data_11561 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11561 _Entry.Title ; Redox protein (oxidized form) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-27 _Entry.Accession_date 2014-03-27 _Entry.Last_release_date 2015-05-18 _Entry.Original_release_date 2015-05-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Koya Inagaki . . . 11561 2 Tadashi Satoh . . . 11561 3 Koichi Kato . . . 11561 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 1 'not applicable' 'not applicable' . 11561 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DISULFIDE BOND' . 11561 'ENDOPLASMIC RETICULUM' . 11561 ISOMERASE . 11561 'REDOX-ACTIVE CENTER' . 11561 'THIOREDOXIN FOLD' . 11561 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11561 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 11561 '15N chemical shifts' 110 11561 '1H chemical shifts' 714 11561 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 . . 2015-05-18 . original BMRB . 11561 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11562 '1H , 13C and 15N Assigned Chemical Shifts for PDI (reduced form)' 11561 PDB 2RUE 'BMRB Entry Tracking System' 11561 PDB 2kp1 "Solution structure of the identical a' domain (UNP residues: 354-469) in oxidized form at 310K" 11561 PDB 2kp2 "Solution structure of b' domain (UNP resudiues: 228-355) at 310K" 11561 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11561 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H , 13C and 15N Assigned Chemical Shifts for PDI ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Koya Inagaki . . . 11561 1 2 Tadashi Satoh . . . 11561 1 3 Koichi Kato . . . 11561 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11561 _Assembly.ID 1 _Assembly.Name "a' domain of Protein Disulfide Isomerase (oxidized form)" _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 entity 1 $PDI A . yes native no no . . . 11561 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity 1 CYS 37 37 SG . 1 entity 1 CYS 40 40 SG . . 37 CYS . . . 40 CYS . 11561 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 37 37 HG . 37 . . 11561 1 2 . 1 1 CYS 40 40 HG . 40 . . 11561 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDI _Entity.Sf_category entity _Entity.Sf_framecode PDI _Entity.Entry_ID 11561 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDI _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 ; GPLGSEGPVTVVVAKNYNEI VLDDTKDVLIEFYAPWCGHC KALAPKYEELGALYAKSEFK DRVVIAKVDATANDVPDEIQ GFPTIKLYPAGAKGQPVTYS GSRTVEDLIKFIAENGKYKA A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'UNP RESIDUES 354-469' _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native affinity tag' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment "A' DOMAIN" _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13124.035 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P55059 . . . . . . . . . . . . . . . . 11561 1 2 no BMRB 11562 . PDI . . . . . 100.00 121 100.00 100.00 9.14e-81 . . . . 11561 1 3 no PDB 2DJJ . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 121 100.00 100.00 9.14e-81 . . . . 11561 1 4 no PDB 2KP1 . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 121 100.00 100.00 9.14e-81 . . . . 11561 1 5 no PDB 2RUE . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide (oxidized Form, 303k)" . . . . . 100.00 121 100.00 100.00 9.14e-81 . . . . 11561 1 6 no PDB 2RUF . "Solution Structure Of The A' Domain Of Thermophilic Fungal Protein Disulfide (reduced Form, 303k)" . . . . . 100.00 121 100.00 100.00 9.14e-81 . . . . 11561 1 7 no PDB 3WT1 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (reduced Form)" . . . . . 99.17 247 97.50 97.50 3.86e-76 . . . . 11561 1 8 no PDB 3WT2 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (oxidized Form)" . . . . . 99.17 247 97.50 97.50 3.86e-76 . . . . 11561 1 9 no PDB 5CRW . "Crystal Structure Of The B'-a' Domain Of Oxidized Protein Disulfide Isomerase Complexed With Alpha-synuclein Peptide (31-41)" . . . . . 99.17 247 97.50 97.50 3.86e-76 . . . . 11561 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 1 GLY . 11561 1 2 2 PRO . 11561 1 3 3 LEU . 11561 1 4 4 GLY . 11561 1 5 5 SER . 11561 1 6 6 GLU . 11561 1 7 7 GLY . 11561 1 8 8 PRO . 11561 1 9 9 VAL . 11561 1 10 10 THR . 11561 1 11 11 VAL . 11561 1 12 12 VAL . 11561 1 13 13 VAL . 11561 1 14 14 ALA . 11561 1 15 15 LYS . 11561 1 16 16 ASN . 11561 1 17 17 TYR . 11561 1 18 18 ASN . 11561 1 19 19 GLU . 11561 1 20 20 ILE . 11561 1 21 21 VAL . 11561 1 22 22 LEU . 11561 1 23 23 ASP . 11561 1 24 24 ASP . 11561 1 25 25 THR . 11561 1 26 26 LYS . 11561 1 27 27 ASP . 11561 1 28 28 VAL . 11561 1 29 29 LEU . 11561 1 30 30 ILE . 11561 1 31 31 GLU . 11561 1 32 32 PHE . 11561 1 33 33 TYR . 11561 1 34 34 ALA . 11561 1 35 35 PRO . 11561 1 36 36 TRP . 11561 1 37 37 CYS . 11561 1 38 38 GLY . 11561 1 39 39 HIS . 11561 1 40 40 CYS . 11561 1 41 41 LYS . 11561 1 42 42 ALA . 11561 1 43 43 LEU . 11561 1 44 44 ALA . 11561 1 45 45 PRO . 11561 1 46 46 LYS . 11561 1 47 47 TYR . 11561 1 48 48 GLU . 11561 1 49 49 GLU . 11561 1 50 50 LEU . 11561 1 51 51 GLY . 11561 1 52 52 ALA . 11561 1 53 53 LEU . 11561 1 54 54 TYR . 11561 1 55 55 ALA . 11561 1 56 56 LYS . 11561 1 57 57 SER . 11561 1 58 58 GLU . 11561 1 59 59 PHE . 11561 1 60 60 LYS . 11561 1 61 61 ASP . 11561 1 62 62 ARG . 11561 1 63 63 VAL . 11561 1 64 64 VAL . 11561 1 65 65 ILE . 11561 1 66 66 ALA . 11561 1 67 67 LYS . 11561 1 68 68 VAL . 11561 1 69 69 ASP . 11561 1 70 70 ALA . 11561 1 71 71 THR . 11561 1 72 72 ALA . 11561 1 73 73 ASN . 11561 1 74 74 ASP . 11561 1 75 75 VAL . 11561 1 76 76 PRO . 11561 1 77 77 ASP . 11561 1 78 78 GLU . 11561 1 79 79 ILE . 11561 1 80 80 GLN . 11561 1 81 81 GLY . 11561 1 82 82 PHE . 11561 1 83 83 PRO . 11561 1 84 84 THR . 11561 1 85 85 ILE . 11561 1 86 86 LYS . 11561 1 87 87 LEU . 11561 1 88 88 TYR . 11561 1 89 89 PRO . 11561 1 90 90 ALA . 11561 1 91 91 GLY . 11561 1 92 92 ALA . 11561 1 93 93 LYS . 11561 1 94 94 GLY . 11561 1 95 95 GLN . 11561 1 96 96 PRO . 11561 1 97 97 VAL . 11561 1 98 98 THR . 11561 1 99 99 TYR . 11561 1 100 100 SER . 11561 1 101 101 GLY . 11561 1 102 102 SER . 11561 1 103 103 ARG . 11561 1 104 104 THR . 11561 1 105 105 VAL . 11561 1 106 106 GLU . 11561 1 107 107 ASP . 11561 1 108 108 LEU . 11561 1 109 109 ILE . 11561 1 110 110 LYS . 11561 1 111 111 PHE . 11561 1 112 112 ILE . 11561 1 113 113 ALA . 11561 1 114 114 GLU . 11561 1 115 115 ASN . 11561 1 116 116 GLY . 11561 1 117 117 LYS . 11561 1 118 118 TYR . 11561 1 119 119 LYS . 11561 1 120 120 ALA . 11561 1 121 121 ALA . 11561 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11561 1 . PRO 2 2 11561 1 . LEU 3 3 11561 1 . GLY 4 4 11561 1 . SER 5 5 11561 1 . GLU 6 6 11561 1 . GLY 7 7 11561 1 . PRO 8 8 11561 1 . VAL 9 9 11561 1 . THR 10 10 11561 1 . VAL 11 11 11561 1 . VAL 12 12 11561 1 . VAL 13 13 11561 1 . ALA 14 14 11561 1 . LYS 15 15 11561 1 . ASN 16 16 11561 1 . TYR 17 17 11561 1 . ASN 18 18 11561 1 . GLU 19 19 11561 1 . ILE 20 20 11561 1 . VAL 21 21 11561 1 . LEU 22 22 11561 1 . ASP 23 23 11561 1 . ASP 24 24 11561 1 . THR 25 25 11561 1 . LYS 26 26 11561 1 . ASP 27 27 11561 1 . VAL 28 28 11561 1 . LEU 29 29 11561 1 . ILE 30 30 11561 1 . GLU 31 31 11561 1 . PHE 32 32 11561 1 . TYR 33 33 11561 1 . ALA 34 34 11561 1 . PRO 35 35 11561 1 . TRP 36 36 11561 1 . CYS 37 37 11561 1 . GLY 38 38 11561 1 . HIS 39 39 11561 1 . CYS 40 40 11561 1 . LYS 41 41 11561 1 . ALA 42 42 11561 1 . LEU 43 43 11561 1 . ALA 44 44 11561 1 . PRO 45 45 11561 1 . LYS 46 46 11561 1 . TYR 47 47 11561 1 . GLU 48 48 11561 1 . GLU 49 49 11561 1 . LEU 50 50 11561 1 . GLY 51 51 11561 1 . ALA 52 52 11561 1 . LEU 53 53 11561 1 . TYR 54 54 11561 1 . ALA 55 55 11561 1 . LYS 56 56 11561 1 . SER 57 57 11561 1 . GLU 58 58 11561 1 . PHE 59 59 11561 1 . LYS 60 60 11561 1 . ASP 61 61 11561 1 . ARG 62 62 11561 1 . VAL 63 63 11561 1 . VAL 64 64 11561 1 . ILE 65 65 11561 1 . ALA 66 66 11561 1 . LYS 67 67 11561 1 . VAL 68 68 11561 1 . ASP 69 69 11561 1 . ALA 70 70 11561 1 . THR 71 71 11561 1 . ALA 72 72 11561 1 . ASN 73 73 11561 1 . ASP 74 74 11561 1 . VAL 75 75 11561 1 . PRO 76 76 11561 1 . ASP 77 77 11561 1 . GLU 78 78 11561 1 . ILE 79 79 11561 1 . GLN 80 80 11561 1 . GLY 81 81 11561 1 . PHE 82 82 11561 1 . PRO 83 83 11561 1 . THR 84 84 11561 1 . ILE 85 85 11561 1 . LYS 86 86 11561 1 . LEU 87 87 11561 1 . TYR 88 88 11561 1 . PRO 89 89 11561 1 . ALA 90 90 11561 1 . GLY 91 91 11561 1 . ALA 92 92 11561 1 . LYS 93 93 11561 1 . GLY 94 94 11561 1 . GLN 95 95 11561 1 . PRO 96 96 11561 1 . VAL 97 97 11561 1 . THR 98 98 11561 1 . TYR 99 99 11561 1 . SER 100 100 11561 1 . GLY 101 101 11561 1 . SER 102 102 11561 1 . ARG 103 103 11561 1 . THR 104 104 11561 1 . VAL 105 105 11561 1 . GLU 106 106 11561 1 . ASP 107 107 11561 1 . LEU 108 108 11561 1 . ILE 109 109 11561 1 . LYS 110 110 11561 1 . PHE 111 111 11561 1 . ILE 112 112 11561 1 . ALA 113 113 11561 1 . GLU 114 114 11561 1 . ASN 115 115 11561 1 . GLY 116 116 11561 1 . LYS 117 117 11561 1 . TYR 118 118 11561 1 . LYS 119 119 11561 1 . ALA 120 120 11561 1 . ALA 121 121 11561 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 11561 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PDI . 34413 organism . 'Humicola insolens' 'Soft-rot fungus' . . Eukaryota Fungi Humicola isolens . . . . . . . . . . . . . 11561 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 11561 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PDI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pGEX6P-1 . . . 11561 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11561 _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 PDI [U-15N] . . 1 $PDI . protein 0.1 . . mM . . . . 11561 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11561 1 3 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11561 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11561 1 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11561 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11561 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PDI '[U-13C; U-15N]' . . 1 $PDI . protein 0.1 . . mM . . . . 11561 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11561 2 3 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11561 2 4 D2O 'natural abundance' . . . . . solvent 100 . . % . . . . 11561 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11561 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10MM SODIUM PHOSPHATE,100MM POTASSIUM CHLORIDE' 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' 0.16 . M 11561 1 pH 6.0 . pH 11561 1 pressure 1 . atm 11561 1 temperature 303 . K 11561 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11561 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11561 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11561 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11561 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11561 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11561 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11561 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11561 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11561 3 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11561 _Software.ID 4 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11561 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11561 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 11561 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11561 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 920 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 11561 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11561 1 2 spectrometer_2 JEOL ECA . 920 . . . 11561 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 11561 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11561 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11561 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11561 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11561 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11561 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11561 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 11561 _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 na indirect 0.251449530 . . . . . . . . . 11561 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 11561 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 11561 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 11561 _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' 1 $sample_1 isotropic 11561 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11561 1 3 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 11561 1 4 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 11561 1 5 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 11561 1 6 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11561 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HD2 H 1 3.603 0.05 . 2 . . . A 2 PRO HD2 . 11561 1 2 . 1 1 2 2 PRO HD3 H 1 3.578 0.05 . 2 . . . A 2 PRO HD3 . 11561 1 3 . 1 1 2 2 PRO CD C 13 49.708 0.05 . 1 . . . A 2 PRO CD . 11561 1 4 . 1 1 3 3 LEU HA H 1 4.385 0.05 . 1 . . . A 3 LEU HA . 11561 1 5 . 1 1 3 3 LEU HB2 H 1 1.951 0.05 . 2 . . . A 3 LEU HB2 . 