data_11212 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11212 _Entry.Title ; Solution structure of the first ig-like domain of Myosin-binding protein C, slow-type ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 X. Qin . . . 11212 2 T. Nagashima . . . 11212 3 F. Hayashi . . . 11212 4 S. Yokoyama . . . 11212 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11212 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11212 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 11212 '15N chemical shifts' 114 11212 '1H chemical shifts' 865 11212 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 . . 2011-07-21 2010-07-22 original author . 11212 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAV 'BMRB Entry Tracking System' 11212 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11212 _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 ; Solution structure of the first ig-like domain of Myosin-binding protein C, slow-type ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 X. Qin . . . 11212 1 2 T. Nagashima . . . 11212 1 3 F. Hayashi . . . 11212 1 4 S. Yokoyama . . . 11212 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11212 _Assembly.ID 1 _Assembly.Name 'Myosin-binding protein C, slow-type' _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 'IG domain of Myosin-binding protein C, slow-type' 1 $entity_1 A . yes native no no . . . 11212 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dav . . . . . . 11212 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11212 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IG domain' _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 ; GSSGSSGILFIEKPQGGTVK VGEDITFIAKVKAEDLLRKP TIKWFKGKWMDLASKAGKHL QLKETFERHSRVYTFEMQII KAKDNFAGNYRCEVTYKDKF DSCSFDLEVHESTGTTPNID SGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DAV . "Solution Structure Of The First Ig-Like Domain Of Myosin- Binding Protein C, Slow-Type" . . . . . 100.00 126 100.00 100.00 1.08e-86 . . . . 11212 1 2 no DBJ BAF85665 . "unnamed protein product [Homo sapiens]" . . . . . 89.68 1148 100.00 100.00 2.58e-70 . . . . 11212 1 3 no DBJ BAG51755 . "unnamed protein product [Homo sapiens]" . . . . . 89.68 467 100.00 100.00 3.27e-74 . . . . 11212 1 4 no DBJ BAG59277 . "unnamed protein product [Homo sapiens]" . . . . . 89.68 1173 99.12 100.00 1.87e-69 . . . . 11212 1 5 no DBJ BAH13954 . "unnamed protein product [Homo sapiens]" . . . . . 89.68 1139 100.00 100.00 3.97e-70 . . . . 11212 1 6 no EMBL CAD38625 . "hypothetical protein [Homo sapiens]" . . . . . 89.68 1148 100.00 100.00 2.58e-70 . . . . 11212 1 7 no EMBL CAD38925 . "hypothetical protein [Homo sapiens]" . . . . . 89.68 1148 100.00 100.00 2.63e-70 . . . . 11212 1 8 no EMBL CAD89907 . "hypothetical protein [Homo sapiens]" . . . . . 89.68 1171 100.00 100.00 3.26e-70 . . . . 11212 1 9 no EMBL CAD89927 . "hypothetical protein [Homo sapiens]" . . . . . 89.68 1171 100.00 100.00 3.36e-70 . . . . 11212 1 10 no EMBL CAD91144 . "hypothetical protein [Homo sapiens]" . . . . . 89.68 1171 100.00 100.00 3.33e-70 . . . . 11212 1 11 no GB AAI43504 . "MYBPC1 protein [Homo sapiens]" . . . . . 89.68 1146 100.00 100.00 3.55e-70 . . . . 11212 1 12 no GB AAI43505 . "MYBPC1 protein [Homo sapiens]" . . . . . 89.68 1134 100.00 100.00 3.33e-70 . . . . 11212 1 13 no GB ACE86664 . "myosin binding protein C, slow type protein [synthetic construct]" . . . . . 89.68 1171 100.00 100.00 3.36e-70 . . . . 11212 1 14 no GB ACE87348 . "myosin binding protein C, slow type protein [synthetic construct]" . . . . . 89.68 1171 100.00 100.00 3.36e-70 . . . . 11212 1 15 no GB EAW97664 . "myosin binding protein C, slow type, isoform CRA_b [Homo sapiens]" . . . . . 89.68 1164 100.00 100.00 3.57e-70 . . . . 11212 1 16 no REF NP_001241647 . "myosin-binding protein C, slow-type isoform 5 [Homo sapiens]" . . . . . 89.68 1173 100.00 100.00 3.11e-70 . . . . 11212 1 17 no REF NP_001241648 . "myosin-binding protein C, slow-type isoform 6 [Homo sapiens]" . . . . . 89.68 1146 100.00 100.00 3.55e-70 . . . . 11212 1 18 no REF NP_001241649 . "myosin-binding protein C, slow-type isoform 7 [Homo sapiens]" . . . . . 89.68 1134 100.00 100.00 3.33e-70 . . . . 11212 1 19 no REF NP_002456 . "myosin-binding protein C, slow-type isoform 1 [Homo sapiens]" . . . . . 89.68 1171 100.00 100.00 3.26e-70 . . . . 11212 1 20 no REF NP_996555 . "myosin-binding protein C, slow-type isoform 2 [Homo sapiens]" . . . . . 89.68 1148 100.00 100.00 2.51e-70 . . . . 11212 1 21 no SP Q00872 . "RecName: Full=Myosin-binding protein C, slow-type; Short=Slow MyBP-C; AltName: Full=C-protein, skeletal muscle slow isoform" . . . . . 89.68 1141 100.00 100.00 2.43e-70 . . . . 11212 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IG domain' . 11212 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11212 1 2 . SER . 11212 1 3 . SER . 11212 1 4 . GLY . 11212 1 5 . SER . 11212 1 6 . SER . 11212 1 7 . GLY . 11212 1 8 . ILE . 11212 1 9 . LEU . 11212 1 10 . PHE . 11212 1 11 . ILE . 11212 1 12 . GLU . 11212 1 13 . LYS . 11212 1 14 . PRO . 11212 1 15 . GLN . 11212 1 16 . GLY . 11212 1 17 . GLY . 11212 1 18 . THR . 11212 1 19 . VAL . 11212 1 20 . LYS . 11212 1 21 . VAL . 11212 1 22 . GLY . 11212 1 23 . GLU . 11212 1 24 . ASP . 11212 1 25 . ILE . 11212 1 26 . THR . 11212 1 27 . PHE . 11212 1 28 . ILE . 11212 1 29 . ALA . 11212 1 30 . LYS . 11212 1 31 . VAL . 11212 1 32 . LYS . 11212 1 33 . ALA . 11212 1 34 . GLU . 11212 1 35 . ASP . 11212 1 36 . LEU . 11212 1 37 . LEU . 11212 1 38 . ARG . 11212 1 39 . LYS . 11212 1 40 . PRO . 11212 1 41 . THR . 11212 1 42 . ILE . 11212 1 43 . LYS . 11212 1 44 . TRP . 11212 1 45 . PHE . 11212 1 46 . LYS . 11212 1 47 . GLY . 11212 1 48 . LYS . 11212 1 49 . TRP . 11212 1 50 . MET . 11212 1 51 . ASP . 11212 1 52 . LEU . 11212 1 53 . ALA . 11212 1 54 . SER . 11212 1 55 . LYS . 11212 1 56 . ALA . 11212 1 57 . GLY . 11212 1 58 . LYS . 11212 1 59 . HIS . 11212 1 60 . LEU . 11212 1 61 . GLN . 11212 1 62 . LEU . 11212 1 63 . LYS . 11212 1 64 . GLU . 11212 1 65 . THR . 11212 1 66 . PHE . 11212 1 67 . GLU . 11212 1 68 . ARG . 11212 1 69 . HIS . 11212 1 70 . SER . 11212 1 71 . ARG . 11212 1 72 . VAL . 11212 1 73 . TYR . 11212 1 74 . THR . 11212 1 75 . PHE . 11212 1 76 . GLU . 11212 1 77 . MET . 11212 1 78 . GLN . 11212 1 79 . ILE . 11212 1 80 . ILE . 11212 1 81 . LYS . 11212 1 82 . ALA . 11212 1 83 . LYS . 11212 1 84 . ASP . 11212 1 85 . ASN . 11212 1 86 . PHE . 11212 1 87 . ALA . 11212 1 88 . GLY . 11212 1 89 . ASN . 11212 1 90 . TYR . 11212 1 91 . ARG . 11212 1 92 . CYS . 11212 1 93 . GLU . 11212 1 94 . VAL . 11212 1 95 . THR . 11212 1 96 . TYR . 11212 1 97 . LYS . 11212 1 98 . ASP . 11212 1 99 . LYS . 11212 1 100 . PHE . 11212 1 101 . ASP . 11212 1 102 . SER . 11212 1 103 . CYS . 11212 1 104 . SER . 11212 1 105 . PHE . 11212 1 106 . ASP . 11212 1 107 . LEU . 11212 1 108 . GLU . 11212 1 109 . VAL . 11212 1 110 . HIS . 11212 1 111 . GLU . 11212 1 112 . SER . 11212 1 113 . THR . 11212 1 114 . GLY . 11212 1 115 . THR . 11212 1 116 . THR . 11212 1 117 . PRO . 11212 1 118 . ASN . 11212 1 119 . ILE . 11212 1 120 . ASP . 11212 1 121 . SER . 11212 1 122 . GLY . 11212 1 123 . PRO . 11212 1 124 . SER . 11212 1 125 . SER . 11212 1 126 . GLY . 11212 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 11212 1 . SER 2 2 11212 1 . SER 3 3 11212 1 . GLY 4 4 11212 1 . SER 5 5 11212 1 . SER 6 6 11212 1 . GLY 7 7 11212 1 . ILE 8 8 11212 1 . LEU 9 9 11212 1 . PHE 10 10 11212 1 . ILE 11 11 11212 1 . GLU 12 12 11212 1 . LYS 13 13 11212 1 . PRO 14 14 11212 1 . GLN 15 15 11212 1 . GLY 16 16 11212 1 . GLY 17 17 11212 1 . THR 18 18 11212 1 . VAL 19 19 11212 1 . LYS 20 20 11212 1 . VAL 21 21 11212 1 . GLY 22 22 11212 1 . GLU 23 23 11212 1 . ASP 24 24 11212 1 . ILE 25 25 11212 1 . THR 26 26 11212 1 . PHE 27 27 11212 1 . ILE 28 28 11212 1 . ALA 29 29 11212 1 . LYS 30 30 11212 1 . VAL 31 31 11212 1 . LYS 32 32 11212 1 . ALA 33 33 11212 1 . GLU 34 34 11212 1 . ASP 35 35 11212 1 . LEU 36 36 11212 1 . LEU 37 37 11212 1 . ARG 38 38 11212 1 . LYS 39 39 11212 1 . PRO 40 40 11212 1 . THR 41 41 11212 1 . ILE 42 42 11212 1 . LYS 43 43 11212 1 . TRP 44 44 11212 1 . PHE 45 45 11212 1 . LYS 46 46 11212 1 . GLY 47 47 11212 1 . LYS 48 48 11212 1 . TRP 49 49 11212 1 . MET 50 50 11212 1 . ASP 51 51 11212 1 . LEU 52 52 11212 1 . ALA 53 53 11212 1 . SER 54 54 11212 1 . LYS 55 55 11212 1 . ALA 56 56 11212 1 . GLY 57 57 11212 1 . LYS 58 58 11212 1 . HIS 59 59 11212 1 . LEU 60 60 11212 1 . GLN 61 61 11212 1 . LEU 62 62 11212 1 . LYS 63 63 11212 1 . GLU 64 64 11212 1 . THR 65 65 11212 1 . PHE 66 66 11212 1 . GLU 67 67 11212 1 . ARG 68 68 11212 1 . HIS 69 69 11212 1 . SER 70 70 11212 1 . ARG 71 71 11212 1 . VAL 72 72 11212 1 . TYR 73 73 11212 1 . THR 74 74 11212 1 . PHE 75 75 11212 1 . GLU 76 76 11212 1 . MET 77 77 11212 1 . GLN 78 78 11212 1 . ILE 79 79 11212 1 . ILE 80 80 11212 1 . LYS 81 81 11212 1 . ALA 82 82 11212 1 . LYS 83 83 11212 1 . ASP 84 84 11212 1 . ASN 85 85 11212 1 . PHE 86 86 11212 1 . ALA 87 87 11212 1 . GLY 88 88 11212 1 . ASN 89 89 11212 1 . TYR 90 90 11212 1 . ARG 91 91 11212 1 . CYS 92 92 11212 1 . GLU 93 93 11212 1 . VAL 94 94 11212 1 . THR 95 95 11212 1 . TYR 96 96 11212 1 . LYS 97 97 11212 1 . ASP 98 98 11212 1 . LYS 99 99 11212 1 . PHE 100 100 11212 1 . ASP 101 101 11212 1 . SER 102 102 11212 1 . CYS 103 103 11212 1 . SER 104 104 11212 1 . PHE 105 105 11212 1 . ASP 106 106 11212 1 . LEU 107 107 11212 1 . GLU 108 108 11212 1 . VAL 109 109 11212 1 . HIS 110 110 11212 1 . GLU 111 111 11212 1 . SER 112 112 11212 1 . THR 113 113 11212 1 . GLY 114 114 11212 1 . THR 115 115 11212 1 . THR 116 116 11212 1 . PRO 117 117 11212 1 . ASN 118 118 11212 1 . ILE 119 119 11212 1 . ASP 120 120 11212 1 . SER 121 121 11212 1 . GLY 122 122 11212 1 . PRO 123 123 11212 1 . SER 124 124 11212 1 . SER 125 125 11212 1 . GLY 126 126 11212 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 11212 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11212 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 11212 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050302-60 . . . . . . 11212 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11212 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.32mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'IG domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.32 . . mM . . . . 11212 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11212 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11212 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11212 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11212 1 6 H2O . . . . . . solvent 90 . . % . . . . 11212 1 7 D2O . . . . . . solvent 10 . . % . . . . 