 1 91 91 PRO HD3 H 1 3.276 0.02 . 1 . . . . 71 PRO HD . 15189 1 809 . 1 1 92 92 PHE N N 15 125.498 0.1 . 1 . . . . 72 PHE N . 15189 1 810 . 1 1 92 92 PHE H H 1 9.101 0.02 . 1 . . . . 72 PHE HN . 15189 1 811 . 1 1 92 92 PHE C C 13 175.437 0.4 . 1 . . . . 72 PHE CO . 15189 1 812 . 1 1 92 92 PHE CA C 13 57.182 0.4 . 1 . . . . 72 PHE CA . 15189 1 813 . 1 1 92 92 PHE HA H 1 4.758 0.02 . 1 . . . . 72 PHE HA . 15189 1 814 . 1 1 92 92 PHE CB C 13 39.706 0.4 . 1 . . . . 72 PHE CB . 15189 1 815 . 1 1 92 92 PHE HB2 H 1 2.799 0.02 . 2 . . . . 72 PHE HB1 . 15189 1 816 . 1 1 92 92 PHE HB3 H 1 3.158 0.02 . 2 . . . . 72 PHE HB2 . 15189 1 817 . 1 1 92 92 PHE HD1 H 1 7.2 0.02 . 1 . . . . 72 PHE HD . 15189 1 818 . 1 1 92 92 PHE HD2 H 1 7.2 0.02 . 1 . . . . 72 PHE HD . 15189 1 819 . 1 1 92 92 PHE CD1 C 13 131.67 0.4 . 1 . . . . 72 PHE CD . 15189 1 820 . 1 1 92 92 PHE CD2 C 13 131.67 0.4 . 1 . . . . 72 PHE CD . 15189 1 821 . 1 1 93 93 LEU N N 15 123.63 0.1 . 1 . . . . 73 LEU N . 15189 1 822 . 1 1 93 93 LEU H H 1 7.506 0.02 . 1 . . . . 73 LEU HN . 15189 1 823 . 1 1 93 93 LEU C C 13 176.862 0.4 . 1 . . . . 73 LEU CO . 15189 1 824 . 1 1 93 93 LEU CA C 13 55.192 0.4 . 1 . . . . 73 LEU CA . 15189 1 825 . 1 1 93 93 LEU HA H 1 4.176 0.02 . 1 . . . . 73 LEU HA . 15189 1 826 . 1 1 93 93 LEU CB C 13 42.817 0.4 . 1 . . . . 73 LEU CB . 15189 1 827 . 1 1 93 93 LEU CG C 13 26.533 0.4 . 1 . . . . 73 LEU CG . 15189 1 828 . 1 1 93 93 LEU HG H 1 1.008 0.02 . 1 . . . . 73 LEU HG . 15189 1 829 . 1 1 93 93 LEU CD1 C 13 22.859 0.4 . 2 . . . . 73 LEU CD1 . 15189 1 830 . 1 1 93 93 LEU HD11 H 1 0.531 0.02 . 2 . . . . 73 LEU HD1 . 15189 1 831 . 1 1 93 93 LEU HD12 H 1 0.531 0.02 . 2 . . . . 73 LEU HD1 . 15189 1 832 . 1 1 93 93 LEU HD13 H 1 0.531 0.02 . 2 . . . . 73 LEU HD1 . 15189 1 833 . 1 1 93 93 LEU CD2 C 13 25.041 0.4 . 2 . . . . 73 LEU CD2 . 15189 1 834 . 1 1 93 93 LEU HD21 H 1 0.681 0.02 . 2 . . . . 73 LEU HD2 . 15189 1 835 . 1 1 93 93 LEU HD22 H 1 0.681 0.02 . 2 . . . . 73 LEU HD2 . 15189 1 836 . 1 1 93 93 LEU HD23 H 1 0.681 0.02 . 2 . . . . 73 LEU HD2 . 15189 1 837 . 1 1 93 93 LEU HB2 H 1 1.371 0.02 . 1 . . . . 73 LEU HB . 15189 1 838 . 1 1 93 93 LEU HB3 H 1 1.371 0.02 . 1 . . . . 73 LEU HB . 15189 1 839 . 1 1 94 94 LYS N N 15 120.068 0.1 . 1 . . . . 74 LYS N . 15189 1 840 . 1 1 94 94 LYS H H 1 7.42 0.02 . 1 . . . . 74 LYS HN . 15189 1 841 . 1 1 94 94 LYS C C 13 175.853 0.4 . 1 . . . . 74 LYS CO . 15189 1 842 . 1 1 94 94 LYS CA C 13 56.375 0.4 . 1 . . . . 74 LYS CA . 15189 1 843 . 1 1 94 94 LYS HA H 1 4.099 0.02 . 1 . . . . 74 LYS HA . 15189 1 844 . 1 1 94 94 LYS CB C 13 32.999 0.4 . 1 . . . . 74 LYS CB . 15189 1 845 . 1 1 94 94 LYS HB2 H 1 1.397 0.02 . 2 . . . . 74 LYS HB1 . 15189 1 846 . 1 1 94 94 LYS HB3 H 1 1.576 0.02 . 2 . . . . 74 LYS HB2 . 15189 1 847 . 1 1 94 94 LYS CG C 13 25.033 0.4 . 1 . . . . 74 LYS CG . 15189 1 848 . 1 1 94 94 LYS CD C 13 29.003 0.4 . 1 . . . . 74 LYS CD . 15189 1 849 . 1 1 94 94 LYS CE C 13 41.926 0.4 . 1 . . . . 74 LYS CE . 15189 1 850 . 1 1 94 94 LYS HG2 H 1 1.058 0.02 . 1 . . . . 74 LYS HG . 15189 1 851 . 1 1 94 94 LYS HG3 H 1 1.058 0.02 . 1 . . . . 74 LYS HG . 15189 1 852 . 1 1 94 94 LYS HD2 H 1 1.527 0.02 . 1 . . . . 74 LYS HD . 15189 1 853 . 1 1 94 94 LYS HD3 H 1 1.527 0.02 . 1 . . . . 74 LYS HD . 15189 1 854 . 1 1 94 94 LYS HE2 H 1 2.841 0.02 . 1 . . . . 74 LYS HE . 15189 1 855 . 1 1 94 94 LYS HE3 H 1 2.841 0.02 . 1 . . . . 74 LYS HE . 15189 1 856 . 1 1 95 95 THR N N 15 114.774 0.1 . 1 . . . . 75 THR N . 15189 1 857 . 1 1 95 95 THR H H 1 7.713 0.02 . 1 . . . . 75 THR HN . 15189 1 858 . 1 1 95 95 THR C C 13 173.622 0.4 . 1 . . . . 75 THR CO . 15189 1 859 . 1 1 95 95 THR CA C 13 61.405 0.4 . 1 . . . . 75 THR CA . 15189 1 860 . 1 1 95 95 THR HA H 1 4.308 0.02 . 1 . . . . 75 THR HA . 15189 1 861 . 1 1 95 95 THR CB C 13 70.075 0.4 . 1 . . . . 75 THR CB . 15189 1 862 . 1 1 95 95 THR HB H 1 4.074 0.02 . 1 . . . . 75 THR HB . 15189 1 863 . 1 1 95 95 THR CG2 C 13 21.549 0.4 . 1 . . . . 75 THR CG2 . 15189 1 864 . 1 1 95 95 THR HG21 H 1 1.136 0.02 . 1 . . . . 75 THR HG2 . 15189 1 865 . 1 1 95 95 THR HG22 H 1 1.136 0.02 . 