11561 1 6 . 1 1 3 3 LEU HB3 H 1 2.102 0.05 . 2 . . . A 3 LEU HB3 . 11561 1 7 . 1 1 3 3 LEU C C 13 176.353 0.05 . 1 . . . A 3 LEU C . 11561 1 8 . 1 1 4 4 GLY H H 1 8.223 0.05 . 1 . . . A 4 GLY H . 11561 1 9 . 1 1 4 4 GLY HA3 H 1 4.159 0.05 . 2 . . . A 4 GLY HA3 . 11561 1 10 . 1 1 4 4 GLY C C 13 174.193 0.05 . 1 . . . A 4 GLY C . 11561 1 11 . 1 1 4 4 GLY N N 15 109.969 0.05 . 1 . . . A 4 GLY N . 11561 1 12 . 1 1 5 5 SER H H 1 8.143 0.05 . 1 . . . A 5 SER H . 11561 1 13 . 1 1 5 5 SER HA H 1 4.949 0.05 . 1 . . . A 5 SER HA . 11561 1 14 . 1 1 5 5 SER C C 13 178.25 0.05 . 1 . . . A 5 SER C . 11561 1 15 . 1 1 5 5 SER N N 15 115.604 0.05 . 1 . . . A 5 SER N . 11561 1 16 . 1 1 6 6 GLU H H 1 8.611 0.05 . 1 . . . A 6 GLU H . 11561 1 17 . 1 1 6 6 GLU HA H 1 4.385 0.05 . 1 . . . A 6 GLU HA . 11561 1 18 . 1 1 6 6 GLU HB2 H 1 1.276 0.05 . 2 . . . A 6 GLU HB2 . 11561 1 19 . 1 1 6 6 GLU HB3 H 1 1.365 0.05 . 2 . . . A 6 GLU HB3 . 11561 1 20 . 1 1 6 6 GLU C C 13 178.202 0.05 . 1 . . . A 6 GLU C . 11561 1 21 . 1 1 6 6 GLU CA C 13 56.701 0.05 . 1 . . . A 6 GLU CA . 11561 1 22 . 1 1 6 6 GLU CB C 13 30.007 0.05 . 1 . . . A 6 GLU CB . 11561 1 23 . 1 1 6 6 GLU N N 15 122.829 0.05 . 1 . . . A 6 GLU N . 11561 1 24 . 1 1 7 7 GLY H H 1 8.479 0.05 . 1 . . . A 7 GLY H . 11561 1 25 . 1 1 7 7 GLY HA2 H 1 4.064 0.05 . 2 . . . A 7 GLY HA2 . 11561 1 26 . 1 1 7 7 GLY HA3 H 1 4.077 0.05 . 2 . . . A 7 GLY HA3 . 11561 1 27 . 1 1 7 7 GLY C C 13 174.543 0.05 . 1 . . . A 7 GLY C . 11561 1 28 . 1 1 7 7 GLY CA C 13 45.314 0.05 . 1 . . . A 7 GLY CA . 11561 1 29 . 1 1 7 7 GLY N N 15 110.289 0.05 . 1 . . . A 7 GLY N . 11561 1 30 . 1 1 8 8 PRO HA H 1 4.395 0.05 . 1 . . . A 8 PRO HA . 11561 1 31 . 1 1 8 8 PRO HB2 H 1 2.082 0.05 . 2 . . . A 8 PRO HB2 . 11561 1 32 . 1 1 8 8 PRO HB3 H 1 1.783 0.05 . 2 . . . A 8 PRO HB3 . 11561 1 33 . 1 1 8 8 PRO HG2 H 1 1.801 0.05 . 2 . . . A 8 PRO HG2 . 11561 1 34 . 1 1 8 8 PRO CA C 13 64.207 0.05 . 1 . . . A 8 PRO CA . 11561 1 35 . 1 1 8 8 PRO CB C 13 32.053 0.05 . 1 . . . A 8 PRO CB . 11561 1 36 . 1 1 8 8 PRO CG C 13 29.181 0.05 . 1 . . . A 8 PRO CG . 11561 1 37 . 1 1 8 8 PRO CD C 13 50.359 0.05 . 1 . . . A 8 PRO CD . 11561 1 38 . 1 1 9 9 VAL H H 1 7.756 0.05 . 1 . . . A 9 VAL H . 11561 1 39 . 1 1 9 9 VAL HA H 1 4.33 0.05 . 1 . . . A 9 VAL HA . 11561 1 40 . 1 1 9 9 VAL HB H 1 2.03 0.05 . 1 . . . A 9 VAL HB . 11561 1 41 . 1 1 9 9 VAL HG21 H 1 0.744 0.05 . 2 . . . A 9 VAL HG21 . 11561 1 42 . 1 1 9 9 VAL HG22 H 1 0.744 0.05 . 2 . . . A 9 VAL HG22 . 11561 1 43 . 1 1 9 9 VAL HG23 H 1 0.744 0.05 . 2 . . . A 9 VAL HG23 . 11561 1 44 . 1 1 9 9 VAL C C 13 175.942 0.05 . 1 . . . A 9 VAL C . 11561 1 45 . 1 1 9 9 VAL CA C 13 61.426 0.05 . 1 . . . A 9 VAL CA . 11561 1 46 . 1 1 9 9 VAL CB C 13 31.991 0.05 . 1 . . . A 9 VAL CB . 11561 1 47 . 1 1 9 9 VAL CG2 C 13 22.023 0.05 . 2 . . . A 9 VAL CG2 . 11561 1 48 . 1 1 9 9 VAL N N 15 119.008 0.05 . 1 . . . A 9 VAL N . 11561 1 49 . 1 1 10 10 THR H H 1 9.244 0.05 . 1 . . . A 10 THR H . 11561 1 50 . 1 1 10 10 THR HA H 1 4.251 0.05 . 1 . . . A 10 THR HA . 11561 1 51 . 1 1 10 10 THR HB H 1 3.758 0.05 . 1 . . . A 10 THR HB . 11561 1 52 . 1 1 10 10 THR HG21 H 1 1.143 0.05 . 1 . . . A 10 THR HG21 . 11561 1 53 . 1 1 10 10 THR HG22 H 1 1.143 0.05 . 1 . . . A 10 THR HG22 . 11561 1 54 . 1 1 10 10 THR HG23 H 1 1.143 0.05 . 1 . . . A 10 THR HG23 . 11561 1 55 . 1 1 10 10 THR C C 13 177.274 0.05 . 1 . . . A 10 THR C . 11561 1 56 . 1 1 10 10 THR CA C 13 64.06 0.05 . 1 . . . A 10 THR CA . 11561 1 57 . 1 1 10 10 THR CB C 13 69.934 0.05 . 1 . . . A 10 THR CB . 11561 1 58 . 1 1 10 10 THR CG2 C 13 21.859 0.05 . 1 . . . A 10 THR CG2 . 11561 1 59 . 1 1 10 10 THR N N 15 127.592 0.05 . 1 . . . A 10 THR N . 11561 1 60 . 1 1 11 11 VAL H H 1 8.964 0.05 . 1 . . . A 11 VAL H . 11561 1 61 . 1 1 11 11 VAL HA H 1 4.085 0.05 . 1 . . . A 11 VAL HA . 11561 1 62 . 1 1 11 11 VAL HB H 1 1.972 0.05 . 1 . . . A 11 VAL HB . 11561 1 63 . 1 1 11 11 VAL HG11 H 1 1.135 0.05 . 2 . . . A 11 VAL HG11 . 11561 1 64 . 1 1 11 11 VAL HG12 H 1 1.135 0.05 . 2 . . . A 11 VAL HG12 . 11561 1 65 . 1 1 11 11 VAL HG13 H 1 1.135 0.05 . 2 . . . A 11 VAL HG13 . 11561 1 66 . 1 1 11 11 VAL HG21 H 1 1.034 0.05 . 2 . . . A 11 VAL HG21 . 11561 1 67 . 1 1 11 11 VAL HG22 H 1 1.034 0.05 . 2 . . . A 11 VAL HG22 . 11561 1 68 . 1 1 11 11 VAL HG23 H 1 1.034 0.05 . 2 . . . A 11 VAL HG23 . 11561 1 69 . 1 1 11 11 VAL C C 13 174.992 0.05 . 1 . . . A 11 VAL C . 11561 1 70 . 1 1 11 11 VAL CA C 13 63.693 0.05 . 1 . . . A 11 VAL CA . 11561 1 71 . 1 1 11 11 VAL CB C 13 32.351 0.05 . 1 . . . A 11 VAL CB . 11561 1 72 . 1 1 11 11 VAL CG1 C 13 24.175 0.05 . 2 . . . A 11 VAL CG1 . 11561 1 73 . 1 1 11 11 VAL CG2 C 13 22.039 0.05 . 2 . . . A 11 VAL CG2 . 11561 1 74 . 1 1 11 11 VAL N N 15 130.444 0.05 . 1 . . . A 11 VAL N . 11561 1 75 . 1 1 12 12 VAL H H 1 8.933 0.05 . 1 . . . A 12 VAL H . 11561 1 76 . 1 1 12 12 VAL HA H 1 4.515 0.05 . 1 . . . A 12 VAL HA . 11561 1 77 . 1 1 12 12 VAL HB H 1 1.603 0.05 . 1 . . . A 12 VAL HB . 11561 1 78 . 1 1 12 12 VAL HG11 H 1 0.892 0.05 . 2 . . . A 12 VAL HG11 . 11561 1 79 . 1 1 12 12 VAL HG12 H 1 0.892 0.05 . 2 . . . A 12 VAL HG12 . 11561 1 80 . 1 1 12 12 VAL HG13 H 1 0.892 0.05 . 2 . . . A 12 VAL HG13 . 11561 1 81 . 1 1 12 12 VAL HG21 H 1 0.838 0.05 . 2 . . . A 12 VAL HG21 . 11561 1 82 . 1 1 12 12 VAL HG22 H 1 0.838 0.05 . 2 . . . A 12 VAL HG22 . 11561 1 83 . 1 1 12 12 VAL HG23 H 1 0.838 0.05 . 2 . . . A 12 VAL HG23 . 11561 1 84 . 1 1 12 12 VAL C C 13 173.691 0.05 . 1 . . . A 12 VAL C . 11561 1 85 . 1 1 12 12 VAL CA C 13 61.002 0.05 . 1 . . . A 12 VAL CA . 11561 1 86 . 1 1 12 12 VAL CB C 13 33.215 0.05 . 1 . . . A 12 VAL CB . 11561 1 87 . 1 1 12 12 VAL CG1 C 13 22.777 0.05 . 2 . . . A 12 VAL CG1 . 11561 1 88 . 1 1 12 12 VAL CG2 C 13 21.631 0.05 . 2 . . . A 12 VAL CG2 . 11561 1 89 . 1 1 12 12 VAL N N 15 131.204 0.05 . 1 . . . A 12 VAL N . 11561 1 90 . 1 1 13 13 VAL H H 1 9.167 0.05 . 1 . . . A 13 VAL H . 11561 1 91 . 1 1 13 13 VAL HA H 1 4.375 0.05 . 1 . . . A 13 VAL HA . 11561 1 92 . 1 1 13 13 VAL HB H 1 2.527 0.05 . 1 . . . A 13 VAL HB . 11561 1 93 . 1 1 13 13 VAL HG11 H 1 0.918 0.05 . 2 . . . A 13 VAL HG11 . 11561 1 94 . 1 1 13 13 VAL HG12 H 1 0.918 0.05 . 2 . . . A 13 VAL HG12 . 11561 1 95 . 1 1 13 13 VAL HG13 H 1 0.918 0.05 . 2 . . . A 13 VAL HG13 . 11561 1 96 . 1 1 13 13 VAL HG21 H 1 0.774 0.05 . 2 . . . A 13 VAL HG21 . 11561 1 97 . 1 1 13 13 VAL HG22 H 1 0.774 0.05 . 2 . . . A 13 VAL HG22 . 11561 1 98 . 1 1 13 13 VAL HG23 H 1 0.774 0.05 . 2 . . . A 13 VAL HG23 . 11561 1 99 . 1 1 13 13 VAL C C 13 175.934 0.05 . 1 . . . A 13 VAL C . 11561 1 100 . 1 1 13 13 VAL CA C 13 58.449 0.05 . 1 . . . A 13 VAL CA . 11561 1 101 . 1 1 13 13 VAL CB C 13 35.161 0.05 . 1 . . . A 13 VAL CB . 11561 1 102 . 1 1 13 13 VAL CG1 C 13 22.588 0.05 . 2 . . . A 13 VAL CG1 . 11561 1 103 . 1 1 13 13 VAL CG2 C 13 18.715 0.05 . 2 . . . A 13 VAL CG2 . 11561 1 104 . 1 1 13 13 VAL N N 15 119.277 0.05 . 1 . . . A 13 VAL N . 11561 1 105 . 1 1 14 14 ALA H H 1 8.306 0.05 . 1 . . . A 14 ALA H . 11561 1 106 . 1 1 14 14 ALA HA H 1 4.011 0.05 . 1 . . . A 14 ALA HA . 11561 1 107 . 1 1 14 14 ALA HB1 H 1 1.625 0.05 . 1 . . . A 14 ALA HB1 . 11561 1 108 . 1 1 14 14 ALA HB2 H 1 1.625 0.05 . 1 . . . A 14 ALA HB2 . 11561 1 109 . 1 1 14 14 ALA HB3 H 1 1.625 0.05 . 1 . . . A 14 ALA HB3 . 11561 1 110 . 1 1 14 14 ALA C C 13 180.967 0.05 . 1 . . . A 14 ALA C . 11561 1 111 . 1 1 14 14 ALA CA C 13 56.433 0.05 . 1 . . . A 14 ALA CA . 11561 1 112 . 1 1 14 14 ALA CB C 13 18.582 0.05 . 1 . . . A 14 ALA CB . 11561 1 113 . 1 1 14 14 ALA N N 15 122.756 0.05 . 1 . . . A 14 ALA N . 11561 1 114 . 1 1 15 15 LYS H H 1 8.257 0.05 . 1 . . . A 15 LYS H . 11561 1 115 . 1 1 15 15 LYS HA H 1 4.242 0.05 . 1 . . . A 15 LYS HA . 11561 1 116 . 1 1 15 15 LYS HB2 H 1 2.142 0.05 . 2 . . . A 15 LYS HB2 . 11561 1 117 . 1 1 15 15 LYS HB3 H 1 1.807 0.05 . 2 . . . A 15 LYS HB3 . 11561 1 118 . 1 1 15 15 LYS HG3 H 1 1.907 0.05 . 2 . . . A 15 LYS HG3 . 11561 1 119 . 1 1 15 15 LYS C C 13 176.553 0.05 . 1 . . . A 15 LYS C . 11561 1 120 . 1 1 15 15 LYS CA C 13 58.263 0.05 . 1 . . . A 15 LYS CA . 11561 1 121 . 1 1 15 15 LYS CB C 13 32.756 0.05 . 1 . . . A 15 LYS CB . 11561 1 122 . 1 1 15 15 LYS CG C 13 26.007 0.05 . 1 . . . A 15 LYS CG . 11561 1 123 . 1 1 15 15 LYS N N 15 112.03 0.05 . 1 . . . A 15 LYS N . 11561 1 124 . 1 1 16 16 ASN H H 1 7.444 0.05 . 1 . . . A 16 ASN H . 11561 1 125 . 1 1 16 16 ASN HA H 1 5.219 0.05 . 1 . . . A 16 ASN HA . 11561 1 126 . 1 1 16 16 ASN HB2 H 1 2.636 0.05 . 2 . . . A 16 ASN HB2 . 11561 1 127 . 1 1 16 16 ASN HB3 H 1 3.307 0.05 . 2 . . . A 16 ASN HB3 . 11561 1 128 . 1 1 16 16 ASN HD21 H 1 6.501 0.05 . 2 . . . A 16 ASN HD21 . 11561 1 129 . 1 1 16 16 ASN HD22 H 1 7.503 0.05 . 2 . . . A 16 ASN HD22 . 11561 1 130 . 1 1 16 16 ASN C C 13 177.279 0.05 . 1 . . . A 16 ASN C . 11561 1 131 . 1 1 16 16 ASN CA C 13 51.839 0.05 . 1 . . . A 16 ASN CA . 11561 1 132 . 1 1 16 16 ASN CB C 13 38.884 0.05 . 1 . . . A 16 ASN CB . 11561 1 133 . 1 1 16 16 ASN N N 15 114.714 0.05 . 1 . . . A 16 ASN N . 11561 1 134 . 1 1 16 16 ASN ND2 N 15 106.068 0.05 . 1 . . . A 16 ASN ND2 . 11561 1 135 . 1 1 17 17 TYR H H 1 7.415 0.05 . 1 . . . A 17 TYR H . 11561 1 136 . 1 1 17 17 TYR HA H 1 3.788 0.05 . 1 . . . A 17 TYR HA . 11561 1 137 . 1 1 17 17 TYR HB2 H 1 2.874 0.05 . 2 . . . A 17 TYR HB2 . 11561 1 138 . 1 1 17 17 TYR HB3 H 1 3.101 0.05 . 2 . . . A 17 TYR HB3 . 11561 1 139 . 1 1 17 17 TYR HD1 H 1 6.913 0.05 . 3 . . . A 17 TYR HD1 . 11561 1 140 . 1 1 17 17 TYR HE1 H 1 6.64 0.05 . 3 . . . A 17 TYR HE1 . 11561 1 141 . 1 1 17 17 TYR CA C 13 62.799 0.05 . 1 . . . A 17 TYR CA . 11561 1 142 . 1 1 17 17 TYR CB C 13 38.882 0.05 . 1 . . . A 17 TYR CB . 11561 1 143 . 1 1 17 17 TYR CD1 C 13 133.128 0.05 . 3 . . . A 17 TYR CD1 . 11561 1 144 . 1 1 17 17 TYR CE1 C 13 118.972 0.05 . 3 . . . A 17 TYR CE1 . 11561 1 145 . 1 1 17 17 TYR N N 15 120.548 0.05 . 1 . . . A 17 TYR N . 11561 1 146 . 1 1 18 18 ASN H H 1 9.011 0.05 . 1 . . . A 18 ASN H . 11561 1 147 . 1 1 18 18 ASN HA H 1 4.138 0.05 . 1 . . . A 18 ASN HA . 11561 1 148 . 1 1 18 18 ASN HB2 H 1 2.916 0.05 . 2 . . . A 18 ASN HB2 . 11561 1 149 . 1 1 18 18 ASN HB3 H 1 2.814 0.05 . 2 . . . A 18 ASN HB3 . 11561 1 150 . 1 1 18 18 ASN HD21 H 1 7.515 0.05 . 2 . . . A 18 ASN HD21 . 11561 1 151 . 1 1 18 18 ASN HD22 H 1 6.705 0.05 . 2 . . . A 18 ASN HD22 . 11561 1 152 . 1 1 18 18 ASN C C 13 177.303 0.05 . 1 . . . A 18 ASN C . 11561 1 153 . 1 1 18 18 ASN CA C 13 56.512 0.05 . 1 . . . A 18 ASN CA . 11561 1 154 . 1 1 18 18 ASN CB C 13 36.96 0.05 . 1 . . . A 18 ASN CB . 11561 1 155 . 1 1 19 19 GLU H H 1 8.005 0.05 . 1 . . . A 19 GLU H . 11561 1 156 . 1 1 19 19 GLU HA H 1 3.878 0.05 . 1 . . . A 19 GLU HA . 11561 1 157 . 1 1 19 19 GLU HB2 H 1 2.148 0.05 . 2 . . . A 19 GLU HB2 . 11561 1 158 . 1 1 19 19 GLU HB3 H 1 2.005 0.05 . 2 . . . A 19 GLU HB3 . 11561 1 159 . 1 1 19 19 GLU HG3 H 1 2.409 0.05 . 2 . . . A 19 GLU HG3 . 11561 1 160 . 1 1 19 19 GLU C C 13 176.867 0.05 . 1 . . . A 19 GLU C . 11561 1 161 . 1 1 19 19 GLU CA C 13 58.718 0.05 . 1 . . . A 19 GLU CA . 11561 1 162 . 1 1 19 19 GLU CB C 13 29.973 0.05 . 1 . . . A 19 GLU CB . 11561 1 163 . 1 1 19 19 GLU N N 15 118.843 0.05 . 1 . . . A 19 GLU N . 11561 1 164 . 1 1 20 20 ILE H H 1 7.776 0.05 . 1 . . . A 20 ILE H . 11561 1 165 . 1 1 20 20 ILE HA H 1 4.145 0.05 . 1 . . . A 20 ILE HA . 11561 1 166 . 1 1 20 20 ILE HB H 1 1.569 0.05 . 1 . . . A 20 ILE HB . 11561 1 167 . 1 1 20 20 ILE HG12 H 1 1.335 0.05 . 2 . . . A 20 ILE HG12 . 11561 1 168 . 1 1 20 20 ILE HG13 H 1 1.464 0.05 . 2 . . . A 20 ILE HG13 . 11561 1 169 . 1 1 20 20 ILE HG21 H 1 0.593 0.05 . 1 . . . A 20 ILE HG21 . 11561 1 170 . 1 1 20 20 ILE HG22 H 1 0.593 0.05 . 1 . . . A 20 ILE HG22 . 11561 1 171 . 1 1 20 20 ILE HG23 H 1 0.593 0.05 . 1 . . . A 20 ILE HG23 . 11561 1 172 . 1 1 20 20 ILE HD11 H 1 0.737 0.05 . 1 . . . A 20 ILE HD11 . 11561 1 173 . 1 1 20 20 ILE HD12 H 1 0.737 0.05 . 1 . . . A 20 ILE HD12 . 11561 1 174 . 1 1 20 20 ILE HD13 H 1 0.737 0.05 . 1 . . . A 20 ILE HD13 . 11561 1 175 . 1 1 20 20 ILE C C 13 176.834 0.05 . 1 . . . A 20 ILE C . 11561 1 176 . 1 1 20 20 ILE CA C 13 61.698 0.05 . 1 . . . A 20 ILE CA . 11561 1 177 . 1 1 20 20 ILE CB C 13 38.416 0.05 . 1 . . . A 20 ILE CB . 11561 1 178 . 1 1 20 20 ILE CG1 C 13 11.314 0.05 . 1 . . . A 20 ILE CG1 . 11561 1 179 . 1 1 20 20 ILE CG2 C 13 27.828 0.05 . 1 . . . A 20 ILE CG2 . 11561 1 180 . 1 1 20 20 ILE CD1 C 13 16.599 0.05 . 1 . . . A 20 ILE CD1 . 11561 1 181 . 1 1 20 20 ILE N N 15 115.495 0.05 . 1 . . . A 20 ILE N . 11561 1 182 . 1 1 21 21 VAL H H 1 8.398 0.05 . 1 . . . A 21 VAL H . 11561 1 183 . 1 1 21 21 VAL HA H 1 3.216 0.05 . 1 . . . A 21 VAL HA . 11561 1 184 . 1 1 21 21 VAL HB H 1 0.974 0.05 . 1 . . . A 21 VAL HB . 11561 1 185 . 1 1 21 21 VAL HG11 H 1 0.207 0.05 . 1 . . . A 21 VAL HG11 . 11561 1 186 . 1 1 21 21 VAL HG12 H 1 0.207 0.05 . 1 . . . A 21 VAL HG12 . 11561 1 187 . 1 1 21 21 VAL HG13 H 1 0.207 0.05 . 1 . . . A 21 VAL HG13 . 11561 1 188 . 1 1 21 21 VAL HG21 H 1 -0.083 0.05 . 1 . . . A 21 VAL HG21 . 11561 1 189 . 1 1 21 21 VAL HG22 H 1 -0.083 0.05 . 1 . . . A 21 VAL HG22 . 11561 1 190 . 1 1 21 21 VAL HG23 H 1 -0.083 0.05 . 1 . . . A 21 VAL HG23 . 11561 1 191 . 