11212 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11212 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11212 1 pH 7.0 0.05 pH 11212 1 pressure 1 0.001 atm 11212 1 temperature 293 0.1 K 11212 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11212 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11212 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11212 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11212 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11212 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11212 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11212 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11212 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11212 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11212 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11212 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11212 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11212 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11212 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11212 5 'structure solution' 11212 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11212 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11212 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11212 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11212 1 2 spectrometer_2 Varian INOVA . 900 . . . 11212 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 11212 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11212 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11212 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11212 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11212 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11212 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11212 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11212 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11212 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11212 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11212 1 2 $NMRPipe . . 11212 1 3 $NMRView . . 11212 1 4 $Kujira . . 11212 1 5 $CYANA . . 11212 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 6 6 SER HA H 1 4.555 0.030 . 1 . . . . 6 SER HA . 11212 1 2 . 1 1 6 6 SER HB2 H 1 4.005 0.030 . 2 . . . . 6 SER HB2 . 11212 1 3 . 1 1 6 6 SER HB3 H 1 3.951 0.030 . 2 . . . . 6 SER HB3 . 11212 1 4 . 1 1 6 6 SER CA C 13 58.638 0.300 . 1 . . . . 6 SER CA . 11212 1 5 . 1 1 6 6 SER CB C 13 64.062 0.300 . 1 . . . . 6 SER CB . 11212 1 6 . 1 1 7 7 GLY H H 1 8.613 0.030 . 1 . . . . 7 GLY H . 11212 1 7 . 1 1 7 7 GLY HA2 H 1 4.194 0.030 . 1 . . . . 7 GLY HA2 . 11212 1 8 . 1 1 7 7 GLY HA3 H 1 4.194 0.030 . 1 . . . . 7 GLY HA3 . 11212 1 9 . 1 1 7 7 GLY C C 13 173.347 0.300 . 1 . . . . 7 GLY C . 11212 1 10 . 1 1 7 7 GLY CA C 13 45.323 0.300 . 1 . . . . 7 GLY CA . 11212 1 11 . 1 1 7 7 GLY N N 15 111.097 0.300 . 1 . . . . 7 GLY N . 11212 1 12 . 1 1 8 8 ILE H H 1 8.165 0.030 . 1 . . . . 8 ILE H . 11212 1 13 . 1 1 8 8 ILE HA H 1 4.190 0.030 . 1 . . . . 8 ILE HA . 11212 1 14 . 1 1 8 8 ILE HB H 1 1.836 0.030 . 1 . . . . 8 ILE HB . 11212 1 15 . 1 1 8 8 ILE HD11 H 1 0.853 0.030 . 1 . . . . 8 ILE HD1 . 11212 1 16 . 1 1 8 8 ILE HD12 H 1 0.853 0.030 . 1 . . . . 8 ILE HD1 . 11212 1 17 . 1 1 8 8 ILE HD13 H 1 0.853 0.030 . 1 . . . . 8 ILE HD1 . 11212 1 18 . 1 1 8 8 ILE HG12 H 1 1.484 0.030 . 2 . . . . 8 ILE HG12 . 11212 1 19 . 1 1 8 8 ILE HG13 H 1 1.199 0.030 . 2 . . . . 8 ILE HG13 . 11212 1 20 . 1 1 8 8 ILE HG21 H 1 0.889 0.030 . 1 . . . . 8 ILE HG2 . 11212 1 21 . 1 1 8 8 ILE HG22 H 1 0.889 0.030 . 1 . . . . 8 ILE HG2 . 11212 1 22 . 1 1 8 8 ILE HG23 H 1 0.889 0.030 . 1 . . . . 8 ILE HG2 . 11212 1 23 . 1 1 8 8 ILE CA C 13 61.364 0.300 . 1 . . . . 8 ILE CA . 11212 1 24 . 1 1 8 8 ILE CB C 13 38.432 0.300 . 1 . . . . 8 ILE CB . 11212 1 25 . 1 1 8 8 ILE CD1 C 13 13.053 0.300 . 1 . . . . 8 ILE CD1 . 11212 1 26 . 1 1 8 8 ILE CG1 C 13 27.443 0.300 . 1 . . . . 8 ILE CG1 . 11212 1 27 . 1 1 8 8 ILE CG2 C 13 17.502 0.300 . 1 . . . . 8 ILE CG2 . 11212 1 28 . 1 1 8 8 ILE N N 15 120.091 0.300 . 1 . . . . 8 ILE N . 11212 1 29 . 1 1 9 9 LEU H H 1 9.307 0.030 . 1 . . . . 9 LEU H . 11212 1 30 . 1 1 9 9 LEU HA H 1 4.584 0.030 . 1 . . . . 9 LEU HA . 11212 1 31 . 1 1 9 9 LEU HB2 H 1 2.705 0.030 . 2 . . . . 9 LEU HB2 . 11212 1 32 . 1 1 9 9 LEU HB3 H 1 2.088 0.030 . 2 . . . . 9 LEU HB3 . 11212 1 33 . 1 1 9 9 LEU HD11 H 1 0.757 0.030 . 1 . . . . 9 LEU HD1 . 11212 1 34 . 1 1 9 9 LEU HD12 H 1 0.757 0.030 . 1 . . . . 9 LEU HD1 . 11212 1 35 . 1 1 9 9 LEU HD13 H 1 0.757 0.030 . 1 . . . . 9 LEU HD1 . 11212 1 36 . 1 1 9 9 LEU HD21 H 1 0.906 0.030 . 1 . . . . 9 LEU HD2 . 11212 1 37 . 1 1 9 9 LEU HD22 H 1 0.906 0.030 . 1 . . . . 9 LEU HD2 . 11212 1 38 . 1 1 9 9 LEU HD23 H 1 0.906 0.030 . 1 . . . . 9 LEU HD2 . 11212 1 39 . 1 1 9 9 LEU HG H 1 1.450 0.030 . 1 . . . . 9 LEU HG . 11212 1 40 . 1 1 9 9 LEU C C 13 176.194 0.300 . 1 . . . . 9 LEU C . 11212 1 41 . 1 1 9 9 LEU CA C 13 54.942 0.300 . 1 . . . . 9 LEU CA . 11212 1 42 . 1 1 9 9 LEU CD1 C 13 25.942 0.300 . 2 . . . . 9 LEU CD1 . 11212 1 43 . 1 1 9 9 LEU CD2 C 13 24.038 0.300 . 2 . . . . 9 LEU CD2 . 11212 1 44 . 1 1 9 9 LEU CG C 13 26.945 0.300 . 1 . . . . 9 LEU CG . 11212 1 45 . 1 1 10 10 PHE H H 1 8.076 0.030 . 1 . . . . 10 PHE H . 11212 1 46 . 1 1 10 10 PHE HA H 1 4.706 0.030 . 1 . . . . 10 PHE HA . 11212 1 47 . 1 1 10 10 PHE HB2 H 1 2.806 0.030 . 1 . . . . 10 PHE HB2 . 11212 1 48 . 1 1 10 10 PHE HB3 H 1 2.806 0.030 . 1 . . . . 10 PHE HB3 . 11212 1 49 . 1 1 10 10 PHE HD1 H 1 7.298 0.030 . 1 . . . . 10 PHE HD1 . 11212 1 50 . 1 1 10 10 PHE HD2 H 1 7.298 0.030 . 1 . . . . 10 PHE HD2 . 11212 1 51 . 1 1 10 10 PHE HE1 H 1 6.848 0.030 . 1 . . . . 10 PHE HE1 . 11212 1 52 . 1 1 10 10 PHE HE2 H 1 6.848 0.030 . 1 . . . . 10 PHE HE2 . 11212 1 53 . 1 1 10 10 PHE C C 13 175.170 0.300 . 1 . . . . 10 PHE C . 11212 1 54 . 1 1 10 10 PHE CA C 13 53.420 0.300 . 1 . . . . 10 PHE CA . 11212 1 55 . 1 1 10 10 PHE CB C 13 39.413 0.300 . 1 . . . . 10 PHE CB . 11212 1 56 . 1 1 10 10 PHE CD1 C 13 132.015 0.300 . 1 . . . . 10 PHE CD1 . 11212 1 57 . 1 1 10 10 PHE CD2 C 13 132.015 0.300 . 1 . . . . 10 PHE CD2 . 11212 1 58 . 1 1 10 10 PHE CE1 C 13 130.481 0.300 . 1 . . . . 10 PHE CE1 . 11212 1 59 . 1 1 10 10 PHE CE2 C 13 130.481 0.300 . 1 . . . . 10 PHE CE2 . 11212 1 60 . 1 1 11 11 ILE H H 1 8.243 0.030 . 1 . . . . 11 ILE H . 11212 1 61 . 1 1 11 11 ILE HA H 1 4.301 0.030 . 1 . . . . 11 ILE HA . 11212 1 62 . 1 1 11 11 ILE HB H 1 1.814 0.030 . 1 . . . . 11 ILE HB . 11212 1 63 . 1 1 11 11 ILE HD11 H 1 0.868 0.030 . 1 . . . . 11 ILE HD1 . 11212 1 64 . 1 1 11 11 ILE HD12 H 1 0.868 0.030 . 1 . . . . 11 ILE HD1 . 11212 1 65 . 1 1 11 11 ILE HD13 H 1 0.868 0.030 . 1 . . . . 11 ILE HD1 . 11212 1 66 . 1 1 11 11 ILE HG12 H 1 1.439 0.030 . 1 . . . . 11 ILE HG12 . 11212 1 67 . 1 1 11 11 ILE HG13 H 1 1.439 0.030 . 1 . . . . 11 ILE HG13 . 11212 1 68 . 1 1 11 11 ILE HG21 H 1 0.992 0.030 . 1 . . . . 11 ILE HG2 . 11212 1 69 . 1 1 11 11 ILE HG22 H 1 0.992 0.030 . 1 . . . . 11 ILE HG2 . 11212 1 70 . 1 1 11 11 ILE HG23 H 1 0.992 0.030 . 1 . . . . 11 ILE HG2 . 11212 1 71 . 1 1 11 11 ILE C C 13 175.861 0.300 . 1 . . . . 11 ILE C . 11212 1 72 . 1 1 11 11 ILE CA C 13 62.072 0.300 . 1 . . . . 11 ILE CA . 11212 1 73 . 1 1 11 11 ILE CB C 13 38.429 0.300 . 1 . . . . 11 ILE CB . 11212 1 74 . 1 1 11 11 ILE CD1 C 13 13.960 0.300 . 1 . . . . 11 ILE CD1 . 11212 1 75 . 1 1 11 11 ILE CG1 C 13 27.796 0.300 . 1 . . . . 11 ILE CG1 . 11212 1 76 . 1 1 11 11 ILE CG2 C 13 17.738 0.300 . 1 . . . . 11 ILE CG2 . 11212 1 77 . 1 1 11 11 ILE N N 15 121.534 0.300 . 1 . . . . 11 ILE N . 11212 1 78 . 1 1 12 12 GLU H H 1 7.541 0.030 . 1 . . . . 12 GLU H . 11212 1 79 . 1 1 12 12 GLU HA H 1 4.542 0.030 . 1 . . . . 12 GLU HA . 11212 1 80 . 1 1 12 12 GLU HB2 H 1 1.877 0.030 . 2 . . . . 12 GLU HB2 . 11212 1 81 . 1 1 12 12 GLU HB3 H 1 1.780 0.030 . 2 . . . . 12 GLU HB3 . 11212 1 82 . 1 1 12 12 GLU HG2 H 1 2.222 0.030 . 2 . . . . 12 GLU HG2 . 11212 1 83 . 1 1 12 12 GLU HG3 H 1 2.170 0.030 . 2 . . . . 12 GLU HG3 . 11212 1 84 . 1 1 12 12 GLU C C 13 174.658 0.300 . 1 . . . . 12 GLU C . 11212 1 85 . 1 1 12 12 GLU CA C 13 56.493 0.300 . 1 . . . . 12 GLU CA . 11212 1 86 . 1 1 12 12 GLU CB C 13 33.428 0.300 . 1 . . . . 12 GLU CB . 11212 1 87 . 1 1 12 12 GLU CG C 13 36.076 0.300 . 1 . . . . 12 GLU CG . 11212 1 88 . 1 1 13 13 LYS H H 1 8.748 0.030 . 1 . . . . 13 LYS H . 11212 1 89 . 1 1 13 13 LYS HA H 1 4.504 0.030 . 1 . . . . 13 LYS HA . 11212 1 90 . 1 1 13 13 LYS HB2 H 1 1.564 0.030 . 2 . . . . 13 LYS HB2 . 11212 1 91 . 1 1 13 13 LYS HB3 H 1 1.399 0.030 . 2 . . . . 13 LYS HB3 . 11212 1 92 . 1 1 13 13 LYS HD2 H 1 1.538 0.030 . 1 . . . . 13 LYS HD2 . 11212 1 93 . 1 1 13 13 LYS HD3 H 1 1.538 0.030 . 1 . . . . 13 LYS HD3 . 11212 1 94 . 1 1 13 13 LYS HE2 H 1 2.806 0.030 . 1 . . . . 13 LYS HE2 . 11212 1 95 . 1 1 13 13 LYS HE3 H 1 2.806 0.030 . 1 . . . . 13 LYS HE3 . 11212 1 96 . 1 1 13 13 LYS HG2 H 1 1.197 0.030 . 2 . . . . 13 LYS HG2 . 11212 1 97 . 1 1 13 13 LYS HG3 H 1 0.779 0.030 . 2 . . . . 13 LYS HG3 . 11212 1 98 . 1 1 13 13 LYS C C 13 173.630 0.300 . 1 . . . . 13 LYS C . 11212 1 99 . 1 1 13 13 LYS CA C 13 53.300 0.300 . 1 . . . . 13 LYS CA . 11212 1 100 . 1 1 13 13 LYS CB C 13 33.359 0.300 . 1 . . . . 13 LYS CB . 11212 1 101 . 1 1 13 13 LYS CD C 13 29.623 0.300 . 1 . . . . 13 LYS CD . 11212 1 102 . 1 1 13 13 LYS CE C 13 42.014 0.300 . 1 . . . . 13 LYS CE . 11212 1 103 . 1 1 13 13 LYS CG C 13 24.877 0.300 . 1 . . . . 13 LYS CG . 11212 1 104 . 1 1 13 13 LYS N N 15 124.842 0.300 . 1 . . . . 13 LYS N . 11212 1 105 . 1 1 14 14 PRO HA H 1 4.615 0.030 . 1 . . . . 14 PRO HA . 11212 1 106 . 1 1 14 14 PRO HB2 H 1 1.609 0.030 . 2 . . . . 14 PRO HB2 . 11212 1 107 . 1 1 14 14 PRO HB3 H 1 0.741 0.030 . 2 . . . . 14 PRO HB3 . 11212 1 108 . 1 1 14 14 PRO HD2 H 1 3.288 0.030 . 2 . . . . 14 PRO HD2 . 11212 1 109 . 1 1 14 14 PRO HD3 H 1 3.311 0.030 . 2 . . . . 14 PRO HD3 . 11212 1 110 . 1 1 14 14 PRO HG2 H 1 1.693 0.030 . 1 . . . . 14 PRO HG2 . 11212 1 111 . 1 1 14 14 PRO HG3 H 1 1.693 0.030 . 1 . . . . 14 PRO HG3 . 11212 1 112 . 1 1 14 14 PRO C C 13 175.095 0.300 . 1 . . . . 14 PRO C . 11212 1 113 . 1 1 14 14 PRO CA C 13 62.266 0.300 . 1 . . . . 14 PRO CA . 11212 1 114 . 1 1 14 14 PRO CB C 13 31.717 0.300 . 1 . . . . 14 PRO CB . 11212 1 115 . 1 1 14 14 PRO CD C 13 49.847 0.300 . 1 . . . . 14 PRO CD . 11212 1 116 . 1 1 14 14 PRO CG C 13 28.016 0.300 . 1 . . . . 14 PRO CG . 11212 1 117 . 1 1 15 15 GLN H H 1 8.361 0.030 . 1 . . . . 15 GLN H . 11212 1 118 . 1 1 15 15 GLN HA H 1 4.583 0.030 . 1 . . . . 15 GLN HA . 11212 1 119 . 1 1 15 15 GLN HB2 H 1 2.276 0.030 . 2 . . . . 15 GLN HB2 . 11212 1 120 . 1 1 15 15 GLN HB3 H 1 2.007 0.030 . 2 . . . . 15 GLN HB3 . 11212 1 121 . 1 1 15 15 GLN HE21 H 1 7.611 0.030 . 2 . . . . 15 GLN HE21 . 11212 1 122 . 1 1 15 15 GLN HE22 H 1 6.920 0.030 . 2 . . . . 15 GLN HE22 . 11212 1 123 . 1 1 15 15 GLN HG2 H 1 2.521 0.030 . 1 . . . . 15 GLN HG2 . 11212 1 124 . 1 1 15 15 GLN HG3 H 1 2.521 0.030 . 1 . . . . 15 GLN HG3 . 11212 1 125 . 1 1 15 15 GLN C C 13 175.993 0.300 . 1 . . . . 15 GLN C . 11212 1 126 . 1 1 15 15 GLN CA C 13 53.785 0.300 . 1 . . . . 15 GLN CA . 11212 1 127 . 1 1 15 15 GLN CB C 13 31.670 0.300 . 1 . . . . 15 GLN CB . 11212 1 128 . 1 1 15 15 GLN CG C 13 33.813 0.300 . 1 . . . . 15 GLN CG . 11212 1 129 . 1 1 15 15 GLN N N 15 120.155 0.300 . 1 . . . . 15 GLN N . 11212 1 130 . 1 1 15 15 GLN NE2 N 15 113.957 0.300 . 1 . . . . 15 GLN NE2 . 11212 1 131 . 1 1 16 16 GLY H H 1 8.414 0.030 . 1 . . . . 16 GLY H . 11212 1 132 . 1 1 16 16 GLY HA2 H 1 4.507 0.030 . 2 . . . . 16 GLY HA2 . 11212 1 133 . 1 1 16 16 GLY HA3 H 1 4.443 0.030 . 2 . . . . 16 GLY HA3 . 11212 1 134 . 1 1 16 16 GLY C C 13 173.684 0.300 . 1 . . . . 16 GLY C . 