1 . . . . 75 THR HG2 . 15189 1 866 . 1 1 95 95 THR HG23 H 1 1.136 0.02 . 1 . . . . 75 THR HG2 . 15189 1 867 . 1 1 96 96 TYR N N 15 123.503 0.1 . 1 . . . . 76 TYR N . 15189 1 868 . 1 1 96 96 TYR H H 1 8.265 0.02 . 1 . . . . 76 TYR HN . 15189 1 869 . 1 1 96 96 TYR C C 13 175.314 0.4 . 1 . . . . 76 TYR CO . 15189 1 870 . 1 1 96 96 TYR CA C 13 57.766 0.4 . 1 . . . . 76 TYR CA . 15189 1 871 . 1 1 96 96 TYR HA H 1 4.692 0.02 . 1 . . . . 76 TYR HA . 15189 1 872 . 1 1 96 96 TYR CB C 13 39.281 0.4 . 1 . . . . 76 TYR CB . 15189 1 873 . 1 1 96 96 TYR HB2 H 1 2.903 0.02 . 2 . . . . 76 TYR HB1 . 15189 1 874 . 1 1 96 96 TYR HB3 H 1 3.049 0.02 . 2 . . . . 76 TYR HB2 . 15189 1 875 . 1 1 96 96 TYR HD1 H 1 7.043 0.02 . 1 . . . . 76 TYR HD . 15189 1 876 . 1 1 96 96 TYR HD2 H 1 7.043 0.02 . 1 . . . . 76 TYR HD . 15189 1 877 . 1 1 96 96 TYR CD1 C 13 133.375 0.4 . 1 . . . . 76 TYR CD . 15189 1 878 . 1 1 96 96 TYR CD2 C 13 133.375 0.4 . 1 . . . . 76 TYR CD . 15189 1 879 . 1 1 96 96 TYR CE1 C 13 118.141 0.4 . 1 . . . . 76 TYR CE . 15189 1 880 . 1 1 96 96 TYR CE2 C 13 118.141 0.4 . 1 . . . . 76 TYR CE . 15189 1 881 . 1 1 96 96 TYR HE1 H 1 6.715 0.02 . 1 . . . . 76 TYR HE . 15189 1 882 . 1 1 96 96 TYR HE2 H 1 6.715 0.02 . 1 . . . . 76 TYR HE . 15189 1 883 . 1 1 97 97 THR N N 15 116.627 0.1 . 1 . . . . 77 THR N . 15189 1 884 . 1 1 97 97 THR H H 1 7.913 0.02 . 1 . . . . 77 THR HN . 15189 1 885 . 1 1 97 97 THR CA C 13 59.112 0.4 . 1 . . . . 77 THR CA . 15189 1 886 . 1 1 97 97 THR HA H 1 4.564 0.02 . 1 . . . . 77 THR HA . 15189 1 887 . 1 1 97 97 THR CB C 13 69.835 0.4 . 1 . . . . 77 THR CB . 15189 1 888 . 1 1 97 97 THR HB H 1 4.118 0.02 . 1 . . . . 77 THR HB . 15189 1 889 . 1 1 97 97 THR CG2 C 13 21.545 0.4 . 1 . . . . 77 THR CG2 . 15189 1 890 . 1 1 97 97 THR HG21 H 1 1.13 0.02 . 1 . . . . 77 THR HG2 . 15189 1 891 . 1 1 97 97 THR HG22 H 1 1.13 0.02 . 1 . . . . 77 THR HG2 . 15189 1 892 . 1 1 97 97 THR HG23 H 1 1.13 0.02 . 1 . . . . 77 THR HG2 . 15189 1 893 . 1 1 98 98 PRO C C 13 176.986 0.4 . 1 . . . . 78 PRO CO . 15189 1 894 . 1 1 98 98 PRO CA C 13 63.656 0.4 . 1 . . . . 78 PRO CA . 15189 1 895 . 1 1 98 98 PRO HA H 1 4.408 0.02 . 1 . . . . 78 PRO HA . 15189 1 896 . 1 1 98 98 PRO HB2 H 1 1.965 0.02 . 2 . . . . 78 PRO HB1 . 15189 1 897 . 1 1 98 98 PRO HB3 H 1 2.226 0.02 . 2 . . . . 78 PRO HB2 . 15189 1 898 . 1 1 98 98 PRO CG C 13 27.363 0.4 . 1 . . . . 78 PRO CG . 15189 1 899 . 1 1 98 98 PRO CD C 13 51.047 0.4 . 1 . . . . 78 PRO CD . 15189 1 900 . 1 1 98 98 PRO HG2 H 1 1.963 0.02 . 1 . . . . 78 PRO HG . 15189 1 901 . 1 1 98 98 PRO HG3 H 1 1.963 0.02 . 1 . . . . 78 PRO HG . 15189 1 902 . 1 1 98 98 PRO HD2 H 1 3.63 0.02 . 1 . . . . 78 PRO HD . 15189 1 903 . 1 1 98 98 PRO HD3 H 1 3.63 0.02 . 1 . . . . 78 PRO HD . 15189 1 904 . 1 1 99 99 GLN N N 15 119.804 0.1 . 1 . . . . 79 GLN N . 15189 1 905 . 1 1 99 99 GLN H H 1 8.251 0.02 . 1 . . . . 79 GLN HN . 15189 1 906 . 1 1 99 99 GLN CA C 13 56.11 0.4 . 1 . . . . 79 GLN CA . 15189 1 907 . 1 1 99 99 GLN HA H 1 4.335 0.02 . 1 . . . . 79 GLN HA . 15189 1 908 . 1 1 99 99 GLN HB2 H 1 2.057 0.02 . 1 . . . . 79 GLN HB . 15189 1 909 . 1 1 99 99 GLN HB3 H 1 2.057 0.02 . 1 . . . . 79 GLN HB . 15189 1 910 . 1 1 99 99 GLN HG2 H 1 2.362 0.02 . 1 . . . . 79 GLN HG . 15189 1 911 . 1 1 99 99 GLN HG3 H 1 2.362 0.02 . 1 . . . . 79 GLN HG . 15189 1 912 . 1 1 100 100 SER C C 13 175.325 0.4 . 1 . . . . 80 SER CO . 15189 1 913 . 1 1 100 100 SER CA C 13 58.534 0.4 . 1 . . . . 80 SER CA . 15189 1 914 . 1 1 100 100 SER HA H 1 4.555 0.02 . 1 . . . . 80 SER HA . 15189 1 915 . 1 1 100 100 SER CB C 13 63.278 0.4 . 1 . . . . 80 SER CB . 15189 1 916 . 1 1 100 100 SER HB2 H 1 3.939 0.02 . 2 . . . . 80 SER HB1 . 15189 1 917 . 1 1 100 100 SER HB3 H 1 3.991 0.02 . 2 . . . . 80 SER HB2 . 15189 1 918 . 1 1 101 101 SER N N 15 119.786 0.1 . 1 . . . . 81 SER N . 15189 1 919 . 1 1 101 101 SER H H 1 8.279 0.02 . 1 . . . . 81 SER HN . 15189 1 920 . 1 1 101 101 SER C C 13 174.531 0.4 . 1 . . . . 81 SER CO . 15189 1 921 . 1 1 101 101 SER CA C 13 57.869 0.4 . 1 . . . . 81 SER CA . 15189 1 922 . 