1 1 21 21 VAL C C 13 177.26 0.05 . 1 . . . A 21 VAL C . 11561 1 192 . 1 1 21 21 VAL CA C 13 66.275 0.05 . 1 . . . A 21 VAL CA . 11561 1 193 . 1 1 21 21 VAL CB C 13 31.191 0.05 . 1 . . . A 21 VAL CB . 11561 1 194 . 1 1 21 21 VAL CG1 C 13 23.616 0.05 . 1 . . . A 21 VAL CG1 . 11561 1 195 . 1 1 21 21 VAL CG2 C 13 20.844 0.05 . 1 . . . A 21 VAL CG2 . 11561 1 196 . 1 1 21 21 VAL N N 15 117.175 0.05 . 1 . . . A 21 VAL N . 11561 1 197 . 1 1 22 22 LEU H H 1 6.816 0.05 . 1 . . . A 22 LEU H . 11561 1 198 . 1 1 22 22 LEU HA H 1 4.127 0.05 . 1 . . . A 22 LEU HA . 11561 1 199 . 1 1 22 22 LEU HB2 H 1 2.175 0.05 . 2 . . . A 22 LEU HB2 . 11561 1 200 . 1 1 22 22 LEU HB3 H 1 1.681 0.05 . 2 . . . A 22 LEU HB3 . 11561 1 201 . 1 1 22 22 LEU HG H 1 1.408 0.05 . 1 . . . A 22 LEU HG . 11561 1 202 . 1 1 22 22 LEU HD11 H 1 1.006 0.05 . 2 . . . A 22 LEU HD11 . 11561 1 203 . 1 1 22 22 LEU HD12 H 1 1.006 0.05 . 2 . . . A 22 LEU HD12 . 11561 1 204 . 1 1 22 22 LEU HD13 H 1 1.006 0.05 . 2 . . . A 22 LEU HD13 . 11561 1 205 . 1 1 22 22 LEU HD21 H 1 0.691 0.05 . 2 . . . A 22 LEU HD21 . 11561 1 206 . 1 1 22 22 LEU HD22 H 1 0.691 0.05 . 2 . . . A 22 LEU HD22 . 11561 1 207 . 1 1 22 22 LEU HD23 H 1 0.691 0.05 . 2 . . . A 22 LEU HD23 . 11561 1 208 . 1 1 22 22 LEU C C 13 174.971 0.05 . 1 . . . A 22 LEU C . 11561 1 209 . 1 1 22 22 LEU CA C 13 53.473 0.05 . 1 . . . A 22 LEU CA . 11561 1 210 . 1 1 22 22 LEU CB C 13 38.476 0.05 . 1 . . . A 22 LEU CB . 11561 1 211 . 1 1 22 22 LEU CG C 13 25.275 0.05 . 1 . . . A 22 LEU CG . 11561 1 212 . 1 1 22 22 LEU CD1 C 13 28.191 0.05 . 2 . . . A 22 LEU CD1 . 11561 1 213 . 1 1 22 22 LEU CD2 C 13 27.095 0.05 . 2 . . . A 22 LEU CD2 . 11561 1 214 . 1 1 22 22 LEU N N 15 114.895 0.05 . 1 . . . A 22 LEU N . 11561 1 215 . 1 1 23 23 ASP H H 1 6.196 0.05 . 1 . . . A 23 ASP H . 11561 1 216 . 1 1 23 23 ASP HA H 1 4.404 0.05 . 1 . . . A 23 ASP HA . 11561 1 217 . 1 1 23 23 ASP HB2 H 1 2.889 0.05 . 2 . . . A 23 ASP HB2 . 11561 1 218 . 1 1 23 23 ASP HB3 H 1 2.714 0.05 . 2 . . . A 23 ASP HB3 . 11561 1 219 . 1 1 23 23 ASP C C 13 172.973 0.05 . 1 . . . A 23 ASP C . 11561 1 220 . 1 1 23 23 ASP CA C 13 53.964 0.05 . 1 . . . A 23 ASP CA . 11561 1 221 . 1 1 23 23 ASP CB C 13 40.408 0.05 . 1 . . . A 23 ASP CB . 11561 1 222 . 1 1 23 23 ASP N N 15 116.755 0.05 . 1 . . . A 23 ASP N . 11561 1 223 . 1 1 24 24 ASP H H 1 8.727 0.05 . 1 . . . A 24 ASP H . 11561 1 224 . 1 1 24 24 ASP HA H 1 4.775 0.05 . 1 . . . A 24 ASP HA . 11561 1 225 . 1 1 24 24 ASP HB2 H 1 2.66 0.05 . 2 . . . A 24 ASP HB2 . 11561 1 226 . 1 1 24 24 ASP HB3 H 1 2.719 0.05 . 2 . . . A 24 ASP HB3 . 11561 1 227 . 1 1 24 24 ASP C C 13 176.276 0.05 . 1 . . . A 24 ASP C . 11561 1 228 . 1 1 24 24 ASP CA C 13 56.147 0.05 . 1 . . . A 24 ASP CA . 11561 1 229 . 1 1 24 24 ASP CB C 13 40.744 0.05 . 1 . . . A 24 ASP CB . 11561 1 230 . 1 1 24 24 ASP N N 15 129.715 0.05 . 1 . . . A 24 ASP N . 11561 1 231 . 1 1 25 25 THR H H 1 8.606 0.05 . 1 . . . A 25 THR H . 11561 1 232 . 1 1 25 25 THR HA H 1 4.479 0.05 . 1 . . . A 25 THR HA . 11561 1 233 . 1 1 25 25 THR HB H 1 4.459 0.05 . 1 . . . A 25 THR HB . 11561 1 234 . 1 1 25 25 THR HG21 H 1 1.288 0.05 . 1 . . . A 25 THR HG21 . 11561 1 235 . 1 1 25 25 THR HG22 H 1 1.288 0.05 . 1 . . . A 25 THR HG22 . 11561 1 236 . 1 1 25 25 THR HG23 H 1 1.288 0.05 . 1 . . . A 25 THR HG23 . 11561 1 237 . 1 1 25 25 THR C C 13 175.899 0.05 . 1 . . . A 25 THR C . 11561 1 238 . 1 1 25 25 THR CA C 13 62.289 0.05 . 1 . . . A 25 THR CA . 11561 1 239 . 1 1 25 25 THR CB C 13 70.049 0.05 . 1 . . . A 25 THR CB . 11561 1 240 . 1 1 25 25 THR CG2 C 13 21.188 0.05 . 1 . . . A 25 THR CG2 . 11561 1 241 . 1 1 25 25 THR N N 15 106.769 0.05 . 1 . . . A 25 THR N . 11561 1 242 . 1 1 26 26 LYS H H 1 7.795 0.05 . 1 . . . A 26 LYS H . 11561 1 243 . 1 1 26 26 LYS HA H 1 5.22 0.05 . 1 . . . A 26 LYS HA . 11561 1 244 . 1 1 26 26 LYS HB3 H 1 1.375 0.05 . 2 . . . A 26 LYS HB3 . 11561 1 245 . 1 1 26 26 LYS HG3 H 1 1.106 0.05 . 2 . . . A 26 LYS HG3 . 11561 1 246 . 1 1 26 26 LYS C C 13 176.395 0.05 . 1 . . . A 26 LYS C . 11561 1 247 . 1 1 26 26 LYS CA C 13 54.831 0.05 . 1 . . . A 26 LYS CA . 11561 1 248 . 1 1 26 26 LYS CB C 13 36.36 0.05 . 1 . . . A 26 LYS CB . 11561 1 249 . 1 1 26 26 LYS N N 15 121.494 0.05 . 1 . . . A 26 LYS N . 11561 1 250 . 1 1 27 27 ASP H H 1 8.923 0.05 . 1 . . . A 27 ASP H . 11561 1 251 . 1 1 27 27 ASP HA H 1 4.975 0.05 . 1 . . . A 27 ASP HA . 11561 1 252 . 1 1 27 27 ASP HB2 H 1 2.908 0.05 . 2 . . . A 27 ASP HB2 . 11561 1 253 . 1 1 27 27 ASP HB3 H 1 2.294 0.05 . 2 . . . A 27 ASP HB3 . 11561 1 254 . 1 1 27 27 ASP C C 13 174.715 0.05 . 1 . . . A 27 ASP C . 11561 1 255 . 1 1 27 27 ASP CA C 13 54.795 0.05 . 1 . . . A 27 ASP CA . 11561 1 256 . 1 1 27 27 ASP CB C 13 42.776 0.05 . 1 . . . A 27 ASP CB . 11561 1 257 . 1 1 27 27 ASP N N 15 124.736 0.05 . 1 . . . A 27 ASP N . 11561 1 258 . 1 1 28 28 VAL H H 1 7.653 0.05 . 1 . . . A 28 VAL H . 11561 1 259 . 1 1 28 28 VAL HA H 1 3.807 0.05 . 1 . . . A 28 VAL HA . 11561 1 260 . 1 1 28 28 VAL HB H 1 2.123 0.05 . 1 . . . A 28 VAL HB . 11561 1 261 . 1 1 28 28 VAL HG11 H 1 0.997 0.05 . 2 . . . A 28 VAL HG11 . 11561 1 262 . 1 1 28 28 VAL HG12 H 1 0.997 0.05 . 2 . . . A 28 VAL HG12 . 11561 1 263 . 1 1 28 28 VAL HG13 H 1 0.997 0.05 . 2 . . . A 28 VAL HG13 . 11561 1 264 . 1 1 28 28 VAL HG21 H 1 0.673 0.05 . 2 . . . A 28 VAL HG21 . 11561 1 265 . 1 1 28 28 VAL HG22 H 1 0.673 0.05 . 2 . . . A 28 VAL HG22 . 11561 1 266 . 1 1 28 28 VAL HG23 H 1 0.673 0.05 . 2 . . . A 28 VAL HG23 . 11561 1 267 . 1 1 28 28 VAL C C 13 173.786 0.05 . 1 . . . A 28 VAL C . 11561 1 268 . 1 1 28 28 VAL CA C 13 60.969 0.05 . 1 . . . A 28 VAL CA . 11561 1 269 . 1 1 28 28 VAL CB C 13 34.172 0.05 . 1 . . . A 28 VAL CB . 11561 1 270 . 1 1 28 28 VAL CG1 C 13 19.739 0.05 . 2 . . . A 28 VAL CG1 . 11561 1 271 . 1 1 28 28 VAL CG2 C 13 20.244 0.05 . 2 . . . A 28 VAL CG2 . 11561 1 272 . 1 1 28 28 VAL N N 15 122.271 0.05 . 1 . . . A 28 VAL N . 11561 1 273 . 1 1 29 29 LEU H H 1 9.3 0.05 . 1 . . . A 29 LEU H . 11561 1 274 . 1 1 29 29 LEU HA H 1 5.216 0.05 . 1 . . . A 29 LEU HA . 11561 1 275 . 1 1 29 29 LEU HB2 H 1 2.257 0.05 . 2 . . . A 29 LEU HB2 . 11561 1 276 . 1 1 29 29 LEU HB3 H 1 0.991 0.05 . 2 . . . A 29 LEU HB3 . 11561 1 277 . 1 1 29 29 LEU HG H 1 1.851 0.05 . 1 . . . A 29 LEU HG . 11561 1 278 . 1 1 29 29 LEU HD11 H 1 1.174 0.05 . 2 . . . A 29 LEU HD11 . 11561 1 279 . 1 1 29 29 LEU HD12 H 1 1.174 0.05 . 2 . . . A 29 LEU HD12 . 11561 1 280 . 1 1 29 29 LEU HD13 H 1 1.174 0.05 . 2 . . . A 29 LEU HD13 . 11561 1 281 . 1 1 29 29 LEU HD21 H 1 0.951 0.05 . 2 . . . A 29 LEU HD21 . 11561 1 282 . 1 1 29 29 LEU HD22 H 1 0.951 0.05 . 2 . . . A 29 LEU HD22 . 11561 1 283 . 1 1 29 29 LEU HD23 H 1 0.951 0.05 . 2 . . . A 29 LEU HD23 . 11561 1 284 . 1 1 29 29 LEU C C 13 173.379 0.05 . 1 . . . A 29 LEU C . 11561 1 285 . 1 1 29 29 LEU CA C 13 53.341 0.05 . 1 . . . A 29 LEU CA . 11561 1 286 . 1 1 29 29 LEU CB C 13 44.405 0.05 . 1 . . . A 29 LEU CB . 11561 1 287 . 1 1 29 29 LEU CG C 13 24.844 0.05 . 1 . . . A 29 LEU CG . 11561 1 288 . 1 1 29 29 LEU CD2 C 13 24.906 0.05 . 2 . . . A 29 LEU CD2 . 11561 1 289 . 1 1 29 29 LEU N N 15 133.366 0.05 . 1 . . . A 29 LEU N . 11561 1 290 . 1 1 30 30 ILE H H 1 9.78 0.05 . 1 . . . A 30 ILE H . 11561 1 291 . 1 1 30 30 ILE HA H 1 5.057 0.05 . 1 . . . A 30 ILE HA . 11561 1 292 . 1 1 30 30 ILE HB H 1 1.305 0.05 . 1 . . . A 30 ILE HB . 11561 1 293 . 1 1 30 30 ILE HG12 H 1 0.265 0.05 . 2 . . . A 30 ILE HG12 . 11561 1 294 . 1 1 30 30 ILE HG13 H 1 0.625 0.05 . 2 . . . A 30 ILE HG13 . 11561 1 295 . 1 1 30 30 ILE HG21 H 1 1.17 0.05 . 1 . . . A 30 ILE HG21 . 11561 1 296 . 1 1 30 30 ILE HG22 H 1 1.17 0.05 . 1 . . . A 30 ILE HG22 . 11561 1 297 . 1 1 30 30 ILE HG23 H 1 1.17 0.05 . 1 . . . A 30 ILE HG23 . 11561 1 298 . 1 1 30 30 ILE C C 13 171.669 0.05 . 1 . . . A 30 ILE C . 11561 1 299 . 1 1 30 30 ILE CA C 13 57.04 0.05 . 1 . . . A 30 ILE CA . 11561 1 300 . 1 1 30 30 ILE CB C 13 42.881 0.05 . 1 . . . A 30 ILE CB . 11561 1 301 . 1 1 30 30 ILE CG1 C 13 15.337 0.05 . 1 . . . A 30 ILE CG1 . 11561 1 302 . 1 1 30 30 ILE CG2 C 13 28.471 0.05 . 1 . . . A 30 ILE CG2 . 11561 1 303 . 1 1 30 30 ILE CD1 C 13 15.878 0.05 . 1 . . . A 30 ILE CD1 . 11561 1 304 . 1 1 30 30 ILE N N 15 125.183 0.05 . 1 . . . A 30 ILE N . 11561 1 305 . 1 1 31 31 GLU H H 1 7.998 0.05 . 1 . . . A 31 GLU H . 11561 1 306 . 1 1 31 31 GLU HA H 1 4.996 0.05 . 1 . . . A 31 GLU HA . 11561 1 307 . 1 1 31 31 GLU HB2 H 1 1.777 0.05 . 2 . . . A 31 GLU HB2 . 11561 1 308 . 1 1 31 31 GLU HB3 H 1 1.878 0.05 . 2 . . . A 31 GLU HB3 . 11561 1 309 . 1 1 31 31 GLU CA C 13 53.336 0.05 . 1 . . . A 31 GLU CA . 11561 1 310 . 1 1 31 31 GLU CB C 13 29.159 0.05 . 1 . . . A 31 GLU CB . 11561 1 311 . 1 1 31 31 GLU N N 15 127.723 0.05 . 1 . . . A 31 GLU N . 11561 1 312 . 1 1 32 32 PHE H H 1 9.946 0.05 . 1 . . . A 32 PHE H . 11561 1 313 . 1 1 32 32 PHE HA H 1 5.347 0.05 . 1 . . . A 32 PHE HA . 11561 1 314 . 1 1 32 32 PHE HB2 H 1 3.369 0.05 . 2 . . . A 32 PHE HB2 . 11561 1 315 . 1 1 32 32 PHE HB3 H 1 2.943 0.05 . 2 . . . A 32 PHE HB3 . 11561 1 316 . 1 1 32 32 PHE HD2 H 1 7.27 0.05 . 3 . . . A 32 PHE HD2 . 11561 1 317 . 1 1 32 32 PHE HZ H 1 7.617 0.05 . 1 . . . A 32 PHE HZ . 11561 1 318 . 1 1 32 32 PHE C C 13 175.169 0.05 . 1 . . . A 32 PHE C . 11561 1 319 . 1 1 32 32 PHE CA C 13 56.065 0.05 . 1 . . . A 32 PHE CA . 11561 1 320 . 1 1 32 32 PHE CB C 13 39.704 0.05 . 1 . . . A 32 PHE CB . 11561 1 321 . 1 1 32 32 PHE CD2 C 13 132.868 0.05 . 3 . . . A 32 PHE CD2 . 11561 1 322 . 1 1 32 32 PHE CZ C 13 131.031 0.05 . 1 . . . A 32 PHE CZ . 11561 1 323 . 1 1 32 32 PHE N N 15 128.454 0.05 . 1 . . . A 32 PHE N . 11561 1 324 . 1 1 33 33 TYR H H 1 8.906 0.05 . 1 . . . A 33 TYR H . 11561 1 325 . 1 1 33 33 TYR HA H 1 5.12 0.05 . 1 . . . A 33 TYR HA . 11561 1 326 . 1 1 33 33 TYR HB2 H 1 2.946 0.05 . 2 . . . A 33 TYR HB2 . 11561 1 327 . 1 1 33 33 TYR HB3 H 1 2.676 0.05 . 2 . . . A 33 TYR HB3 . 11561 1 328 . 1 1 33 33 TYR HD2 H 1 6.593 0.05 . 3 . . . A 33 TYR HD2 . 11561 1 329 . 1 1 33 33 TYR HE2 H 1 6.404 0.05 . 3 . . . A 33 TYR HE2 . 11561 1 330 . 1 1 33 33 TYR C C 13 169.542 0.05 . 1 . . . A 33 TYR C . 11561 1 331 . 1 1 33 33 TYR CA C 13 55.22 0.05 . 1 . . . A 33 TYR CA . 11561 1 332 . 1 1 33 33 TYR CB C 13 41.903 0.05 . 1 . . . A 33 TYR CB . 11561 1 333 . 1 1 33 33 TYR CD2 C 13 133.232 0.05 . 3 . . . A 33 TYR CD2 . 11561 1 334 . 1 1 33 33 TYR CE2 C 13 117.289 0.05 . 3 . . . A 33 TYR CE2 . 11561 1 335 . 1 1 34 34 ALA HA H 1 4.23 0.05 . 1 . . . A 34 ALA HA . 11561 1 336 . 1 1 34 34 ALA HB1 H 1 -0.545 0.05 . 1 . . . A 34 ALA HB1 . 11561 1 337 . 1 1 34 34 ALA HB2 H 1 -0.545 0.05 . 1 . . . A 34 ALA HB2 . 11561 1 338 . 1 1 34 34 ALA HB3 H 1 -0.545 0.05 . 1 . . . A 34 ALA HB3 . 11561 1 339 . 1 1 34 34 ALA CA C 13 48.012 0.05 . 1 . . . A 34 ALA CA . 11561 1 340 . 1 1 34 34 ALA CB C 13 20.749 0.05 . 1 . . . A 34 ALA CB . 11561 1 341 . 1 1 35 35 PRO HA H 1 4.34 0.05 . 1 . . . A 35 PRO HA . 11561 1 342 . 1 1 35 35 PRO HB2 H 1 2.015 0.05 . 2 . . . A 35 PRO HB2 . 11561 1 343 . 1 1 35 35 PRO HB3 H 1 2.398 0.05 . 2 . . . A 35 PRO HB3 . 11561 1 344 . 1 1 35 35 PRO HG2 H 1 2.042 0.05 . 2 . . . A 35 PRO HG2 . 11561 1 345 . 1 1 35 35 PRO HD2 H 1 3.12 0.05 . 2 . . . A 35 PRO HD2 . 11561 1 346 . 1 1 35 35 PRO HD3 H 1 3.553 0.05 . 2 . . . A 35 PRO HD3 . 11561 1 347 . 1 1 35 35 PRO CA C 13 64.77 0.05 . 1 . . . A 35 PRO CA . 11561 1 348 . 1 1 35 35 PRO CB C 13 31.816 0.05 . 1 . . . A 35 PRO CB . 11561 1 349 . 1 1 35 35 PRO CG C 13 51.028 0.05 . 1 . . . A 35 PRO CG . 11561 1 350 . 1 1 36 36 TRP HA H 1 4.705 0.05 . 1 . . . A 36 TRP HA . 11561 1 351 . 1 1 36 36 TRP HB2 H 1 3.644 0.05 . 2 . . . A 36 TRP HB2 . 11561 1 352 . 1 1 36 36 TRP HB3 H 1 3.251 0.05 . 2 . . . A 36 TRP HB3 . 11561 1 353 . 1 1 36 36 TRP HE1 H 1 10.411 0.05 . 1 . . . A 36 TRP HE1 . 11561 1 354 . 1 1 36 36 TRP HE3 H 1 7.289 0.05 . 1 . . . A 36 TRP HE3 . 11561 1 355 . 1 1 36 36 TRP HZ2 H 1 7.545 0.05 . 1 . . . A 36 TRP HZ2 . 11561 1 356 . 1 1 36 36 TRP HZ3 H 1 7.465 0.05 . 1 . . . A 36 TRP HZ3 . 11561 1 357 . 1 1 36 36 TRP HH2 H 1 7.407 0.05 . 1 . . . A 36 TRP HH2 . 11561 1 358 . 1 1 36 36 TRP C C 13 178.208 0.05 . 1 . . . A 36 TRP C . 11561 1 359 . 1 1 36 36 TRP CB C 13 28.234 0.05 . 1 . . . A 36 TRP CB . 11561 1 360 . 1 1 36 36 TRP CE3 C 13 122.494 0.05 . 1 . . . A 36 TRP CE3 . 11561 1 361 . 1 1 36 36 TRP CZ2 C 13 115.063 0.05 . 1 . . . A 36 TRP CZ2 . 11561 1 362 . 1 1 36 36 TRP CZ3 C 13 120.709 0.05 . 1 . . . A 36 TRP CZ3 . 11561 1 363 . 1 1 36 36 TRP CH2 C 13 125.792 0.05 . 1 . . . A 36 TRP CH2 . 11561 1 364 . 1 1 36 36 TRP NE1 N 15 131.026 0.05 . 1 . . . A 36 TRP NE1 . 11561 1 365 . 1 1 37 37 CYS H H 1 8.684 0.05 . 1 . . . A 37 CYS H . 11561 1 366 . 1 1 37 37 CYS HA H 1 4.352 0.05 . 1 . . . A 37 CYS HA . 11561 1 367 . 1 1 37 37 CYS HB2 H 1 3.266 0.05 . 2 . . . A 37 CYS HB2 . 11561 1 368 . 1 1 37 37 CYS HB3 H 1 3.549 0.05 . 2 . . . A 37 CYS HB3 . 11561 1 369 . 1 1 37 37 CYS C C 13 176.409 0.05 . 1 . . . A 37 CYS C . 11561 1 370 . 1 1 37 37 CYS CA C 13 61.828 0.05 . 1 . . . A 37 CYS CA . 11561 1 371 . 1 1 37 37 CYS CB C 13 44.865 0.05 . 1 . . . A 37 CYS CB . 11561 1 372 . 1 1 37 37 CYS N N 15 116.481 0.05 . 1 . . . A 37 CYS N . 11561 1 373 . 1 1 38 38 GLY H H 1 6.076 0.05 . 