11212 1 135 . 1 1 16 16 GLY CA C 13 45.628 0.300 . 1 . . . . 16 GLY CA . 11212 1 136 . 1 1 16 16 GLY N N 15 107.142 0.300 . 1 . . . . 16 GLY N . 11212 1 137 . 1 1 17 17 GLY H H 1 8.410 0.030 . 1 . . . . 17 GLY H . 11212 1 138 . 1 1 17 17 GLY HA2 H 1 4.122 0.030 . 2 . . . . 17 GLY HA2 . 11212 1 139 . 1 1 17 17 GLY HA3 H 1 4.448 0.030 . 2 . . . . 17 GLY HA3 . 11212 1 140 . 1 1 17 17 GLY C C 13 171.813 0.300 . 1 . . . . 17 GLY C . 11212 1 141 . 1 1 17 17 GLY CA C 13 45.720 0.300 . 1 . . . . 17 GLY CA . 11212 1 142 . 1 1 17 17 GLY N N 15 104.979 0.300 . 1 . . . . 17 GLY N . 11212 1 143 . 1 1 18 18 THR H H 1 8.453 0.030 . 1 . . . . 18 THR H . 11212 1 144 . 1 1 18 18 THR HA H 1 5.341 0.030 . 1 . . . . 18 THR HA . 11212 1 145 . 1 1 18 18 THR HB H 1 3.692 0.030 . 1 . . . . 18 THR HB . 11212 1 146 . 1 1 18 18 THR HG21 H 1 0.868 0.030 . 1 . . . . 18 THR HG2 . 11212 1 147 . 1 1 18 18 THR HG22 H 1 0.868 0.030 . 1 . . . . 18 THR HG2 . 11212 1 148 . 1 1 18 18 THR HG23 H 1 0.868 0.030 . 1 . . . . 18 THR HG2 . 11212 1 149 . 1 1 18 18 THR C C 13 174.695 0.300 . 1 . . . . 18 THR C . 11212 1 150 . 1 1 18 18 THR CA C 13 60.333 0.300 . 1 . . . . 18 THR CA . 11212 1 151 . 1 1 18 18 THR CB C 13 71.280 0.300 . 1 . . . . 18 THR CB . 11212 1 152 . 1 1 18 18 THR CG2 C 13 21.013 0.300 . 1 . . . . 18 THR CG2 . 11212 1 153 . 1 1 18 18 THR N N 15 116.647 0.300 . 1 . . . . 18 THR N . 11212 1 154 . 1 1 19 19 VAL H H 1 8.693 0.030 . 1 . . . . 19 VAL H . 11212 1 155 . 1 1 19 19 VAL HA H 1 4.545 0.030 . 1 . . . . 19 VAL HA . 11212 1 156 . 1 1 19 19 VAL HB H 1 1.790 0.030 . 1 . . . . 19 VAL HB . 11212 1 157 . 1 1 19 19 VAL HG11 H 1 0.763 0.030 . 1 . . . . 19 VAL HG1 . 11212 1 158 . 1 1 19 19 VAL HG12 H 1 0.763 0.030 . 1 . . . . 19 VAL HG1 . 11212 1 159 . 1 1 19 19 VAL HG13 H 1 0.763 0.030 . 1 . . . . 19 VAL HG1 . 11212 1 160 . 1 1 19 19 VAL HG21 H 1 0.916 0.030 . 1 . . . . 19 VAL HG2 . 11212 1 161 . 1 1 19 19 VAL HG22 H 1 0.916 0.030 . 1 . . . . 19 VAL HG2 . 11212 1 162 . 1 1 19 19 VAL HG23 H 1 0.916 0.030 . 1 . . . . 19 VAL HG2 . 11212 1 163 . 1 1 19 19 VAL C C 13 172.217 0.300 . 1 . . . . 19 VAL C . 11212 1 164 . 1 1 19 19 VAL CA C 13 58.488 0.300 . 1 . . . . 19 VAL CA . 11212 1 165 . 1 1 19 19 VAL CB C 13 36.391 0.300 . 1 . . . . 19 VAL CB . 11212 1 166 . 1 1 19 19 VAL CG1 C 13 21.859 0.300 . 2 . . . . 19 VAL CG1 . 11212 1 167 . 1 1 19 19 VAL CG2 C 13 21.404 0.300 . 2 . . . . 19 VAL CG2 . 11212 1 168 . 1 1 19 19 VAL N N 15 123.957 0.300 . 1 . . . . 19 VAL N . 11212 1 169 . 1 1 20 20 LYS H H 1 8.339 0.030 . 1 . . . . 20 LYS H . 11212 1 170 . 1 1 20 20 LYS HA H 1 4.764 0.030 . 1 . . . . 20 LYS HA . 11212 1 171 . 1 1 20 20 LYS HB2 H 1 1.692 0.030 . 2 . . . . 20 LYS HB2 . 11212 1 172 . 1 1 20 20 LYS HB3 H 1 1.442 0.030 . 2 . . . . 20 LYS HB3 . 11212 1 173 . 1 1 20 20 LYS HD2 H 1 1.670 0.030 . 1 . . . . 20 LYS HD2 . 11212 1 174 . 1 1 20 20 LYS HD3 H 1 1.670 0.030 . 1 . . . . 20 LYS HD3 . 11212 1 175 . 1 1 20 20 LYS HE2 H 1 2.988 0.030 . 1 . . . . 20 LYS HE2 . 11212 1 176 . 1 1 20 20 LYS HE3 H 1 2.988 0.030 . 1 . . . . 20 LYS HE3 . 11212 1 177 . 1 1 20 20 LYS HG2 H 1 1.428 0.030 . 1 . . . . 20 LYS HG2 . 11212 1 178 . 1 1 20 20 LYS HG3 H 1 1.428 0.030 . 1 . . . . 20 LYS HG3 . 11212 1 179 . 1 1 20 20 LYS C C 13 176.815 0.300 . 1 . . . . 20 LYS C . 11212 1 180 . 1 1 20 20 LYS CA C 13 55.108 0.300 . 1 . . . . 20 LYS CA . 11212 1 181 . 1 1 20 20 LYS CB C 13 33.552 0.300 . 1 . . . . 20 LYS CB . 11212 1 182 . 1 1 20 20 LYS CD C 13 29.319 0.300 . 1 . . . . 20 LYS CD . 11212 1 183 . 1 1 20 20 LYS CE C 13 42.099 0.300 . 1 . . . . 20 LYS CE . 11212 1 184 . 1 1 20 20 LYS CG C 13 25.658 0.300 . 1 . . . . 20 LYS CG . 11212 1 185 . 1 1 20 20 LYS N N 15 126.046 0.300 . 1 . . . . 20 LYS N . 11212 1 186 . 1 1 21 21 VAL H H 1 8.034 0.030 . 1 . . . . 21 VAL H . 11212 1 187 . 1 1 21 21 VAL HA H 1 3.378 0.030 . 1 . . . . 21 VAL HA . 11212 1 188 . 1 1 21 21 VAL HB H 1 1.884 0.030 . 1 . . . . 21 VAL HB . 11212 1 189 . 1 1 21 21 VAL HG11 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 11212 1 190 . 1 1 21 21 VAL HG12 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 11212 1 191 . 1 1 21 21 VAL HG13 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 11212 1 192 . 1 1 21 21 VAL HG21 H 1 0.988 0.030 . 1 . . . . 21 VAL HG2 . 11212 1 193 . 1 1 21 21 VAL HG22 H 1 0.988 0.030 . 1 . . . . 21 VAL HG2 . 11212 1 194 . 1 1 21 21 VAL HG23 H 1 0.988 0.030 . 1 . . . . 21 VAL HG2 . 11212 1 195 . 1 1 21 21 VAL C C 13 177.329 0.300 . 1 . . . . 21 VAL C . 11212 1 196 . 1 1 21 21 VAL CA C 13 64.472 0.300 . 1 . . . . 21 VAL CA . 11212 1 197 . 1 1 21 21 VAL CB C 13 32.092 0.300 . 1 . . . . 21 VAL CB . 11212 1 198 . 1 1 21 21 VAL CG1 C 13 22.893 0.300 . 2 . . . . 21 VAL CG1 . 11212 1 199 . 1 1 21 21 VAL CG2 C 13 21.244 0.300 . 2 . . . . 21 VAL CG2 . 11212 1 200 . 1 1 21 21 VAL N N 15 120.504 0.300 . 1 . . . . 21 VAL N . 11212 1 201 . 1 1 22 22 GLY H H 1 9.649 0.030 . 1 . . . . 22 GLY H . 11212 1 202 . 1 1 22 22 GLY HA2 H 1 4.377 0.030 . 2 . . . . 22 GLY HA2 . 11212 1 203 . 1 1 22 22 GLY HA3 H 1 3.328 0.030 . 2 . . . . 22 GLY HA3 . 11212 1 204 . 1 1 22 22 GLY C C 13 174.200 0.300 . 1 . . . . 22 GLY C . 11212 1 205 . 1 1 22 22 GLY CA C 13 45.042 0.300 . 1 . . . . 22 GLY CA . 11212 1 206 . 1 1 22 22 GLY N N 15 114.367 0.300 . 1 . . . . 22 GLY N . 11212 1 207 . 1 1 23 23 GLU H H 1 8.285 0.030 . 1 . . . . 23 GLU H . 11212 1 208 . 1 1 23 23 GLU HA H 1 4.614 0.030 . 1 . . . . 23 GLU HA . 11212 1 209 . 1 1 23 23 GLU HB2 H 1 2.238 0.030 . 2 . . . . 23 GLU HB2 . 11212 1 210 . 1 1 23 23 GLU HB3 H 1 2.169 0.030 . 2 . . . . 23 GLU HB3 . 11212 1 211 . 1 1 23 23 GLU HG2 H 1 2.217 0.030 . 2 . . . . 23 GLU HG2 . 11212 1 212 . 1 1 23 23 GLU HG3 H 1 2.147 0.030 . 2 . . . . 23 GLU HG3 . 11212 1 213 . 1 1 23 23 GLU C C 13 173.853 0.300 . 1 . . . . 23 GLU C . 11212 1 214 . 1 1 23 23 GLU CA C 13 55.596 0.300 . 1 . . . . 23 GLU CA . 11212 1 215 . 1 1 23 23 GLU CB C 13 30.514 0.300 . 1 . . . . 23 GLU CB . 11212 1 216 . 1 1 23 23 GLU CG C 13 37.290 0.300 . 1 . . . . 23 GLU CG . 11212 1 217 . 1 1 23 23 GLU N N 15 122.484 0.300 . 1 . . . . 23 GLU N . 11212 1 218 . 1 1 24 24 ASP H H 1 8.019 0.030 . 1 . . . . 24 ASP H . 11212 1 219 . 1 1 24 24 ASP HA H 1 5.397 0.030 . 1 . . . . 24 ASP HA . 11212 1 220 . 1 1 24 24 ASP HB2 H 1 2.791 0.030 . 2 . . . . 24 ASP HB2 . 11212 1 221 . 1 1 24 24 ASP HB3 H 1 2.468 0.030 . 2 . . . . 24 ASP HB3 . 11212 1 222 . 1 1 24 24 ASP C C 13 176.235 0.300 . 1 . . . . 24 ASP C . 11212 1 223 . 1 1 24 24 ASP CA C 13 52.661 0.300 . 1 . . . . 24 ASP CA . 11212 1 224 . 1 1 24 24 ASP CB C 13 42.590 0.300 . 1 . . . . 24 ASP CB . 11212 1 225 . 1 1 24 24 ASP N N 15 117.716 0.300 . 1 . . . . 24 ASP N . 11212 1 226 . 1 1 25 25 ILE H H 1 8.811 0.030 . 1 . . . . 25 ILE H . 11212 1 227 . 1 1 25 25 ILE HA H 1 4.340 0.030 . 1 . . . . 25 ILE HA . 11212 1 228 . 1 1 25 25 ILE HB H 1 1.580 0.030 . 1 . . . . 25 ILE HB . 11212 1 229 . 1 1 25 25 ILE HD11 H 1 0.592 0.030 . 1 . . . . 25 ILE HD1 . 11212 1 230 . 1 1 25 25 ILE HD12 H 1 0.592 0.030 . 1 . . . . 25 ILE HD1 . 11212 1 231 . 1 1 25 25 ILE HD13 H 1 0.592 0.030 . 1 . . . . 25 ILE HD1 . 11212 1 232 . 1 1 25 25 ILE HG12 H 1 0.027 0.030 . 2 . . . . 25 ILE HG12 . 11212 1 233 . 1 1 25 25 ILE HG13 H 1 1.260 0.030 . 2 . . . . 25 ILE HG13 . 11212 1 234 . 1 1 25 25 ILE HG21 H 1 0.663 0.030 . 1 . . . . 25 ILE HG2 . 11212 1 235 . 1 1 25 25 ILE HG22 H 1 0.663 0.030 . 1 . . . . 25 ILE HG2 . 11212 1 236 . 1 1 25 25 ILE HG23 H 1 0.663 0.030 . 1 . . . . 25 ILE HG2 . 11212 1 237 . 1 1 25 25 ILE C C 13 170.863 0.300 . 1 . . . . 25 ILE C . 11212 1 238 . 1 1 25 25 ILE CA C 13 61.072 0.300 . 1 . . . . 25 ILE CA . 11212 1 239 . 1 1 25 25 ILE CB C 13 40.797 0.300 . 1 . . . . 25 ILE CB . 11212 1 240 . 1 1 25 25 ILE CD1 C 13 14.374 0.300 . 1 . . . . 25 ILE CD1 . 11212 1 241 . 1 1 25 25 ILE CG1 C 13 28.192 0.300 . 1 . . . . 25 ILE CG1 . 11212 1 242 . 1 1 25 25 ILE CG2 C 13 14.790 0.300 . 1 . . . . 25 ILE CG2 . 11212 1 243 . 1 1 25 25 ILE N N 15 119.963 0.300 . 1 . . . . 25 ILE N . 11212 1 244 . 1 1 26 26 THR H H 1 7.927 0.030 . 1 . . . . 26 THR H . 11212 1 245 . 1 1 26 26 THR HA H 1 4.869 0.030 . 1 . . . . 26 THR HA . 11212 1 246 . 1 1 26 26 THR HB H 1 3.659 0.030 . 1 . . . . 26 THR HB . 11212 1 247 . 1 1 26 26 THR HG21 H 1 0.970 0.030 . 1 . . . . 26 THR HG2 . 11212 1 248 . 1 1 26 26 THR HG22 H 1 0.970 0.030 . 1 . . . . 26 THR HG2 . 11212 1 249 . 1 1 26 26 THR HG23 H 1 0.970 0.030 . 1 . . . . 26 THR HG2 . 11212 1 250 . 1 1 26 26 THR C C 13 172.730 0.300 . 1 . . . . 26 THR C . 11212 1 251 . 1 1 26 26 THR CA C 13 61.045 0.300 . 1 . . . . 26 THR CA . 11212 1 252 . 1 1 26 26 THR CB C 13 70.826 0.300 . 1 . . . . 26 THR CB . 11212 1 253 . 1 1 26 26 THR CG2 C 13 22.522 0.300 . 1 . . . . 26 THR CG2 . 11212 1 254 . 1 1 26 26 THR N N 15 122.571 0.300 . 1 . . . . 26 THR N . 11212 1 255 . 1 1 27 27 PHE H H 1 9.071 0.030 . 1 . . . . 27 PHE H . 11212 1 256 . 1 1 27 27 PHE HA H 1 4.644 0.030 . 1 . . . . 27 PHE HA . 11212 1 257 . 1 1 27 27 PHE HB2 H 1 2.549 0.030 . 1 . . . . 27 PHE HB2 . 11212 1 258 . 1 1 27 27 PHE HB3 H 1 2.549 0.030 . 1 . . . . 27 PHE HB3 . 11212 1 259 . 1 1 27 27 PHE HD1 H 1 6.935 0.030 . 1 . . . . 27 PHE HD1 . 11212 1 260 . 1 1 27 27 PHE HD2 H 1 6.935 0.030 . 1 . . . . 27 PHE HD2 . 11212 1 261 . 1 1 27 27 PHE HE1 H 1 7.048 0.030 . 1 . . . . 27 PHE HE1 . 11212 1 262 . 1 1 27 27 PHE HE2 H 1 7.048 0.030 . 1 . . . . 27 PHE HE2 . 11212 1 263 . 1 1 27 27 PHE HZ H 1 7.033 0.030 . 1 . . . . 27 PHE HZ . 11212 1 264 . 1 1 27 27 PHE C C 13 174.077 0.300 . 1 . . . . 27 PHE C . 11212 1 265 . 1 1 27 27 PHE CA C 13 56.661 0.300 . 1 . . . . 27 PHE CA . 11212 1 266 . 1 1 27 27 PHE CB C 13 41.401 0.300 . 1 . . . . 27 PHE CB . 11212 1 267 . 1 1 27 27 PHE CD1 C 13 132.687 0.300 . 1 . . . . 27 PHE CD1 . 11212 1 268 . 1 1 27 27 PHE CD2 C 13 132.687 0.300 . 1 . . . . 27 PHE CD2 . 11212 1 269 . 1 1 27 27 PHE CE1 C 13 130.219 0.300 . 1 . . . . 27 PHE CE1 . 11212 1 270 . 1 1 27 27 PHE CE2 C 13 130.219 0.300 . 1 . . . . 27 PHE CE2 . 11212 1 271 . 1 1 27 27 PHE CZ C 13 128.422 0.300 . 1 . . . . 27 PHE CZ . 11212 1 272 . 1 1 27 27 PHE N N 15 127.155 0.300 . 1 . . . . 27 PHE N . 11212 1 273 . 1 1 28 28 ILE H H 1 8.410 0.030 . 1 . . . . 28 ILE H . 11212 1 274 . 1 1 28 28 ILE HA H 1 5.104 0.030 . 1 . . . . 28 ILE HA . 11212 1 275 . 1 1 28 28 ILE HB H 1 1.670 0.030 . 1 . . . . 28 ILE HB . 11212 1 276 . 1 1 28 28 ILE HD11 H 1 0.725 0.030 . 1 . . . . 28 ILE HD1 . 11212 1 277 . 1 1 28 28 ILE HD12 H 1 0.725 0.030 . 1 . . . . 28 ILE HD1 . 11212 1 278 . 1 1 28 28 ILE HD13 H 1 0.725 0.030 . 1 . . . . 28 ILE HD1 . 11212 1 279 . 1 1 28 28 ILE HG12 H 1 1.357 0.030 . 2 . . . . 28 ILE HG12 . 11212 1 280 . 1 1 28 28 ILE HG13 H 1 0.953 0.030 . 2 . . . . 28 ILE HG13 . 11212 1 281 . 1 1 28 28 ILE HG21 H 1 0.735 0.030 . 1 . . . . 28 ILE HG2 . 11212 1 282 . 1 1 28 28 ILE HG22 H 1 0.735 0.030 . 1 . . . . 28 ILE HG2 . 11212 1 283 . 1 1 28 28 ILE HG23 H 1 0.735 0.030 . 1 . . . . 28 ILE HG2 . 11212 1 284 . 1 1 28 28 ILE C C 13 174.039 0.300 . 1 . . . . 28 ILE C . 11212 1 285 . 1 1 28 28 ILE CA C 13 60.115 0.300 . 1 . . . . 28 ILE CA . 11212 1 286 . 1 1 28 28 ILE CB C 13 41.467 0.300 . 1 . . . . 28 ILE CB . 11212 1 287 . 1 1 28 28 ILE CD1 C 13 13.276 0.300 . 1 . . . . 28 ILE CD1 . 11212 1 288 . 