1 1 101 101 SER HA H 1 5.096 0.02 . 1 . . . . 81 SER HA . 15189 1 923 . 1 1 101 101 SER CB C 13 65.575 0.4 . 1 . . . . 81 SER CB . 15189 1 924 . 1 1 101 101 SER HB2 H 1 3.756 0.02 . 2 . . . . 81 SER HB1 . 15189 1 925 . 1 1 101 101 SER HB3 H 1 3.834 0.02 . 2 . . . . 81 SER HB2 . 15189 1 926 . 1 1 102 102 ILE N N 15 114.996 0.1 . 1 . . . . 82 ILE N . 15189 1 927 . 1 1 102 102 ILE H H 1 8.426 0.02 . 1 . . . . 82 ILE HN . 15189 1 928 . 1 1 102 102 ILE C C 13 173.178 0.4 . 1 . . . . 82 ILE CO . 15189 1 929 . 1 1 102 102 ILE CA C 13 58.998 0.4 . 1 . . . . 82 ILE CA . 15189 1 930 . 1 1 102 102 ILE HA H 1 5.054 0.02 . 1 . . . . 82 ILE HA . 15189 1 931 . 1 1 102 102 ILE CB C 13 41.858 0.4 . 1 . . . . 82 ILE CB . 15189 1 932 . 1 1 102 102 ILE HB H 1 1.48 0.02 . 1 . . . . 82 ILE HB . 15189 1 933 . 1 1 102 102 ILE CG1 C 13 24.433 0.4 . 1 . . . . 82 ILE CG1 . 15189 1 934 . 1 1 102 102 ILE HG12 H 1 1.262 0.02 . 2 . . . . 82 ILE HG11 . 15189 1 935 . 1 1 102 102 ILE HG13 H 1 1.471 0.02 . 2 . . . . 82 ILE HG12 . 15189 1 936 . 1 1 102 102 ILE CG2 C 13 16.931 0.4 . 1 . . . . 82 ILE CG2 . 15189 1 937 . 1 1 102 102 ILE HG21 H 1 0.295 0.02 . 1 . . . . 82 ILE HG2 . 15189 1 938 . 1 1 102 102 ILE HG22 H 1 0.295 0.02 . 1 . . . . 82 ILE HG2 . 15189 1 939 . 1 1 102 102 ILE HG23 H 1 0.295 0.02 . 1 . . . . 82 ILE HG2 . 15189 1 940 . 1 1 102 102 ILE CD1 C 13 14.26 0.4 . 1 . . . . 82 ILE CD1 . 15189 1 941 . 1 1 102 102 ILE HD11 H 1 0.683 0.02 . 1 . . . . 82 ILE HD1 . 15189 1 942 . 1 1 102 102 ILE HD12 H 1 0.683 0.02 . 1 . . . . 82 ILE HD1 . 15189 1 943 . 1 1 102 102 ILE HD13 H 1 0.683 0.02 . 1 . . . . 82 ILE HD1 . 15189 1 944 . 1 1 103 103 ILE N N 15 121.361 0.1 . 1 . . . . 83 ILE N . 15189 1 945 . 1 1 103 103 ILE H H 1 8.609 0.02 . 1 . . . . 83 ILE HN . 15189 1 946 . 1 1 103 103 ILE C C 13 173.745 0.4 . 1 . . . . 83 ILE CO . 15189 1 947 . 1 1 103 103 ILE CA C 13 59.14 0.4 . 1 . . . . 83 ILE CA . 15189 1 948 . 1 1 103 103 ILE HA H 1 3.936 0.02 . 1 . . . . 83 ILE HA . 15189 1 949 . 1 1 103 103 ILE CB C 13 41.05 0.4 . 1 . . . . 83 ILE CB . 15189 1 950 . 1 1 103 103 ILE HB H 1 1.313 0.02 . 1 . . . . 83 ILE HB . 15189 1 951 . 1 1 103 103 ILE CG1 C 13 28.995 0.4 . 1 . . . . 83 ILE CG1 . 15189 1 952 . 1 1 103 103 ILE HG12 H 1 0.483 0.02 . 2 . . . . 83 ILE HG11 . 15189 1 953 . 1 1 103 103 ILE HG13 H 1 1.164 0.02 . 2 . . . . 83 ILE HG12 . 15189 1 954 . 1 1 103 103 ILE CG2 C 13 16.542 0.4 . 1 . . . . 83 ILE CG2 . 15189 1 955 . 1 1 103 103 ILE HG21 H 1 0.481 0.02 . 1 . . . . 83 ILE HG2 . 15189 1 956 . 1 1 103 103 ILE HG22 H 1 0.481 0.02 . 1 . . . . 83 ILE HG2 . 15189 1 957 . 1 1 103 103 ILE HG23 H 1 0.481 0.02 . 1 . . . . 83 ILE HG2 . 15189 1 958 . 1 1 103 103 ILE CD1 C 13 14.26 0.4 . 1 . . . . 83 ILE CD1 . 15189 1 959 . 1 1 103 103 ILE HD11 H 1 0.689 0.02 . 1 . . . . 83 ILE HD1 . 15189 1 960 . 1 1 103 103 ILE HD12 H 1 0.689 0.02 . 1 . . . . 83 ILE HD1 . 15189 1 961 . 1 1 103 103 ILE HD13 H 1 0.689 0.02 . 1 . . . . 83 ILE HD1 . 15189 1 962 . 1 1 104 104 CYS N N 15 123.057 0.1 . 1 . . . . 84 CYS N . 15189 1 963 . 1 1 104 104 CYS H H 1 7.187 0.02 . 1 . . . . 84 CYS HN . 15189 1 964 . 1 1 104 104 CYS C C 13 172.326 0.4 . 1 . . . . 84 CYS CO . 15189 1 965 . 1 1 104 104 CYS CA C 13 54.862 0.4 . 1 . . . . 84 CYS CA . 15189 1 966 . 1 1 104 104 CYS HA H 1 4.951 0.02 . 1 . . . . 84 CYS HA . 15189 1 967 . 1 1 104 104 CYS CB C 13 46.483 0.4 . 1 . . . . 84 CYS CB . 15189 1 968 . 1 1 104 104 CYS HB2 H 1 1.398 0.02 . 2 . . . . 84 CYS HB1 . 15189 1 969 . 1 1 104 104 CYS HB3 H 1 2.889 0.02 . 2 . . . . 84 CYS HB2 . 15189 1 970 . 1 1 105 105 TYR N N 15 120.754 0.1 . 1 . . . . 85 TYR N . 15189 1 971 . 1 1 105 105 TYR H H 1 8.191 0.02 . 1 . . . . 85 TYR HN . 15189 1 972 . 1 1 105 105 TYR C C 13 175.706 0.4 . 1 . . . . 85 TYR CO . 15189 1 973 . 1 1 105 105 TYR CA C 13 56.971 0.4 . 1 . . . . 85 TYR CA . 15189 1 974 . 1 1 105 105 TYR HA H 1 4.634 0.02 . 1 . . . . 85 TYR HA . 15189 1 975 . 1 1 105 105 TYR CB C 13 41.106 0.4 . 1 . . . . 85 TYR CB . 15189 1 976 . 1 1 105 105 TYR HB2 H 1 2.694 0.02 . 2 . . . . 85 TYR HB1 . 15189 1 977 . 1 1 105 105 TYR HB3 H 1 3.121 0.02 . 