1 . . . A 38 GLY H . 11561 1 374 . 1 1 38 38 GLY HA2 H 1 4.179 0.05 . 2 . . . A 38 GLY HA2 . 11561 1 375 . 1 1 38 38 GLY HA3 H 1 3.92 0.05 . 2 . . . A 38 GLY HA3 . 11561 1 376 . 1 1 38 38 GLY CA C 13 48.205 0.05 . 1 . . . A 38 GLY CA . 11561 1 377 . 1 1 38 38 GLY N N 15 116.999 0.05 . 1 . . . A 38 GLY N . 11561 1 378 . 1 1 39 39 HIS HA H 1 4.668 0.05 . 1 . . . A 39 HIS HA . 11561 1 379 . 1 1 39 39 HIS HB2 H 1 3.154 0.05 . 2 . . . A 39 HIS HB2 . 11561 1 380 . 1 1 39 39 HIS HB3 H 1 3.11 0.05 . 2 . . . A 39 HIS HB3 . 11561 1 381 . 1 1 39 39 HIS HD2 H 1 7.217 0.05 . 1 . . . A 39 HIS HD2 . 11561 1 382 . 1 1 39 39 HIS HE1 H 1 7.883 0.05 . 1 . . . A 39 HIS HE1 . 11561 1 383 . 1 1 39 39 HIS CA C 13 58.67 0.05 . 1 . . . A 39 HIS CA . 11561 1 384 . 1 1 39 39 HIS CB C 13 30.842 0.05 . 1 . . . A 39 HIS CB . 11561 1 385 . 1 1 39 39 HIS CD2 C 13 118.802 0.05 . 1 . . . A 39 HIS CD2 . 11561 1 386 . 1 1 39 39 HIS CE1 C 13 139.219 0.05 . 1 . . . A 39 HIS CE1 . 11561 1 387 . 1 1 40 40 CYS HA H 1 4.26 0.05 . 1 . . . A 40 CYS HA . 11561 1 388 . 1 1 40 40 CYS HB2 H 1 2.976 0.05 . 2 . . . A 40 CYS HB2 . 11561 1 389 . 1 1 40 40 CYS HB3 H 1 4.177 0.05 . 2 . . . A 40 CYS HB3 . 11561 1 390 . 1 1 40 40 CYS CA C 13 63.571 0.05 . 1 . . . A 40 CYS CA . 11561 1 391 . 1 1 40 40 CYS CB C 13 33.644 0.05 . 1 . . . A 40 CYS CB . 11561 1 392 . 1 1 41 41 LYS H H 1 8.024 0.05 . 1 . . . A 41 LYS H . 11561 1 393 . 1 1 41 41 LYS HA H 1 4.09 0.05 . 1 . . . A 41 LYS HA . 11561 1 394 . 1 1 41 41 LYS HB2 H 1 1.486 0.05 . 2 . . . A 41 LYS HB2 . 11561 1 395 . 1 1 41 41 LYS HB3 H 1 2.044 0.05 . 2 . . . A 41 LYS HB3 . 11561 1 396 . 1 1 41 41 LYS HG2 H 1 1.598 0.05 . 2 . . . A 41 LYS HG2 . 11561 1 397 . 1 1 41 41 LYS HG3 H 1 1.421 0.05 . 2 . . . A 41 LYS HG3 . 11561 1 398 . 1 1 41 41 LYS C C 13 178.638 0.05 . 1 . . . A 41 LYS C . 11561 1 399 . 1 1 41 41 LYS CA C 13 59.647 0.05 . 1 . . . A 41 LYS CA . 11561 1 400 . 1 1 41 41 LYS CG C 13 24.888 0.05 . 1 . . . A 41 LYS CG . 11561 1 401 . 1 1 41 41 LYS N N 15 123.914 0.05 . 1 . . . A 41 LYS N . 11561 1 402 . 1 1 42 42 ALA H H 1 7.624 0.05 . 1 . . . A 42 ALA H . 11561 1 403 . 1 1 42 42 ALA HA H 1 4.221 0.05 . 1 . . . A 42 ALA HA . 11561 1 404 . 1 1 42 42 ALA HB1 H 1 1.562 0.05 . 1 . . . A 42 ALA HB1 . 11561 1 405 . 1 1 42 42 ALA HB2 H 1 1.562 0.05 . 1 . . . A 42 ALA HB2 . 11561 1 406 . 1 1 42 42 ALA HB3 H 1 1.562 0.05 . 1 . . . A 42 ALA HB3 . 11561 1 407 . 1 1 42 42 ALA C C 13 179.026 0.05 . 1 . . . A 42 ALA C . 11561 1 408 . 1 1 42 42 ALA CA C 13 54.238 0.05 . 1 . . . A 42 ALA CA . 11561 1 409 . 1 1 42 42 ALA CB C 13 18.39 0.05 . 1 . . . A 42 ALA CB . 11561 1 410 . 1 1 42 42 ALA N N 15 119.935 0.05 . 1 . . . A 42 ALA N . 11561 1 411 . 1 1 43 43 LEU H H 1 7.274 0.05 . 1 . . . A 43 LEU H . 11561 1 412 . 1 1 43 43 LEU HA H 1 4.352 0.05 . 1 . . . A 43 LEU HA . 11561 1 413 . 1 1 43 43 LEU HB2 H 1 1.681 0.05 . 2 . . . A 43 LEU HB2 . 11561 1 414 . 1 1 43 43 LEU HB3 H 1 1.79 0.05 . 2 . . . A 43 LEU HB3 . 11561 1 415 . 1 1 43 43 LEU HG H 1 0.753 0.05 . 1 . . . A 43 LEU HG . 11561 1 416 . 1 1 43 43 LEU HD11 H 1 1.012 0.05 . 2 . . . A 43 LEU HD11 . 11561 1 417 . 1 1 43 43 LEU HD12 H 1 1.012 0.05 . 2 . . . A 43 LEU HD12 . 11561 1 418 . 1 1 43 43 LEU HD13 H 1 1.012 0.05 . 2 . . . A 43 LEU HD13 . 11561 1 419 . 1 1 43 43 LEU HD21 H 1 0.829 0.05 . 2 . . . A 43 LEU HD21 . 11561 1 420 . 1 1 43 43 LEU HD22 H 1 0.829 0.05 . 2 . . . A 43 LEU HD22 . 11561 1 421 . 1 1 43 43 LEU HD23 H 1 0.829 0.05 . 2 . . . A 43 LEU HD23 . 11561 1 422 . 1 1 43 43 LEU C C 13 177.257 0.05 . 1 . . . A 43 LEU C . 11561 1 423 . 1 1 43 43 LEU CA C 13 55.58 0.05 . 1 . . . A 43 LEU CA . 11561 1 424 . 1 1 43 43 LEU CB C 13 43.007 0.05 . 1 . . . A 43 LEU CB . 11561 1 425 . 1 1 43 43 LEU CG C 13 26.373 0.05 . 1 . . . A 43 LEU CG . 11561 1 426 . 1 1 43 43 LEU CD1 C 13 23.316 0.05 . 2 . . . A 43 LEU CD1 . 11561 1 427 . 1 1 43 43 LEU CD2 C 13 23.017 0.05 . 2 . . . A 43 LEU CD2 . 11561 1 428 . 1 1 43 43 LEU N N 15 116.028 0.05 . 1 . . . A 43 LEU N . 11561 1 429 . 1 1 44 44 ALA H H 1 7.333 0.05 . 1 . . . A 44 ALA H . 11561 1 430 . 1 1 44 44 ALA HA H 1 4.192 0.05 . 1 . . . A 44 ALA HA . 11561 1 431 . 1 1 44 44 ALA HB1 H 1 1.468 0.05 . 1 . . . A 44 ALA HB1 . 11561 1 432 . 1 1 44 44 ALA HB2 H 1 1.468 0.05 . 1 . . . A 44 ALA HB2 . 11561 1 433 . 1 1 44 44 ALA HB3 H 1 1.468 0.05 . 1 . . . A 44 ALA HB3 . 11561 1 434 . 1 1 44 44 ALA C C 13 176.142 0.05 . 1 . . . A 44 ALA C . 11561 1 435 . 1 1 44 44 ALA CA C 13 57.53 0.05 . 1 . . . A 44 ALA CA . 11561 1 436 . 1 1 44 44 ALA CB C 13 15.509 0.05 . 1 . . . A 44 ALA CB . 11561 1 437 . 1 1 44 44 ALA N N 15 121.093 0.05 . 1 . . . A 44 ALA N . 11561 1 438 . 1 1 45 45 PRO HA H 1 4.453 0.05 . 1 . . . A 45 PRO HA . 11561 1 439 . 1 1 45 45 PRO HB2 H 1 1.936 0.05 . 2 . . . A 45 PRO HB2 . 11561 1 440 . 1 1 45 45 PRO HB3 H 1 2.386 0.05 . 2 . . . A 45 PRO HB3 . 11561 1 441 . 1 1 45 45 PRO HG2 H 1 2.06 0.05 . 2 . . . A 45 PRO HG2 . 11561 1 442 . 1 1 45 45 PRO HD2 H 1 3.866 0.05 . 2 . . . A 45 PRO HD2 . 11561 1 443 . 1 1 45 45 PRO HD3 H 1 3.738 0.05 . 2 . . . A 45 PRO HD3 . 11561 1 444 . 1 1 45 45 PRO C C 13 180.325 0.05 . 1 . . . A 45 PRO C . 11561 1 445 . 1 1 45 45 PRO CA C 13 65.95 0.05 . 1 . . . A 45 PRO CA . 11561 1 446 . 1 1 45 45 PRO CB C 13 31.064 0.05 . 1 . . . A 45 PRO CB . 11561 1 447 . 1 1 45 45 PRO CG C 13 27.694 0.05 . 1 . . . A 45 PRO CG . 11561 1 448 . 1 1 45 45 PRO CD C 13 50.043 0.05 . 1 . . . A 45 PRO CD . 11561 1 449 . 1 1 46 46 LYS H H 1 7.157 0.05 . 1 . . . A 46 LYS H . 11561 1 450 . 1 1 46 46 LYS HA H 1 4.213 0.05 . 1 . . . A 46 LYS HA . 11561 1 451 . 1 1 46 46 LYS HB2 H 1 1.763 0.05 . 2 . . . A 46 LYS HB2 . 11561 1 452 . 1 1 46 46 LYS HB3 H 1 2.155 0.05 . 2 . . . A 46 LYS HB3 . 11561 1 453 . 1 1 46 46 LYS HG2 H 1 1.703 0.05 . 2 . . . A 46 LYS HG2 . 11561 1 454 . 1 1 46 46 LYS HG3 H 1 1.625 0.05 . 2 . . . A 46 LYS HG3 . 11561 1 455 . 1 1 46 46 LYS C C 13 177.216 0.05 . 1 . . . A 46 LYS C . 11561 1 456 . 1 1 46 46 LYS CA C 13 58.06 0.05 . 1 . . . A 46 LYS CA . 11561 1 457 . 1 1 46 46 LYS CB C 13 31.926 0.05 . 1 . . . A 46 LYS CB . 11561 1 458 . 1 1 46 46 LYS CG C 13 25.585 0.05 . 1 . . . A 46 LYS CG . 11561 1 459 . 1 1 46 46 LYS N N 15 118.223 0.05 . 1 . . . A 46 LYS N . 11561 1 460 . 1 1 47 47 TYR H H 1 8.492 0.05 . 1 . . . A 47 TYR H . 11561 1 461 . 1 1 47 47 TYR HA H 1 4.732 0.05 . 1 . . . A 47 TYR HA . 11561 1 462 . 1 1 47 47 TYR HB2 H 1 2.494 0.05 . 2 . . . A 47 TYR HB2 . 11561 1 463 . 1 1 47 47 TYR HB3 H 1 2.622 0.05 . 2 . . . A 47 TYR HB3 . 11561 1 464 . 1 1 47 47 TYR HD1 H 1 6.336 0.05 . 3 . . . A 47 TYR HD1 . 11561 1 465 . 1 1 47 47 TYR HD2 H 1 6.681 0.05 . 3 . . . A 47 TYR HD2 . 11561 1 466 . 1 1 47 47 TYR C C 13 175.004 0.05 . 1 . . . A 47 TYR C . 11561 1 467 . 1 1 47 47 TYR CA C 13 52.099 0.05 . 1 . . . A 47 TYR CA . 11561 1 468 . 1 1 47 47 TYR CB C 13 40.216 0.05 . 1 . . . A 47 TYR CB . 11561 1 469 . 1 1 47 47 TYR CD2 C 13 131.635 0.05 . 3 . . . A 47 TYR CD2 . 11561 1 470 . 1 1 47 47 TYR CE2 C 13 117.891 0.05 . 3 . . . A 47 TYR CE2 . 11561 1 471 . 1 1 47 47 TYR N N 15 123.662 0.05 . 1 . . . A 47 TYR N . 11561 1 472 . 1 1 48 48 GLU H H 1 8.023 0.05 . 1 . . . A 48 GLU H . 11561 1 473 . 1 1 48 48 GLU HA H 1 4.44 0.05 . 1 . . . A 48 GLU HA . 11561 1 474 . 1 1 48 48 GLU HB2 H 1 2.095 0.05 . 2 . . . A 48 GLU HB2 . 11561 1 475 . 1 1 48 48 GLU HB3 H 1 1.871 0.05 . 2 . . . A 48 GLU HB3 . 11561 1 476 . 1 1 48 48 GLU HG3 H 1 2.34 0.05 . 2 . . . A 48 GLU HG3 . 11561 1 477 . 1 1 48 48 GLU C C 13 178.898 0.05 . 1 . . . A 48 GLU C . 11561 1 478 . 1 1 48 48 GLU CA C 13 57.539 0.05 . 1 . . . A 48 GLU CA . 11561 1 479 . 1 1 48 48 GLU CB C 13 28.502 0.05 . 1 . . . A 48 GLU CB . 11561 1 480 . 1 1 48 48 GLU N N 15 116.606 0.05 . 1 . . . A 48 GLU N . 11561 1 481 . 1 1 49 49 GLU H H 1 7.501 0.05 . 1 . . . A 49 GLU H . 11561 1 482 . 1 1 49 49 GLU HA H 1 3.999 0.05 . 1 . . . A 49 GLU HA . 11561 1 483 . 1 1 49 49 GLU HB2 H 1 2.27 0.05 . 2 . . . A 49 GLU HB2 . 11561 1 484 . 1 1 49 49 GLU HB3 H 1 2.196 0.05 . 2 . . . A 49 GLU HB3 . 11561 1 485 . 1 1 49 49 GLU HG3 H 1 2.469 0.19 . 2 . . . A 49 GLU HG3 . 11561 1 486 . 1 1 49 49 GLU C C 13 178.677 0.05 . 1 . . . A 49 GLU C . 11561 1 487 . 1 1 49 49 GLU CA C 13 59.623 0.05 . 1 . . . A 49 GLU CA . 11561 1 488 . 1 1 49 49 GLU CB C 13 29.256 0.05 . 1 . . . A 49 GLU CB . 11561 1 489 . 1 1 49 49 GLU CG C 13 36.186 0.05 . 1 . . . A 49 GLU CG . 11561 1 490 . 1 1 49 49 GLU N N 15 121.179 0.05 . 1 . . . A 49 GLU N . 11561 1 491 . 1 1 50 50 LEU H H 1 8.028 0.05 . 1 . . . A 50 LEU H . 11561 1 492 . 1 1 50 50 LEU HA H 1 3.981 0.05 . 1 . . . A 50 LEU HA . 11561 1 493 . 1 1 50 50 LEU HB2 H 1 2.161 0.05 . 2 . . . A 50 LEU HB2 . 11561 1 494 . 1 1 50 50 LEU HB3 H 1 1.378 0.05 . 2 . . . A 50 LEU HB3 . 11561 1 495 . 1 1 50 50 LEU HG H 1 1.663 0.05 . 1 . . . A 50 LEU HG . 11561 1 496 . 1 1 50 50 LEU HD11 H 1 1.124 0.05 . 2 . . . A 50 LEU HD11 . 11561 1 497 . 1 1 50 50 LEU HD12 H 1 1.124 0.05 . 2 . . . A 50 LEU HD12 . 11561 1 498 . 1 1 50 50 LEU HD13 H 1 1.124 0.05 . 2 . . . A 50 LEU HD13 . 11561 1 499 . 1 1 50 50 LEU HD21 H 1 0.674 0.05 . 2 . . . A 50 LEU HD21 . 11561 1 500 . 1 1 50 50 LEU HD22 H 1 0.674 0.05 . 2 . . . A 50 LEU HD22 . 11561 1 501 . 1 1 50 50 LEU HD23 H 1 0.674 0.05 . 2 . . . A 50 LEU HD23 . 11561 1 502 . 1 1 50 50 LEU C C 13 178.187 0.05 . 1 . . . A 50 LEU C . 11561 1 503 . 1 1 50 50 LEU CA C 13 58.006 0.05 . 1 . . . A 50 LEU CA . 11561 1 504 . 1 1 50 50 LEU CB C 13 42.423 0.05 . 1 . . . A 50 LEU CB . 11561 1 505 . 1 1 50 50 LEU CG C 13 28.786 0.05 . 1 . . . A 50 LEU CG . 11561 1 506 . 1 1 50 50 LEU CD2 C 13 23.788 0.05 . 2 . . . A 50 LEU CD2 . 11561 1 507 . 1 1 50 50 LEU N N 15 121.215 0.05 . 1 . . . A 50 LEU N . 11561 1 508 . 1 1 51 51 GLY H H 1 8.121 0.05 . 1 . . . A 51 GLY H . 11561 1 509 . 1 1 51 51 GLY HA2 H 1 3.717 0.05 . 2 . . . A 51 GLY HA2 . 11561 1 510 . 1 1 51 51 GLY HA3 H 1 3.457 0.05 . 2 . . . A 51 GLY HA3 . 11561 1 511 . 1 1 51 51 GLY C C 13 175.962 0.05 . 1 . . . A 51 GLY C . 11561 1 512 . 1 1 51 51 GLY CA C 13 47.231 0.05 . 1 . . . A 51 GLY CA . 11561 1 513 . 1 1 51 51 GLY N N 15 104.299 0.05 . 1 . . . A 51 GLY N . 11561 1 514 . 1 1 52 52 ALA H H 1 8.531 0.05 . 1 . . . A 52 ALA H . 11561 1 515 . 1 1 52 52 ALA HA H 1 4.038 0.05 . 1 . . . A 52 ALA HA . 11561 1 516 . 1 1 52 52 ALA HB1 H 1 1.514 0.05 . 1 . . . A 52 ALA HB1 . 11561 1 517 . 1 1 52 52 ALA HB2 H 1 1.514 0.05 . 1 . . . A 52 ALA HB2 . 11561 1 518 . 1 1 52 52 ALA HB3 H 1 1.514 0.05 . 1 . . . A 52 ALA HB3 . 11561 1 519 . 1 1 52 52 ALA C C 13 179.931 0.05 . 1 . . . A 52 ALA C . 11561 1 520 . 1 1 52 52 ALA CA C 13 54.955 0.05 . 1 . . . A 52 ALA CA . 11561 1 521 . 1 1 52 52 ALA CB C 13 18.14 0.05 . 1 . . . A 52 ALA CB . 11561 1 522 . 1 1 52 52 ALA N N 15 125.646 0.05 . 1 . . . A 52 ALA N . 11561 1 523 . 1 1 53 53 LEU H H 1 8.206 0.05 . 1 . . . A 53 LEU H . 11561 1 524 . 1 1 53 53 LEU HA H 1 3.964 0.05 . 1 . . . A 53 LEU HA . 11561 1 525 . 1 1 53 53 LEU HB2 H 1 1.853 0.05 . 2 . . . A 53 LEU HB2 . 11561 1 526 . 1 1 53 53 LEU HB3 H 1 1.525 0.05 . 2 . . . A 53 LEU HB3 . 11561 1 527 . 1 1 53 53 LEU HG H 1 1.674 0.05 . 1 . . . A 53 LEU HG . 11561 1 528 . 1 1 53 53 LEU HD21 H 1 0.75 0.05 . 2 . . . A 53 LEU HD21 . 11561 1 529 . 1 1 53 53 LEU HD22 H 1 0.75 0.05 . 2 . . . A 53 LEU HD22 . 11561 1 530 . 1 1 53 53 LEU HD23 H 1 0.75 0.05 . 2 . . . A 53 LEU HD23 . 11561 1 531 . 1 1 53 53 LEU C C 13 180.798 0.05 . 1 . . . A 53 LEU C . 11561 1 532 . 1 1 53 53 LEU CA C 13 58.153 0.05 . 1 . . . A 53 LEU CA . 11561 1 533 . 1 1 53 53 LEU CB C 13 41.57 0.05 . 1 . . . A 53 LEU CB . 11561 1 534 . 1 1 53 53 LEU CG C 13 27.08 0.05 . 1 . . . A 53 LEU CG . 11561 1 535 . 1 1 53 53 LEU CD2 C 13 25.826 0.05 . 2 . . . A 53 LEU CD2 . 11561 1 536 . 1 1 53 53 LEU N N 15 119.87 0.05 . 1 . . . A 53 LEU N . 11561 1 537 . 1 1 54 54 TYR H H 1 7.804 0.05 . 1 . . . A 54 TYR H . 11561 1 538 . 1 1 54 54 TYR HA H 1 4.045 0.05 . 1 . . . A 54 TYR HA . 11561 1 539 . 1 1 54 54 TYR HB2 H 1 2.681 0.05 . 2 . . . A 54 TYR HB2 . 11561 1 540 . 1 1 54 54 TYR HB3 H 1 2.965 0.05 . 2 . . . A 54 TYR HB3 . 11561 1 541 . 1 1 54 54 TYR HD2 H 1 6.991 0.05 . 3 . . . A 54 TYR HD2 . 11561 1 542 . 1 1 54 54 TYR HE2 H 1 6.452 0.05 . 3 . . . A 54 TYR HE2 . 11561 1 543 . 1 1 54 54 TYR C C 13 179.483 0.05 . 1 . . . A 54 TYR C . 11561 1 544 . 1 1 54 54 TYR CA C 13 63.796 0.05 . 1 . . . A 54 TYR CA . 11561 1 545 . 1 1 54 54 TYR CB C 13 37.765 0.05 . 1 . . . A 54 TYR CB . 11561 1 546 . 1 1 54 54 TYR CD2 C 13 132.043 0.05 . 3 . . . A 54 TYR CD2 . 11561 1 547 . 1 1 54 54 TYR CE2 C 13 117.727 0.05 . 3 . . . A 54 TYR CE2 . 11561 1 548 . 1 1 54 54 TYR N N 15 116.998 0.05 . 1 . . . A 54 TYR N . 11561 1 549 . 1 1 55 55 ALA H H 1 8.163 0.05 . 1 . . . A 55 ALA H . 11561 1 550 . 1 1 55 55 ALA HA H 1 4.339 0.05 . 1 . . . A 55 ALA HA . 11561 1 551 . 1 1 55 55 ALA HB1 H 1 1.585 0.05 . 1 . . . A 55 ALA HB1 . 11561 1 552 . 1 1 55 55 ALA HB2 H 1 1.585 0.05 . 1 . . . A 55 ALA HB2 . 11561 1 553 . 1 1 55 55 ALA HB3 H 1 1.585 0.05 . 1 . . . A 55 ALA HB3 . 11561 1 554 . 1 1 55 55 ALA C C 13 177.877 0.05 . 1 . . . A 55 ALA C . 11561 1 555 . 1 1 55 55 ALA CA C 13 54.622 0.05 . 1 . . . A 55 ALA CA . 11561 1 556 . 1 1 55 55 ALA CB C 13 18.344 0.05 . 