1 1 28 28 ILE CG1 C 13 28.064 0.300 . 1 . . . . 28 ILE CG1 . 11212 1 289 . 1 1 28 28 ILE CG2 C 13 18.856 0.300 . 1 . . . . 28 ILE CG2 . 11212 1 290 . 1 1 28 28 ILE N N 15 121.568 0.300 . 1 . . . . 28 ILE N . 11212 1 291 . 1 1 29 29 ALA H H 1 9.324 0.030 . 1 . . . . 29 ALA H . 11212 1 292 . 1 1 29 29 ALA HA H 1 4.997 0.030 . 1 . . . . 29 ALA HA . 11212 1 293 . 1 1 29 29 ALA HB1 H 1 1.429 0.030 . 1 . . . . 29 ALA HB . 11212 1 294 . 1 1 29 29 ALA HB2 H 1 1.429 0.030 . 1 . . . . 29 ALA HB . 11212 1 295 . 1 1 29 29 ALA HB3 H 1 1.429 0.030 . 1 . . . . 29 ALA HB . 11212 1 296 . 1 1 29 29 ALA C C 13 176.477 0.300 . 1 . . . . 29 ALA C . 11212 1 297 . 1 1 29 29 ALA CA C 13 49.706 0.300 . 1 . . . . 29 ALA CA . 11212 1 298 . 1 1 29 29 ALA CB C 13 23.526 0.300 . 1 . . . . 29 ALA CB . 11212 1 299 . 1 1 29 29 ALA N N 15 126.109 0.300 . 1 . . . . 29 ALA N . 11212 1 300 . 1 1 30 30 LYS H H 1 8.759 0.030 . 1 . . . . 30 LYS H . 11212 1 301 . 1 1 30 30 LYS HA H 1 5.972 0.030 . 1 . . . . 30 LYS HA . 11212 1 302 . 1 1 30 30 LYS HB2 H 1 1.583 0.030 . 1 . . . . 30 LYS HB2 . 11212 1 303 . 1 1 30 30 LYS HB3 H 1 1.583 0.030 . 1 . . . . 30 LYS HB3 . 11212 1 304 . 1 1 30 30 LYS HD2 H 1 1.468 0.030 . 1 . . . . 30 LYS HD2 . 11212 1 305 . 1 1 30 30 LYS HD3 H 1 1.468 0.030 . 1 . . . . 30 LYS HD3 . 11212 1 306 . 1 1 30 30 LYS HE2 H 1 2.804 0.030 . 1 . . . . 30 LYS HE2 . 11212 1 307 . 1 1 30 30 LYS HE3 H 1 2.804 0.030 . 1 . . . . 30 LYS HE3 . 11212 1 308 . 1 1 30 30 LYS HG2 H 1 1.152 0.030 . 2 . . . . 30 LYS HG2 . 11212 1 309 . 1 1 30 30 LYS HG3 H 1 1.716 0.030 . 2 . . . . 30 LYS HG3 . 11212 1 310 . 1 1 30 30 LYS CA C 13 55.136 0.300 . 1 . . . . 30 LYS CA . 11212 1 311 . 1 1 30 30 LYS CB C 13 37.616 0.300 . 1 . . . . 30 LYS CB . 11212 1 312 . 1 1 30 30 LYS CD C 13 29.718 0.300 . 1 . . . . 30 LYS CD . 11212 1 313 . 1 1 30 30 LYS CE C 13 42.266 0.300 . 1 . . . . 30 LYS CE . 11212 1 314 . 1 1 30 30 LYS CG C 13 26.006 0.300 . 1 . . . . 30 LYS CG . 11212 1 315 . 1 1 31 31 VAL H H 1 9.106 0.030 . 1 . . . . 31 VAL H . 11212 1 316 . 1 1 31 31 VAL HA H 1 4.649 0.030 . 1 . . . . 31 VAL HA . 11212 1 317 . 1 1 31 31 VAL HB H 1 1.871 0.030 . 1 . . . . 31 VAL HB . 11212 1 318 . 1 1 31 31 VAL HG11 H 1 0.772 0.030 . 1 . . . . 31 VAL HG1 . 11212 1 319 . 1 1 31 31 VAL HG12 H 1 0.772 0.030 . 1 . . . . 31 VAL HG1 . 11212 1 320 . 1 1 31 31 VAL HG13 H 1 0.772 0.030 . 1 . . . . 31 VAL HG1 . 11212 1 321 . 1 1 31 31 VAL HG21 H 1 0.703 0.030 . 1 . . . . 31 VAL HG2 . 11212 1 322 . 1 1 31 31 VAL HG22 H 1 0.703 0.030 . 1 . . . . 31 VAL HG2 . 11212 1 323 . 1 1 31 31 VAL HG23 H 1 0.703 0.030 . 1 . . . . 31 VAL HG2 . 11212 1 324 . 1 1 31 31 VAL CA C 13 60.729 0.300 . 1 . . . . 31 VAL CA . 11212 1 325 . 1 1 31 31 VAL CB C 13 37.660 0.300 . 1 . . . . 31 VAL CB . 11212 1 326 . 1 1 31 31 VAL CG1 C 13 21.534 0.300 . 2 . . . . 31 VAL CG1 . 11212 1 327 . 1 1 31 31 VAL CG2 C 13 20.828 0.300 . 2 . . . . 31 VAL CG2 . 11212 1 328 . 1 1 31 31 VAL N N 15 121.986 0.300 . 1 . . . . 31 VAL N . 11212 1 329 . 1 1 32 32 LYS H H 1 8.845 0.030 . 1 . . . . 32 LYS H . 11212 1 330 . 1 1 32 32 LYS HA H 1 4.823 0.030 . 1 . . . . 32 LYS HA . 11212 1 331 . 1 1 32 32 LYS HB2 H 1 1.969 0.030 . 2 . . . . 32 LYS HB2 . 11212 1 332 . 1 1 32 32 LYS HB3 H 1 1.609 0.030 . 2 . . . . 32 LYS HB3 . 11212 1 333 . 1 1 32 32 LYS HD2 H 1 1.721 0.030 . 2 . . . . 32 LYS HD2 . 11212 1 334 . 1 1 32 32 LYS HD3 H 1 1.679 0.030 . 2 . . . . 32 LYS HD3 . 11212 1 335 . 1 1 32 32 LYS HE2 H 1 2.955 0.030 . 1 . . . . 32 LYS HE2 . 11212 1 336 . 1 1 32 32 LYS HE3 H 1 2.955 0.030 . 1 . . . . 32 LYS HE3 . 11212 1 337 . 1 1 32 32 LYS HG2 H 1 1.461 0.030 . 2 . . . . 32 LYS HG2 . 11212 1 338 . 1 1 32 32 LYS HG3 H 1 1.430 0.030 . 2 . . . . 32 LYS HG3 . 11212 1 339 . 1 1 32 32 LYS CA C 13 56.041 0.300 . 1 . . . . 32 LYS CA . 11212 1 340 . 1 1 32 32 LYS CB C 13 33.959 0.300 . 1 . . . . 32 LYS CB . 11212 1 341 . 1 1 32 32 LYS CD C 13 29.388 0.300 . 1 . . . . 32 LYS CD . 11212 1 342 . 1 1 32 32 LYS CE C 13 42.090 0.300 . 1 . . . . 32 LYS CE . 11212 1 343 . 1 1 32 32 LYS CG C 13 25.062 0.300 . 1 . . . . 32 LYS CG . 11212 1 344 . 1 1 33 33 ALA H H 1 8.939 0.030 . 1 . . . . 33 ALA H . 11212 1 345 . 1 1 33 33 ALA HA H 1 4.469 0.030 . 1 . . . . 33 ALA HA . 11212 1 346 . 1 1 33 33 ALA HB1 H 1 1.352 0.030 . 1 . . . . 33 ALA HB . 11212 1 347 . 1 1 33 33 ALA HB2 H 1 1.352 0.030 . 1 . . . . 33 ALA HB . 11212 1 348 . 1 1 33 33 ALA HB3 H 1 1.352 0.030 . 1 . . . . 33 ALA HB . 11212 1 349 . 1 1 33 33 ALA C C 13 176.262 0.300 . 1 . . . . 33 ALA C . 11212 1 350 . 1 1 33 33 ALA CA C 13 50.844 0.300 . 1 . . . . 33 ALA CA . 11212 1 351 . 1 1 33 33 ALA CB C 13 20.992 0.300 . 1 . . . . 33 ALA CB . 11212 1 352 . 1 1 33 33 ALA N N 15 129.766 0.300 . 1 . . . . 33 ALA N . 11212 1 353 . 1 1 34 34 GLU H H 1 8.588 0.030 . 1 . . . . 34 GLU H . 11212 1 354 . 1 1 34 34 GLU HA H 1 4.186 0.030 . 1 . . . . 34 GLU HA . 11212 1 355 . 1 1 34 34 GLU HB2 H 1 2.182 0.030 . 2 . . . . 34 GLU HB2 . 11212 1 356 . 1 1 34 34 GLU HB3 H 1 2.017 0.030 . 2 . . . . 34 GLU HB3 . 11212 1 357 . 1 1 34 34 GLU HG2 H 1 2.400 0.030 . 2 . . . . 34 GLU HG2 . 11212 1 358 . 1 1 34 34 GLU HG3 H 1 2.355 0.030 . 2 . . . . 34 GLU HG3 . 11212 1 359 . 1 1 34 34 GLU C C 13 175.911 0.300 . 1 . . . . 34 GLU C . 11212 1 360 . 1 1 34 34 GLU CA C 13 58.091 0.300 . 1 . . . . 34 GLU CA . 11212 1 361 . 1 1 34 34 GLU CB C 13 30.728 0.300 . 1 . . . . 34 GLU CB . 11212 1 362 . 1 1 34 34 GLU CG C 13 36.547 0.300 . 1 . . . . 34 GLU CG . 11212 1 363 . 1 1 34 34 GLU N N 15 119.194 0.300 . 1 . . . . 34 GLU N . 11212 1 364 . 1 1 35 35 ASP H H 1 7.819 0.030 . 1 . . . . 35 ASP H . 11212 1 365 . 1 1 35 35 ASP HA H 1 4.687 0.030 . 1 . . . . 35 ASP HA . 11212 1 366 . 1 1 35 35 ASP HB2 H 1 3.068 0.030 . 2 . . . . 35 ASP HB2 . 11212 1 367 . 1 1 35 35 ASP HB3 H 1 2.791 0.030 . 2 . . . . 35 ASP HB3 . 11212 1 368 . 1 1 35 35 ASP C C 13 176.359 0.300 . 1 . . . . 35 ASP C . 11212 1 369 . 1 1 35 35 ASP CA C 13 53.230 0.300 . 1 . . . . 35 ASP CA . 11212 1 370 . 1 1 35 35 ASP CB C 13 41.410 0.300 . 1 . . . . 35 ASP CB . 11212 1 371 . 1 1 35 35 ASP N N 15 115.927 0.300 . 1 . . . . 35 ASP N . 11212 1 372 . 1 1 36 36 LEU H H 1 8.589 0.030 . 1 . . . . 36 LEU H . 11212 1 373 . 1 1 36 36 LEU HA H 1 4.420 0.030 . 1 . . . . 36 LEU HA . 11212 1 374 . 1 1 36 36 LEU HB2 H 1 1.721 0.030 . 1 . . . . 36 LEU HB2 . 11212 1 375 . 1 1 36 36 LEU HB3 H 1 1.721 0.030 . 1 . . . . 36 LEU HB3 . 11212 1 376 . 1 1 36 36 LEU HD11 H 1 0.993 0.030 . 1 . . . . 36 LEU HD1 . 11212 1 377 . 1 1 36 36 LEU HD12 H 1 0.993 0.030 . 1 . . . . 36 LEU HD1 . 11212 1 378 . 1 1 36 36 LEU HD13 H 1 0.993 0.030 . 1 . . . . 36 LEU HD1 . 11212 1 379 . 1 1 36 36 LEU HD21 H 1 1.007 0.030 . 1 . . . . 36 LEU HD2 . 11212 1 380 . 1 1 36 36 LEU HD22 H 1 1.007 0.030 . 1 . . . . 36 LEU HD2 . 11212 1 381 . 1 1 36 36 LEU HD23 H 1 1.007 0.030 . 1 . . . . 36 LEU HD2 . 11212 1 382 . 1 1 36 36 LEU HG H 1 1.782 0.030 . 1 . . . . 36 LEU HG . 11212 1 383 . 1 1 36 36 LEU C C 13 177.870 0.300 . 1 . . . . 36 LEU C . 11212 1 384 . 1 1 36 36 LEU CA C 13 55.723 0.300 . 1 . . . . 36 LEU CA . 11212 1 385 . 1 1 36 36 LEU CB C 13 41.675 0.300 . 1 . . . . 36 LEU CB . 11212 1 386 . 1 1 36 36 LEU CD1 C 13 25.306 0.300 . 2 . . . . 36 LEU CD1 . 11212 1 387 . 1 1 36 36 LEU CD2 C 13 23.149 0.300 . 2 . . . . 36 LEU CD2 . 11212 1 388 . 1 1 36 36 LEU CG C 13 27.330 0.300 . 1 . . . . 36 LEU CG . 11212 1 389 . 1 1 36 36 LEU N N 15 121.893 0.300 . 1 . . . . 36 LEU N . 11212 1 390 . 1 1 37 37 LEU H H 1 8.482 0.030 . 1 . . . . 37 LEU H . 11212 1 391 . 1 1 37 37 LEU HA H 1 4.317 0.030 . 1 . . . . 37 LEU HA . 11212 1 392 . 1 1 37 37 LEU HB2 H 1 1.844 0.030 . 2 . . . . 37 LEU HB2 . 11212 1 393 . 1 1 37 37 LEU HB3 H 1 1.577 0.030 . 2 . . . . 37 LEU HB3 . 11212 1 394 . 1 1 37 37 LEU HD11 H 1 0.929 0.030 . 1 . . . . 37 LEU HD1 . 11212 1 395 . 1 1 37 37 LEU HD12 H 1 0.929 0.030 . 1 . . . . 37 LEU HD1 . 11212 1 396 . 1 1 37 37 LEU HD13 H 1 0.929 0.030 . 1 . . . . 37 LEU HD1 . 11212 1 397 . 1 1 37 37 LEU HD21 H 1 0.848 0.030 . 1 . . . . 37 LEU HD2 . 11212 1 398 . 1 1 37 37 LEU HD22 H 1 0.848 0.030 . 1 . . . . 37 LEU HD2 . 11212 1 399 . 1 1 37 37 LEU HD23 H 1 0.848 0.030 . 1 . . . . 37 LEU HD2 . 11212 1 400 . 1 1 37 37 LEU HG H 1 1.616 0.030 . 1 . . . . 37 LEU HG . 11212 1 401 . 1 1 37 37 LEU C C 13 177.351 0.300 . 1 . . . . 37 LEU C . 11212 1 402 . 1 1 37 37 LEU CA C 13 55.878 0.300 . 1 . . . . 37 LEU CA . 11212 1 403 . 1 1 37 37 LEU CB C 13 42.222 0.300 . 1 . . . . 37 LEU CB . 11212 1 404 . 1 1 37 37 LEU CD1 C 13 24.975 0.300 . 2 . . . . 37 LEU CD1 . 11212 1 405 . 1 1 37 37 LEU CD2 C 13 22.842 0.300 . 2 . . . . 37 LEU CD2 . 11212 1 406 . 1 1 37 37 LEU CG C 13 27.322 0.300 . 1 . . . . 37 LEU CG . 11212 1 407 . 1 1 37 37 LEU N N 15 119.417 0.300 . 1 . . . . 37 LEU N . 11212 1 408 . 1 1 38 38 ARG H H 1 7.670 0.030 . 1 . . . . 38 ARG H . 11212 1 409 . 1 1 38 38 ARG HA H 1 4.614 0.030 . 1 . . . . 38 ARG HA . 11212 1 410 . 1 1 38 38 ARG HB2 H 1 1.816 0.030 . 2 . . . . 38 ARG HB2 . 11212 1 411 . 1 1 38 38 ARG HB3 H 1 1.616 0.030 . 2 . . . . 38 ARG HB3 . 11212 1 412 . 1 1 38 38 ARG HD2 H 1 3.143 0.030 . 1 . . . . 38 ARG HD2 . 11212 1 413 . 1 1 38 38 ARG HD3 H 1 3.143 0.030 . 1 . . . . 38 ARG HD3 . 11212 1 414 . 1 1 38 38 ARG HG2 H 1 1.537 0.030 . 2 . . . . 38 ARG HG2 . 11212 1 415 . 1 1 38 38 ARG HG3 H 1 1.496 0.030 . 2 . . . . 38 ARG HG3 . 11212 1 416 . 1 1 38 38 ARG C C 13 174.880 0.300 . 1 . . . . 38 ARG C . 11212 1 417 . 1 1 38 38 ARG CA C 13 53.954 0.300 . 1 . . . . 38 ARG CA . 11212 1 418 . 1 1 38 38 ARG CB C 13 31.775 0.300 . 1 . . . . 38 ARG CB . 11212 1 419 . 1 1 38 38 ARG CD C 13 42.773 0.300 . 1 . . . . 38 ARG CD . 11212 1 420 . 1 1 38 38 ARG CG C 13 26.815 0.300 . 1 . . . . 38 ARG CG . 11212 1 421 . 1 1 38 38 ARG N N 15 118.628 0.300 . 1 . . . . 38 ARG N . 11212 1 422 . 1 1 39 39 LYS H H 1 8.598 0.030 . 1 . . . . 39 LYS H . 11212 1 423 . 1 1 39 39 LYS HA H 1 4.644 0.030 . 1 . . . . 39 LYS HA . 11212 1 424 . 1 1 39 39 LYS HB2 H 1 1.609 0.030 . 2 . . . . 39 LYS HB2 . 11212 1 425 . 1 1 39 39 LYS HB3 H 1 1.518 0.030 . 2 . . . . 39 LYS HB3 . 11212 1 426 . 1 1 39 39 LYS HD2 H 1 1.640 0.030 . 1 . . . . 39 LYS HD2 . 11212 1 427 . 1 1 39 39 LYS HD3 H 1 1.640 0.030 . 1 . . . . 39 LYS HD3 . 11212 1 428 . 1 1 39 39 LYS HE2 H 1 2.972 0.030 . 2 . . . . 39 LYS HE2 . 11212 1 429 . 1 1 39 39 LYS HE3 H 1 2.894 0.030 . 2 . . . . 39 LYS HE3 . 11212 1 430 . 1 1 39 39 LYS HG2 H 1 1.431 0.030 . 2 . . . . 39 LYS HG2 . 11212 1 431 . 1 1 39 39 LYS HG3 H 1 1.222 0.030 . 2 . . . . 39 LYS HG3 . 11212 1 432 . 1 1 39 39 LYS C C 13 168.983 0.300 . 1 . . . . 39 LYS C . 11212 1 433 . 1 1 39 39 LYS CA C 13 53.600 0.300 . 1 . . . . 39 LYS CA . 11212 1 434 . 1 1 39 39 LYS CB C 13 32.713 0.300 . 1 . . . . 39 LYS CB . 11212 1 435 . 1 1 39 39 LYS CD C 13 29.226 0.300 . 1 . . . . 39 LYS CD . 11212 1 436 . 1 1 39 39 LYS CE C 13 41.689 0.300 . 1 . . . . 39 LYS CE . 11212 1 437 . 1 1 39 39 LYS CG C 13 23.131 0.300 . 1 . . . . 39 LYS CG . 11212 1 438 . 1 1 39 39 LYS N N 15 122.847 0.300 . 1 . . . . 39 LYS N . 11212 1 439 . 1 1 40 40 PRO HA H 1 5.107 0.030 . 1 . . . . 40 PRO HA . 11212 1 440 . 1 1 40 40 PRO HB2 H 1 1.764 0.030 . 2 . . . . 40 PRO HB2 . 11212 1 441 . 1 1 40 40 PRO HB3 H 1 1.500 0.030 . 2 . . . . 40 PRO HB3 . 11212 1 442 . 