2 . . . . 85 TYR HB2 . 15189 1 978 . 1 1 105 105 TYR CD1 C 13 133.377 0.4 . 1 . . . . 85 TYR CD . 15189 1 979 . 1 1 105 105 TYR CD2 C 13 133.377 0.4 . 1 . . . . 85 TYR CD . 15189 1 980 . 1 1 105 105 TYR HD1 H 1 7.035 0.02 . 1 . . . . 85 TYR HD . 15189 1 981 . 1 1 105 105 TYR HD2 H 1 7.035 0.02 . 1 . . . . 85 TYR HD . 15189 1 982 . 1 1 105 105 TYR CE1 C 13 117.877 0.4 . 1 . . . . 85 TYR CE . 15189 1 983 . 1 1 105 105 TYR CE2 C 13 117.877 0.4 . 1 . . . . 85 TYR CE . 15189 1 984 . 1 1 105 105 TYR HE1 H 1 6.582 0.02 . 1 . . . . 85 TYR HE . 15189 1 985 . 1 1 105 105 TYR HE2 H 1 6.582 0.02 . 1 . . . . 85 TYR HE . 15189 1 986 . 1 1 106 106 GLY N N 15 109.919 0.1 . 1 . . . . 86 GLY N . 15189 1 987 . 1 1 106 106 GLY H H 1 8.836 0.02 . 1 . . . . 86 GLY HN . 15189 1 988 . 1 1 106 106 GLY C C 13 173.662 0.4 . 1 . . . . 86 GLY CO . 15189 1 989 . 1 1 106 106 GLY CA C 13 44.411 0.4 . 1 . . . . 86 GLY CA . 15189 1 990 . 1 1 106 106 GLY HA2 H 1 3.664 0.02 . 2 . . . . 86 GLY HA1 . 15189 1 991 . 1 1 106 106 GLY HA3 H 1 4.459 0.02 . 2 . . . . 86 GLY HA2 . 15189 1 992 . 1 1 107 107 GLN N N 15 122.863 0.1 . 1 . . . . 87 GLN N . 15189 1 993 . 1 1 107 107 GLN H H 1 8.295 0.02 . 1 . . . . 87 GLN HN . 15189 1 994 . 1 1 107 107 GLN C C 13 174.844 0.4 . 1 . . . . 87 GLN CO . 15189 1 995 . 1 1 107 107 GLN CA C 13 55.693 0.4 . 1 . . . . 87 GLN CA . 15189 1 996 . 1 1 107 107 GLN HA H 1 3.962 0.02 . 1 . . . . 87 GLN HA . 15189 1 997 . 1 1 107 107 GLN CB C 13 29.366 0.4 . 1 . . . . 87 GLN CB . 15189 1 998 . 1 1 107 107 GLN CG C 13 33.728 0.4 . 1 . . . . 87 GLN CG . 15189 1 999 . 1 1 107 107 GLN HB2 H 1 1.824 0.02 . 1 . . . . 87 GLN HB . 15189 1 1000 . 1 1 107 107 GLN HB3 H 1 1.824 0.02 . 1 . . . . 87 GLN HB . 15189 1 1001 . 1 1 107 107 GLN HG2 H 1 2.297 0.02 . 1 . . . . 87 GLN HG . 15189 1 1002 . 1 1 107 107 GLN HG3 H 1 2.297 0.02 . 1 . . . . 87 GLN HG . 15189 1 1003 . 1 1 108 108 LEU N N 15 123.243 0.1 . 1 . . . . 88 LEU N . 15189 1 1004 . 1 1 108 108 LEU H H 1 7.843 0.02 . 1 . . . . 88 LEU HN . 15189 1 1005 . 1 1 108 108 LEU C C 13 176.728 0.4 . 1 . . . . 88 LEU CO . 15189 1 1006 . 1 1 108 108 LEU CA C 13 56.339 0.4 . 1 . . . . 88 LEU CA . 15189 1 1007 . 1 1 108 108 LEU HA H 1 2.31 0.02 . 1 . . . . 88 LEU HA . 15189 1 1008 . 1 1 108 108 LEU CB C 13 41.829 0.4 . 1 . . . . 88 LEU CB . 15189 1 1009 . 1 1 108 108 LEU HB2 H 1 1.253 0.02 . 2 . . . . 88 LEU HB1 . 15189 1 1010 . 1 1 108 108 LEU HB3 H 1 1.325 0.02 . 2 . . . . 88 LEU HB2 . 15189 1 1011 . 1 1 108 108 LEU CG C 13 26.532 0.4 . 1 . . . . 88 LEU CG . 15189 1 1012 . 1 1 108 108 LEU HG H 1 0.984 0.02 . 1 . . . . 88 LEU HG . 15189 1 1013 . 1 1 108 108 LEU CD1 C 13 24.831 0.4 . 2 . . . . 88 LEU CD1 . 15189 1 1014 . 1 1 108 108 LEU HD11 H 1 0.552 0.02 . 2 . . . . 88 LEU HD1 . 15189 1 1015 . 1 1 108 108 LEU HD12 H 1 0.552 0.02 . 2 . . . . 88 LEU HD1 . 15189 1 1016 . 1 1 108 108 LEU HD13 H 1 0.552 0.02 . 2 . . . . 88 LEU HD1 . 15189 1 1017 . 1 1 108 108 LEU CD2 C 13 25.712 0.4 . 2 . . . . 88 LEU CD2 . 15189 1 1018 . 1 1 108 108 LEU HD21 H 1 0.749 0.02 . 2 . . . . 88 LEU HD2 . 15189 1 1019 . 1 1 108 108 LEU HD22 H 1 0.749 0.02 . 2 . . . . 88 LEU HD2 . 15189 1 1020 . 1 1 108 108 LEU HD23 H 1 0.749 0.02 . 2 . . . . 88 LEU HD2 . 15189 1 1021 . 1 1 109 109 GLY N N 15 108.808 0.1 . 1 . . . . 89 GLY N . 15189 1 1022 . 1 1 109 109 GLY H H 1 2.821 0.02 . 1 . . . . 89 GLY HN . 15189 1 1023 . 1 1 109 109 GLY C C 13 171.39 0.4 . 1 . . . . 89 GLY CO . 15189 1 1024 . 1 1 109 109 GLY CA C 13 42.802 0.4 . 1 . . . . 89 GLY CA . 15189 1 1025 . 1 1 109 109 GLY HA2 H 1 0.452 0.02 . 1 . . . . 89 GLY HA1 . 15189 1 1026 . 1 1 109 109 GLY HA3 H 1 2.208 0.02 . 1 . . . . 89 GLY HA2 . 15189 1 1027 . 1 1 110 110 SER N N 15 112.313 0.1 . 1 . . . . 90 SER N . 15189 1 1028 . 1 1 110 110 SER H H 1 7.329 0.02 . 1 . . . . 90 SER HN . 15189 1 1029 . 1 1 110 110 SER C C 13 176.852 0.4 . 1 . . . . 90 SER CO . 15189 1 1030 . 1 1 110 110 SER CA C 13 57.74 0.4 . 1 . . . . 90 SER CA . 15189 1 1031 . 1 1 110 110 SER HA H 1 4.472 0.02 . 1 . . . . 90 SER HA . 15189 1 1032 . 1 1 110 110 SER CB C 13 64.198 0.4 . 1 . . . . 