1 . . . A 55 ALA CB . 11561 1 557 . 1 1 55 55 ALA N N 15 121.95 0.05 . 1 . . . A 55 ALA N . 11561 1 558 . 1 1 56 56 LYS H H 1 7.13 0.05 . 1 . . . A 56 LYS H . 11561 1 559 . 1 1 56 56 LYS HA H 1 4.572 0.05 . 1 . . . A 56 LYS HA . 11561 1 560 . 1 1 56 56 LYS HB2 H 1 1.948 0.05 . 2 . . . A 56 LYS HB2 . 11561 1 561 . 1 1 56 56 LYS HB3 H 1 1.886 0.05 . 2 . . . A 56 LYS HB3 . 11561 1 562 . 1 1 56 56 LYS HG3 H 1 1.573 0.05 . 2 . . . A 56 LYS HG3 . 11561 1 563 . 1 1 56 56 LYS C C 13 175.859 0.05 . 1 . . . A 56 LYS C . 11561 1 564 . 1 1 56 56 LYS CA C 13 55.253 0.05 . 1 . . . A 56 LYS CA . 11561 1 565 . 1 1 56 56 LYS CB C 13 32.941 0.05 . 1 . . . A 56 LYS CB . 11561 1 566 . 1 1 56 56 LYS CG C 13 23.297 0.05 . 1 . . . A 56 LYS CG . 11561 1 567 . 1 1 56 56 LYS N N 15 113.911 0.05 . 1 . . . A 56 LYS N . 11561 1 568 . 1 1 57 57 SER H H 1 7.627 0.05 . 1 . . . A 57 SER H . 11561 1 569 . 1 1 57 57 SER HA H 1 4.677 0.05 . 1 . . . A 57 SER HA . 11561 1 570 . 1 1 57 57 SER HB2 H 1 4.25 0.05 . 2 . . . A 57 SER HB2 . 11561 1 571 . 1 1 57 57 SER HB3 H 1 4.285 0.05 . 2 . . . A 57 SER HB3 . 11561 1 572 . 1 1 57 57 SER C C 13 175.515 0.05 . 1 . . . A 57 SER C . 11561 1 573 . 1 1 57 57 SER CA C 13 55.723 0.05 . 1 . . . A 57 SER CA . 11561 1 574 . 1 1 57 57 SER CB C 13 66.683 0.05 . 1 . . . A 57 SER CB . 11561 1 575 . 1 1 57 57 SER N N 15 117.659 0.05 . 1 . . . A 57 SER N . 11561 1 576 . 1 1 58 58 GLU H H 1 9.295 0.05 . 1 . . . A 58 GLU H . 11561 1 577 . 1 1 58 58 GLU HA H 1 4.189 0.05 . 1 . . . A 58 GLU HA . 11561 1 578 . 1 1 58 58 GLU HB2 H 1 1.668 0.05 . 2 . . . A 58 GLU HB2 . 11561 1 579 . 1 1 58 58 GLU HB3 H 1 1.776 0.05 . 2 . . . A 58 GLU HB3 . 11561 1 580 . 1 1 58 58 GLU C C 13 176.272 0.05 . 1 . . . A 58 GLU C . 11561 1 581 . 1 1 58 58 GLU CA C 13 57.208 0.05 . 1 . . . A 58 GLU CA . 11561 1 582 . 1 1 58 58 GLU CB C 13 29.153 0.05 . 1 . . . A 58 GLU CB . 11561 1 583 . 1 1 58 58 GLU N N 15 119.827 0.05 . 1 . . . A 58 GLU N . 11561 1 584 . 1 1 59 59 PHE H H 1 8.296 0.05 . 1 . . . A 59 PHE H . 11561 1 585 . 1 1 59 59 PHE HA H 1 4.545 0.05 . 1 . . . A 59 PHE HA . 11561 1 586 . 1 1 59 59 PHE HB2 H 1 3.513 0.05 . 2 . . . A 59 PHE HB2 . 11561 1 587 . 1 1 59 59 PHE HB3 H 1 2.859 0.05 . 2 . . . A 59 PHE HB3 . 11561 1 588 . 1 1 59 59 PHE HD2 H 1 7.478 0.05 . 3 . . . A 59 PHE HD2 . 11561 1 589 . 1 1 59 59 PHE HE2 H 1 7.05 0.05 . 3 . . . A 59 PHE HE2 . 11561 1 590 . 1 1 59 59 PHE C C 13 175.543 0.05 . 1 . . . A 59 PHE C . 11561 1 591 . 1 1 59 59 PHE CA C 13 57.817 0.05 . 1 . . . A 59 PHE CA . 11561 1 592 . 1 1 59 59 PHE CB C 13 39.399 0.05 . 1 . . . A 59 PHE CB . 11561 1 593 . 1 1 59 59 PHE CD2 C 13 132.442 0.05 . 3 . . . A 59 PHE CD2 . 11561 1 594 . 1 1 59 59 PHE CE2 C 13 131.278 0.05 . 3 . . . A 59 PHE CE2 . 11561 1 595 . 1 1 59 59 PHE N N 15 117.568 0.05 . 1 . . . A 59 PHE N . 11561 1 596 . 1 1 60 60 LYS H H 1 7.386 0.05 . 1 . . . A 60 LYS H . 11561 1 597 . 1 1 60 60 LYS HA H 1 4.367 0.05 . 1 . . . A 60 LYS HA . 11561 1 598 . 1 1 60 60 LYS HB3 H 1 2.229 0.05 . 2 . . . A 60 LYS HB3 . 11561 1 599 . 1 1 60 60 LYS HG2 H 1 1.363 0.05 . 2 . . . A 60 LYS HG2 . 11561 1 600 . 1 1 60 60 LYS HG3 H 1 1.464 0.05 . 2 . . . A 60 LYS HG3 . 11561 1 601 . 1 1 60 60 LYS C C 13 175.566 0.05 . 1 . . . A 60 LYS C . 11561 1 602 . 1 1 60 60 LYS CA C 13 58.687 0.05 . 1 . . . A 60 LYS CA . 11561 1 603 . 1 1 60 60 LYS CB C 13 31.839 0.05 . 1 . . . A 60 LYS CB . 11561 1 604 . 1 1 60 60 LYS CG C 13 23.038 0.05 . 1 . . . A 60 LYS CG . 11561 1 605 . 1 1 60 60 LYS N N 15 120.94 0.05 . 1 . . . A 60 LYS N . 11561 1 606 . 1 1 61 61 ASP H H 1 8.516 0.05 . 1 . . . A 61 ASP H . 11561 1 607 . 1 1 61 61 ASP HA H 1 4.683 0.05 . 1 . . . A 61 ASP HA . 11561 1 608 . 1 1 61 61 ASP HB3 H 1 2.7 0.05 . 2 . . . A 61 ASP HB3 . 11561 1 609 . 1 1 61 61 ASP C C 13 175.586 0.05 . 1 . . . A 61 ASP C . 11561 1 610 . 1 1 61 61 ASP CA C 13 54.138 0.05 . 1 . . . A 61 ASP CA . 11561 1 611 . 1 1 61 61 ASP CB C 13 42.216 0.05 . 1 . . . A 61 ASP CB . 11561 1 612 . 1 1 61 61 ASP N N 15 117.081 0.05 . 1 . . . A 61 ASP N . 11561 1 613 . 1 1 62 62 ARG H H 1 7.967 0.05 . 1 . . . A 62 ARG H . 11561 1 614 . 1 1 62 62 ARG HA H 1 4.346 0.05 . 1 . . . A 62 ARG HA . 11561 1 615 . 1 1 62 62 ARG HB2 H 1 1.659 0.05 . 2 . . . A 62 ARG HB2 . 11561 1 616 . 1 1 62 62 ARG HB3 H 1 1.489 0.05 . 2 . . . A 62 ARG HB3 . 11561 1 617 . 1 1 62 62 ARG HG2 H 1 1.158 0.05 . 2 . . . A 62 ARG HG2 . 11561 1 618 . 1 1 62 62 ARG HG3 H 1 1.214 0.05 . 2 . . . A 62 ARG HG3 . 11561 1 619 . 1 1 62 62 ARG C C 13 173.324 0.05 . 1 . . . A 62 ARG C . 11561 1 620 . 1 1 62 62 ARG CA C 13 56.522 0.05 . 1 . . . A 62 ARG CA . 11561 1 621 . 1 1 62 62 ARG CB C 13 34.308 0.05 . 1 . . . A 62 ARG CB . 11561 1 622 . 1 1 62 62 ARG CG C 13 26.766 0.05 . 1 . . . A 62 ARG CG . 11561 1 623 . 1 1 62 62 ARG N N 15 118.875 0.05 . 1 . . . A 62 ARG N . 11561 1 624 . 1 1 63 63 VAL H H 1 7.332 0.05 . 1 . . . A 63 VAL H . 11561 1 625 . 1 1 63 63 VAL HA H 1 5.139 0.05 . 1 . . . A 63 VAL HA . 11561 1 626 . 1 1 63 63 VAL HB H 1 1.545 0.05 . 1 . . . A 63 VAL HB . 11561 1 627 . 1 1 63 63 VAL HG11 H 1 0.14 0.05 . 2 . . . A 63 VAL HG11 . 11561 1 628 . 1 1 63 63 VAL HG12 H 1 0.14 0.05 . 2 . . . A 63 VAL HG12 . 11561 1 629 . 1 1 63 63 VAL HG13 H 1 0.14 0.05 . 2 . . . A 63 VAL HG13 . 11561 1 630 . 1 1 63 63 VAL HG21 H 1 0.837 0.05 . 2 . . . A 63 VAL HG21 . 11561 1 631 . 1 1 63 63 VAL HG22 H 1 0.837 0.05 . 2 . . . A 63 VAL HG22 . 11561 1 632 . 1 1 63 63 VAL HG23 H 1 0.837 0.05 . 2 . . . A 63 VAL HG23 . 11561 1 633 . 1 1 63 63 VAL C C 13 174.664 0.05 . 1 . . . A 63 VAL C . 11561 1 634 . 1 1 63 63 VAL CA C 13 60.403 0.05 . 1 . . . A 63 VAL CA . 11561 1 635 . 1 1 63 63 VAL CB C 13 35.237 0.05 . 1 . . . A 63 VAL CB . 11561 1 636 . 1 1 63 63 VAL CG1 C 13 20.282 0.05 . 2 . . . A 63 VAL CG1 . 11561 1 637 . 1 1 63 63 VAL CG2 C 13 21.841 0.05 . 2 . . . A 63 VAL CG2 . 11561 1 638 . 1 1 63 63 VAL N N 15 118.943 0.05 . 1 . . . A 63 VAL N . 11561 1 639 . 1 1 64 64 VAL H H 1 8.607 0.05 . 1 . . . A 64 VAL H . 11561 1 640 . 1 1 64 64 VAL HA H 1 4.164 0.05 . 1 . . . A 64 VAL HA . 11561 1 641 . 1 1 64 64 VAL HB H 1 1.829 0.05 . 1 . . . A 64 VAL HB . 11561 1 642 . 1 1 64 64 VAL HG11 H 1 0.821 0.05 . 2 . . . A 64 VAL HG11 . 11561 1 643 . 1 1 64 64 VAL HG12 H 1 0.821 0.05 . 2 . . . A 64 VAL HG12 . 11561 1 644 . 1 1 64 64 VAL HG13 H 1 0.821 0.05 . 2 . . . A 64 VAL HG13 . 11561 1 645 . 1 1 64 64 VAL HG21 H 1 0.695 0.05 . 2 . . . A 64 VAL HG21 . 11561 1 646 . 1 1 64 64 VAL HG22 H 1 0.695 0.05 . 2 . . . A 64 VAL HG22 . 11561 1 647 . 1 1 64 64 VAL HG23 H 1 0.695 0.05 . 2 . . . A 64 VAL HG23 . 11561 1 648 . 1 1 64 64 VAL C C 13 172.878 0.05 . 1 . . . A 64 VAL C . 11561 1 649 . 1 1 64 64 VAL CA C 13 60.746 0.05 . 1 . . . A 64 VAL CA . 11561 1 650 . 1 1 64 64 VAL CB C 13 35.435 0.05 . 1 . . . A 64 VAL CB . 11561 1 651 . 1 1 64 64 VAL CG1 C 13 20.6 0.05 . 2 . . . A 64 VAL CG1 . 11561 1 652 . 1 1 64 64 VAL CG2 C 13 22.275 0.05 . 2 . . . A 64 VAL CG2 . 11561 1 653 . 1 1 64 64 VAL N N 15 127.652 0.05 . 1 . . . A 64 VAL N . 11561 1 654 . 1 1 65 65 ILE H H 1 8.659 0.05 . 1 . . . A 65 ILE H . 11561 1 655 . 1 1 65 65 ILE HA H 1 4.501 0.05 . 1 . . . A 65 ILE HA . 11561 1 656 . 1 1 65 65 ILE HB H 1 2.173 0.05 . 1 . . . A 65 ILE HB . 11561 1 657 . 1 1 65 65 ILE HG12 H 1 1.033 0.05 . 2 . . . A 65 ILE HG12 . 11561 1 658 . 1 1 65 65 ILE HG13 H 1 1.555 0.05 . 2 . . . A 65 ILE HG13 . 11561 1 659 . 1 1 65 65 ILE HG21 H 1 0.37 0.05 . 1 . . . A 65 ILE HG21 . 11561 1 660 . 1 1 65 65 ILE HG22 H 1 0.37 0.05 . 1 . . . A 65 ILE HG22 . 11561 1 661 . 1 1 65 65 ILE HG23 H 1 0.37 0.05 . 1 . . . A 65 ILE HG23 . 11561 1 662 . 1 1 65 65 ILE HD11 H 1 0.366 0.05 . 1 . . . A 65 ILE HD11 . 11561 1 663 . 1 1 65 65 ILE HD12 H 1 0.366 0.05 . 1 . . . A 65 ILE HD12 . 11561 1 664 . 1 1 65 65 ILE HD13 H 1 0.366 0.05 . 1 . . . A 65 ILE HD13 . 11561 1 665 . 1 1 65 65 ILE C C 13 174.222 0.05 . 1 . . . A 65 ILE C . 11561 1 666 . 1 1 65 65 ILE CA C 13 58.319 0.05 . 1 . . . A 65 ILE CA . 11561 1 667 . 1 1 65 65 ILE CB C 13 35.364 0.05 . 1 . . . A 65 ILE CB . 11561 1 668 . 1 1 65 65 ILE CG1 C 13 26.935 0.05 . 1 . . . A 65 ILE CG1 . 11561 1 669 . 1 1 65 65 ILE CG2 C 13 17.918 0.05 . 1 . . . A 65 ILE CG2 . 11561 1 670 . 1 1 65 65 ILE CD1 C 13 10.024 0.05 . 1 . . . A 65 ILE CD1 . 11561 1 671 . 1 1 65 65 ILE N N 15 128.44 0.05 . 1 . . . A 65 ILE N . 11561 1 672 . 1 1 66 66 ALA H H 1 9.524 0.05 . 1 . . . A 66 ALA H . 11561 1 673 . 1 1 66 66 ALA HA H 1 5.952 0.05 . 1 . . . A 66 ALA HA . 11561 1 674 . 1 1 66 66 ALA HB1 H 1 1.134 0.05 . 1 . . . A 66 ALA HB1 . 11561 1 675 . 1 1 66 66 ALA HB2 H 1 1.134 0.05 . 1 . . . A 66 ALA HB2 . 11561 1 676 . 1 1 66 66 ALA HB3 H 1 1.134 0.05 . 1 . . . A 66 ALA HB3 . 11561 1 677 . 1 1 66 66 ALA C C 13 176.877 0.05 . 1 . . . A 66 ALA C . 11561 1 678 . 1 1 66 66 ALA CA C 13 50.295 0.05 . 1 . . . A 66 ALA CA . 11561 1 679 . 1 1 66 66 ALA CB C 13 23.366 0.05 . 1 . . . A 66 ALA CB . 11561 1 680 . 1 1 66 66 ALA N N 15 127.567 0.05 . 1 . . . A 66 ALA N . 11561 1 681 . 1 1 67 67 LYS H H 1 8.969 0.05 . 1 . . . A 67 LYS H . 11561 1 682 . 1 1 67 67 LYS HA H 1 5.564 0.05 . 1 . . . A 67 LYS HA . 11561 1 683 . 1 1 67 67 LYS HB2 H 1 1.884 0.05 . 2 . . . A 67 LYS HB2 . 11561 1 684 . 1 1 67 67 LYS HB3 H 1 1.674 0.05 . 2 . . . A 67 LYS HB3 . 11561 1 685 . 1 1 67 67 LYS HG3 H 1 1.329 0.05 . 2 . . . A 67 LYS HG3 . 11561 1 686 . 1 1 67 67 LYS C C 13 171.959 0.05 . 1 . . . A 67 LYS C . 11561 1 687 . 1 1 67 67 LYS CA C 13 54.658 0.05 . 1 . . . A 67 LYS CA . 11561 1 688 . 1 1 67 67 LYS CB C 13 36.851 0.05 . 1 . . . A 67 LYS CB . 11561 1 689 . 1 1 67 67 LYS N N 15 119.968 0.05 . 1 . . . A 67 LYS N . 11561 1 690 . 1 1 68 68 VAL H H 1 8.978 0.05 . 1 . . . A 68 VAL H . 11561 1 691 . 1 1 68 68 VAL HA H 1 4.791 0.05 . 1 . . . A 68 VAL HA . 11561 1 692 . 1 1 68 68 VAL HB H 1 1.79 0.05 . 1 . . . A 68 VAL HB . 11561 1 693 . 1 1 68 68 VAL HG11 H 1 0.749 0.05 . 2 . . . A 68 VAL HG11 . 11561 1 694 . 1 1 68 68 VAL HG12 H 1 0.749 0.05 . 2 . . . A 68 VAL HG12 . 11561 1 695 . 1 1 68 68 VAL HG13 H 1 0.749 0.05 . 2 . . . A 68 VAL HG13 . 11561 1 696 . 1 1 68 68 VAL HG21 H 1 0.716 0.05 . 2 . . . A 68 VAL HG21 . 11561 1 697 . 1 1 68 68 VAL HG22 H 1 0.716 0.05 . 2 . . . A 68 VAL HG22 . 11561 1 698 . 1 1 68 68 VAL HG23 H 1 0.716 0.05 . 2 . . . A 68 VAL HG23 . 11561 1 699 . 1 1 68 68 VAL C C 13 171.749 0.05 . 1 . . . A 68 VAL C . 11561 1 700 . 1 1 68 68 VAL CA C 13 58.645 0.05 . 1 . . . A 68 VAL CA . 11561 1 701 . 1 1 68 68 VAL CB C 13 35.624 0.05 . 1 . . . A 68 VAL CB . 11561 1 702 . 1 1 68 68 VAL CG2 C 13 22.865 0.05 . 2 . . . A 68 VAL CG2 . 11561 1 703 . 1 1 68 68 VAL N N 15 116.799 0.05 . 1 . . . A 68 VAL N . 11561 1 704 . 1 1 69 69 ASP H H 1 8.569 0.05 . 1 . . . A 69 ASP H . 11561 1 705 . 1 1 69 69 ASP HA H 1 3.479 0.05 . 1 . . . A 69 ASP HA . 11561 1 706 . 1 1 69 69 ASP HB2 H 1 2.497 0.05 . 2 . . . A 69 ASP HB2 . 11561 1 707 . 1 1 69 69 ASP HB3 H 1 2.204 0.05 . 2 . . . A 69 ASP HB3 . 11561 1 708 . 1 1 69 69 ASP C C 13 177.287 0.05 . 1 . . . A 69 ASP C . 11561 1 709 . 1 1 69 69 ASP CA C 13 51.442 0.05 . 1 . . . A 69 ASP CA . 11561 1 710 . 1 1 69 69 ASP CB C 13 38.503 0.05 . 1 . . . A 69 ASP CB . 11561 1 711 . 1 1 69 69 ASP N N 15 126.2 0.05 . 1 . . . A 69 ASP N . 11561 1 712 . 1 1 70 70 ALA H H 1 8.321 0.05 . 1 . . . A 70 ALA H . 11561 1 713 . 1 1 70 70 ALA HA H 1 4.675 0.05 . 1 . . . A 70 ALA HA . 11561 1 714 . 1 1 70 70 ALA HB1 H 1 1.821 0.05 . 1 . . . A 70 ALA HB1 . 11561 1 715 . 1 1 70 70 ALA HB2 H 1 1.821 0.05 . 1 . . . A 70 ALA HB2 . 11561 1 716 . 1 1 70 70 ALA HB3 H 1 1.821 0.05 . 1 . . . A 70 ALA HB3 . 11561 1 717 . 1 1 70 70 ALA C C 13 176.152 0.05 . 1 . . . A 70 ALA C . 11561 1 718 . 1 1 70 70 ALA CA C 13 52.721 0.05 . 1 . . . A 70 ALA CA . 11561 1 719 . 1 1 70 70 ALA CB C 13 19.231 0.05 . 1 . . . A 70 ALA CB . 11561 1 720 . 1 1 70 70 ALA N N 15 131.06 0.05 . 1 . . . A 70 ALA N . 11561 1 721 . 1 1 71 71 THR H H 1 8.695 0.1 . 1 . . . A 71 THR H . 11561 1 722 . 1 1 71 71 THR HA H 1 4.554 0.05 . 1 . . . A 71 THR HA . 11561 1 723 . 1 1 71 71 THR HB H 1 4.427 0.05 . 1 . . . A 71 THR HB . 11561 1 724 . 1 1 71 71 THR HG21 H 1 1.147 0.05 . 1 . . . A 71 THR HG21 . 11561 1 725 . 1 1 71 71 THR HG22 H 1 1.147 0.05 . 1 . . . A 71 THR HG22 . 11561 1 726 . 1 1 71 71 THR HG23 H 1 1.147 0.05 . 1 . . . A 71 THR HG23 . 11561 1 727 . 1 1 71 71 THR C C 13 174.875 0.05 . 1 . . . A 71 THR C . 11561 1 728 . 1 1 71 71 THR CA C 13 62.506 0.05 . 1 . . . A 71 THR CA . 11561 1 729 . 1 1 71 71 THR CB C 13 69.066 0.05 . 1 . . . A 71 THR CB . 11561 1 730 . 1 1 71 71 THR CG2 C 13 23.366 0.05 . 1 . . . A 71 THR CG2 . 11561 1 731 . 1 1 71 71 THR N N 15 109.127 0.05 . 1 . . . A 71 THR N . 11561 1 732 . 1 1 72 72 ALA H H 1 6.779 0.05 . 1 . . . A 72 ALA H . 11561 1 733 . 1 1 72 72 ALA HA H 1 4.61 0.05 . 1 . . . A 72 ALA HA . 11561 1 734 . 1 1 72 72 ALA HB1 H 1 1.302 0.05 . 1 . . . A 72 ALA HB1 . 11561 1 735 . 1 1 72 72 ALA HB2 H 1 1.302 0.05 . 1 . . . A 72 ALA HB2 . 11561 1 736 . 1 1 72 72 ALA HB3 H 1 1.302 0.05 . 1 . . . A 72 ALA HB3 . 11561 1 737 . 1 1 72 72 ALA C C 13 176.127 0.05 . 1 . . . A 72 ALA C . 11561 1 738 . 1 1 72 72 ALA CA C 13 50.984 0.05 . 1 . . . A 72 ALA CA . 11561 1 739 . 1 1 72 72 ALA CB C 13 21.488 0.05 . 