1 1 40 40 PRO HD2 H 1 3.050 0.030 . 2 . . . . 40 PRO HD2 . 11212 1 443 . 1 1 40 40 PRO HD3 H 1 2.501 0.030 . 2 . . . . 40 PRO HD3 . 11212 1 444 . 1 1 40 40 PRO HG2 H 1 1.334 0.030 . 2 . . . . 40 PRO HG2 . 11212 1 445 . 1 1 40 40 PRO HG3 H 1 1.083 0.030 . 2 . . . . 40 PRO HG3 . 11212 1 446 . 1 1 40 40 PRO C C 13 174.918 0.300 . 1 . . . . 40 PRO C . 11212 1 447 . 1 1 40 40 PRO CA C 13 62.003 0.300 . 1 . . . . 40 PRO CA . 11212 1 448 . 1 1 40 40 PRO CB C 13 31.792 0.300 . 1 . . . . 40 PRO CB . 11212 1 449 . 1 1 40 40 PRO CD C 13 50.301 0.300 . 1 . . . . 40 PRO CD . 11212 1 450 . 1 1 40 40 PRO CG C 13 26.579 0.300 . 1 . . . . 40 PRO CG . 11212 1 451 . 1 1 41 41 THR H H 1 8.778 0.030 . 1 . . . . 41 THR H . 11212 1 452 . 1 1 41 41 THR HA H 1 4.548 0.030 . 1 . . . . 41 THR HA . 11212 1 453 . 1 1 41 41 THR HB H 1 4.147 0.030 . 1 . . . . 41 THR HB . 11212 1 454 . 1 1 41 41 THR HG21 H 1 1.115 0.030 . 1 . . . . 41 THR HG2 . 11212 1 455 . 1 1 41 41 THR HG22 H 1 1.115 0.030 . 1 . . . . 41 THR HG2 . 11212 1 456 . 1 1 41 41 THR HG23 H 1 1.115 0.030 . 1 . . . . 41 THR HG2 . 11212 1 457 . 1 1 41 41 THR C C 13 175.695 0.300 . 1 . . . . 41 THR C . 11212 1 458 . 1 1 41 41 THR CA C 13 60.243 0.300 . 1 . . . . 41 THR CA . 11212 1 459 . 1 1 41 41 THR CB C 13 70.786 0.300 . 1 . . . . 41 THR CB . 11212 1 460 . 1 1 41 41 THR CG2 C 13 21.664 0.300 . 1 . . . . 41 THR CG2 . 11212 1 461 . 1 1 41 41 THR N N 15 112.985 0.300 . 1 . . . . 41 THR N . 11212 1 462 . 1 1 42 42 ILE H H 1 8.393 0.030 . 1 . . . . 42 ILE H . 11212 1 463 . 1 1 42 42 ILE HA H 1 4.990 0.030 . 1 . . . . 42 ILE HA . 11212 1 464 . 1 1 42 42 ILE HB H 1 -0.058 0.030 . 1 . . . . 42 ILE HB . 11212 1 465 . 1 1 42 42 ILE HD11 H 1 -0.101 0.030 . 1 . . . . 42 ILE HD1 . 11212 1 466 . 1 1 42 42 ILE HD12 H 1 -0.101 0.030 . 1 . . . . 42 ILE HD1 . 11212 1 467 . 1 1 42 42 ILE HD13 H 1 -0.101 0.030 . 1 . . . . 42 ILE HD1 . 11212 1 468 . 1 1 42 42 ILE HG12 H 1 -0.002 0.030 . 2 . . . . 42 ILE HG12 . 11212 1 469 . 1 1 42 42 ILE HG13 H 1 0.581 0.030 . 2 . . . . 42 ILE HG13 . 11212 1 470 . 1 1 42 42 ILE HG21 H 1 0.502 0.030 . 1 . . . . 42 ILE HG2 . 11212 1 471 . 1 1 42 42 ILE HG22 H 1 0.502 0.030 . 1 . . . . 42 ILE HG2 . 11212 1 472 . 1 1 42 42 ILE HG23 H 1 0.502 0.030 . 1 . . . . 42 ILE HG2 . 11212 1 473 . 1 1 42 42 ILE CA C 13 57.253 0.300 . 1 . . . . 42 ILE CA . 11212 1 474 . 1 1 42 42 ILE CB C 13 43.349 0.300 . 1 . . . . 42 ILE CB . 11212 1 475 . 1 1 42 42 ILE CD1 C 13 15.214 0.300 . 1 . . . . 42 ILE CD1 . 11212 1 476 . 1 1 42 42 ILE CG1 C 13 29.241 0.300 . 1 . . . . 42 ILE CG1 . 11212 1 477 . 1 1 42 42 ILE CG2 C 13 17.665 0.300 . 1 . . . . 42 ILE CG2 . 11212 1 478 . 1 1 42 42 ILE N N 15 123.996 0.300 . 1 . . . . 42 ILE N . 11212 1 479 . 1 1 43 43 LYS H H 1 8.422 0.030 . 1 . . . . 43 LYS H . 11212 1 480 . 1 1 43 43 LYS HA H 1 4.505 0.030 . 1 . . . . 43 LYS HA . 11212 1 481 . 1 1 43 43 LYS HB2 H 1 1.572 0.030 . 2 . . . . 43 LYS HB2 . 11212 1 482 . 1 1 43 43 LYS HB3 H 1 1.304 0.030 . 2 . . . . 43 LYS HB3 . 11212 1 483 . 1 1 43 43 LYS HD2 H 1 1.726 0.030 . 1 . . . . 43 LYS HD2 . 11212 1 484 . 1 1 43 43 LYS HD3 H 1 1.726 0.030 . 1 . . . . 43 LYS HD3 . 11212 1 485 . 1 1 43 43 LYS HE2 H 1 2.961 0.030 . 2 . . . . 43 LYS HE2 . 11212 1 486 . 1 1 43 43 LYS HE3 H 1 2.926 0.030 . 2 . . . . 43 LYS HE3 . 11212 1 487 . 1 1 43 43 LYS HG2 H 1 1.272 0.030 . 2 . . . . 43 LYS HG2 . 11212 1 488 . 1 1 43 43 LYS HG3 H 1 1.397 0.030 . 2 . . . . 43 LYS HG3 . 11212 1 489 . 1 1 43 43 LYS C C 13 173.568 0.300 . 1 . . . . 43 LYS C . 11212 1 490 . 1 1 43 43 LYS CA C 13 55.088 0.300 . 1 . . . . 43 LYS CA . 11212 1 491 . 1 1 43 43 LYS CB C 13 38.070 0.300 . 1 . . . . 43 LYS CB . 11212 1 492 . 1 1 43 43 LYS CD C 13 29.422 0.300 . 1 . . . . 43 LYS CD . 11212 1 493 . 1 1 43 43 LYS CE C 13 42.324 0.300 . 1 . . . . 43 LYS CE . 11212 1 494 . 1 1 43 43 LYS CG C 13 25.395 0.300 . 1 . . . . 43 LYS CG . 11212 1 495 . 1 1 44 44 TRP H H 1 9.340 0.030 . 1 . . . . 44 TRP H . 11212 1 496 . 1 1 44 44 TRP HA H 1 5.286 0.030 . 1 . . . . 44 TRP HA . 11212 1 497 . 1 1 44 44 TRP HB2 H 1 3.249 0.030 . 2 . . . . 44 TRP HB2 . 11212 1 498 . 1 1 44 44 TRP HB3 H 1 2.942 0.030 . 2 . . . . 44 TRP HB3 . 11212 1 499 . 1 1 44 44 TRP HD1 H 1 7.037 0.030 . 1 . . . . 44 TRP HD1 . 11212 1 500 . 1 1 44 44 TRP HE1 H 1 10.824 0.030 . 1 . . . . 44 TRP HE1 . 11212 1 501 . 1 1 44 44 TRP HE3 H 1 7.568 0.030 . 1 . . . . 44 TRP HE3 . 11212 1 502 . 1 1 44 44 TRP HH2 H 1 6.662 0.030 . 1 . . . . 44 TRP HH2 . 11212 1 503 . 1 1 44 44 TRP HZ2 H 1 7.080 0.030 . 1 . . . . 44 TRP HZ2 . 11212 1 504 . 1 1 44 44 TRP HZ3 H 1 6.742 0.030 . 1 . . . . 44 TRP HZ3 . 11212 1 505 . 1 1 44 44 TRP C C 13 174.837 0.300 . 1 . . . . 44 TRP C . 11212 1 506 . 1 1 44 44 TRP CA C 13 55.063 0.300 . 1 . . . . 44 TRP CA . 11212 1 507 . 1 1 44 44 TRP CB C 13 31.847 0.300 . 1 . . . . 44 TRP CB . 11212 1 508 . 1 1 44 44 TRP CD1 C 13 128.708 0.300 . 1 . . . . 44 TRP CD1 . 11212 1 509 . 1 1 44 44 TRP CE3 C 13 119.827 0.300 . 1 . . . . 44 TRP CE3 . 11212 1 510 . 1 1 44 44 TRP CH2 C 13 123.424 0.300 . 1 . . . . 44 TRP CH2 . 11212 1 511 . 1 1 44 44 TRP CZ2 C 13 114.615 0.300 . 1 . . . . 44 TRP CZ2 . 11212 1 512 . 1 1 44 44 TRP CZ3 C 13 120.160 0.300 . 1 . . . . 44 TRP CZ3 . 11212 1 513 . 1 1 44 44 TRP N N 15 123.863 0.300 . 1 . . . . 44 TRP N . 11212 1 514 . 1 1 44 44 TRP NE1 N 15 131.313 0.300 . 1 . . . . 44 TRP NE1 . 11212 1 515 . 1 1 45 45 PHE H H 1 9.477 0.030 . 1 . . . . 45 PHE H . 11212 1 516 . 1 1 45 45 PHE HA H 1 5.653 0.030 . 1 . . . . 45 PHE HA . 11212 1 517 . 1 1 45 45 PHE HB2 H 1 2.674 0.030 . 2 . . . . 45 PHE HB2 . 11212 1 518 . 1 1 45 45 PHE HB3 H 1 2.488 0.030 . 2 . . . . 45 PHE HB3 . 11212 1 519 . 1 1 45 45 PHE HD1 H 1 6.712 0.030 . 1 . . . . 45 PHE HD1 . 11212 1 520 . 1 1 45 45 PHE HD2 H 1 6.712 0.030 . 1 . . . . 45 PHE HD2 . 11212 1 521 . 1 1 45 45 PHE HE1 H 1 7.131 0.030 . 1 . . . . 45 PHE HE1 . 11212 1 522 . 1 1 45 45 PHE HE2 H 1 7.131 0.030 . 1 . . . . 45 PHE HE2 . 11212 1 523 . 1 1 45 45 PHE HZ H 1 7.193 0.030 . 1 . . . . 45 PHE HZ . 11212 1 524 . 1 1 45 45 PHE C C 13 175.630 0.300 . 1 . . . . 45 PHE C . 11212 1 525 . 1 1 45 45 PHE CA C 13 56.043 0.300 . 1 . . . . 45 PHE CA . 11212 1 526 . 1 1 45 45 PHE CB C 13 44.024 0.300 . 1 . . . . 45 PHE CB . 11212 1 527 . 1 1 45 45 PHE CD1 C 13 131.084 0.300 . 1 . . . . 45 PHE CD1 . 11212 1 528 . 1 1 45 45 PHE CD2 C 13 131.084 0.300 . 1 . . . . 45 PHE CD2 . 11212 1 529 . 1 1 45 45 PHE CE1 C 13 131.035 0.300 . 1 . . . . 45 PHE CE1 . 11212 1 530 . 1 1 45 45 PHE CE2 C 13 131.035 0.300 . 1 . . . . 45 PHE CE2 . 11212 1 531 . 1 1 45 45 PHE CZ C 13 129.326 0.300 . 1 . . . . 45 PHE CZ . 11212 1 532 . 1 1 45 45 PHE N N 15 118.792 0.300 . 1 . . . . 45 PHE N . 11212 1 533 . 1 1 46 46 LYS H H 1 8.512 0.030 . 1 . . . . 46 LYS H . 11212 1 534 . 1 1 46 46 LYS HA H 1 4.278 0.030 . 1 . . . . 46 LYS HA . 11212 1 535 . 1 1 46 46 LYS HB2 H 1 1.708 0.030 . 2 . . . . 46 LYS HB2 . 11212 1 536 . 1 1 46 46 LYS HB3 H 1 1.277 0.030 . 2 . . . . 46 LYS HB3 . 11212 1 537 . 1 1 46 46 LYS HD2 H 1 1.259 0.030 . 1 . . . . 46 LYS HD2 . 11212 1 538 . 1 1 46 46 LYS HD3 H 1 1.259 0.030 . 1 . . . . 46 LYS HD3 . 11212 1 539 . 1 1 46 46 LYS HE2 H 1 2.501 0.030 . 2 . . . . 46 LYS HE2 . 11212 1 540 . 1 1 46 46 LYS HE3 H 1 2.730 0.030 . 2 . . . . 46 LYS HE3 . 11212 1 541 . 1 1 46 46 LYS HG2 H 1 1.008 0.030 . 2 . . . . 46 LYS HG2 . 11212 1 542 . 1 1 46 46 LYS HG3 H 1 0.086 0.030 . 2 . . . . 46 LYS HG3 . 11212 1 543 . 1 1 46 46 LYS C C 13 176.454 0.300 . 1 . . . . 46 LYS C . 11212 1 544 . 1 1 46 46 LYS CA C 13 55.218 0.300 . 1 . . . . 46 LYS CA . 11212 1 545 . 1 1 46 46 LYS CB C 13 35.541 0.300 . 1 . . . . 46 LYS CB . 11212 1 546 . 1 1 46 46 LYS CD C 13 28.669 0.300 . 1 . . . . 46 LYS CD . 11212 1 547 . 1 1 46 46 LYS CE C 13 43.224 0.300 . 1 . . . . 46 LYS CE . 11212 1 548 . 1 1 46 46 LYS CG C 13 25.650 0.300 . 1 . . . . 46 LYS CG . 11212 1 549 . 1 1 46 46 LYS N N 15 120.015 0.300 . 1 . . . . 46 LYS N . 11212 1 550 . 1 1 47 47 GLY H H 1 8.477 0.030 . 1 . . . . 47 GLY H . 11212 1 551 . 1 1 47 47 GLY HA2 H 1 3.871 0.030 . 2 . . . . 47 GLY HA2 . 11212 1 552 . 1 1 47 47 GLY HA3 H 1 3.558 0.030 . 2 . . . . 47 GLY HA3 . 11212 1 553 . 1 1 47 47 GLY C C 13 173.651 0.300 . 1 . . . . 47 GLY C . 11212 1 554 . 1 1 47 47 GLY CA C 13 45.279 0.300 . 1 . . . . 47 GLY CA . 11212 1 555 . 1 1 47 47 GLY N N 15 115.425 0.300 . 1 . . . . 47 GLY N . 11212 1 556 . 1 1 48 48 LYS H H 1 8.232 0.030 . 1 . . . . 48 LYS H . 11212 1 557 . 1 1 48 48 LYS HA H 1 3.535 0.030 . 1 . . . . 48 LYS HA . 11212 1 558 . 1 1 48 48 LYS HB2 H 1 1.072 0.030 . 2 . . . . 48 LYS HB2 . 11212 1 559 . 1 1 48 48 LYS HB3 H 1 0.792 0.030 . 2 . . . . 48 LYS HB3 . 11212 1 560 . 1 1 48 48 LYS HD2 H 1 1.298 0.030 . 1 . . . . 48 LYS HD2 . 11212 1 561 . 1 1 48 48 LYS HD3 H 1 1.298 0.030 . 1 . . . . 48 LYS HD3 . 11212 1 562 . 1 1 48 48 LYS HE2 H 1 2.692 0.030 . 2 . . . . 48 LYS HE2 . 11212 1 563 . 1 1 48 48 LYS HE3 H 1 2.656 0.030 . 2 . . . . 48 LYS HE3 . 11212 1 564 . 1 1 48 48 LYS HG2 H 1 0.733 0.030 . 2 . . . . 48 LYS HG2 . 11212 1 565 . 1 1 48 48 LYS HG3 H 1 0.933 0.030 . 2 . . . . 48 LYS HG3 . 11212 1 566 . 1 1 48 48 LYS C C 13 178.541 0.300 . 1 . . . . 48 LYS C . 11212 1 567 . 1 1 48 48 LYS CA C 13 59.157 0.300 . 1 . . . . 48 LYS CA . 11212 1 568 . 1 1 48 48 LYS CB C 13 32.312 0.300 . 1 . . . . 48 LYS CB . 11212 1 569 . 1 1 48 48 LYS CD C 13 28.759 0.300 . 1 . . . . 48 LYS CD . 11212 1 570 . 1 1 48 48 LYS CE C 13 41.879 0.300 . 1 . . . . 48 LYS CE . 11212 1 571 . 1 1 48 48 LYS CG C 13 24.939 0.300 . 1 . . . . 48 LYS CG . 11212 1 572 . 1 1 48 48 LYS N N 15 120.562 0.300 . 1 . . . . 48 LYS N . 11212 1 573 . 1 1 49 49 TRP H H 1 8.203 0.030 . 1 . . . . 49 TRP H . 11212 1 574 . 1 1 49 49 TRP HA H 1 4.935 0.030 . 1 . . . . 49 TRP HA . 11212 1 575 . 1 1 49 49 TRP HB2 H 1 3.449 0.030 . 2 . . . . 49 TRP HB2 . 11212 1 576 . 1 1 49 49 TRP HB3 H 1 3.122 0.030 . 2 . . . . 49 TRP HB3 . 11212 1 577 . 1 1 49 49 TRP HD1 H 1 7.140 0.030 . 1 . . . . 49 TRP HD1 . 11212 1 578 . 1 1 49 49 TRP HE1 H 1 10.117 0.030 . 1 . . . . 49 TRP HE1 . 11212 1 579 . 1 1 49 49 TRP HE3 H 1 7.509 0.030 . 1 . . . . 49 TRP HE3 . 11212 1 580 . 1 1 49 49 TRP HH2 H 1 7.137 0.030 . 1 . . . . 49 TRP HH2 . 11212 1 581 . 1 1 49 49 TRP HZ2 H 1 7.415 0.030 . 1 . . . . 49 TRP HZ2 . 11212 1 582 . 1 1 49 49 TRP HZ3 H 1 7.050 0.030 . 1 . . . . 49 TRP HZ3 . 11212 1 583 . 1 1 49 49 TRP C C 13 176.343 0.300 . 1 . . . . 49 TRP C . 11212 1 584 . 1 1 49 49 TRP CA C 13 56.496 0.300 . 1 . . . . 49 TRP CA . 11212 1 585 . 1 1 49 49 TRP CB C 13 31.799 0.300 . 1 . . . . 49 TRP CB . 11212 1 586 . 1 1 49 49 TRP CD1 C 13 127.389 0.300 . 1 . . . . 49 TRP CD1 . 11212 1 587 . 1 1 49 49 TRP CE3 C 13 121.027 0.300 . 1 . . . . 49 TRP CE3 . 11212 1 588 . 1 1 49 49 TRP CH2 C 13 124.520 0.300 . 1 . . . . 49 TRP CH2 . 11212 1 589 . 1 1 49 49 TRP CZ2 C 13 114.427 0.300 . 1 . . . . 49 TRP CZ2 . 11212 1 590 . 1 1 49 49 TRP CZ3 C 13 121.787 0.300 . 1 . . . . 49 TRP CZ3 . 11212 1 591 . 1 1 49 49 TRP N N 15 113.585 0.300 . 1 . . . . 49 TRP N . 11212 1 592 . 1 1 49 49 TRP NE1 N 15 128.867 0.300 . 1 . . . . 49 TRP NE1 . 11212 1 593 . 1 1 50 50 MET H H 1 7.413 0.030 . 1 . . . . 50 MET H . 11212 1 594 . 1 1 50 50 MET HA H 1 4.509 0.030 . 1 . . . . 50 MET HA . 11212 1 595 . 