90 SER CB . 15189 1 1033 . 1 1 110 110 SER HB2 H 1 3.823 0.02 . 2 . . . . 90 SER HB1 . 15189 1 1034 . 1 1 110 110 SER HB3 H 1 4.004 0.02 . 2 . . . . 90 SER HB2 . 15189 1 1035 . 1 1 111 111 PHE N N 15 126.408 0.1 . 1 . . . . 91 PHE N . 15189 1 1036 . 1 1 111 111 PHE H H 1 9.12 0.02 . 1 . . . . 91 PHE HN . 15189 1 1037 . 1 1 111 111 PHE C C 13 173.828 0.4 . 1 . . . . 91 PHE CO . 15189 1 1038 . 1 1 111 111 PHE CA C 13 58.017 0.4 . 1 . . . . 91 PHE CA . 15189 1 1039 . 1 1 111 111 PHE HA H 1 4.898 0.02 . 1 . . . . 91 PHE HA . 15189 1 1040 . 1 1 111 111 PHE CB C 13 39.012 0.4 . 1 . . . . 91 PHE CB . 15189 1 1041 . 1 1 111 111 PHE HB2 H 1 2.415 0.02 . 2 . . . . 91 PHE HB1 . 15189 1 1042 . 1 1 111 111 PHE HB3 H 1 3.703 0.02 . 2 . . . . 91 PHE HB2 . 15189 1 1043 . 1 1 111 111 PHE CZ C 13 127.735 0.4 . 1 . . . . 91 PHE CZ . 15189 1 1044 . 1 1 111 111 PHE HZ H 1 7.316 0.02 . 1 . . . . 91 PHE HZ . 15189 1 1045 . 1 1 111 111 PHE CD1 C 13 133.596 0.4 . 1 . . . . 91 PHE CD . 15189 1 1046 . 1 1 111 111 PHE CD2 C 13 133.596 0.4 . 1 . . . . 91 PHE CD . 15189 1 1047 . 1 1 111 111 PHE HD1 H 1 7.197 0.02 . 1 . . . . 91 PHE HD . 15189 1 1048 . 1 1 111 111 PHE HD2 H 1 7.197 0.02 . 1 . . . . 91 PHE HD . 15189 1 1049 . 1 1 111 111 PHE CE1 C 13 131.504 0.4 . 1 . . . . 91 PHE CE . 15189 1 1050 . 1 1 111 111 PHE CE2 C 13 131.504 0.4 . 1 . . . . 91 PHE CE . 15189 1 1051 . 1 1 111 111 PHE HE1 H 1 7.045 0.02 . 1 . . . . 91 PHE HE . 15189 1 1052 . 1 1 111 111 PHE HE2 H 1 7.045 0.02 . 1 . . . . 91 PHE HE . 15189 1 1053 . 1 1 112 112 SER N N 15 113.32 0.1 . 1 . . . . 92 SER N . 15189 1 1054 . 1 1 112 112 SER H H 1 7.687 0.02 . 1 . . . . 92 SER HN . 15189 1 1055 . 1 1 112 112 SER C C 13 174.333 0.4 . 1 . . . . 92 SER CO . 15189 1 1056 . 1 1 112 112 SER CA C 13 59.884 0.4 . 1 . . . . 92 SER CA . 15189 1 1057 . 1 1 112 112 SER HA H 1 4.422 0.02 . 1 . . . . 92 SER HA . 15189 1 1058 . 1 1 112 112 SER CB C 13 64.121 0.4 . 1 . . . . 92 SER CB . 15189 1 1059 . 1 1 112 112 SER HB2 H 1 3.94 0.02 . 1 . . . . 92 SER HB . 15189 1 1060 . 1 1 112 112 SER HB3 H 1 3.94 0.02 . 1 . . . . 92 SER HB . 15189 1 1061 . 1 1 113 113 ASN N N 15 123.006 0.1 . 1 . . . . 93 ASN N . 15189 1 1062 . 1 1 113 113 ASN H H 1 9.119 0.02 . 1 . . . . 93 ASN HN . 15189 1 1063 . 1 1 113 113 ASN C C 13 173.199 0.4 . 1 . . . . 93 ASN CO . 15189 1 1064 . 1 1 113 113 ASN CA C 13 51.883 0.4 . 1 . . . . 93 ASN CA . 15189 1 1065 . 1 1 113 113 ASN HA H 1 5.031 0.02 . 1 . . . . 93 ASN HA . 15189 1 1066 . 1 1 113 113 ASN CB C 13 38.677 0.4 . 1 . . . . 93 ASN CB . 15189 1 1067 . 1 1 113 113 ASN HB2 H 1 2.558 0.02 . 2 . . . . 93 ASN HB1 . 15189 1 1068 . 1 1 113 113 ASN HB3 H 1 2.968 0.02 . 2 . . . . 93 ASN HB2 . 15189 1 1069 . 1 1 114 114 CYS N N 15 118.967 0.1 . 1 . . . . 94 CYS N . 15189 1 1070 . 1 1 114 114 CYS H H 1 8.278 0.02 . 1 . . . . 94 CYS HN . 15189 1 1071 . 1 1 114 114 CYS C C 13 173.841 0.4 . 1 . . . . 94 CYS CO . 15189 1 1072 . 1 1 114 114 CYS CA C 13 55.576 0.4 . 1 . . . . 94 CYS CA . 15189 1 1073 . 1 1 114 114 CYS HA H 1 5.59 0.02 . 1 . . . . 94 CYS HA . 15189 1 1074 . 1 1 114 114 CYS CB C 13 49.475 0.4 . 1 . . . . 94 CYS CB . 15189 1 1075 . 1 1 114 114 CYS HB2 H 1 2.453 0.02 . 2 . . . . 94 CYS HB1 . 15189 1 1076 . 1 1 114 114 CYS HB3 H 1 3.045 0.02 . 2 . . . . 94 CYS HB2 . 15189 1 1077 . 1 1 115 115 SER N N 15 116.731 0.1 . 1 . . . . 95 SER N . 15189 1 1078 . 1 1 115 115 SER H H 1 9.063 0.02 . 1 . . . . 95 SER HN . 15189 1 1079 . 1 1 115 115 SER C C 13 173.685 0.4 . 1 . . . . 95 SER CO . 15189 1 1080 . 1 1 115 115 SER CA C 13 56.735 0.4 . 1 . . . . 95 SER CA . 15189 1 1081 . 1 1 115 115 SER HA H 1 4.714 0.02 . 1 . . . . 95 SER HA . 15189 1 1082 . 1 1 115 115 SER CB C 13 65.691 0.4 . 1 . . . . 95 SER CB . 15189 1 1083 . 1 1 115 115 SER HB2 H 1 3.836 0.02 . 1 . . . . 95 SER HB . 15189 1 1084 . 1 1 115 115 SER HB3 H 1 3.836 0.02 . 1 . . . . 95 SER HB . 15189 1 1085 . 1 1 116 116 HIS N N 15 120.706 0.1 . 1 . . . . 96 HIS N . 15189 1 1086 . 1 1 116 116 HIS H H 1 8.692 0.02 . 1 . . . . 96 HIS HN . 15189 1 1087 . 1 1 116 116 HIS C C 13 174.943 0.4 . 1 . . . . 96 HIS CO . 