1 . . . A 72 ALA CB . 11561 1 740 . 1 1 72 72 ALA N N 15 123.488 0.05 . 1 . . . A 72 ALA N . 11561 1 741 . 1 1 73 73 ASN H H 1 7.145 0.05 . 1 . . . A 73 ASN H . 11561 1 742 . 1 1 73 73 ASN HA H 1 4.938 0.05 . 1 . . . A 73 ASN HA . 11561 1 743 . 1 1 73 73 ASN HB2 H 1 1.982 0.05 . 2 . . . A 73 ASN HB2 . 11561 1 744 . 1 1 73 73 ASN HB3 H 1 2.522 0.05 . 2 . . . A 73 ASN HB3 . 11561 1 745 . 1 1 73 73 ASN HD21 H 1 7.482 0.05 . 2 . . . A 73 ASN HD21 . 11561 1 746 . 1 1 73 73 ASN HD22 H 1 8.244 0.05 . 2 . . . A 73 ASN HD22 . 11561 1 747 . 1 1 73 73 ASN C C 13 172.465 0.05 . 1 . . . A 73 ASN C . 11561 1 748 . 1 1 73 73 ASN CA C 13 52.343 0.05 . 1 . . . A 73 ASN CA . 11561 1 749 . 1 1 73 73 ASN CB C 13 42.983 0.05 . 1 . . . A 73 ASN CB . 11561 1 750 . 1 1 73 73 ASN N N 15 114.96 0.05 . 1 . . . A 73 ASN N . 11561 1 751 . 1 1 73 73 ASN ND2 N 15 118.819 0.05 . 1 . . . A 73 ASN ND2 . 11561 1 752 . 1 1 74 74 ASP H H 1 8.601 0.05 . 1 . . . A 74 ASP H . 11561 1 753 . 1 1 74 74 ASP HA H 1 3.768 0.05 . 1 . . . A 74 ASP HA . 11561 1 754 . 1 1 74 74 ASP HB3 H 1 2.519 0.05 . 2 . . . A 74 ASP HB3 . 11561 1 755 . 1 1 74 74 ASP C C 13 177.271 0.05 . 1 . . . A 74 ASP C . 11561 1 756 . 1 1 74 74 ASP CA C 13 57.373 0.05 . 1 . . . A 74 ASP CA . 11561 1 757 . 1 1 74 74 ASP N N 15 123.634 0.05 . 1 . . . A 74 ASP N . 11561 1 758 . 1 1 75 75 VAL H H 1 7.953 0.05 . 1 . . . A 75 VAL H . 11561 1 759 . 1 1 75 75 VAL HA H 1 3.876 0.05 . 1 . . . A 75 VAL HA . 11561 1 760 . 1 1 75 75 VAL HB H 1 2.073 0.05 . 1 . . . A 75 VAL HB . 11561 1 761 . 1 1 75 75 VAL HG11 H 1 0.891 0.05 . 2 . . . A 75 VAL HG11 . 11561 1 762 . 1 1 75 75 VAL HG12 H 1 0.891 0.05 . 2 . . . A 75 VAL HG12 . 11561 1 763 . 1 1 75 75 VAL HG13 H 1 0.891 0.05 . 2 . . . A 75 VAL HG13 . 11561 1 764 . 1 1 75 75 VAL HG21 H 1 1.113 0.05 . 2 . . . A 75 VAL HG21 . 11561 1 765 . 1 1 75 75 VAL HG22 H 1 1.113 0.05 . 2 . . . A 75 VAL HG22 . 11561 1 766 . 1 1 75 75 VAL HG23 H 1 1.113 0.05 . 2 . . . A 75 VAL HG23 . 11561 1 767 . 1 1 75 75 VAL CA C 13 59.197 0.05 . 1 . . . A 75 VAL CA . 11561 1 768 . 1 1 75 75 VAL CB C 13 30.404 0.05 . 1 . . . A 75 VAL CB . 11561 1 769 . 1 1 75 75 VAL CG1 C 13 21.474 0.05 . 2 . . . A 75 VAL CG1 . 11561 1 770 . 1 1 75 75 VAL CG2 C 13 17.75 0.05 . 2 . . . A 75 VAL CG2 . 11561 1 771 . 1 1 75 75 VAL N N 15 115.56 0.05 . 1 . . . A 75 VAL N . 11561 1 772 . 1 1 76 76 PRO HA H 1 4.227 0.05 . 1 . . . A 76 PRO HA . 11561 1 773 . 1 1 76 76 PRO HB2 H 1 1.846 0.05 . 2 . . . A 76 PRO HB2 . 11561 1 774 . 1 1 76 76 PRO HB3 H 1 2.123 0.05 . 2 . . . A 76 PRO HB3 . 11561 1 775 . 1 1 76 76 PRO HG2 H 1 1.771 0.05 . 2 . . . A 76 PRO HG2 . 11561 1 776 . 1 1 76 76 PRO HD2 H 1 3.027 0.05 . 2 . . . A 76 PRO HD2 . 11561 1 777 . 1 1 76 76 PRO HD3 H 1 2.417 0.05 . 2 . . . A 76 PRO HD3 . 11561 1 778 . 1 1 76 76 PRO C C 13 176.895 0.05 . 1 . . . A 76 PRO C . 11561 1 779 . 1 1 76 76 PRO CA C 13 63.922 0.05 . 1 . . . A 76 PRO CA . 11561 1 780 . 1 1 76 76 PRO CB C 13 31.371 0.05 . 1 . . . A 76 PRO CB . 11561 1 781 . 1 1 76 76 PRO CG C 13 27.676 0.05 . 1 . . . A 76 PRO CG . 11561 1 782 . 1 1 76 76 PRO CD C 13 49.359 0.05 . 1 . . . A 76 PRO CD . 11561 1 783 . 1 1 77 77 ASP H H 1 7.538 0.05 . 1 . . . A 77 ASP H . 11561 1 784 . 1 1 77 77 ASP HA H 1 4.163 0.05 . 1 . . . A 77 ASP HA . 11561 1 785 . 1 1 77 77 ASP HB2 H 1 1.822 0.05 . 2 . . . A 77 ASP HB2 . 11561 1 786 . 1 1 77 77 ASP HB3 H 1 1.624 0.05 . 2 . . . A 77 ASP HB3 . 11561 1 787 . 1 1 77 77 ASP C C 13 173.931 0.05 . 1 . . . A 77 ASP C . 11561 1 788 . 1 1 77 77 ASP CA C 13 54.438 0.05 . 1 . . . A 77 ASP CA . 11561 1 789 . 1 1 77 77 ASP CB C 13 42.98 0.05 . 1 . . . A 77 ASP CB . 11561 1 790 . 1 1 77 77 ASP N N 15 116.302 0.05 . 1 . . . A 77 ASP N . 11561 1 791 . 1 1 78 78 GLU H H 1 8.475 0.05 . 1 . . . A 78 GLU H . 11561 1 792 . 1 1 78 78 GLU HA H 1 4.258 0.05 . 1 . . . A 78 GLU HA . 11561 1 793 . 1 1 78 78 GLU HB2 H 1 1.859 0.05 . 2 . . . A 78 GLU HB2 . 11561 1 794 . 1 1 78 78 GLU HB3 H 1 1.773 0.05 . 2 . . . A 78 GLU HB3 . 11561 1 795 . 1 1 78 78 GLU HG2 H 1 2.033 0.05 . 2 . . . A 78 GLU HG2 . 11561 1 796 . 1 1 78 78 GLU HG3 H 1 2.197 0.05 . 2 . . . A 78 GLU HG3 . 11561 1 797 . 1 1 78 78 GLU C C 13 175.499 0.05 . 1 . . . A 78 GLU C . 11561 1 798 . 1 1 78 78 GLU CA C 13 55.7 0.05 . 1 . . . A 78 GLU CA . 11561 1 799 . 1 1 78 78 GLU CB C 13 29.615 0.05 . 1 . . . A 78 GLU CB . 11561 1 800 . 1 1 78 78 GLU CG C 13 36.17 0.05 . 1 . . . A 78 GLU CG . 11561 1 801 . 1 1 78 78 GLU N N 15 122.509 0.05 . 1 . . . A 78 GLU N . 11561 1 802 . 1 1 79 79 ILE H H 1 8.362 0.05 . 1 . . . A 79 ILE H . 11561 1 803 . 1 1 79 79 ILE HA H 1 4.051 0.05 . 1 . . . A 79 ILE HA . 11561 1 804 . 1 1 79 79 ILE HB H 1 1.738 0.05 . 1 . . . A 79 ILE HB . 11561 1 805 . 1 1 79 79 ILE HG12 H 1 0.851 0.05 . 2 . . . A 79 ILE HG12 . 11561 1 806 . 1 1 79 79 ILE HG13 H 1 0.782 0.05 . 2 . . . A 79 ILE HG13 . 11561 1 807 . 1 1 79 79 ILE HG21 H 1 0.285 0.05 . 1 . . . A 79 ILE HG21 . 11561 1 808 . 1 1 79 79 ILE HG22 H 1 0.285 0.05 . 1 . . . A 79 ILE HG22 . 11561 1 809 . 1 1 79 79 ILE HG23 H 1 0.285 0.05 . 1 . . . A 79 ILE HG23 . 11561 1 810 . 1 1 79 79 ILE HD11 H 1 0.05 0.05 . 1 . . . A 79 ILE HD11 . 11561 1 811 . 1 1 79 79 ILE HD12 H 1 0.05 0.05 . 1 . . . A 79 ILE HD12 . 11561 1 812 . 1 1 79 79 ILE HD13 H 1 0.05 0.05 . 1 . . . A 79 ILE HD13 . 11561 1 813 . 1 1 79 79 ILE C C 13 170.746 0.05 . 1 . . . A 79 ILE C . 11561 1 814 . 1 1 79 79 ILE CA C 13 58.62 0.05 . 1 . . . A 79 ILE CA . 11561 1 815 . 1 1 79 79 ILE CB C 13 37.511 0.05 . 1 . . . A 79 ILE CB . 11561 1 816 . 1 1 79 79 ILE CG1 C 13 26.114 0.05 . 1 . . . A 79 ILE CG1 . 11561 1 817 . 1 1 79 79 ILE CG2 C 13 18.006 0.05 . 1 . . . A 79 ILE CG2 . 11561 1 818 . 1 1 79 79 ILE CD1 C 13 10.221 0.05 . 1 . . . A 79 ILE CD1 . 11561 1 819 . 1 1 79 79 ILE N N 15 127.235 0.05 . 1 . . . A 79 ILE N . 11561 1 820 . 1 1 80 80 GLN H H 1 8.655 0.05 . 1 . . . A 80 GLN H . 11561 1 821 . 1 1 80 80 GLN HA H 1 4.355 0.05 . 1 . . . A 80 GLN HA . 11561 1 822 . 1 1 80 80 GLN HB2 H 1 1.701 0.05 . 2 . . . A 80 GLN HB2 . 11561 1 823 . 1 1 80 80 GLN HB3 H 1 1.965 0.05 . 2 . . . A 80 GLN HB3 . 11561 1 824 . 1 1 80 80 GLN HG3 H 1 2.217 0.05 . 2 . . . A 80 GLN HG3 . 11561 1 825 . 1 1 80 80 GLN HE21 H 1 6.687 0.05 . 2 . . . A 80 GLN HE21 . 11561 1 826 . 1 1 80 80 GLN HE22 H 1 7.432 0.05 . 2 . . . A 80 GLN HE22 . 11561 1 827 . 1 1 80 80 GLN C C 13 172.167 0.05 . 1 . . . A 80 GLN C . 11561 1 828 . 1 1 80 80 GLN CA C 13 55.529 0.05 . 1 . . . A 80 GLN CA . 11561 1 829 . 1 1 80 80 GLN CB C 13 29.383 0.05 . 1 . . . A 80 GLN CB . 11561 1 830 . 1 1 80 80 GLN CG C 13 33.735 0.05 . 1 . . . A 80 GLN CG . 11561 1 831 . 1 1 80 80 GLN N N 15 125.384 0.05 . 1 . . . A 80 GLN N . 11561 1 832 . 1 1 80 80 GLN NE2 N 15 111.837 0.05 . 1 . . . A 80 GLN NE2 . 11561 1 833 . 1 1 81 81 GLY H H 1 7.055 0.05 . 1 . . . A 81 GLY H . 11561 1 834 . 1 1 81 81 GLY HA2 H 1 3.838 0.05 . 2 . . . A 81 GLY HA2 . 11561 1 835 . 1 1 81 81 GLY HA3 H 1 3.776 0.05 . 2 . . . A 81 GLY HA3 . 11561 1 836 . 1 1 81 81 GLY C C 13 170.722 0.05 . 1 . . . A 81 GLY C . 11561 1 837 . 1 1 81 81 GLY CA C 13 44.119 0.05 . 1 . . . A 81 GLY CA . 11561 1 838 . 1 1 81 81 GLY N N 15 106.951 0.05 . 1 . . . A 81 GLY N . 11561 1 839 . 1 1 82 82 PHE H H 1 8.68 0.05 . 1 . . . A 82 PHE H . 11561 1 840 . 1 1 82 82 PHE HA H 1 5.142 0.05 . 1 . . . A 82 PHE HA . 11561 1 841 . 1 1 82 82 PHE HB3 H 1 2.967 0.05 . 2 . . . A 82 PHE HB3 . 11561 1 842 . 1 1 82 82 PHE HD2 H 1 7.192 0.05 . 3 . . . A 82 PHE HD2 . 11561 1 843 . 1 1 82 82 PHE HE2 H 1 7.141 0.05 . 3 . . . A 82 PHE HE2 . 11561 1 844 . 1 1 82 82 PHE C C 13 174.015 0.05 . 1 . . . A 82 PHE C . 11561 1 845 . 1 1 82 82 PHE CA C 13 54.515 0.05 . 1 . . . A 82 PHE CA . 11561 1 846 . 1 1 82 82 PHE CD2 C 13 131.518 0.05 . 3 . . . A 82 PHE CD2 . 11561 1 847 . 1 1 82 82 PHE N N 15 117.03 0.05 . 1 . . . A 82 PHE N . 11561 1 848 . 1 1 83 83 PRO HA H 1 5.433 0.05 . 1 . . . A 83 PRO HA . 11561 1 849 . 1 1 83 83 PRO HB2 H 1 1.871 0.05 . 2 . . . A 83 PRO HB2 . 11561 1 850 . 1 1 83 83 PRO HB3 H 1 2.65 0.05 . 2 . . . A 83 PRO HB3 . 11561 1 851 . 1 1 83 83 PRO HG2 H 1 1.836 0.05 . 2 . . . A 83 PRO HG2 . 11561 1 852 . 1 1 83 83 PRO HG3 H 1 2.049 0.05 . 2 . . . A 83 PRO HG3 . 11561 1 853 . 1 1 83 83 PRO HD2 H 1 3.93 0.05 . 2 . . . A 83 PRO HD2 . 11561 1 854 . 1 1 83 83 PRO HD3 H 1 3.413 0.05 . 2 . . . A 83 PRO HD3 . 11561 1 855 . 1 1 83 83 PRO C C 13 176.705 0.05 . 1 . . . A 83 PRO C . 11561 1 856 . 1 1 83 83 PRO CA C 13 63.36 0.05 . 1 . . . A 83 PRO CA . 11561 1 857 . 1 1 83 83 PRO CB C 13 34.452 0.05 . 1 . . . A 83 PRO CB . 11561 1 858 . 1 1 83 83 PRO CG C 13 23.934 0.05 . 1 . . . A 83 PRO CG . 11561 1 859 . 1 1 83 83 PRO CD C 13 50.034 0.05 . 1 . . . A 83 PRO CD . 11561 1 860 . 1 1 84 84 THR H H 1 8.611 0.05 . 1 . . . A 84 THR H . 11561 1 861 . 1 1 84 84 THR HA H 1 4.702 0.05 . 1 . . . A 84 THR HA . 11561 1 862 . 1 1 84 84 THR HB H 1 4.066 0.05 . 1 . . . A 84 THR HB . 11561 1 863 . 1 1 84 84 THR HG21 H 1 1.308 0.05 . 1 . . . A 84 THR HG21 . 11561 1 864 . 1 1 84 84 THR HG22 H 1 1.308 0.05 . 1 . . . A 84 THR HG22 . 11561 1 865 . 1 1 84 84 THR HG23 H 1 1.308 0.05 . 1 . . . A 84 THR HG23 . 11561 1 866 . 1 1 84 84 THR C C 13 172.238 0.05 . 1 . . . A 84 THR C . 11561 1 867 . 1 1 84 84 THR CA C 13 60.502 0.05 . 1 . . . A 84 THR CA . 11561 1 868 . 1 1 84 84 THR CB C 13 72.406 0.05 . 1 . . . A 84 THR CB . 11561 1 869 . 1 1 84 84 THR CG2 C 13 20.946 0.05 . 1 . . . A 84 THR CG2 . 11561 1 870 . 1 1 84 84 THR N N 15 116.82 0.05 . 1 . . . A 84 THR N . 11561 1 871 . 1 1 85 85 ILE H H 1 9.912 0.05 . 1 . . . A 85 ILE H . 11561 1 872 . 1 1 85 85 ILE HA H 1 5.393 0.05 . 1 . . . A 85 ILE HA . 11561 1 873 . 1 1 85 85 ILE HB H 1 1.735 0.05 . 1 . . . A 85 ILE HB . 11561 1 874 . 1 1 85 85 ILE HG12 H 1 1.617 0.05 . 2 . . . A 85 ILE HG12 . 11561 1 875 . 1 1 85 85 ILE HG21 H 1 0.797 0.05 . 1 . . . A 85 ILE HG21 . 11561 1 876 . 1 1 85 85 ILE HG22 H 1 0.797 0.05 . 1 . . . A 85 ILE HG22 . 11561 1 877 . 1 1 85 85 ILE HG23 H 1 0.797 0.05 . 1 . . . A 85 ILE HG23 . 11561 1 878 . 1 1 85 85 ILE HD11 H 1 0.817 0.05 . 1 . . . A 85 ILE HD11 . 11561 1 879 . 1 1 85 85 ILE HD12 H 1 0.817 0.05 . 1 . . . A 85 ILE HD12 . 11561 1 880 . 1 1 85 85 ILE HD13 H 1 0.817 0.05 . 1 . . . A 85 ILE HD13 . 11561 1 881 . 1 1 85 85 ILE C C 13 174.172 0.05 . 1 . . . A 85 ILE C . 11561 1 882 . 1 1 85 85 ILE CA C 13 60.465 0.05 . 1 . . . A 85 ILE CA . 11561 1 883 . 1 1 85 85 ILE CB C 13 41.065 0.05 . 1 . . . A 85 ILE CB . 11561 1 884 . 1 1 85 85 ILE CG1 C 13 28.568 0.05 . 1 . . . A 85 ILE CG1 . 11561 1 885 . 1 1 85 85 ILE CG2 C 13 17.826 0.05 . 1 . . . A 85 ILE CG2 . 11561 1 886 . 1 1 85 85 ILE CD1 C 13 13.791 0.05 . 1 . . . A 85 ILE CD1 . 11561 1 887 . 1 1 85 85 ILE N N 15 130.751 0.05 . 1 . . . A 85 ILE N . 11561 1 888 . 1 1 86 86 LYS H H 1 9.281 0.05 . 1 . . . A 86 LYS H . 11561 1 889 . 1 1 86 86 LYS HA H 1 5.661 0.05 . 1 . . . A 86 LYS HA . 11561 1 890 . 1 1 86 86 LYS HB2 H 1 1.701 0.05 . 2 . . . A 86 LYS HB2 . 11561 1 891 . 1 1 86 86 LYS HB3 H 1 1.439 0.05 . 2 . . . A 86 LYS HB3 . 11561 1 892 . 1 1 86 86 LYS HG2 H 1 1.699 0.05 . 2 . . . A 86 LYS HG2 . 11561 1 893 . 1 1 86 86 LYS HG3 H 1 1.566 0.05 . 2 . . . A 86 LYS HG3 . 11561 1 894 . 1 1 86 86 LYS HE2 H 1 2.748 0.05 . 2 . . . A 86 LYS HE2 . 11561 1 895 . 1 1 86 86 LYS HE3 H 1 2.557 0.05 . 2 . . . A 86 LYS HE3 . 11561 1 896 . 1 1 86 86 LYS C C 13 173.794 0.05 . 1 . . . A 86 LYS C . 11561 1 897 . 1 1 86 86 LYS CA C 13 54.464 0.05 . 1 . . . A 86 LYS CA . 11561 1 898 . 1 1 86 86 LYS CG C 13 26 0.05 . 1 . . . A 86 LYS CG . 11561 1 899 . 1 1 86 86 LYS CE C 13 41.698 0.05 . 1 . . . A 86 LYS CE . 11561 1 900 . 1 1 86 86 LYS NZ N 15 124.432 0.05 . 1 . . . A 86 LYS NZ . 11561 1 901 . 1 1 87 87 LEU H H 1 9.524 0.05 . 1 . . . A 87 LEU H . 11561 1 902 . 1 1 87 87 LEU HA H 1 5.559 0.05 . 1 . . . A 87 LEU HA . 11561 1 903 . 1 1 87 87 LEU HB2 H 1 1.432 0.05 . 2 . . . A 87 LEU HB2 . 11561 1 904 . 1 1 87 87 LEU HB3 H 1 1.696 0.05 . 2 . . . A 87 LEU HB3 . 11561 1 905 . 1 1 87 87 LEU HG H 1 0.391 0.05 . 1 . . . A 87 LEU HG . 11561 1 906 . 1 1 87 87 LEU HD11 H 1 0.707 0.05 . 2 . . . A 87 LEU HD11 . 11561 1 907 . 1 1 87 87 LEU HD12 H 1 0.707 0.05 . 2 . . . A 87 LEU HD12 . 11561 1 908 . 1 1 87 87 LEU HD13 H 1 0.707 0.05 . 2 . . . A 87 LEU HD13 . 11561 1 909 . 1 1 87 87 LEU HD21 H 1 1.072 0.05 . 2 . . . A 87 LEU HD21 . 11561 1 910 . 1 1 87 87 LEU HD22 H 1 1.072 0.05 . 2 . . . A 87 LEU HD22 . 11561 1 911 . 1 1 87 87 LEU HD23 H 1 1.072 0.05 . 2 . . . A 87 LEU HD23 . 11561 1 912 . 1 1 87 87 LEU C C 13 175.066 0.05 . 1 . . . A 87 LEU C . 11561 1 913 . 1 1 87 87 LEU CA C 13 52.92 0.05 . 1 . . . A 87 LEU CA . 11561 1 914 . 1 1 87 87 LEU CB C 13 46.205 0.05 . 1 . . . A 87 LEU CB . 11561 1 915 . 1 1 87 87 LEU CG C 13 27.875 0.05 . 1 . . . A 87 LEU CG . 11561 1 916 . 1 1 87 87 LEU CD1 C 13 24.169 0.05 . 2 . . . A 87 LEU CD1 . 11561 1 917 . 1 1 87 87 LEU CD2 C 13 27.899 0.05 . 2 . . . A 87 LEU CD2 . 11561 1 918 . 1 1 87 87 LEU N N 15 122.042 0.05 . 1 . . . A 87 LEU N . 11561 1 919 . 1 1 88 88 TYR H H 1 9.957 0.05 . 1 . . . A 88 TYR H . 11561 1 920 . 1 1 88 88 TYR HA H 1 4.775 0.05 . 1 . . . A 88 TYR HA . 11561 1 921 . 1 1 88 88 TYR HB2 H 1 2.957 0.05 . 2 . . . A 88 TYR HB2 . 