1 1 50 50 MET HB2 H 1 2.551 0.030 . 2 . . . . 50 MET HB2 . 11212 1 596 . 1 1 50 50 MET HB3 H 1 1.975 0.030 . 2 . . . . 50 MET HB3 . 11212 1 597 . 1 1 50 50 MET HE1 H 1 2.062 0.030 . 1 . . . . 50 MET HE . 11212 1 598 . 1 1 50 50 MET HE2 H 1 2.062 0.030 . 1 . . . . 50 MET HE . 11212 1 599 . 1 1 50 50 MET HE3 H 1 2.062 0.030 . 1 . . . . 50 MET HE . 11212 1 600 . 1 1 50 50 MET HG2 H 1 2.437 0.030 . 2 . . . . 50 MET HG2 . 11212 1 601 . 1 1 50 50 MET HG3 H 1 2.219 0.030 . 2 . . . . 50 MET HG3 . 11212 1 602 . 1 1 50 50 MET C C 13 173.573 0.300 . 1 . . . . 50 MET C . 11212 1 603 . 1 1 50 50 MET CA C 13 56.615 0.300 . 1 . . . . 50 MET CA . 11212 1 604 . 1 1 50 50 MET CB C 13 32.757 0.300 . 1 . . . . 50 MET CB . 11212 1 605 . 1 1 50 50 MET CE C 13 16.935 0.300 . 1 . . . . 50 MET CE . 11212 1 606 . 1 1 50 50 MET CG C 13 31.596 0.300 . 1 . . . . 50 MET CG . 11212 1 607 . 1 1 50 50 MET N N 15 120.356 0.300 . 1 . . . . 50 MET N . 11212 1 608 . 1 1 51 51 ASP H H 1 8.418 0.030 . 1 . . . . 51 ASP H . 11212 1 609 . 1 1 51 51 ASP HA H 1 4.325 0.030 . 1 . . . . 51 ASP HA . 11212 1 610 . 1 1 51 51 ASP HB2 H 1 2.871 0.030 . 2 . . . . 51 ASP HB2 . 11212 1 611 . 1 1 51 51 ASP HB3 H 1 2.552 0.030 . 2 . . . . 51 ASP HB3 . 11212 1 612 . 1 1 51 51 ASP C C 13 178.148 0.300 . 1 . . . . 51 ASP C . 11212 1 613 . 1 1 51 51 ASP CA C 13 53.620 0.300 . 1 . . . . 51 ASP CA . 11212 1 614 . 1 1 51 51 ASP CB C 13 40.943 0.300 . 1 . . . . 51 ASP CB . 11212 1 615 . 1 1 51 51 ASP N N 15 128.827 0.300 . 1 . . . . 51 ASP N . 11212 1 616 . 1 1 52 52 LEU H H 1 9.075 0.030 . 1 . . . . 52 LEU H . 11212 1 617 . 1 1 52 52 LEU HA H 1 3.963 0.030 . 1 . . . . 52 LEU HA . 11212 1 618 . 1 1 52 52 LEU HB2 H 1 1.673 0.030 . 2 . . . . 52 LEU HB2 . 11212 1 619 . 1 1 52 52 LEU HB3 H 1 1.622 0.030 . 2 . . . . 52 LEU HB3 . 11212 1 620 . 1 1 52 52 LEU HD11 H 1 1.088 0.030 . 1 . . . . 52 LEU HD1 . 11212 1 621 . 1 1 52 52 LEU HD12 H 1 1.088 0.030 . 1 . . . . 52 LEU HD1 . 11212 1 622 . 1 1 52 52 LEU HD13 H 1 1.088 0.030 . 1 . . . . 52 LEU HD1 . 11212 1 623 . 1 1 52 52 LEU HD21 H 1 0.826 0.030 . 1 . . . . 52 LEU HD2 . 11212 1 624 . 1 1 52 52 LEU HD22 H 1 0.826 0.030 . 1 . . . . 52 LEU HD2 . 11212 1 625 . 1 1 52 52 LEU HD23 H 1 0.826 0.030 . 1 . . . . 52 LEU HD2 . 11212 1 626 . 1 1 52 52 LEU HG H 1 1.792 0.030 . 1 . . . . 52 LEU HG . 11212 1 627 . 1 1 52 52 LEU C C 13 178.250 0.300 . 1 . . . . 52 LEU C . 11212 1 628 . 1 1 52 52 LEU CA C 13 56.739 0.300 . 1 . . . . 52 LEU CA . 11212 1 629 . 1 1 52 52 LEU CB C 13 40.887 0.300 . 1 . . . . 52 LEU CB . 11212 1 630 . 1 1 52 52 LEU CD1 C 13 26.298 0.300 . 2 . . . . 52 LEU CD1 . 11212 1 631 . 1 1 52 52 LEU CD2 C 13 22.650 0.300 . 2 . . . . 52 LEU CD2 . 11212 1 632 . 1 1 52 52 LEU CG C 13 27.029 0.300 . 1 . . . . 52 LEU CG . 11212 1 633 . 1 1 52 52 LEU N N 15 129.100 0.300 . 1 . . . . 52 LEU N . 11212 1 634 . 1 1 53 53 ALA H H 1 8.724 0.030 . 1 . . . . 53 ALA H . 11212 1 635 . 1 1 53 53 ALA HA H 1 4.020 0.030 . 1 . . . . 53 ALA HA . 11212 1 636 . 1 1 53 53 ALA HB1 H 1 1.481 0.030 . 1 . . . . 53 ALA HB . 11212 1 637 . 1 1 53 53 ALA HB2 H 1 1.481 0.030 . 1 . . . . 53 ALA HB . 11212 1 638 . 1 1 53 53 ALA HB3 H 1 1.481 0.030 . 1 . . . . 53 ALA HB . 11212 1 639 . 1 1 53 53 ALA C C 13 180.748 0.300 . 1 . . . . 53 ALA C . 11212 1 640 . 1 1 53 53 ALA CA C 13 55.584 0.300 . 1 . . . . 53 ALA CA . 11212 1 641 . 1 1 53 53 ALA CB C 13 17.980 0.300 . 1 . . . . 53 ALA CB . 11212 1 642 . 1 1 53 53 ALA N N 15 122.438 0.300 . 1 . . . . 53 ALA N . 11212 1 643 . 1 1 54 54 SER H H 1 7.893 0.030 . 1 . . . . 54 SER H . 11212 1 644 . 1 1 54 54 SER HA H 1 4.429 0.030 . 1 . . . . 54 SER HA . 11212 1 645 . 1 1 54 54 SER HB2 H 1 4.096 0.030 . 2 . . . . 54 SER HB2 . 11212 1 646 . 1 1 54 54 SER HB3 H 1 4.007 0.030 . 2 . . . . 54 SER HB3 . 11212 1 647 . 1 1 54 54 SER C C 13 174.959 0.300 . 1 . . . . 54 SER C . 11212 1 648 . 1 1 54 54 SER CA C 13 59.675 0.300 . 1 . . . . 54 SER CA . 11212 1 649 . 1 1 54 54 SER CB C 13 63.508 0.300 . 1 . . . . 54 SER CB . 11212 1 650 . 1 1 54 54 SER N N 15 110.385 0.300 . 1 . . . . 54 SER N . 11212 1 651 . 1 1 55 55 LYS H H 1 7.815 0.030 . 1 . . . . 55 LYS H . 11212 1 652 . 1 1 55 55 LYS HA H 1 4.530 0.030 . 1 . . . . 55 LYS HA . 11212 1 653 . 1 1 55 55 LYS HB2 H 1 2.025 0.030 . 2 . . . . 55 LYS HB2 . 11212 1 654 . 1 1 55 55 LYS HB3 H 1 1.742 0.030 . 2 . . . . 55 LYS HB3 . 11212 1 655 . 1 1 55 55 LYS HD2 H 1 1.577 0.030 . 2 . . . . 55 LYS HD2 . 11212 1 656 . 1 1 55 55 LYS HD3 H 1 1.602 0.030 . 2 . . . . 55 LYS HD3 . 11212 1 657 . 1 1 55 55 LYS HE2 H 1 2.898 0.030 . 2 . . . . 55 LYS HE2 . 11212 1 658 . 1 1 55 55 LYS HE3 H 1 2.987 0.030 . 2 . . . . 55 LYS HE3 . 11212 1 659 . 1 1 55 55 LYS HG2 H 1 1.398 0.030 . 1 . . . . 55 LYS HG2 . 11212 1 660 . 1 1 55 55 LYS HG3 H 1 1.398 0.030 . 1 . . . . 55 LYS HG3 . 11212 1 661 . 1 1 55 55 LYS C C 13 175.563 0.300 . 1 . . . . 55 LYS C . 11212 1 662 . 1 1 55 55 LYS CA C 13 53.910 0.300 . 1 . . . . 55 LYS CA . 11212 1 663 . 1 1 55 55 LYS CB C 13 32.123 0.300 . 1 . . . . 55 LYS CB . 11212 1 664 . 1 1 55 55 LYS CD C 13 27.967 0.300 . 1 . . . . 55 LYS CD . 11212 1 665 . 1 1 55 55 LYS CE C 13 42.137 0.300 . 1 . . . . 55 LYS CE . 11212 1 666 . 1 1 55 55 LYS CG C 13 24.151 0.300 . 1 . . . . 55 LYS CG . 11212 1 667 . 1 1 55 55 LYS N N 15 120.861 0.300 . 1 . . . . 55 LYS N . 11212 1 668 . 1 1 56 56 ALA H H 1 7.141 0.030 . 1 . . . . 56 ALA H . 11212 1 669 . 1 1 56 56 ALA HA H 1 4.306 0.030 . 1 . . . . 56 ALA HA . 11212 1 670 . 1 1 56 56 ALA HB1 H 1 1.467 0.030 . 1 . . . . 56 ALA HB . 11212 1 671 . 1 1 56 56 ALA HB2 H 1 1.467 0.030 . 1 . . . . 56 ALA HB . 11212 1 672 . 1 1 56 56 ALA HB3 H 1 1.467 0.030 . 1 . . . . 56 ALA HB . 11212 1 673 . 1 1 56 56 ALA C C 13 177.873 0.300 . 1 . . . . 56 ALA C . 11212 1 674 . 1 1 56 56 ALA CA C 13 52.852 0.300 . 1 . . . . 56 ALA CA . 11212 1 675 . 1 1 56 56 ALA CB C 13 18.847 0.300 . 1 . . . . 56 ALA CB . 11212 1 676 . 1 1 56 56 ALA N N 15 122.780 0.300 . 1 . . . . 56 ALA N . 11212 1 677 . 1 1 57 57 GLY H H 1 9.179 0.030 . 1 . . . . 57 GLY H . 11212 1 678 . 1 1 57 57 GLY HA2 H 1 3.923 0.030 . 2 . . . . 57 GLY HA2 . 11212 1 679 . 1 1 57 57 GLY HA3 H 1 4.284 0.030 . 2 . . . . 57 GLY HA3 . 11212 1 680 . 1 1 57 57 GLY CA C 13 46.393 0.300 . 1 . . . . 57 GLY CA . 11212 1 681 . 1 1 57 57 GLY N N 15 110.485 0.300 . 1 . . . . 57 GLY N . 11212 1 682 . 1 1 58 58 LYS H H 1 7.064 0.030 . 1 . . . . 58 LYS H . 11212 1 683 . 1 1 58 58 LYS HA H 1 3.943 0.030 . 1 . . . . 58 LYS HA . 11212 1 684 . 1 1 58 58 LYS HB2 H 1 1.714 0.030 . 2 . . . . 58 LYS HB2 . 11212 1 685 . 1 1 58 58 LYS HB3 H 1 1.563 0.030 . 2 . . . . 58 LYS HB3 . 11212 1 686 . 1 1 58 58 LYS HD2 H 1 1.601 0.030 . 1 . . . . 58 LYS HD2 . 11212 1 687 . 1 1 58 58 LYS HD3 H 1 1.601 0.030 . 1 . . . . 58 LYS HD3 . 11212 1 688 . 1 1 58 58 LYS HE2 H 1 2.925 0.030 . 1 . . . . 58 LYS HE2 . 11212 1 689 . 1 1 58 58 LYS HE3 H 1 2.925 0.030 . 1 . . . . 58 LYS HE3 . 11212 1 690 . 1 1 58 58 LYS HG2 H 1 1.185 0.030 . 2 . . . . 58 LYS HG2 . 11212 1 691 . 1 1 58 58 LYS HG3 H 1 1.079 0.030 . 2 . . . . 58 LYS HG3 . 11212 1 692 . 1 1 58 58 LYS C C 13 176.866 0.300 . 1 . . . . 58 LYS C . 11212 1 693 . 1 1 58 58 LYS CA C 13 58.710 0.300 . 1 . . . . 58 LYS CA . 11212 1 694 . 1 1 58 58 LYS CB C 13 32.709 0.300 . 1 . . . . 58 LYS CB . 11212 1 695 . 1 1 58 58 LYS CD C 13 29.118 0.300 . 1 . . . . 58 LYS CD . 11212 1 696 . 1 1 58 58 LYS CE C 13 42.005 0.300 . 1 . . . . 58 LYS CE . 11212 1 697 . 1 1 58 58 LYS CG C 13 24.570 0.300 . 1 . . . . 58 LYS CG . 11212 1 698 . 1 1 59 59 HIS H H 1 8.352 0.030 . 1 . . . . 59 HIS H . 11212 1 699 . 1 1 59 59 HIS HA H 1 5.124 0.030 . 1 . . . . 59 HIS HA . 11212 1 700 . 1 1 59 59 HIS HB2 H 1 3.607 0.030 . 2 . . . . 59 HIS HB2 . 11212 1 701 . 1 1 59 59 HIS HB3 H 1 3.015 0.030 . 2 . . . . 59 HIS HB3 . 11212 1 702 . 1 1 59 59 HIS HD2 H 1 7.066 0.030 . 1 . . . . 59 HIS HD2 . 11212 1 703 . 1 1 59 59 HIS HE1 H 1 7.939 0.030 . 1 . . . . 59 HIS HE1 . 11212 1 704 . 1 1 59 59 HIS C C 13 174.214 0.300 . 1 . . . . 59 HIS C . 11212 1 705 . 1 1 59 59 HIS CA C 13 56.076 0.300 . 1 . . . . 59 HIS CA . 11212 1 706 . 1 1 59 59 HIS CB C 13 30.917 0.300 . 1 . . . . 59 HIS CB . 11212 1 707 . 1 1 59 59 HIS CD2 C 13 127.196 0.300 . 1 . . . . 59 HIS CD2 . 11212 1 708 . 1 1 59 59 HIS CE1 C 13 138.727 0.300 . 1 . . . . 59 HIS CE1 . 11212 1 709 . 1 1 59 59 HIS N N 15 112.515 0.300 . 1 . . . . 59 HIS N . 11212 1 710 . 1 1 60 60 LEU H H 1 7.263 0.030 . 1 . . . . 60 LEU H . 11212 1 711 . 1 1 60 60 LEU HA H 1 5.448 0.030 . 1 . . . . 60 LEU HA . 11212 1 712 . 1 1 60 60 LEU HB2 H 1 1.559 0.030 . 2 . . . . 60 LEU HB2 . 11212 1 713 . 1 1 60 60 LEU HB3 H 1 1.417 0.030 . 2 . . . . 60 LEU HB3 . 11212 1 714 . 1 1 60 60 LEU HD11 H 1 0.758 0.030 . 1 . . . . 60 LEU HD1 . 11212 1 715 . 1 1 60 60 LEU HD12 H 1 0.758 0.030 . 1 . . . . 60 LEU HD1 . 11212 1 716 . 1 1 60 60 LEU HD13 H 1 0.758 0.030 . 1 . . . . 60 LEU HD1 . 11212 1 717 . 1 1 60 60 LEU HD21 H 1 0.663 0.030 . 1 . . . . 60 LEU HD2 . 11212 1 718 . 1 1 60 60 LEU HD22 H 1 0.663 0.030 . 1 . . . . 60 LEU HD2 . 11212 1 719 . 1 1 60 60 LEU HD23 H 1 0.663 0.030 . 1 . . . . 60 LEU HD2 . 11212 1 720 . 1 1 60 60 LEU HG H 1 1.316 0.030 . 1 . . . . 60 LEU HG . 11212 1 721 . 1 1 60 60 LEU C C 13 174.977 0.300 . 1 . . . . 60 LEU C . 11212 1 722 . 1 1 60 60 LEU CA C 13 54.666 0.300 . 1 . . . . 60 LEU CA . 11212 1 723 . 1 1 60 60 LEU CB C 13 45.076 0.300 . 1 . . . . 60 LEU CB . 11212 1 724 . 1 1 60 60 LEU CD1 C 13 25.948 0.300 . 2 . . . . 60 LEU CD1 . 11212 1 725 . 1 1 60 60 LEU CD2 C 13 25.709 0.300 . 2 . . . . 60 LEU CD2 . 11212 1 726 . 1 1 60 60 LEU CG C 13 27.853 0.300 . 1 . . . . 60 LEU CG . 11212 1 727 . 1 1 60 60 LEU N N 15 122.688 0.300 . 1 . . . . 60 LEU N . 11212 1 728 . 1 1 61 61 GLN H H 1 9.062 0.030 . 1 . . . . 61 GLN H . 11212 1 729 . 1 1 61 61 GLN HA H 1 4.696 0.030 . 1 . . . . 61 GLN HA . 11212 1 730 . 1 1 61 61 GLN HB2 H 1 2.002 0.030 . 2 . . . . 61 GLN HB2 . 11212 1 731 . 1 1 61 61 GLN HB3 H 1 1.842 0.030 . 2 . . . . 61 GLN HB3 . 11212 1 732 . 1 1 61 61 GLN HE21 H 1 6.992 0.030 . 2 . . . . 61 GLN HE21 . 11212 1 733 . 1 1 61 61 GLN HE22 H 1 7.536 0.030 . 2 . . . . 61 GLN HE22 . 11212 1 734 . 1 1 61 61 GLN HG2 H 1 2.255 0.030 . 2 . . . . 61 GLN HG2 . 11212 1 735 . 1 1 61 61 GLN HG3 H 1 2.222 0.030 . 2 . . . . 61 GLN HG3 . 11212 1 736 . 1 1 61 61 GLN C C 13 173.644 0.300 . 1 . . . . 61 GLN C . 11212 1 737 . 1 1 61 61 GLN CA C 13 54.187 0.300 . 1 . . . . 61 GLN CA . 11212 1 738 . 1 1 61 61 GLN CB C 13 33.141 0.300 . 1 . . . . 61 GLN CB . 11212 1 739 . 1 1 61 61 GLN CG C 13 33.982 0.300 . 1 . . . . 61 GLN CG . 11212 1 740 . 1 1 61 61 GLN N N 15 124.354 0.300 . 1 . . . . 61 GLN N . 11212 1 741 . 1 1 61 61 GLN NE2 N 15 113.882 0.300 . 1 . . . . 61 GLN NE2 . 11212 1 742 . 1 1 62 62 LEU H H 1 8.709 0.030 . 1 . . . . 62 LEU H . 11212 1 743 . 1 1 62 62 LEU HA H 1 5.239 0.030 . 1 . . . . 62 LEU HA . 11212 1 744 . 1 1 62 62 LEU HB2 H 1 1.807 0.030 . 2 . . . . 62 LEU HB2 . 11212 1 745 . 1 1 62 62 LEU HB3 H 1 1.589 0.030 . 2 . . . . 62 LEU HB3 . 11212 1 746 . 1 1 62 62 LEU HD11 H 1 0.910 0.030 . 1 . . . . 62 LEU HD1 . 11212 1 747 . 1 1 62 62 LEU HD12 H 1 0.910 0.030 . 1 . . . . 62 LEU HD1 . 11212 1 748 . 1 1 62 62 LEU HD13 H 1 0.910 0.030 . 1 . . . . 62 LEU HD1 . 11212 1 749 . 