15189 1 1088 . 1 1 116 116 HIS CA C 13 56.07 0.4 . 1 . . . . 96 HIS CA . 15189 1 1089 . 1 1 116 116 HIS HA H 1 4.821 0.02 . 1 . . . . 96 HIS HA . 15189 1 1090 . 1 1 116 116 HIS CB C 13 29.264 0.4 . 1 . . . . 96 HIS CB . 15189 1 1091 . 1 1 116 116 HIS HB2 H 1 3.188 0.02 . 1 . . . . 96 HIS HB . 15189 1 1092 . 1 1 116 116 HIS HB3 H 1 3.188 0.02 . 1 . . . . 96 HIS HB . 15189 1 1093 . 1 1 117 117 SER N N 15 119.268 0.1 . 1 . . . . 97 SER N . 15189 1 1094 . 1 1 117 117 SER H H 1 8.181 0.02 . 1 . . . . 97 SER HN . 15189 1 1095 . 1 1 117 117 SER C C 13 174.625 0.4 . 1 . . . . 97 SER CO . 15189 1 1096 . 1 1 117 117 SER CA C 13 57.682 0.4 . 1 . . . . 97 SER CA . 15189 1 1097 . 1 1 117 117 SER HA H 1 4.335 0.02 . 1 . . . . 97 SER HA . 15189 1 1098 . 1 1 117 117 SER CB C 13 63.852 0.4 . 1 . . . . 97 SER CB . 15189 1 1099 . 1 1 117 117 SER HB2 H 1 3.638 0.02 . 1 . . . . 97 SER HB . 15189 1 1100 . 1 1 117 117 SER HB3 H 1 3.638 0.02 . 1 . . . . 97 SER HB . 15189 1 1101 . 1 1 118 118 ARG N N 15 124.037 0.1 . 1 . . . . 98 ARG N . 15189 1 1102 . 1 1 118 118 ARG H H 1 8.469 0.02 . 1 . . . . 98 ARG HN . 15189 1 1103 . 1 1 118 118 ARG C C 13 176.3 0.4 . 1 . . . . 98 ARG CO . 15189 1 1104 . 1 1 118 118 ARG CA C 13 56.569 0.4 . 1 . . . . 98 ARG CA . 15189 1 1105 . 1 1 118 118 ARG HA H 1 4.296 0.02 . 1 . . . . 98 ARG HA . 15189 1 1106 . 1 1 118 118 ARG CB C 13 30.518 0.4 . 1 . . . . 98 ARG CB . 15189 1 1107 . 1 1 118 118 ARG HB2 H 1 1.735 0.02 . 2 . . . . 98 ARG HB1 . 15189 1 1108 . 1 1 118 118 ARG HB3 H 1 1.885 0.02 . 2 . . . . 98 ARG HB2 . 15189 1 1109 . 1 1 118 118 ARG CG C 13 27.257 0.4 . 1 . . . . 98 ARG CG . 15189 1 1110 . 1 1 118 118 ARG HG2 H 1 1.61 0.02 . 1 . . . . 98 ARG HG . 15189 1 1111 . 1 1 118 118 ARG HG3 H 1 1.61 0.02 . 1 . . . . 98 ARG HG . 15189 1 1112 . 1 1 118 118 ARG HD2 H 1 3.184 0.02 . 1 . . . . 98 ARG HD . 15189 1 1113 . 1 1 118 118 ARG HD3 H 1 3.184 0.02 . 1 . . . . 98 ARG HD . 15189 1 1114 . 1 1 119 119 ASN N N 15 117.932 0.1 . 1 . . . . 99 ASN N . 15189 1 1115 . 1 1 119 119 ASN H H 1 8.141 0.02 . 1 . . . . 99 ASN HN . 15189 1 1116 . 1 1 119 119 ASN C C 13 174.824 0.4 . 1 . . . . 99 ASN CO . 15189 1 1117 . 1 1 119 119 ASN CA C 13 53.365 0.4 . 1 . . . . 99 ASN CA . 15189 1 1118 . 1 1 119 119 ASN HA H 1 4.629 0.02 . 1 . . . . 99 ASN HA . 15189 1 1119 . 1 1 119 119 ASN CB C 13 38.868 0.4 . 1 . . . . 99 ASN CB . 15189 1 1120 . 1 1 119 119 ASN HB2 H 1 2.706 0.02 . 2 . . . . 99 ASN HB1 . 15189 1 1121 . 1 1 119 119 ASN HB3 H 1 2.825 0.02 . 2 . . . . 99 ASN HB2 . 15189 1 1122 . 1 1 120 120 ASP N N 15 119.762 0.1 . 1 . . . . 100 ASP N . 15189 1 1123 . 1 1 120 120 ASP H H 1 8.139 0.02 . 1 . . . . 100 ASP HN . 15189 1 1124 . 1 1 120 120 ASP C C 13 175.735 0.4 . 1 . . . . 100 ASP CO . 15189 1 1125 . 1 1 120 120 ASP CA C 13 54.715 0.4 . 1 . . . . 100 ASP CA . 15189 1 1126 . 1 1 120 120 ASP HA H 1 4.443 0.02 . 1 . . . . 100 ASP HA . 15189 1 1127 . 1 1 120 120 ASP CB C 13 40.979 0.4 . 1 . . . . 100 ASP CB . 15189 1 1128 . 1 1 120 120 ASP HB2 H 1 2.601 0.02 . 1 . . . . 100 ASP HB . 15189 1 1129 . 1 1 120 120 ASP HB3 H 1 2.601 0.02 . 1 . . . . 100 ASP HB . 15189 1 1130 . 1 1 121 121 MET N N 15 118.217 0.1 . 1 . . . . 101 MET N . 15189 1 1131 . 1 1 121 121 MET H H 1 7.837 0.02 . 1 . . . . 101 MET HN . 15189 1 1132 . 1 1 121 121 MET C C 13 175.514 0.4 . 1 . . . . 101 MET CO . 15189 1 1133 . 1 1 121 121 MET CA C 13 54.872 0.4 . 1 . . . . 101 MET CA . 15189 1 1134 . 1 1 121 121 MET HA H 1 4.384 0.02 . 1 . . . . 101 MET HA . 15189 1 1135 . 1 1 121 121 MET CB C 13 32.661 0.4 . 1 . . . . 101 MET CB . 15189 1 1136 . 1 1 121 121 MET HB2 H 1 1.798 0.02 . 2 . . . . 101 MET HB1 . 15189 1 1137 . 1 1 121 121 MET HB3 H 1 1.912 0.02 . 2 . . . . 101 MET HB2 . 15189 1 1138 . 1 1 121 121 MET CG C 13 32.057 0.4 . 1 . . . . 101 MET CG . 15189 1 1139 . 1 1 121 121 MET HG2 H 1 2.269 0.02 . 2 . . . . 101 MET HG1 . 15189 1 1140 . 1 1 121 121 MET HG3 H 1 2.361 0.02 . 2 . . . . 101 MET HG2 . 15189 1 1141 . 1 1 122 122 CYS N N 15 119.096 0.1 . 1 . . . . 102 CYS N . 15189 1 1142 . 1 1 122 122 CYS H H 1 7.777 0.02 . 1 . . . . 102 CYS HN . 