11561 1 922 . 1 1 88 88 TYR HB3 H 1 2.808 0.05 . 2 . . . A 88 TYR HB3 . 11561 1 923 . 1 1 88 88 TYR HD1 H 1 7.033 0.05 . 3 . . . A 88 TYR HD1 . 11561 1 924 . 1 1 88 88 TYR HE1 H 1 6.416 0.05 . 3 . . . A 88 TYR HE1 . 11561 1 925 . 1 1 88 88 TYR C C 13 175.254 0.05 . 1 . . . A 88 TYR C . 11561 1 926 . 1 1 88 88 TYR CA C 13 53.506 0.05 . 1 . . . A 88 TYR CA . 11561 1 927 . 1 1 88 88 TYR CB C 13 39.787 0.05 . 1 . . . A 88 TYR CB . 11561 1 928 . 1 1 88 88 TYR CD1 C 13 132.935 0.05 . 3 . . . A 88 TYR CD1 . 11561 1 929 . 1 1 88 88 TYR CE1 C 13 117.509 0.05 . 3 . . . A 88 TYR CE1 . 11561 1 930 . 1 1 88 88 TYR N N 15 128.975 0.05 . 1 . . . A 88 TYR N . 11561 1 931 . 1 1 89 89 PRO HA H 1 4.702 0.05 . 1 . . . A 89 PRO HA . 11561 1 932 . 1 1 89 89 PRO HB3 H 1 2.328 0.05 . 2 . . . A 89 PRO HB3 . 11561 1 933 . 1 1 89 89 PRO HG2 H 1 1.641 0.05 . 2 . . . A 89 PRO HG2 . 11561 1 934 . 1 1 89 89 PRO HD2 H 1 4.413 0.05 . 2 . . . A 89 PRO HD2 . 11561 1 935 . 1 1 89 89 PRO HD3 H 1 3.609 0.05 . 2 . . . A 89 PRO HD3 . 11561 1 936 . 1 1 89 89 PRO C C 13 175.92 0.05 . 1 . . . A 89 PRO C . 11561 1 937 . 1 1 89 89 PRO CA C 13 62.523 0.05 . 1 . . . A 89 PRO CA . 11561 1 938 . 1 1 89 89 PRO CB C 13 32.338 0.05 . 1 . . . A 89 PRO CB . 11561 1 939 . 1 1 89 89 PRO CG C 13 26.683 0.05 . 1 . . . A 89 PRO CG . 11561 1 940 . 1 1 89 89 PRO CD C 13 52.163 0.05 . 1 . . . A 89 PRO CD . 11561 1 941 . 1 1 90 90 ALA H H 1 9.502 0.05 . 1 . . . A 90 ALA H . 11561 1 942 . 1 1 90 90 ALA HA H 1 3.811 0.05 . 1 . . . A 90 ALA HA . 11561 1 943 . 1 1 90 90 ALA HB1 H 1 1.044 0.05 . 1 . . . A 90 ALA HB1 . 11561 1 944 . 1 1 90 90 ALA HB2 H 1 1.044 0.05 . 1 . . . A 90 ALA HB2 . 11561 1 945 . 1 1 90 90 ALA HB3 H 1 1.044 0.05 . 1 . . . A 90 ALA HB3 . 11561 1 946 . 1 1 90 90 ALA C C 13 177.563 0.05 . 1 . . . A 90 ALA C . 11561 1 947 . 1 1 90 90 ALA CA C 13 54.253 0.05 . 1 . . . A 90 ALA CA . 11561 1 948 . 1 1 90 90 ALA CB C 13 18.481 0.05 . 1 . . . A 90 ALA CB . 11561 1 949 . 1 1 90 90 ALA N N 15 128.998 0.05 . 1 . . . A 90 ALA N . 11561 1 950 . 1 1 91 91 GLY H H 1 8.532 0.05 . 1 . . . A 91 GLY H . 11561 1 951 . 1 1 91 91 GLY HA2 H 1 3.998 0.05 . 2 . . . A 91 GLY HA2 . 11561 1 952 . 1 1 91 91 GLY HA3 H 1 3.955 0.05 . 2 . . . A 91 GLY HA3 . 11561 1 953 . 1 1 91 91 GLY C C 13 174.292 0.05 . 1 . . . A 91 GLY C . 11561 1 954 . 1 1 91 91 GLY CA C 13 45.313 0.05 . 1 . . . A 91 GLY CA . 11561 1 955 . 1 1 91 91 GLY N N 15 111.592 0.05 . 1 . . . A 91 GLY N . 11561 1 956 . 1 1 92 92 ALA H H 1 7.861 0.05 . 1 . . . A 92 ALA H . 11561 1 957 . 1 1 92 92 ALA HA H 1 4.833 0.05 . 1 . . . A 92 ALA HA . 11561 1 958 . 1 1 92 92 ALA HB1 H 1 1.204 0.05 . 1 . . . A 92 ALA HB1 . 11561 1 959 . 1 1 92 92 ALA HB2 H 1 1.204 0.05 . 1 . . . A 92 ALA HB2 . 11561 1 960 . 1 1 92 92 ALA HB3 H 1 1.204 0.05 . 1 . . . A 92 ALA HB3 . 11561 1 961 . 1 1 92 92 ALA C C 13 176.885 0.05 . 1 . . . A 92 ALA C . 11561 1 962 . 1 1 92 92 ALA CA C 13 51.055 0.05 . 1 . . . A 92 ALA CA . 11561 1 963 . 1 1 92 92 ALA CB C 13 18.156 0.05 . 1 . . . A 92 ALA CB . 11561 1 964 . 1 1 92 92 ALA N N 15 125.432 0.05 . 1 . . . A 92 ALA N . 11561 1 965 . 1 1 93 93 LYS H H 1 9.082 0.05 . 1 . . . A 93 LYS H . 11561 1 966 . 1 1 93 93 LYS HA H 1 4.003 0.05 . 1 . . . A 93 LYS HA . 11561 1 967 . 1 1 93 93 LYS HB2 H 1 2.133 0.05 . 2 . . . A 93 LYS HB2 . 11561 1 968 . 1 1 93 93 LYS HB3 H 1 2.042 0.05 . 2 . . . A 93 LYS HB3 . 11561 1 969 . 1 1 93 93 LYS HG2 H 1 1.054 0.05 . 2 . . . A 93 LYS HG2 . 11561 1 970 . 1 1 93 93 LYS HG3 H 1 1.921 0.05 . 2 . . . A 93 LYS HG3 . 11561 1 971 . 1 1 93 93 LYS HD3 H 1 1.436 0.05 . 2 . . . A 93 LYS HD3 . 11561 1 972 . 1 1 93 93 LYS C C 13 177.626 0.05 . 1 . . . A 93 LYS C . 11561 1 973 . 1 1 93 93 LYS CA C 13 56.433 0.05 . 1 . . . A 93 LYS CA . 11561 1 974 . 1 1 93 93 LYS CB C 13 31.132 0.05 . 1 . . . A 93 LYS CB . 11561 1 975 . 1 1 93 93 LYS N N 15 117.281 0.05 . 1 . . . A 93 LYS N . 11561 1 976 . 1 1 94 94 GLY H H 1 8.505 0.05 . 1 . . . A 94 GLY H . 11561 1 977 . 1 1 94 94 GLY HA2 H 1 3.728 0.05 . 2 . . . A 94 GLY HA2 . 11561 1 978 . 1 1 94 94 GLY HA3 H 1 4.253 0.05 . 2 . . . A 94 GLY HA3 . 11561 1 979 . 1 1 94 94 GLY C C 13 173.768 0.05 . 1 . . . A 94 GLY C . 11561 1 980 . 1 1 94 94 GLY CA C 13 44.84 0.05 . 1 . . . A 94 GLY CA . 11561 1 981 . 1 1 94 94 GLY N N 15 103.04 0.05 . 1 . . . A 94 GLY N . 11561 1 982 . 1 1 95 95 GLN H H 1 7.632 0.05 . 1 . . . A 95 GLN H . 11561 1 983 . 1 1 95 95 GLN HA H 1 4.821 0.05 . 1 . . . A 95 GLN HA . 11561 1 984 . 1 1 95 95 GLN HB3 H 1 1.868 0.05 . 2 . . . A 95 GLN HB3 . 11561 1 985 . 1 1 95 95 GLN HE21 H 1 6.791 0.05 . 2 . . . A 95 GLN HE21 . 11561 1 986 . 1 1 95 95 GLN HE22 H 1 7.465 0.05 . 2 . . . A 95 GLN HE22 . 11561 1 987 . 1 1 95 95 GLN CA C 13 54.367 0.05 . 1 . . . A 95 GLN CA . 11561 1 988 . 1 1 95 95 GLN CB C 13 29.321 0.05 . 1 . . . A 95 GLN CB . 11561 1 989 . 1 1 95 95 GLN N N 15 119.557 0.05 . 1 . . . A 95 GLN N . 11561 1 990 . 1 1 95 95 GLN NE2 N 15 111.803 0.05 . 1 . . . A 95 GLN NE2 . 11561 1 991 . 1 1 96 96 PRO HA H 1 4.582 0.05 . 1 . . . A 96 PRO HA . 11561 1 992 . 1 1 96 96 PRO HB2 H 1 0.998 0.05 . 2 . . . A 96 PRO HB2 . 11561 1 993 . 1 1 96 96 PRO HB3 H 1 0.57 0.05 . 2 . . . A 96 PRO HB3 . 11561 1 994 . 1 1 96 96 PRO HG2 H 1 1.755 0.05 . 2 . . . A 96 PRO HG2 . 11561 1 995 . 1 1 96 96 PRO HD2 H 1 3.451 0.05 . 2 . . . A 96 PRO HD2 . 11561 1 996 . 1 1 96 96 PRO HD3 H 1 3.312 0.05 . 2 . . . A 96 PRO HD3 . 11561 1 997 . 1 1 96 96 PRO C C 13 177.203 0.05 . 1 . . . A 96 PRO C . 11561 1 998 . 1 1 96 96 PRO CA C 13 62.644 0.05 . 1 . . . A 96 PRO CA . 11561 1 999 . 1 1 96 96 PRO CB C 13 31.365 0.05 . 1 . . . A 96 PRO CB . 11561 1 1000 . 1 1 96 96 PRO CG C 13 27.037 0.05 . 1 . . . A 96 PRO CG . 11561 1 1001 . 1 1 96 96 PRO CD C 13 49.758 0.05 . 1 . . . A 96 PRO CD . 11561 1 1002 . 1 1 97 97 VAL H H 1 8.752 0.05 . 1 . . . A 97 VAL H . 11561 1 1003 . 1 1 97 97 VAL HA H 1 4.429 0.05 . 1 . . . A 97 VAL HA . 11561 1 1004 . 1 1 97 97 VAL HB H 1 1.953 0.05 . 1 . . . A 97 VAL HB . 11561 1 1005 . 1 1 97 97 VAL HG11 H 1 1.101 0.05 . 2 . . . A 97 VAL HG11 . 11561 1 1006 . 1 1 97 97 VAL HG12 H 1 1.101 0.05 . 2 . . . A 97 VAL HG12 . 11561 1 1007 . 1 1 97 97 VAL HG13 H 1 1.101 0.05 . 2 . . . A 97 VAL HG13 . 11561 1 1008 . 1 1 97 97 VAL HG21 H 1 0.966 0.05 . 2 . . . A 97 VAL HG21 . 11561 1 1009 . 1 1 97 97 VAL HG22 H 1 0.966 0.05 . 2 . . . A 97 VAL HG22 . 11561 1 1010 . 1 1 97 97 VAL HG23 H 1 0.966 0.05 . 2 . . . A 97 VAL HG23 . 11561 1 1011 . 1 1 97 97 VAL C C 13 176.363 0.05 . 1 . . . A 97 VAL C . 11561 1 1012 . 1 1 97 97 VAL CA C 13 60.766 0.05 . 1 . . . A 97 VAL CA . 11561 1 1013 . 1 1 97 97 VAL CB C 13 34.468 0.05 . 1 . . . A 97 VAL CB . 11561 1 1014 . 1 1 97 97 VAL CG1 C 13 22.307 0.05 . 2 . . . A 97 VAL CG1 . 11561 1 1015 . 1 1 97 97 VAL CG2 C 13 20.708 0.05 . 2 . . . A 97 VAL CG2 . 11561 1 1016 . 1 1 97 97 VAL N N 15 120.73 0.05 . 1 . . . A 97 VAL N . 11561 1 1017 . 1 1 98 98 THR H H 1 9.342 0.05 . 1 . . . A 98 THR H . 11561 1 1018 . 1 1 98 98 THR HA H 1 4.676 0.05 . 1 . . . A 98 THR HA . 11561 1 1019 . 1 1 98 98 THR HB H 1 4.076 0.05 . 1 . . . A 98 THR HB . 11561 1 1020 . 1 1 98 98 THR HG21 H 1 1.29 0.05 . 1 . . . A 98 THR HG21 . 11561 1 1021 . 1 1 98 98 THR HG22 H 1 1.29 0.05 . 1 . . . A 98 THR HG22 . 11561 1 1022 . 1 1 98 98 THR HG23 H 1 1.29 0.05 . 1 . . . A 98 THR HG23 . 11561 1 1023 . 1 1 98 98 THR C C 13 173.358 0.05 . 1 . . . A 98 THR C . 11561 1 1024 . 1 1 98 98 THR CA C 13 63.831 0.05 . 1 . . . A 98 THR CA . 11561 1 1025 . 1 1 98 98 THR CB C 13 69.1 0.05 . 1 . . . A 98 THR CB . 11561 1 1026 . 1 1 98 98 THR CG2 C 13 21.774 0.05 . 1 . . . A 98 THR CG2 . 11561 1 1027 . 1 1 98 98 THR N N 15 125.972 0.05 . 1 . . . A 98 THR N . 11561 1 1028 . 1 1 99 99 TYR H H 1 8.971 0.05 . 1 . . . A 99 TYR H . 11561 1 1029 . 1 1 99 99 TYR HA H 1 3.779 0.05 . 1 . . . A 99 TYR HA . 11561 1 1030 . 1 1 99 99 TYR HB2 H 1 2.552 0.05 . 2 . . . A 99 TYR HB2 . 11561 1 1031 . 1 1 99 99 TYR HB3 H 1 1.99 0.05 . 2 . . . A 99 TYR HB3 . 11561 1 1032 . 1 1 99 99 TYR HD1 H 1 7.147 0.05 . 3 . . . A 99 TYR HD1 . 11561 1 1033 . 1 1 99 99 TYR HE1 H 1 6.342 0.05 . 3 . . . A 99 TYR HE1 . 11561 1 1034 . 1 1 99 99 TYR HH H 1 6.498 0.05 . 1 . . . A 99 TYR HH . 11561 1 1035 . 1 1 99 99 TYR C C 13 176.399 0.05 . 1 . . . A 99 TYR C . 11561 1 1036 . 1 1 99 99 TYR CA C 13 58.417 0.05 . 1 . . . A 99 TYR CA . 11561 1 1037 . 1 1 99 99 TYR CB C 13 39.037 0.05 . 1 . . . A 99 TYR CB . 11561 1 1038 . 1 1 99 99 TYR CD1 C 13 129.712 0.05 . 3 . . . A 99 TYR CD1 . 11561 1 1039 . 1 1 99 99 TYR CE1 C 13 117.826 0.05 . 3 . . . A 99 TYR CE1 . 11561 1 1040 . 1 1 100 100 SER H H 1 8.142 0.05 . 1 . . . A 100 SER H . 11561 1 1041 . 1 1 100 100 SER HA H 1 4.371 0.05 . 1 . . . A 100 SER HA . 11561 1 1042 . 1 1 100 100 SER HB2 H 1 3.92 0.05 . 2 . . . A 100 SER HB2 . 11561 1 1043 . 1 1 100 100 SER HB3 H 1 3.862 0.05 . 2 . . . A 100 SER HB3 . 11561 1 1044 . 1 1 100 100 SER C C 13 173.308 0.05 . 1 . . . A 100 SER C . 11561 1 1045 . 1 1 100 100 SER CA C 13 58.96 0.05 . 1 . . . A 100 SER CA . 11561 1 1046 . 1 1 100 100 SER CB C 13 63.931 0.05 . 1 . . . A 100 SER CB . 11561 1 1047 . 1 1 100 100 SER N N 15 122.762 0.05 . 1 . . . A 100 SER N . 11561 1 1048 . 1 1 101 101 GLY H H 1 5.398 0.05 . 1 . . . A 101 GLY H . 11561 1 1049 . 1 1 101 101 GLY HA2 H 1 3.712 0.05 . 2 . . . A 101 GLY HA2 . 11561 1 1050 . 1 1 101 101 GLY HA3 H 1 4.181 0.05 . 2 . . . A 101 GLY HA3 . 11561 1 1051 . 1 1 101 101 GLY C C 13 173.756 0.05 . 1 . . . A 101 GLY C . 11561 1 1052 . 1 1 101 101 GLY CA C 13 44.701 0.05 . 1 . . . A 101 GLY CA . 11561 1 1053 . 1 1 101 101 GLY N N 15 107.467 0.05 . 1 . . . A 101 GLY N . 11561 1 1054 . 1 1 102 102 SER H H 1 7.929 0.05 . 1 . . . A 102 SER H . 11561 1 1055 . 1 1 102 102 SER HA H 1 4.087 0.05 . 1 . . . A 102 SER HA . 11561 1 1056 . 1 1 102 102 SER HB2 H 1 3.597 0.05 . 2 . . . A 102 SER HB2 . 11561 1 1057 . 1 1 102 102 SER HB3 H 1 3.742 0.05 . 2 . . . A 102 SER HB3 . 11561 1 1058 . 1 1 102 102 SER C C 13 176.074 0.05 . 1 . . . A 102 SER C . 11561 1 1059 . 1 1 102 102 SER CA C 13 56.489 0.05 . 1 . . . A 102 SER CA . 11561 1 1060 . 1 1 102 102 SER CB C 13 63.935 0.05 . 1 . . . A 102 SER CB . 11561 1 1061 . 1 1 102 102 SER N N 15 114.299 0.05 . 1 . . . A 102 SER N . 11561 1 1062 . 1 1 103 103 ARG H H 1 9.57 0.05 . 1 . . . A 103 ARG H . 11561 1 1063 . 1 1 103 103 ARG HA H 1 3.764 0.05 . 1 . . . A 103 ARG HA . 11561 1 1064 . 1 1 103 103 ARG HB2 H 1 2.371 0.05 . 2 . . . A 103 ARG HB2 . 11561 1 1065 . 1 1 103 103 ARG HB3 H 1 2.054 0.05 . 2 . . . A 103 ARG HB3 . 11561 1 1066 . 1 1 103 103 ARG HG2 H 1 1.5 0.05 . 2 . . . A 103 ARG HG2 . 11561 1 1067 . 1 1 103 103 ARG C C 13 174.214 0.05 . 1 . . . A 103 ARG C . 11561 1 1068 . 1 1 103 103 ARG CA C 13 57.305 0.05 . 1 . . . A 103 ARG CA . 11561 1 1069 . 1 1 103 103 ARG CG C 13 28.852 0.05 . 1 . . . A 103 ARG CG . 11561 1 1070 . 1 1 103 103 ARG N N 15 118.375 0.05 . 1 . . . A 103 ARG N . 11561 1 1071 . 1 1 104 104 THR H H 1 7.281 0.05 . 1 . . . A 104 THR H . 11561 1 1072 . 1 1 104 104 THR HA H 1 4.556 0.05 . 1 . . . A 104 THR HA . 11561 1 1073 . 1 1 104 104 THR HB H 1 4.61 0.05 . 1 . . . A 104 THR HB . 11561 1 1074 . 1 1 104 104 THR HG21 H 1 1.254 0.05 . 1 . . . A 104 THR HG21 . 11561 1 1075 . 1 1 104 104 THR HG22 H 1 1.254 0.05 . 1 . . . A 104 THR HG22 . 11561 1 1076 . 1 1 104 104 THR HG23 H 1 1.254 0.05 . 1 . . . A 104 THR HG23 . 11561 1 1077 . 1 1 104 104 THR C C 13 174.513 0.05 . 1 . . . A 104 THR C . 11561 1 1078 . 1 1 104 104 THR CA C 13 57.674 0.05 . 1 . . . A 104 THR CA . 11561 1 1079 . 1 1 104 104 THR CB C 13 70.817 0.05 . 1 . . . A 104 THR CB . 11561 1 1080 . 1 1 104 104 THR CG2 C 13 21.815 0.05 . 1 . . . A 104 THR CG2 . 11561 1 1081 . 1 1 104 104 THR N N 15 107.555 0.05 . 1 . . . A 104 THR N . 11561 1 1082 . 1 1 105 105 VAL H H 1 8.832 0.05 . 1 . . . A 105 VAL H . 11561 1 1083 . 1 1 105 105 VAL HA H 1 3.444 0.05 . 1 . . . A 105 VAL HA . 11561 1 1084 . 1 1 105 105 VAL HB H 1 1.994 0.05 . 1 . . . A 105 VAL HB . 11561 1 1085 . 1 1 105 105 VAL HG11 H 1 1.146 0.05 . 2 . . . A 105 VAL HG11 . 11561 1 1086 . 1 1 105 105 VAL HG12 H 1 1.146 0.05 . 2 . . . A 105 VAL HG12 . 11561 1 1087 . 1 1 105 105 VAL HG13 H 1 1.146 0.05 . 2 . . . A 105 VAL HG13 . 11561 1 1088 . 1 1 105 105 VAL HG21 H 1 0.91 0.05 . 2 . . . A 105 VAL HG21 . 11561 1 1089 . 1 1 105 105 VAL HG22 H 1 0.91 0.05 . 2 . . . A 105 VAL HG22 . 11561 1 1090 . 1 1 105 105 VAL HG23 H 1 0.91 0.05 . 2 . . . A 105 VAL HG23 . 11561 1 1091 . 1 1 105 105 VAL C C 13 177.273 0.05 . 1 . . . A 105 VAL C . 11561 1 1092 . 1 1 105 105 VAL CA C 13 67.977 0.05 . 1 . . . A 105 VAL CA . 11561 1 1093 . 1 1 105 105 VAL CB C 13 30.244 0.05 . 1 . . . A 105 VAL CB . 11561 1 1094 . 1 1 105 105 VAL CG1 C 13 25.067 0.05 . 2 . . . A 105 VAL CG1 . 11561 1 1095 . 1 1 105 105 VAL CG2 C 13 21.147 0.05 . 2 . . . A 105 VAL CG2 . 11561 1 1096 . 1 1 105 105 VAL N N 15 122.148 0.05 . 1 . . . A 105 VAL N . 11561 1 1097 . 1 1 106 106 GLU H H 1 8.904 0.05 . 1 . . . A 106 GLU H . 11561 1 1098 . 1 1 106 106 GLU HA H 1 3.932 0.05 . 1 . . . A 106 GLU HA . 11561 1 1099 . 1 1 106 106 GLU HB2 H 1 2.024 0.05 . 2 . . . A 106 GLU HB2 . 11561 1 1100 . 1 1 106 106 GLU HB3 H 1 1.812 0.05 . 2 . . . A 106 GLU HB3 . 