1 1 62 62 LEU HD21 H 1 0.567 0.030 . 1 . . . . 62 LEU HD2 . 11212 1 750 . 1 1 62 62 LEU HD22 H 1 0.567 0.030 . 1 . . . . 62 LEU HD2 . 11212 1 751 . 1 1 62 62 LEU HD23 H 1 0.567 0.030 . 1 . . . . 62 LEU HD2 . 11212 1 752 . 1 1 62 62 LEU HG H 1 1.454 0.030 . 1 . . . . 62 LEU HG . 11212 1 753 . 1 1 62 62 LEU C C 13 176.850 0.300 . 1 . . . . 62 LEU C . 11212 1 754 . 1 1 62 62 LEU CA C 13 53.494 0.300 . 1 . . . . 62 LEU CA . 11212 1 755 . 1 1 62 62 LEU CB C 13 43.051 0.300 . 1 . . . . 62 LEU CB . 11212 1 756 . 1 1 62 62 LEU CD1 C 13 25.308 0.300 . 2 . . . . 62 LEU CD1 . 11212 1 757 . 1 1 62 62 LEU CD2 C 13 24.078 0.300 . 2 . . . . 62 LEU CD2 . 11212 1 758 . 1 1 62 62 LEU CG C 13 27.522 0.300 . 1 . . . . 62 LEU CG . 11212 1 759 . 1 1 62 62 LEU N N 15 123.720 0.300 . 1 . . . . 62 LEU N . 11212 1 760 . 1 1 63 63 LYS H H 1 8.863 0.030 . 1 . . . . 63 LYS H . 11212 1 761 . 1 1 63 63 LYS HA H 1 4.810 0.030 . 1 . . . . 63 LYS HA . 11212 1 762 . 1 1 63 63 LYS HB2 H 1 1.748 0.030 . 2 . . . . 63 LYS HB2 . 11212 1 763 . 1 1 63 63 LYS HB3 H 1 1.637 0.030 . 2 . . . . 63 LYS HB3 . 11212 1 764 . 1 1 63 63 LYS HD2 H 1 1.539 0.030 . 1 . . . . 63 LYS HD2 . 11212 1 765 . 1 1 63 63 LYS HD3 H 1 1.539 0.030 . 1 . . . . 63 LYS HD3 . 11212 1 766 . 1 1 63 63 LYS HE2 H 1 2.806 0.030 . 1 . . . . 63 LYS HE2 . 11212 1 767 . 1 1 63 63 LYS HE3 H 1 2.806 0.030 . 1 . . . . 63 LYS HE3 . 11212 1 768 . 1 1 63 63 LYS HG2 H 1 1.308 0.030 . 1 . . . . 63 LYS HG2 . 11212 1 769 . 1 1 63 63 LYS HG3 H 1 1.308 0.030 . 1 . . . . 63 LYS HG3 . 11212 1 770 . 1 1 63 63 LYS C C 13 174.354 0.300 . 1 . . . . 63 LYS C . 11212 1 771 . 1 1 63 63 LYS CA C 13 55.529 0.300 . 1 . . . . 63 LYS CA . 11212 1 772 . 1 1 63 63 LYS CB C 13 37.098 0.300 . 1 . . . . 63 LYS CB . 11212 1 773 . 1 1 63 63 LYS CD C 13 29.191 0.300 . 1 . . . . 63 LYS CD . 11212 1 774 . 1 1 63 63 LYS CE C 13 41.993 0.300 . 1 . . . . 63 LYS CE . 11212 1 775 . 1 1 63 63 LYS CG C 13 24.877 0.300 . 1 . . . . 63 LYS CG . 11212 1 776 . 1 1 63 63 LYS N N 15 122.596 0.300 . 1 . . . . 63 LYS N . 11212 1 777 . 1 1 64 64 GLU H H 1 8.598 0.030 . 1 . . . . 64 GLU H . 11212 1 778 . 1 1 64 64 GLU HA H 1 5.429 0.030 . 1 . . . . 64 GLU HA . 11212 1 779 . 1 1 64 64 GLU HB2 H 1 2.121 0.030 . 2 . . . . 64 GLU HB2 . 11212 1 780 . 1 1 64 64 GLU HB3 H 1 2.175 0.030 . 2 . . . . 64 GLU HB3 . 11212 1 781 . 1 1 64 64 GLU HG2 H 1 2.292 0.030 . 1 . . . . 64 GLU HG2 . 11212 1 782 . 1 1 64 64 GLU HG3 H 1 2.292 0.030 . 1 . . . . 64 GLU HG3 . 11212 1 783 . 1 1 64 64 GLU C C 13 175.382 0.300 . 1 . . . . 64 GLU C . 11212 1 784 . 1 1 64 64 GLU CA C 13 54.947 0.300 . 1 . . . . 64 GLU CA . 11212 1 785 . 1 1 64 64 GLU CB C 13 33.633 0.300 . 1 . . . . 64 GLU CB . 11212 1 786 . 1 1 64 64 GLU CG C 13 36.042 0.300 . 1 . . . . 64 GLU CG . 11212 1 787 . 1 1 64 64 GLU N N 15 122.929 0.300 . 1 . . . . 64 GLU N . 11212 1 788 . 1 1 65 65 THR H H 1 8.733 0.030 . 1 . . . . 65 THR H . 11212 1 789 . 1 1 65 65 THR HA H 1 4.603 0.030 . 1 . . . . 65 THR HA . 11212 1 790 . 1 1 65 65 THR HB H 1 3.998 0.030 . 1 . . . . 65 THR HB . 11212 1 791 . 1 1 65 65 THR HG21 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 11212 1 792 . 1 1 65 65 THR HG22 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 11212 1 793 . 1 1 65 65 THR HG23 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 11212 1 794 . 1 1 65 65 THR C C 13 171.864 0.300 . 1 . . . . 65 THR C . 11212 1 795 . 1 1 65 65 THR CA C 13 61.275 0.300 . 1 . . . . 65 THR CA . 11212 1 796 . 1 1 65 65 THR CB C 13 72.094 0.300 . 1 . . . . 65 THR CB . 11212 1 797 . 1 1 65 65 THR CG2 C 13 21.839 0.300 . 1 . . . . 65 THR CG2 . 11212 1 798 . 1 1 65 65 THR N N 15 117.770 0.300 . 1 . . . . 65 THR N . 11212 1 799 . 1 1 66 66 PHE H H 1 8.697 0.030 . 1 . . . . 66 PHE H . 11212 1 800 . 1 1 66 66 PHE HA H 1 4.763 0.030 . 1 . . . . 66 PHE HA . 11212 1 801 . 1 1 66 66 PHE HB2 H 1 2.590 0.030 . 1 . . . . 66 PHE HB2 . 11212 1 802 . 1 1 66 66 PHE HB3 H 1 2.590 0.030 . 1 . . . . 66 PHE HB3 . 11212 1 803 . 1 1 66 66 PHE HD1 H 1 6.193 0.030 . 1 . . . . 66 PHE HD1 . 11212 1 804 . 1 1 66 66 PHE HD2 H 1 6.193 0.030 . 1 . . . . 66 PHE HD2 . 11212 1 805 . 1 1 66 66 PHE HE1 H 1 6.828 0.030 . 1 . . . . 66 PHE HE1 . 11212 1 806 . 1 1 66 66 PHE HE2 H 1 6.828 0.030 . 1 . . . . 66 PHE HE2 . 11212 1 807 . 1 1 66 66 PHE HZ H 1 6.968 0.030 . 1 . . . . 66 PHE HZ . 11212 1 808 . 1 1 66 66 PHE C C 13 173.452 0.300 . 1 . . . . 66 PHE C . 11212 1 809 . 1 1 66 66 PHE CA C 13 54.821 0.300 . 1 . . . . 66 PHE CA . 11212 1 810 . 1 1 66 66 PHE CB C 13 41.825 0.300 . 1 . . . . 66 PHE CB . 11212 1 811 . 1 1 66 66 PHE CD1 C 13 131.213 0.300 . 1 . . . . 66 PHE CD1 . 11212 1 812 . 1 1 66 66 PHE CD2 C 13 131.213 0.300 . 1 . . . . 66 PHE CD2 . 11212 1 813 . 1 1 66 66 PHE CE1 C 13 130.341 0.300 . 1 . . . . 66 PHE CE1 . 11212 1 814 . 1 1 66 66 PHE CE2 C 13 130.341 0.300 . 1 . . . . 66 PHE CE2 . 11212 1 815 . 1 1 66 66 PHE CZ C 13 128.334 0.300 . 1 . . . . 66 PHE CZ . 11212 1 816 . 1 1 66 66 PHE N N 15 123.955 0.300 . 1 . . . . 66 PHE N . 11212 1 817 . 1 1 67 67 GLU H H 1 7.679 0.030 . 1 . . . . 67 GLU H . 11212 1 818 . 1 1 67 67 GLU HA H 1 4.264 0.030 . 1 . . . . 67 GLU HA . 11212 1 819 . 1 1 67 67 GLU HB2 H 1 1.979 0.030 . 2 . . . . 67 GLU HB2 . 11212 1 820 . 1 1 67 67 GLU HB3 H 1 1.582 0.030 . 2 . . . . 67 GLU HB3 . 11212 1 821 . 1 1 67 67 GLU HG2 H 1 2.173 0.030 . 2 . . . . 67 GLU HG2 . 11212 1 822 . 1 1 67 67 GLU HG3 H 1 1.987 0.030 . 2 . . . . 67 GLU HG3 . 11212 1 823 . 1 1 67 67 GLU C C 13 174.683 0.300 . 1 . . . . 67 GLU C . 11212 1 824 . 1 1 67 67 GLU CA C 13 54.713 0.300 . 1 . . . . 67 GLU CA . 11212 1 825 . 1 1 67 67 GLU CB C 13 30.617 0.300 . 1 . . . . 67 GLU CB . 11212 1 826 . 1 1 67 67 GLU CG C 13 37.853 0.300 . 1 . . . . 67 GLU CG . 11212 1 827 . 1 1 67 67 GLU N N 15 130.807 0.300 . 1 . . . . 67 GLU N . 11212 1 828 . 1 1 68 68 ARG H H 1 8.021 0.030 . 1 . . . . 68 ARG H . 11212 1 829 . 1 1 68 68 ARG HA H 1 3.141 0.030 . 1 . . . . 68 ARG HA . 11212 1 830 . 1 1 68 68 ARG HB2 H 1 1.636 0.030 . 2 . . . . 68 ARG HB2 . 11212 1 831 . 1 1 68 68 ARG HB3 H 1 1.548 0.030 . 2 . . . . 68 ARG HB3 . 11212 1 832 . 1 1 68 68 ARG HD2 H 1 3.159 0.030 . 1 . . . . 68 ARG HD2 . 11212 1 833 . 1 1 68 68 ARG HD3 H 1 3.159 0.030 . 1 . . . . 68 ARG HD3 . 11212 1 834 . 1 1 68 68 ARG HG2 H 1 1.424 0.030 . 2 . . . . 68 ARG HG2 . 11212 1 835 . 1 1 68 68 ARG HG3 H 1 1.305 0.030 . 2 . . . . 68 ARG HG3 . 11212 1 836 . 1 1 68 68 ARG C C 13 177.349 0.300 . 1 . . . . 68 ARG C . 11212 1 837 . 1 1 68 68 ARG CA C 13 59.055 0.300 . 1 . . . . 68 ARG CA . 11212 1 838 . 1 1 68 68 ARG CB C 13 30.002 0.300 . 1 . . . . 68 ARG CB . 11212 1 839 . 1 1 68 68 ARG CD C 13 43.206 0.300 . 1 . . . . 68 ARG CD . 11212 1 840 . 1 1 68 68 ARG CG C 13 27.066 0.300 . 1 . . . . 68 ARG CG . 11212 1 841 . 1 1 68 68 ARG N N 15 124.661 0.300 . 1 . . . . 68 ARG N . 11212 1 842 . 1 1 69 69 HIS H H 1 8.485 0.030 . 1 . . . . 69 HIS H . 11212 1 843 . 1 1 69 69 HIS HA H 1 4.289 0.030 . 1 . . . . 69 HIS HA . 11212 1 844 . 1 1 69 69 HIS HB2 H 1 3.227 0.030 . 2 . . . . 69 HIS HB2 . 11212 1 845 . 1 1 69 69 HIS HB3 H 1 3.074 0.030 . 2 . . . . 69 HIS HB3 . 11212 1 846 . 1 1 69 69 HIS HD2 H 1 7.000 0.030 . 1 . . . . 69 HIS HD2 . 11212 1 847 . 1 1 69 69 HIS HE1 H 1 7.713 0.030 . 1 . . . . 69 HIS HE1 . 11212 1 848 . 1 1 69 69 HIS C C 13 176.941 0.300 . 1 . . . . 69 HIS C . 11212 1 849 . 1 1 69 69 HIS CA C 13 59.481 0.300 . 1 . . . . 69 HIS CA . 11212 1 850 . 1 1 69 69 HIS CB C 13 29.624 0.300 . 1 . . . . 69 HIS CB . 11212 1 851 . 1 1 69 69 HIS CD2 C 13 119.446 0.300 . 1 . . . . 69 HIS CD2 . 11212 1 852 . 1 1 69 69 HIS CE1 C 13 138.578 0.300 . 1 . . . . 69 HIS CE1 . 11212 1 853 . 1 1 69 69 HIS N N 15 117.873 0.300 . 1 . . . . 69 HIS N . 11212 1 854 . 1 1 70 70 SER H H 1 7.927 0.030 . 1 . . . . 70 SER H . 11212 1 855 . 1 1 70 70 SER HA H 1 4.210 0.030 . 1 . . . . 70 SER HA . 11212 1 856 . 1 1 70 70 SER HB2 H 1 3.806 0.030 . 2 . . . . 70 SER HB2 . 11212 1 857 . 1 1 70 70 SER HB3 H 1 3.599 0.030 . 2 . . . . 70 SER HB3 . 11212 1 858 . 1 1 70 70 SER C C 13 174.625 0.300 . 1 . . . . 70 SER C . 11212 1 859 . 1 1 70 70 SER CA C 13 57.868 0.300 . 1 . . . . 70 SER CA . 11212 1 860 . 1 1 70 70 SER CB C 13 64.189 0.300 . 1 . . . . 70 SER CB . 11212 1 861 . 1 1 70 70 SER N N 15 112.944 0.300 . 1 . . . . 70 SER N . 11212 1 862 . 1 1 71 71 ARG H H 1 7.669 0.030 . 1 . . . . 71 ARG H . 11212 1 863 . 1 1 71 71 ARG HA H 1 3.527 0.030 . 1 . . . . 71 ARG HA . 11212 1 864 . 1 1 71 71 ARG HB2 H 1 2.249 0.030 . 2 . . . . 71 ARG HB2 . 11212 1 865 . 1 1 71 71 ARG HB3 H 1 2.097 0.030 . 2 . . . . 71 ARG HB3 . 11212 1 866 . 1 1 71 71 ARG HD2 H 1 3.292 0.030 . 2 . . . . 71 ARG HD2 . 11212 1 867 . 1 1 71 71 ARG HD3 H 1 3.116 0.030 . 2 . . . . 71 ARG HD3 . 11212 1 868 . 1 1 71 71 ARG HG2 H 1 1.583 0.030 . 1 . . . . 71 ARG HG2 . 11212 1 869 . 1 1 71 71 ARG HG3 H 1 1.583 0.030 . 1 . . . . 71 ARG HG3 . 11212 1 870 . 1 1 71 71 ARG C C 13 173.597 0.300 . 1 . . . . 71 ARG C . 11212 1 871 . 1 1 71 71 ARG CA C 13 57.684 0.300 . 1 . . . . 71 ARG CA . 11212 1 872 . 1 1 71 71 ARG CB C 13 26.621 0.300 . 1 . . . . 71 ARG CB . 11212 1 873 . 1 1 71 71 ARG CD C 13 44.001 0.300 . 1 . . . . 71 ARG CD . 11212 1 874 . 1 1 71 71 ARG CG C 13 28.253 0.300 . 1 . . . . 71 ARG CG . 11212 1 875 . 1 1 71 71 ARG N N 15 117.423 0.300 . 1 . . . . 71 ARG N . 11212 1 876 . 1 1 72 72 VAL H H 1 7.075 0.030 . 1 . . . . 72 VAL H . 11212 1 877 . 1 1 72 72 VAL HA H 1 4.525 0.030 . 1 . . . . 72 VAL HA . 11212 1 878 . 1 1 72 72 VAL HB H 1 1.707 0.030 . 1 . . . . 72 VAL HB . 11212 1 879 . 1 1 72 72 VAL HG11 H 1 0.780 0.030 . 1 . . . . 72 VAL HG1 . 11212 1 880 . 1 1 72 72 VAL HG12 H 1 0.780 0.030 . 1 . . . . 72 VAL HG1 . 11212 1 881 . 1 1 72 72 VAL HG13 H 1 0.780 0.030 . 1 . . . . 72 VAL HG1 . 11212 1 882 . 1 1 72 72 VAL HG21 H 1 0.707 0.030 . 1 . . . . 72 VAL HG2 . 11212 1 883 . 1 1 72 72 VAL HG22 H 1 0.707 0.030 . 1 . . . . 72 VAL HG2 . 11212 1 884 . 1 1 72 72 VAL HG23 H 1 0.707 0.030 . 1 . . . . 72 VAL HG2 . 11212 1 885 . 1 1 72 72 VAL C C 13 176.945 0.300 . 1 . . . . 72 VAL C . 11212 1 886 . 1 1 72 72 VAL CA C 13 62.077 0.300 . 1 . . . . 72 VAL CA . 11212 1 887 . 1 1 72 72 VAL CB C 13 34.565 0.300 . 1 . . . . 72 VAL CB . 11212 1 888 . 1 1 72 72 VAL CG1 C 13 22.436 0.300 . 2 . . . . 72 VAL CG1 . 11212 1 889 . 1 1 72 72 VAL CG2 C 13 21.946 0.300 . 2 . . . . 72 VAL CG2 . 11212 1 890 . 1 1 72 72 VAL N N 15 117.032 0.300 . 1 . . . . 72 VAL N . 11212 1 891 . 1 1 73 73 TYR H H 1 9.463 0.030 . 1 . . . . 73 TYR H . 11212 1 892 . 1 1 73 73 TYR HA H 1 4.855 0.030 . 1 . . . . 73 TYR HA . 11212 1 893 . 1 1 73 73 TYR HB2 H 1 2.602 0.030 . 2 . . . . 73 TYR HB2 . 11212 1 894 . 1 1 73 73 TYR HB3 H 1 2.053 0.030 . 2 . . . . 73 TYR HB3 . 11212 1 895 . 1 1 73 73 TYR HD1 H 1 6.757 0.030 . 1 . . . . 73 TYR HD1 . 11212 1 896 . 1 1 73 73 TYR HD2 H 1 6.757 0.030 . 1 . . . . 73 TYR HD2 . 11212 1 897 . 1 1 73 73 TYR HE1 H 1 6.485 0.030 . 1 . . . . 73 TYR HE1 . 11212 1 898 . 1 1 73 73 TYR HE2 H 1 6.485 0.030 . 1 . . . . 73 TYR HE2 . 11212 1 899 . 1 1 73 73 TYR C C 13 174.870 0.300 . 1 . . . . 73 TYR C . 11212 1 900 . 1 1 73 73 TYR CA C 13 58.093 0.300 . 1 . . . . 73 TYR CA . 11212 1 901 . 1 1 73 73 TYR CB C 13 41.419 0.300 . 1 . . . . 73 TYR CB . 11212 1 902 . 1 1 73 73 TYR CD1 C 13 132.449 0.300 . 