15189 1 1143 . 1 1 122 122 CYS CA C 13 55.246 0.4 . 1 . . . . 102 CYS CA . 15189 1 1144 . 1 1 122 122 CYS HA H 1 4.669 0.02 . 1 . . . . 102 CYS HA . 15189 1 1145 . 1 1 122 122 CYS CB C 13 43.289 0.4 . 1 . . . . 102 CYS CB . 15189 1 1146 . 1 1 122 122 CYS HB2 H 1 3.167 0.02 . 2 . . . . 102 CYS HB1 . 15189 1 1147 . 1 1 122 122 CYS HB3 H 1 3.421 0.02 . 2 . . . . 102 CYS HB2 . 15189 1 1148 . 1 1 123 123 HIS C C 13 175.284 0.4 . 1 . . . . 103 HIS CO . 15189 1 1149 . 1 1 123 123 HIS CA C 13 55.386 0.4 . 1 . . . . 103 HIS CA . 15189 1 1150 . 1 1 123 123 HIS HA H 1 4.936 0.02 . 1 . . . . 103 HIS HA . 15189 1 1151 . 1 1 123 123 HIS CB C 13 29.763 0.4 . 1 . . . . 103 HIS CB . 15189 1 1152 . 1 1 123 123 HIS HB2 H 1 3.135 0.02 . 1 . . . . 103 HIS HB . 15189 1 1153 . 1 1 123 123 HIS HB3 H 1 3.135 0.02 . 1 . . . . 103 HIS HB . 15189 1 1154 . 1 1 124 124 SER N N 15 122.931 0.1 . 1 . . . . 104 SER N . 15189 1 1155 . 1 1 124 124 SER H H 1 9.105 0.02 . 1 . . . . 104 SER HN . 15189 1 1156 . 1 1 124 124 SER C C 13 173.821 0.4 . 1 . . . . 104 SER CO . 15189 1 1157 . 1 1 124 124 SER CA C 13 58.082 0.4 . 1 . . . . 104 SER CA . 15189 1 1158 . 1 1 124 124 SER HA H 1 4.691 0.02 . 1 . . . . 104 SER HA . 15189 1 1159 . 1 1 124 124 SER CB C 13 64.672 0.4 . 1 . . . . 104 SER CB . 15189 1 1160 . 1 1 124 124 SER HB2 H 1 3.986 0.02 . 2 . . . . 104 SER HB1 . 15189 1 1161 . 1 1 124 124 SER HB3 H 1 4.187 0.02 . 2 . . . . 104 SER HB2 . 15189 1 1162 . 1 1 125 125 LEU N N 15 122.497 0.1 . 1 . . . . 105 LEU N . 15189 1 1163 . 1 1 125 125 LEU H H 1 8.803 0.02 . 1 . . . . 105 LEU HN . 15189 1 1164 . 1 1 125 125 LEU C C 13 176.028 0.4 . 1 . . . . 105 LEU CO . 15189 1 1165 . 1 1 125 125 LEU CA C 13 54.972 0.4 . 1 . . . . 105 LEU CA . 15189 1 1166 . 1 1 125 125 LEU HA H 1 4.35 0.02 . 1 . . . . 105 LEU HA . 15189 1 1167 . 1 1 125 125 LEU CB C 13 44.165 0.4 . 1 . . . . 105 LEU CB . 15189 1 1168 . 1 1 125 125 LEU HB2 H 1 1.425 0.02 . 2 . . . . 105 LEU HB1 . 15189 1 1169 . 1 1 125 125 LEU HB3 H 1 1.693 0.02 . 2 . . . . 105 LEU HB2 . 15189 1 1170 . 1 1 125 125 LEU CG C 13 27.103 0.4 . 1 . . . . 105 LEU CG . 15189 1 1171 . 1 1 125 125 LEU HG H 1 1.49 0.02 . 1 . . . . 105 LEU HG . 15189 1 1172 . 1 1 125 125 LEU CD1 C 13 24.94 0.4 . 2 . . . . 105 LEU CD1 . 15189 1 1173 . 1 1 125 125 LEU HD11 H 1 0.849 0.02 . 2 . . . . 105 LEU HD1 . 15189 1 1174 . 1 1 125 125 LEU HD12 H 1 0.849 0.02 . 2 . . . . 105 LEU HD1 . 15189 1 1175 . 1 1 125 125 LEU HD13 H 1 0.849 0.02 . 2 . . . . 105 LEU HD1 . 15189 1 1176 . 1 1 125 125 LEU CD2 C 13 24.823 0.4 . 2 . . . . 105 LEU CD2 . 15189 1 1177 . 1 1 125 125 LEU HD21 H 1 0.805 0.02 . 2 . . . . 105 LEU HD2 . 15189 1 1178 . 1 1 125 125 LEU HD22 H 1 0.805 0.02 . 2 . . . . 105 LEU HD2 . 15189 1 1179 . 1 1 125 125 LEU HD23 H 1 0.805 0.02 . 2 . . . . 105 LEU HD2 . 15189 1 1180 . 1 1 126 126 GLY N N 15 114.054 0.1 . 1 . . . . 106 GLY N . 15189 1 1181 . 1 1 126 126 GLY H H 1 9.224 0.02 . 1 . . . . 106 GLY HN . 15189 1 1182 . 1 1 126 126 GLY C C 13 170.981 0.4 . 1 . . . . 106 GLY CO . 15189 1 1183 . 1 1 126 126 GLY CA C 13 44.338 0.4 . 1 . . . . 106 GLY CA . 15189 1 1184 . 1 1 126 126 GLY HA2 H 1 3.368 0.02 . 1 . . . . 106 GLY HA1 . 15189 1 1185 . 1 1 126 126 GLY HA3 H 1 4.754 0.02 . 1 . . . . 106 GLY HA2 . 15189 1 1186 . 1 1 127 127 LEU N N 15 123.856 0.1 . 1 . . . . 107 LEU N . 15189 1 1187 . 1 1 127 127 LEU H H 1 8.38 0.02 . 1 . . . . 107 LEU HN . 15189 1 1188 . 1 1 127 127 LEU C C 13 174.417 0.4 . 1 . . . . 107 LEU CO . 15189 1 1189 . 1 1 127 127 LEU CA C 13 53.571 0.4 . 1 . . . . 107 LEU CA . 15189 1 1190 . 1 1 127 127 LEU HA H 1 5.048 0.02 . 1 . . . . 107 LEU HA . 15189 1 1191 . 1 1 127 127 LEU CB C 13 46.512 0.4 . 1 . . . . 107 LEU CB . 15189 1 1192 . 1 1 127 127 LEU HB2 H 1 1.109 0.02 . 2 . . . . 107 LEU HB1 . 15189 1 1193 . 1 1 127 127 LEU HB3 H 1 1.68 0.02 . 2 . . . . 107 LEU HB2 . 15189 1 1194 . 1 1 127 127 LEU CG C 13 27.706 0.4 . 1 . . . . 107 LEU CG . 15189 1 1195 . 1 1 127 127 LEU HG H 1 1.53 0.02 . 1 . . . . 107 LEU HG . 15189 1 1196 . 1 1 127 127 LEU CD1 C 13 27.169 0.4 . 2 . . . . 107 LEU CD1 . 15189 1 1197 . 