11561 1 1101 . 1 1 106 106 GLU HG2 H 1 2.309 0.05 . 2 . . . A 106 GLU HG2 . 11561 1 1102 . 1 1 106 106 GLU HG3 H 1 2.378 0.05 . 2 . . . A 106 GLU HG3 . 11561 1 1103 . 1 1 106 106 GLU C C 13 178.913 0.05 . 1 . . . A 106 GLU C . 11561 1 1104 . 1 1 106 106 GLU CA C 13 60.295 0.05 . 1 . . . A 106 GLU CA . 11561 1 1105 . 1 1 106 106 GLU CB C 13 27.108 0.05 . 1 . . . A 106 GLU CB . 11561 1 1106 . 1 1 106 106 GLU CG C 13 36.477 0.05 . 1 . . . A 106 GLU CG . 11561 1 1107 . 1 1 106 106 GLU N N 15 115.905 0.05 . 1 . . . A 106 GLU N . 11561 1 1108 . 1 1 107 107 ASP H H 1 7.948 0.05 . 1 . . . A 107 ASP H . 11561 1 1109 . 1 1 107 107 ASP HA H 1 4.533 0.05 . 1 . . . A 107 ASP HA . 11561 1 1110 . 1 1 107 107 ASP HB3 H 1 2.762 0.05 . 2 . . . A 107 ASP HB3 . 11561 1 1111 . 1 1 107 107 ASP C C 13 178.566 0.05 . 1 . . . A 107 ASP C . 11561 1 1112 . 1 1 107 107 ASP CA C 13 57.674 0.05 . 1 . . . A 107 ASP CA . 11561 1 1113 . 1 1 107 107 ASP CB C 13 42.135 0.05 . 1 . . . A 107 ASP CB . 11561 1 1114 . 1 1 107 107 ASP N N 15 120.329 0.05 . 1 . . . A 107 ASP N . 11561 1 1115 . 1 1 108 108 LEU H H 1 8.107 0.05 . 1 . . . A 108 LEU H . 11561 1 1116 . 1 1 108 108 LEU HA H 1 3.987 0.05 . 1 . . . A 108 LEU HA . 11561 1 1117 . 1 1 108 108 LEU HB2 H 1 2.088 0.05 . 2 . . . A 108 LEU HB2 . 11561 1 1118 . 1 1 108 108 LEU HB3 H 1 1.208 0.05 . 2 . . . A 108 LEU HB3 . 11561 1 1119 . 1 1 108 108 LEU HG H 1 1.5 0.05 . 1 . . . A 108 LEU HG . 11561 1 1120 . 1 1 108 108 LEU HD11 H 1 0.648 0.05 . 2 . . . A 108 LEU HD11 . 11561 1 1121 . 1 1 108 108 LEU HD12 H 1 0.648 0.05 . 2 . . . A 108 LEU HD12 . 11561 1 1122 . 1 1 108 108 LEU HD13 H 1 0.648 0.05 . 2 . . . A 108 LEU HD13 . 11561 1 1123 . 1 1 108 108 LEU HD21 H 1 0.05 0.05 . 2 . . . A 108 LEU HD21 . 11561 1 1124 . 1 1 108 108 LEU HD22 H 1 0.05 0.05 . 2 . . . A 108 LEU HD22 . 11561 1 1125 . 1 1 108 108 LEU HD23 H 1 0.05 0.05 . 2 . . . A 108 LEU HD23 . 11561 1 1126 . 1 1 108 108 LEU C C 13 178.61 0.05 . 1 . . . A 108 LEU C . 11561 1 1127 . 1 1 108 108 LEU CA C 13 53.905 0.05 . 1 . . . A 108 LEU CA . 11561 1 1128 . 1 1 108 108 LEU CB C 13 42.465 0.05 . 1 . . . A 108 LEU CB . 11561 1 1129 . 1 1 108 108 LEU CG C 13 27.973 0.05 . 1 . . . A 108 LEU CG . 11561 1 1130 . 1 1 108 108 LEU CD1 C 13 22.822 0.05 . 2 . . . A 108 LEU CD1 . 11561 1 1131 . 1 1 108 108 LEU CD2 C 13 24.835 0.05 . 2 . . . A 108 LEU CD2 . 11561 1 1132 . 1 1 108 108 LEU N N 15 122.154 0.05 . 1 . . . A 108 LEU N . 11561 1 1133 . 1 1 109 109 ILE H H 1 8.351 0.05 . 1 . . . A 109 ILE H . 11561 1 1134 . 1 1 109 109 ILE HA H 1 4.015 0.05 . 1 . . . A 109 ILE HA . 11561 1 1135 . 1 1 109 109 ILE HB H 1 1.794 0.05 . 1 . . . A 109 ILE HB . 11561 1 1136 . 1 1 109 109 ILE HG12 H 1 1.048 0.05 . 2 . . . A 109 ILE HG12 . 11561 1 1137 . 1 1 109 109 ILE HG13 H 1 1.253 0.05 . 2 . . . A 109 ILE HG13 . 11561 1 1138 . 1 1 109 109 ILE HG21 H 1 0.987 0.05 . 1 . . . A 109 ILE HG21 . 11561 1 1139 . 1 1 109 109 ILE HG22 H 1 0.987 0.05 . 1 . . . A 109 ILE HG22 . 11561 1 1140 . 1 1 109 109 ILE HG23 H 1 0.987 0.05 . 1 . . . A 109 ILE HG23 . 11561 1 1141 . 1 1 109 109 ILE HD11 H 1 0.767 0.05 . 1 . . . A 109 ILE HD11 . 11561 1 1142 . 1 1 109 109 ILE HD12 H 1 0.767 0.05 . 1 . . . A 109 ILE HD12 . 11561 1 1143 . 1 1 109 109 ILE HD13 H 1 0.767 0.05 . 1 . . . A 109 ILE HD13 . 11561 1 1144 . 1 1 109 109 ILE C C 13 177.726 0.05 . 1 . . . A 109 ILE C . 11561 1 1145 . 1 1 109 109 ILE CA C 13 65.661 0.05 . 1 . . . A 109 ILE CA . 11561 1 1146 . 1 1 109 109 ILE CB C 13 38.885 0.05 . 1 . . . A 109 ILE CB . 11561 1 1147 . 1 1 109 109 ILE CG1 C 13 28.738 0.05 . 1 . . . A 109 ILE CG1 . 11561 1 1148 . 1 1 109 109 ILE CG2 C 13 16.606 0.05 . 1 . . . A 109 ILE CG2 . 11561 1 1149 . 1 1 109 109 ILE CD1 C 13 14.962 0.05 . 1 . . . A 109 ILE CD1 . 11561 1 1150 . 1 1 109 109 ILE N N 15 120.448 0.05 . 1 . . . A 109 ILE N . 11561 1 1151 . 1 1 110 110 LYS H H 1 7.422 0.05 . 1 . . . A 110 LYS H . 11561 1 1152 . 1 1 110 110 LYS HA H 1 3.971 0.05 . 1 . . . A 110 LYS HA . 11561 1 1153 . 1 1 110 110 LYS HB2 H 1 2.055 0.05 . 2 . . . A 110 LYS HB2 . 11561 1 1154 . 1 1 110 110 LYS HB3 H 1 1.967 0.05 . 2 . . . A 110 LYS HB3 . 11561 1 1155 . 1 1 110 110 LYS HG2 H 1 0.845 0.05 . 2 . . . A 110 LYS HG2 . 11561 1 1156 . 1 1 110 110 LYS HG3 H 1 1.046 0.05 . 2 . . . A 110 LYS HG3 . 11561 1 1157 . 1 1 110 110 LYS HE2 H 1 3.457 0.05 . 2 . . . A 110 LYS HE2 . 11561 1 1158 . 1 1 110 110 LYS C C 13 177.683 0.05 . 1 . . . A 110 LYS C . 11561 1 1159 . 1 1 110 110 LYS CA C 13 59.572 0.05 . 1 . . . A 110 LYS CA . 11561 1 1160 . 1 1 110 110 LYS CB C 13 32.545 0.05 . 1 . . . A 110 LYS CB . 11561 1 1161 . 1 1 110 110 LYS N N 15 118.38 0.05 . 1 . . . A 110 LYS N . 11561 1 1162 . 1 1 111 111 PHE H H 1 8.131 0.05 . 1 . . . A 111 PHE H . 11561 1 1163 . 1 1 111 111 PHE HA H 1 4.522 0.05 . 1 . . . A 111 PHE HA . 11561 1 1164 . 1 1 111 111 PHE HB2 H 1 3.494 0.05 . 2 . . . A 111 PHE HB2 . 11561 1 1165 . 1 1 111 111 PHE HB3 H 1 3.661 0.05 . 2 . . . A 111 PHE HB3 . 11561 1 1166 . 1 1 111 111 PHE HD1 H 1 7.031 0.05 . 3 . . . A 111 PHE HD1 . 11561 1 1167 . 1 1 111 111 PHE HE1 H 1 7.41 0.05 . 3 . . . A 111 PHE HE1 . 11561 1 1168 . 1 1 111 111 PHE C C 13 178.586 0.05 . 1 . . . A 111 PHE C . 11561 1 1169 . 1 1 111 111 PHE CA C 13 60.819 0.05 . 1 . . . A 111 PHE CA . 11561 1 1170 . 1 1 111 111 PHE CB C 13 39.78 0.05 . 1 . . . A 111 PHE CB . 11561 1 1171 . 1 1 111 111 PHE CD1 C 13 132.935 0.05 . 3 . . . A 111 PHE CD1 . 11561 1 1172 . 1 1 111 111 PHE CE1 C 13 130.751 0.05 . 3 . . . A 111 PHE CE1 . 11561 1 1173 . 1 1 111 111 PHE N N 15 119.297 0.05 . 1 . . . A 111 PHE N . 11561 1 1174 . 1 1 112 112 ILE H H 1 8.349 0.05 . 1 . . . A 112 ILE H . 11561 1 1175 . 1 1 112 112 ILE HA H 1 3.245 0.05 . 1 . . . A 112 ILE HA . 11561 1 1176 . 1 1 112 112 ILE HB H 1 2.221 0.05 . 1 . . . A 112 ILE HB . 11561 1 1177 . 1 1 112 112 ILE HG12 H 1 0.622 0.05 . 2 . . . A 112 ILE HG12 . 11561 1 1178 . 1 1 112 112 ILE HG21 H 1 0.703 0.05 . 1 . . . A 112 ILE HG21 . 11561 1 1179 . 1 1 112 112 ILE HG22 H 1 0.703 0.05 . 1 . . . A 112 ILE HG22 . 11561 1 1180 . 1 1 112 112 ILE HG23 H 1 0.703 0.05 . 1 . . . A 112 ILE HG23 . 11561 1 1181 . 1 1 112 112 ILE HD11 H 1 0.718 0.05 . 1 . . . A 112 ILE HD11 . 11561 1 1182 . 1 1 112 112 ILE HD12 H 1 0.718 0.05 . 1 . . . A 112 ILE HD12 . 11561 1 1183 . 1 1 112 112 ILE HD13 H 1 0.718 0.05 . 1 . . . A 112 ILE HD13 . 11561 1 1184 . 1 1 112 112 ILE C C 13 179.041 0.05 . 1 . . . A 112 ILE C . 11561 1 1185 . 1 1 112 112 ILE CA C 13 65.81 0.05 . 1 . . . A 112 ILE CA . 11561 1 1186 . 1 1 112 112 ILE CB C 13 38.53 0.05 . 1 . . . A 112 ILE CB . 11561 1 1187 . 1 1 112 112 ILE CG1 C 13 30.275 0.05 . 1 . . . A 112 ILE CG1 . 11561 1 1188 . 1 1 112 112 ILE CG2 C 13 17.468 0.05 . 1 . . . A 112 ILE CG2 . 11561 1 1189 . 1 1 112 112 ILE CD1 C 13 15.303 0.05 . 1 . . . A 112 ILE CD1 . 11561 1 1190 . 1 1 112 112 ILE N N 15 122.172 0.05 . 1 . . . A 112 ILE N . 11561 1 1191 . 1 1 113 113 ALA H H 1 8.846 0.05 . 1 . . . A 113 ALA H . 11561 1 1192 . 1 1 113 113 ALA HA H 1 3.793 0.05 . 1 . . . A 113 ALA HA . 11561 1 1193 . 1 1 113 113 ALA HB1 H 1 1.33 0.05 . 1 . . . A 113 ALA HB1 . 11561 1 1194 . 1 1 113 113 ALA HB2 H 1 1.33 0.05 . 1 . . . A 113 ALA HB2 . 11561 1 1195 . 1 1 113 113 ALA HB3 H 1 1.33 0.05 . 1 . . . A 113 ALA HB3 . 11561 1 1196 . 1 1 113 113 ALA C C 13 179.86 0.05 . 1 . . . A 113 ALA C . 11561 1 1197 . 1 1 113 113 ALA CA C 13 54.992 0.05 . 1 . . . A 113 ALA CA . 11561 1 1198 . 1 1 113 113 ALA CB C 13 18.249 0.05 . 1 . . . A 113 ALA CB . 11561 1 1199 . 1 1 113 113 ALA N N 15 124.002 0.05 . 1 . . . A 113 ALA N . 11561 1 1200 . 1 1 114 114 GLU H H 1 8.425 0.05 . 1 . . . A 114 GLU H . 11561 1 1201 . 1 1 114 114 GLU HA H 1 4.113 0.05 . 1 . . . A 114 GLU HA . 11561 1 1202 . 1 1 114 114 GLU HB2 H 1 2.077 0.05 . 2 . . . A 114 GLU HB2 . 11561 1 1203 . 1 1 114 114 GLU HB3 H 1 1.9 0.05 . 2 . . . A 114 GLU HB3 . 11561 1 1204 . 1 1 114 114 GLU HG2 H 1 2.543 0.05 . 2 . . . A 114 GLU HG2 . 11561 1 1205 . 1 1 114 114 GLU HG3 H 1 2.17 0.05 . 2 . . . A 114 GLU HG3 . 11561 1 1206 . 1 1 114 114 GLU C C 13 178.146 0.05 . 1 . . . A 114 GLU C . 11561 1 1207 . 1 1 114 114 GLU CA C 13 57.942 0.05 . 1 . . . A 114 GLU CA . 11561 1 1208 . 1 1 114 114 GLU CB C 13 29.151 0.05 . 1 . . . A 114 GLU CB . 11561 1 1209 . 1 1 114 114 GLU CG C 13 37.056 0.05 . 1 . . . A 114 GLU CG . 11561 1 1210 . 1 1 114 114 GLU N N 15 113.245 0.05 . 1 . . . A 114 GLU N . 11561 1 1211 . 1 1 115 115 ASN H H 1 7.25 0.05 . 1 . . . A 115 ASN H . 11561 1 1212 . 1 1 115 115 ASN HA H 1 4.762 0.05 . 1 . . . A 115 ASN HA . 11561 1 1213 . 1 1 115 115 ASN HB2 H 1 2.215 0.05 . 2 . . . A 115 ASN HB2 . 11561 1 1214 . 1 1 115 115 ASN HB3 H 1 1.913 0.05 . 2 . . . A 115 ASN HB3 . 11561 1 1215 . 1 1 115 115 ASN HD21 H 1 7.317 0.05 . 2 . . . A 115 ASN HD21 . 11561 1 1216 . 1 1 115 115 ASN HD22 H 1 7.597 0.05 . 2 . . . A 115 ASN HD22 . 11561 1 1217 . 1 1 115 115 ASN C C 13 174.244 0.05 . 1 . . . A 115 ASN C . 11561 1 1218 . 1 1 115 115 ASN CA C 13 53.803 0.05 . 1 . . . A 115 ASN CA . 11561 1 1219 . 1 1 115 115 ASN CB C 13 41.462 0.05 . 1 . . . A 115 ASN CB . 11561 1 1220 . 1 1 115 115 ASN N N 15 112.46 0.05 . 1 . . . A 115 ASN N . 11561 1 1221 . 1 1 115 115 ASN ND2 N 15 120.01 0.05 . 1 . . . A 115 ASN ND2 . 11561 1 1222 . 1 1 116 116 GLY H H 1 7.821 0.05 . 1 . . . A 116 GLY H . 11561 1 1223 . 1 1 116 116 GLY HA2 H 1 4.024 0.05 . 2 . . . A 116 GLY HA2 . 11561 1 1224 . 1 1 116 116 GLY HA3 H 1 3.693 0.05 . 2 . . . A 116 GLY HA3 . 11561 1 1225 . 1 1 116 116 GLY C C 13 172.92 0.05 . 1 . . . A 116 GLY C . 11561 1 1226 . 1 1 116 116 GLY CA C 13 43.725 0.05 . 1 . . . A 116 GLY CA . 11561 1 1227 . 1 1 116 116 GLY N N 15 107.793 0.05 . 1 . . . A 116 GLY N . 11561 1 1228 . 1 1 117 117 LYS H H 1 10.556 0.05 . 1 . . . A 117 LYS H . 11561 1 1229 . 1 1 117 117 LYS HA H 1 3.878 0.05 . 1 . . . A 117 LYS HA . 11561 1 1230 . 1 1 117 117 LYS HB2 H 1 2.118 0.05 . 2 . . . A 117 LYS HB2 . 11561 1 1231 . 1 1 117 117 LYS HB3 H 1 1.017 0.05 . 2 . . . A 117 LYS HB3 . 11561 1 1232 . 1 1 117 117 LYS C C 13 179.741 0.05 . 1 . . . A 117 LYS C . 11561 1 1233 . 1 1 117 117 LYS CA C 13 58.493 0.05 . 1 . . . A 117 LYS CA . 11561 1 1234 . 1 1 117 117 LYS CB C 13 33.522 0.05 . 1 . . . A 117 LYS CB . 11561 1 1235 . 1 1 117 117 LYS N N 15 125.46 0.05 . 1 . . . A 117 LYS N . 11561 1 1236 . 1 1 118 118 TYR H H 1 8.639 0.05 . 1 . . . A 118 TYR H . 11561 1 1237 . 1 1 118 118 TYR HA H 1 4.282 0.05 . 1 . . . A 118 TYR HA . 11561 1 1238 . 1 1 118 118 TYR HB2 H 1 2.561 0.05 . 2 . . . A 118 TYR HB2 . 11561 1 1239 . 1 1 118 118 TYR HB3 H 1 3.208 0.05 . 2 . . . A 118 TYR HB3 . 11561 1 1240 . 1 1 118 118 TYR HD1 H 1 7.331 0.05 . 3 . . . A 118 TYR HD1 . 11561 1 1241 . 1 1 118 118 TYR HE1 H 1 6.863 0.05 . 3 . . . A 118 TYR HE1 . 11561 1 1242 . 1 1 118 118 TYR C C 13 174.192 0.05 . 1 . . . A 118 TYR C . 11561 1 1243 . 1 1 118 118 TYR CA C 13 59.751 0.05 . 1 . . . A 118 TYR CA . 11561 1 1244 . 1 1 118 118 TYR CB C 13 37.472 0.05 . 1 . . . A 118 TYR CB . 11561 1 1245 . 1 1 118 118 TYR CD1 C 13 133.333 0.05 . 3 . . . A 118 TYR CD1 . 11561 1 1246 . 1 1 118 118 TYR CE1 C 13 118.316 0.05 . 3 . . . A 118 TYR CE1 . 11561 1 1247 . 1 1 118 118 TYR N N 15 114.816 0.05 . 1 . . . A 118 TYR N . 11561 1 1248 . 1 1 119 119 LYS H H 1 7.537 0.05 . 1 . . . A 119 LYS H . 11561 1 1249 . 1 1 119 119 LYS HA H 1 4.397 0.05 . 1 . . . A 119 LYS HA . 11561 1 1250 . 1 1 119 119 LYS HB2 H 1 1.761 0.05 . 2 . . . A 119 LYS HB2 . 11561 1 1251 . 1 1 119 119 LYS HB3 H 1 1.964 0.05 . 2 . . . A 119 LYS HB3 . 11561 1 1252 . 1 1 119 119 LYS C C 13 175.576 0.05 . 1 . . . A 119 LYS C . 11561 1 1253 . 1 1 119 119 LYS CA C 13 55.703 0.05 . 1 . . . A 119 LYS CA . 11561 1 1254 . 1 1 119 119 LYS CB C 13 28.88 0.05 . 1 . . . A 119 LYS CB . 11561 1 1255 . 1 1 119 119 LYS N N 15 119.003 0.05 . 1 . . . A 119 LYS N . 11561 1 1256 . 1 1 120 120 ALA H H 1 8.115 0.05 . 1 . . . A 120 ALA H . 11561 1 1257 . 1 1 120 120 ALA HA H 1 2.944 0.05 . 1 . . . A 120 ALA HA . 11561 1 1258 . 1 1 120 120 ALA HB1 H 1 0.865 0.05 . 1 . . . A 120 ALA HB1 . 11561 1 1259 . 1 1 120 120 ALA HB2 H 1 0.865 0.05 . 1 . . . A 120 ALA HB2 . 11561 1 1260 . 1 1 120 120 ALA HB3 H 1 0.865 0.05 . 1 . . . A 120 ALA HB3 . 11561 1 1261 . 1 1 120 120 ALA C C 13 174.234 0.05 . 1 . . . A 120 ALA C . 11561 1 1262 . 1 1 120 120 ALA CA C 13 52.655 0.05 . 1 . . . A 120 ALA CA . 11561 1 1263 . 1 1 120 120 ALA CB C 13 17.478 0.05 . 1 . . . A 120 ALA CB . 11561 1 1264 . 1 1 120 120 ALA N N 15 122.889 0.05 . 1 . . . A 120 ALA N . 11561 1 1265 . 1 1 121 121 ALA H H 1 7.292 0.05 . 1 . . . A 121 ALA H . 11561 1 1266 . 1 1 121 121 ALA HA H 1 3.955 0.05 . 1 . . . A 121 ALA HA . 11561 1 1267 . 1 1 121 121 ALA HB1 H 1 1.23 0.05 . 1 . . . A 121 ALA HB1 . 11561 1 1268 . 1 1 121 121 ALA HB2 H 1 1.23 0.05 . 1 . . . A 121 ALA HB2 . 11561 1 1269 . 1 1 121 121 ALA HB3 H 1 1.23 0.05 . 1 . . . A 121 ALA HB3 . 11561 1 1270 . 1 1 121 121 ALA C C 13 182.25 0.05 . 1 . . . A 121 ALA C . 11561 1 1271 . 1 1 121 121 ALA CA C 13 53.767 0.05 . 1 . . . A 121 ALA CA . 11561 1 1272 . 1 1 121 121 ALA CB C 13 21.409 0.05 . 1 . . . A 121 ALA CB . 11561 1 1273 . 1 1 121 121 ALA N N 15 131.17 0.05 . 1 . . . A 121 ALA N . 11561 1 stop_ save_