1 1 127 127 LEU HD11 H 1 0.614 0.02 . 2 . . . . 107 LEU HD1 . 15189 1 1198 . 1 1 127 127 LEU HD12 H 1 0.614 0.02 . 2 . . . . 107 LEU HD1 . 15189 1 1199 . 1 1 127 127 LEU HD13 H 1 0.614 0.02 . 2 . . . . 107 LEU HD1 . 15189 1 1200 . 1 1 127 127 LEU CD2 C 13 23.04 0.4 . 2 . . . . 107 LEU CD2 . 15189 1 1201 . 1 1 127 127 LEU HD21 H 1 0.79 0.02 . 2 . . . . 107 LEU HD2 . 15189 1 1202 . 1 1 127 127 LEU HD22 H 1 0.79 0.02 . 2 . . . . 107 LEU HD2 . 15189 1 1203 . 1 1 127 127 LEU HD23 H 1 0.79 0.02 . 2 . . . . 107 LEU HD2 . 15189 1 1204 . 1 1 128 128 THR N N 15 120.063 0.1 . 1 . . . . 108 THR N . 15189 1 1205 . 1 1 128 128 THR H H 1 8.617 0.02 . 1 . . . . 108 THR HN . 15189 1 1206 . 1 1 128 128 THR C C 13 173.287 0.4 . 1 . . . . 108 THR CO . 15189 1 1207 . 1 1 128 128 THR CA C 13 61.955 0.4 . 1 . . . . 108 THR CA . 15189 1 1208 . 1 1 128 128 THR HA H 1 4.62 0.02 . 1 . . . . 108 THR HA . 15189 1 1209 . 1 1 128 128 THR CB C 13 70.286 0.4 . 1 . . . . 108 THR CB . 15189 1 1210 . 1 1 128 128 THR HB H 1 4.011 0.02 . 1 . . . . 108 THR HB . 15189 1 1211 . 1 1 128 128 THR CG2 C 13 21.872 0.4 . 1 . . . . 108 THR CG2 . 15189 1 1212 . 1 1 128 128 THR HG21 H 1 1.065 0.02 . 1 . . . . 108 THR HG2 . 15189 1 1213 . 1 1 128 128 THR HG22 H 1 1.065 0.02 . 1 . . . . 108 THR HG2 . 15189 1 1214 . 1 1 128 128 THR HG23 H 1 1.065 0.02 . 1 . . . . 108 THR HG2 . 15189 1 1215 . 1 1 129 129 CYS N N 15 127.108 0.1 . 1 . . . . 109 CYS N . 15189 1 1216 . 1 1 129 129 CYS H H 1 9.089 0.02 . 1 . . . . 109 CYS HN . 15189 1 1217 . 1 1 129 129 CYS C C 13 173.359 0.4 . 1 . . . . 109 CYS CO . 15189 1 1218 . 1 1 129 129 CYS CA C 13 53.383 0.4 . 1 . . . . 109 CYS CA . 15189 1 1219 . 1 1 129 129 CYS HA H 1 4.929 0.02 . 1 . . . . 109 CYS HA . 15189 1 1220 . 1 1 129 129 CYS CB C 13 42.627 0.4 . 1 . . . . 109 CYS CB . 15189 1 1221 . 1 1 129 129 CYS HB2 H 1 2.869 0.02 . 2 . . . . 109 CYS HB1 . 15189 1 1222 . 1 1 129 129 CYS HB3 H 1 3.387 0.02 . 2 . . . . 109 CYS HB2 . 15189 1 1223 . 1 1 130 130 LEU N N 15 123.654 0.1 . 1 . . . . 110 LEU N . 15189 1 1224 . 1 1 130 130 LEU H H 1 8.5 0.02 . 1 . . . . 110 LEU HN . 15189 1 1225 . 1 1 130 130 LEU C C 13 175.857 0.4 . 1 . . . . 110 LEU CO . 15189 1 1226 . 1 1 130 130 LEU CA C 13 56.312 0.4 . 1 . . . . 110 LEU CA . 15189 1 1227 . 1 1 130 130 LEU HA H 1 4.034 0.02 . 1 . . . . 110 LEU HA . 15189 1 1228 . 1 1 130 130 LEU CB C 13 42.935 0.4 . 1 . . . . 110 LEU CB . 15189 1 1229 . 1 1 130 130 LEU CG C 13 27.234 0.4 . 1 . . . . 110 LEU CG . 15189 1 1230 . 1 1 130 130 LEU HG H 1 1.668 0.02 . 1 . . . . 110 LEU HG . 15189 1 1231 . 1 1 130 130 LEU CD1 C 13 24.444 0.4 . 2 . . . . 110 LEU CD1 . 15189 1 1232 . 1 1 130 130 LEU HD11 H 1 0.894 0.02 . 2 . . . . 110 LEU HD1 . 15189 1 1233 . 1 1 130 130 LEU HD12 H 1 0.894 0.02 . 2 . . . . 110 LEU HD1 . 15189 1 1234 . 1 1 130 130 LEU HD13 H 1 0.894 0.02 . 2 . . . . 110 LEU HD1 . 15189 1 1235 . 1 1 130 130 LEU CD2 C 13 25.288 0.4 . 2 . . . . 110 LEU CD2 . 15189 1 1236 . 1 1 130 130 LEU HD21 H 1 0.9 0.02 . 2 . . . . 110 LEU HD2 . 15189 1 1237 . 1 1 130 130 LEU HD22 H 1 0.9 0.02 . 2 . . . . 110 LEU HD2 . 15189 1 1238 . 1 1 130 130 LEU HD23 H 1 0.9 0.02 . 2 . . . . 110 LEU HD2 . 15189 1 1239 . 1 1 130 130 LEU HB2 H 1 1.6 0.02 . 1 . . . . 110 LEU HB . 15189 1 1240 . 1 1 130 130 LEU HB3 H 1 1.6 0.02 . 1 . . . . 110 LEU HB . 15189 1 1241 . 1 1 131 131 GLU N N 15 124.916 0.1 . 1 . . . . 111 GLU N . 15189 1 1242 . 1 1 131 131 GLU H H 1 7.586 0.02 . 1 . . . . 111 GLU HN . 15189 1 1243 . 1 1 131 131 GLU CA C 13 58.02 0.4 . 1 . . . . 111 GLU CA . 15189 1 1244 . 1 1 131 131 GLU HA H 1 4.24 0.02 . 1 . . . . 111 GLU HA . 15189 1 1245 . 1 1 131 131 GLU CB C 13 31.075 0.4 . 1 . . . . 111 GLU CB . 15189 1 1246 . 1 1 131 131 GLU HB2 H 1 1.789 0.02 . 2 . . . . 111 GLU HB1 . 15189 1 1247 . 1 1 131 131 GLU HB3 H 1 1.967 0.02 . 2 . . . . 111 GLU HB2 . 15189 1 1248 . 1 1 131 131 GLU CG C 13 36.803 0.4 . 1 . . . . 111 GLU CG . 15189 1 1249 . 1 1 131 131 GLU HG2 H 1 2.147 0.02 . 2 . . . . 111 GLU HG1 . 15189 1 1250 . 1 1 131 131 GLU HG3 H 1 2.188 0.02 . 2 . . . . 111 GLU HG2 . 15189 1 stop_ save_