1 . . . . 73 TYR CD1 . 11212 1 903 . 1 1 73 73 TYR CD2 C 13 132.449 0.300 . 1 . . . . 73 TYR CD2 . 11212 1 904 . 1 1 73 73 TYR CE1 C 13 118.496 0.300 . 1 . . . . 73 TYR CE1 . 11212 1 905 . 1 1 73 73 TYR CE2 C 13 118.496 0.300 . 1 . . . . 73 TYR CE2 . 11212 1 906 . 1 1 73 73 TYR N N 15 130.486 0.300 . 1 . . . . 73 TYR N . 11212 1 907 . 1 1 74 74 THR H H 1 8.927 0.030 . 1 . . . . 74 THR H . 11212 1 908 . 1 1 74 74 THR HA H 1 4.753 0.030 . 1 . . . . 74 THR HA . 11212 1 909 . 1 1 74 74 THR HB H 1 3.915 0.030 . 1 . . . . 74 THR HB . 11212 1 910 . 1 1 74 74 THR HG21 H 1 1.097 0.030 . 1 . . . . 74 THR HG2 . 11212 1 911 . 1 1 74 74 THR HG22 H 1 1.097 0.030 . 1 . . . . 74 THR HG2 . 11212 1 912 . 1 1 74 74 THR HG23 H 1 1.097 0.030 . 1 . . . . 74 THR HG2 . 11212 1 913 . 1 1 74 74 THR C C 13 173.129 0.300 . 1 . . . . 74 THR C . 11212 1 914 . 1 1 74 74 THR CA C 13 62.431 0.300 . 1 . . . . 74 THR CA . 11212 1 915 . 1 1 74 74 THR CB C 13 69.396 0.300 . 1 . . . . 74 THR CB . 11212 1 916 . 1 1 74 74 THR CG2 C 13 21.840 0.300 . 1 . . . . 74 THR CG2 . 11212 1 917 . 1 1 74 74 THR N N 15 119.339 0.300 . 1 . . . . 74 THR N . 11212 1 918 . 1 1 75 75 PHE H H 1 9.834 0.030 . 1 . . . . 75 PHE H . 11212 1 919 . 1 1 75 75 PHE HA H 1 5.512 0.030 . 1 . . . . 75 PHE HA . 11212 1 920 . 1 1 75 75 PHE HB2 H 1 3.932 0.030 . 2 . . . . 75 PHE HB2 . 11212 1 921 . 1 1 75 75 PHE HB3 H 1 3.071 0.030 . 2 . . . . 75 PHE HB3 . 11212 1 922 . 1 1 75 75 PHE HD1 H 1 7.288 0.030 . 1 . . . . 75 PHE HD1 . 11212 1 923 . 1 1 75 75 PHE HD2 H 1 7.288 0.030 . 1 . . . . 75 PHE HD2 . 11212 1 924 . 1 1 75 75 PHE HE1 H 1 7.027 0.030 . 1 . . . . 75 PHE HE1 . 11212 1 925 . 1 1 75 75 PHE HE2 H 1 7.027 0.030 . 1 . . . . 75 PHE HE2 . 11212 1 926 . 1 1 75 75 PHE HZ H 1 6.556 0.030 . 1 . . . . 75 PHE HZ . 11212 1 927 . 1 1 75 75 PHE C C 13 174.355 0.300 . 1 . . . . 75 PHE C . 11212 1 928 . 1 1 75 75 PHE CA C 13 56.415 0.300 . 1 . . . . 75 PHE CA . 11212 1 929 . 1 1 75 75 PHE CB C 13 41.549 0.300 . 1 . . . . 75 PHE CB . 11212 1 930 . 1 1 75 75 PHE CD1 C 13 132.687 0.300 . 1 . . . . 75 PHE CD1 . 11212 1 931 . 1 1 75 75 PHE CD2 C 13 132.687 0.300 . 1 . . . . 75 PHE CD2 . 11212 1 932 . 1 1 75 75 PHE CE1 C 13 130.186 0.300 . 1 . . . . 75 PHE CE1 . 11212 1 933 . 1 1 75 75 PHE CE2 C 13 130.186 0.300 . 1 . . . . 75 PHE CE2 . 11212 1 934 . 1 1 75 75 PHE CZ C 13 128.153 0.300 . 1 . . . . 75 PHE CZ . 11212 1 935 . 1 1 75 75 PHE N N 15 129.068 0.300 . 1 . . . . 75 PHE N . 11212 1 936 . 1 1 76 76 GLU H H 1 9.384 0.030 . 1 . . . . 76 GLU H . 11212 1 937 . 1 1 76 76 GLU HA H 1 5.632 0.030 . 1 . . . . 76 GLU HA . 11212 1 938 . 1 1 76 76 GLU HB2 H 1 1.841 0.030 . 2 . . . . 76 GLU HB2 . 11212 1 939 . 1 1 76 76 GLU HB3 H 1 1.758 0.030 . 2 . . . . 76 GLU HB3 . 11212 1 940 . 1 1 76 76 GLU HG2 H 1 1.984 0.030 . 1 . . . . 76 GLU HG2 . 11212 1 941 . 1 1 76 76 GLU HG3 H 1 1.984 0.030 . 1 . . . . 76 GLU HG3 . 11212 1 942 . 1 1 76 76 GLU C C 13 175.376 0.300 . 1 . . . . 76 GLU C . 11212 1 943 . 1 1 76 76 GLU CA C 13 53.930 0.300 . 1 . . . . 76 GLU CA . 11212 1 944 . 1 1 76 76 GLU CB C 13 34.029 0.300 . 1 . . . . 76 GLU CB . 11212 1 945 . 1 1 76 76 GLU CG C 13 36.881 0.300 . 1 . . . . 76 GLU CG . 11212 1 946 . 1 1 76 76 GLU N N 15 120.929 0.300 . 1 . . . . 76 GLU N . 11212 1 947 . 1 1 77 77 MET H H 1 8.624 0.030 . 1 . . . . 77 MET H . 11212 1 948 . 1 1 77 77 MET HA H 1 4.404 0.030 . 1 . . . . 77 MET HA . 11212 1 949 . 1 1 77 77 MET HB2 H 1 0.792 0.030 . 2 . . . . 77 MET HB2 . 11212 1 950 . 1 1 77 77 MET HB3 H 1 -0.551 0.030 . 2 . . . . 77 MET HB3 . 11212 1 951 . 1 1 77 77 MET HE1 H 1 1.505 0.030 . 1 . . . . 77 MET HE . 11212 1 952 . 1 1 77 77 MET HE2 H 1 1.505 0.030 . 1 . . . . 77 MET HE . 11212 1 953 . 1 1 77 77 MET HE3 H 1 1.505 0.030 . 1 . . . . 77 MET HE . 11212 1 954 . 1 1 77 77 MET HG2 H 1 1.521 0.030 . 2 . . . . 77 MET HG2 . 11212 1 955 . 1 1 77 77 MET HG3 H 1 1.652 0.030 . 2 . . . . 77 MET HG3 . 11212 1 956 . 1 1 77 77 MET C C 13 173.278 0.300 . 1 . . . . 77 MET C . 11212 1 957 . 1 1 77 77 MET CA C 13 54.812 0.300 . 1 . . . . 77 MET CA . 11212 1 958 . 1 1 77 77 MET CB C 13 32.428 0.300 . 1 . . . . 77 MET CB . 11212 1 959 . 1 1 77 77 MET CE C 13 18.550 0.300 . 1 . . . . 77 MET CE . 11212 1 960 . 1 1 77 77 MET CG C 13 32.072 0.300 . 1 . . . . 77 MET CG . 11212 1 961 . 1 1 77 77 MET N N 15 125.102 0.300 . 1 . . . . 77 MET N . 11212 1 962 . 1 1 78 78 GLN H H 1 9.153 0.030 . 1 . . . . 78 GLN H . 11212 1 963 . 1 1 78 78 GLN HA H 1 4.848 0.030 . 1 . . . . 78 GLN HA . 11212 1 964 . 1 1 78 78 GLN HB2 H 1 1.903 0.030 . 2 . . . . 78 GLN HB2 . 11212 1 965 . 1 1 78 78 GLN HB3 H 1 1.809 0.030 . 2 . . . . 78 GLN HB3 . 11212 1 966 . 1 1 78 78 GLN HE21 H 1 7.066 0.030 . 2 . . . . 78 GLN HE21 . 11212 1 967 . 1 1 78 78 GLN HE22 H 1 6.465 0.030 . 2 . . . . 78 GLN HE22 . 11212 1 968 . 1 1 78 78 GLN HG2 H 1 2.073 0.030 . 1 . . . . 78 GLN HG2 . 11212 1 969 . 1 1 78 78 GLN HG3 H 1 2.073 0.030 . 1 . . . . 78 GLN HG3 . 11212 1 970 . 1 1 78 78 GLN C C 13 174.493 0.300 . 1 . . . . 78 GLN C . 11212 1 971 . 1 1 78 78 GLN CA C 13 54.127 0.300 . 1 . . . . 78 GLN CA . 11212 1 972 . 1 1 78 78 GLN CB C 13 30.583 0.300 . 1 . . . . 78 GLN CB . 11212 1 973 . 1 1 78 78 GLN CG C 13 33.044 0.300 . 1 . . . . 78 GLN CG . 11212 1 974 . 1 1 78 78 GLN N N 15 127.183 0.300 . 1 . . . . 78 GLN N . 11212 1 975 . 1 1 78 78 GLN NE2 N 15 109.998 0.300 . 1 . . . . 78 GLN NE2 . 11212 1 976 . 1 1 79 79 ILE H H 1 8.957 0.030 . 1 . . . . 79 ILE H . 11212 1 977 . 1 1 79 79 ILE HA H 1 4.584 0.030 . 1 . . . . 79 ILE HA . 11212 1 978 . 1 1 79 79 ILE HB H 1 2.004 0.030 . 1 . . . . 79 ILE HB . 11212 1 979 . 1 1 79 79 ILE HD11 H 1 0.680 0.030 . 1 . . . . 79 ILE HD1 . 11212 1 980 . 1 1 79 79 ILE HD12 H 1 0.680 0.030 . 1 . . . . 79 ILE HD1 . 11212 1 981 . 1 1 79 79 ILE HD13 H 1 0.680 0.030 . 1 . . . . 79 ILE HD1 . 11212 1 982 . 1 1 79 79 ILE HG12 H 1 1.103 0.030 . 2 . . . . 79 ILE HG12 . 11212 1 983 . 1 1 79 79 ILE HG13 H 1 1.417 0.030 . 2 . . . . 79 ILE HG13 . 11212 1 984 . 1 1 79 79 ILE HG21 H 1 0.813 0.030 . 1 . . . . 79 ILE HG2 . 11212 1 985 . 1 1 79 79 ILE HG22 H 1 0.813 0.030 . 1 . . . . 79 ILE HG2 . 11212 1 986 . 1 1 79 79 ILE HG23 H 1 0.813 0.030 . 1 . . . . 79 ILE HG2 . 11212 1 987 . 1 1 79 79 ILE C C 13 174.981 0.300 . 1 . . . . 79 ILE C . 11212 1 988 . 1 1 79 79 ILE CA C 13 59.938 0.300 . 1 . . . . 79 ILE CA . 11212 1 989 . 1 1 79 79 ILE CB C 13 37.427 0.300 . 1 . . . . 79 ILE CB . 11212 1 990 . 1 1 79 79 ILE CD1 C 13 12.618 0.300 . 1 . . . . 79 ILE CD1 . 11212 1 991 . 1 1 79 79 ILE CG1 C 13 27.876 0.300 . 1 . . . . 79 ILE CG1 . 11212 1 992 . 1 1 79 79 ILE CG2 C 13 16.982 0.300 . 1 . . . . 79 ILE CG2 . 11212 1 993 . 1 1 79 79 ILE N N 15 126.131 0.300 . 1 . . . . 79 ILE N . 11212 1 994 . 1 1 80 80 ILE H H 1 8.159 0.030 . 1 . . . . 80 ILE H . 11212 1 995 . 1 1 80 80 ILE HA H 1 4.223 0.030 . 1 . . . . 80 ILE HA . 11212 1 996 . 1 1 80 80 ILE HB H 1 1.533 0.030 . 1 . . . . 80 ILE HB . 11212 1 997 . 1 1 80 80 ILE HD11 H 1 0.604 0.030 . 1 . . . . 80 ILE HD1 . 11212 1 998 . 1 1 80 80 ILE HD12 H 1 0.604 0.030 . 1 . . . . 80 ILE HD1 . 11212 1 999 . 1 1 80 80 ILE HD13 H 1 0.604 0.030 . 1 . . . . 80 ILE HD1 . 11212 1 1000 . 1 1 80 80 ILE HG12 H 1 1.155 0.030 . 2 . . . . 80 ILE HG12 . 11212 1 1001 . 1 1 80 80 ILE HG13 H 1 0.758 0.030 . 2 . . . . 80 ILE HG13 . 11212 1 1002 . 1 1 80 80 ILE HG21 H 1 0.830 0.030 . 1 . . . . 80 ILE HG2 . 11212 1 1003 . 1 1 80 80 ILE HG22 H 1 0.830 0.030 . 1 . . . . 80 ILE HG2 . 11212 1 1004 . 1 1 80 80 ILE HG23 H 1 0.830 0.030 . 1 . . . . 80 ILE HG2 . 11212 1 1005 . 1 1 80 80 ILE C C 13 175.230 0.300 . 1 . . . . 80 ILE C . 11212 1 1006 . 1 1 80 80 ILE CA C 13 59.248 0.300 . 1 . . . . 80 ILE CA . 11212 1 1007 . 1 1 80 80 ILE CB C 13 40.731 0.300 . 1 . . . . 80 ILE CB . 11212 1 1008 . 1 1 80 80 ILE CD1 C 13 14.017 0.300 . 1 . . . . 80 ILE CD1 . 11212 1 1009 . 1 1 80 80 ILE CG1 C 13 27.822 0.300 . 1 . . . . 80 ILE CG1 . 11212 1 1010 . 1 1 80 80 ILE CG2 C 13 18.155 0.300 . 1 . . . . 80 ILE CG2 . 11212 1 1011 . 1 1 80 80 ILE N N 15 129.736 0.300 . 1 . . . . 80 ILE N . 11212 1 1012 . 1 1 81 81 LYS H H 1 9.105 0.030 . 1 . . . . 81 LYS H . 11212 1 1013 . 1 1 81 81 LYS HA H 1 3.269 0.030 . 1 . . . . 81 LYS HA . 11212 1 1014 . 1 1 81 81 LYS HB2 H 1 1.932 0.030 . 2 . . . . 81 LYS HB2 . 11212 1 1015 . 1 1 81 81 LYS HB3 H 1 1.877 0.030 . 2 . . . . 81 LYS HB3 . 11212 1 1016 . 1 1 81 81 LYS HD2 H 1 1.733 0.030 . 2 . . . . 81 LYS HD2 . 11212 1 1017 . 1 1 81 81 LYS HD3 H 1 1.604 0.030 . 2 . . . . 81 LYS HD3 . 11212 1 1018 . 1 1 81 81 LYS HE2 H 1 3.023 0.030 . 1 . . . . 81 LYS HE2 . 11212 1 1019 . 1 1 81 81 LYS HE3 H 1 3.023 0.030 . 1 . . . . 81 LYS HE3 . 11212 1 1020 . 1 1 81 81 LYS HG2 H 1 1.473 0.030 . 2 . . . . 81 LYS HG2 . 11212 1 1021 . 1 1 81 81 LYS HG3 H 1 1.421 0.030 . 2 . . . . 81 LYS HG3 . 11212 1 1022 . 1 1 81 81 LYS C C 13 175.244 0.300 . 1 . . . . 81 LYS C . 11212 1 1023 . 1 1 81 81 LYS CA C 13 56.928 0.300 . 1 . . . . 81 LYS CA . 11212 1 1024 . 1 1 81 81 LYS CB C 13 30.220 0.300 . 1 . . . . 81 LYS CB . 11212 1 1025 . 1 1 81 81 LYS CD C 13 29.434 0.300 . 1 . . . . 81 LYS CD . 11212 1 1026 . 1 1 81 81 LYS CE C 13 42.437 0.300 . 1 . . . . 81 LYS CE . 11212 1 1027 . 1 1 81 81 LYS CG C 13 25.744 0.300 . 1 . . . . 81 LYS CG . 11212 1 1028 . 1 1 81 81 LYS N N 15 124.653 0.300 . 1 . . . . 81 LYS N . 11212 1 1029 . 1 1 82 82 ALA H H 1 9.133 0.030 . 1 . . . . 82 ALA H . 11212 1 1030 . 1 1 82 82 ALA HA H 1 3.742 0.030 . 1 . . . . 82 ALA HA . 11212 1 1031 . 1 1 82 82 ALA HB1 H 1 1.329 0.030 . 1 . . . . 82 ALA HB . 11212 1 1032 . 1 1 82 82 ALA HB2 H 1 1.329 0.030 . 1 . . . . 82 ALA HB . 11212 1 1033 . 1 1 82 82 ALA HB3 H 1 1.329 0.030 . 1 . . . . 82 ALA HB . 11212 1 1034 . 1 1 82 82 ALA C C 13 176.867 0.300 . 1 . . . . 82 ALA C . 11212 1 1035 . 1 1 82 82 ALA CA C 13 54.322 0.300 . 1 . . . . 82 ALA CA . 11212 1 1036 . 1 1 82 82 ALA CB C 13 19.898 0.300 . 1 . . . . 82 ALA CB . 11212 1 1037 . 1 1 82 82 ALA N N 15 119.852 0.300 . 1 . . . . 82 ALA N . 11212 1 1038 . 1 1 83 83 LYS H H 1 5.518 0.030 . 1 . . . . 83 LYS H . 11212 1 1039 . 1 1 83 83 LYS HA H 1 4.547 0.030 . 1 . . . . 83 LYS HA . 11212 1 1040 . 1 1 83 83 LYS HB2 H 1 1.728 0.030 . 2 . . . . 83 LYS HB2 . 11212 1 1041 . 1 1 83 83 LYS HB3 H 1 0.766 0.030 . 2 . . . . 83 LYS HB3 . 11212 1 1042 . 1 1 83 83 LYS HD2 H 1 1.476 0.030 . 2 . . . . 83 LYS HD2 . 11212 1 1043 . 1 1 83 83 LYS HD3 H 1 1.439 0.030 . 2 . . . . 83 LYS HD3 . 11212 1 1044 . 1 1 83 83 LYS HE2 H 1 2.757 0.030 . 2 . . . . 83 LYS HE2 . 11212 1 1045 . 1 1 83 83 LYS HE3 H 1 2.687 0.030 . 2 . . . . 83 LYS HE3 . 11212 1 1046 . 1 1 83 83 LYS HG2 H 1 1.136 0.030 . 2 . . . . 83 LYS HG2 . 11212 1 1047 . 1 1 83 83 LYS HG3 H 1 1.047 0.030 . 2 . . . . 83 LYS HG3 . 11212 1 1048 . 1 1 83 83 LYS C C 13 176.612 0.300 . 1 . . . . 83 LYS C . 11212 1 1049 . 1 1 83 83 LYS CA C 13 53.601 0.300 . 1 . . . . 83 LYS CA . 11212 1 1050 . 1 1 83 83 LYS CB C 13 35.388 0.300 . 1 . . . . 83 LYS CB . 11212 1 1051 . 1 1 83 83 LYS CD C 13 28.849 0.300 . 1 . . . . 83 LYS CD . 11212 1 1052 . 1 1 83 83 LYS CE C 13 41.854 0.300 . 1 . . . . 83 LYS CE . 11212 1 1053 . 1 1 83 83 LYS CG C 13 24.570 0.300 . 1 . . . . 83 LYS CG . 11212 1 1054 . 1 1 83 83 LYS N N 15 117.543 0.300 . 1 . . . . 83 LYS N . 11212 1 1055 . 1 1 84 84 ASP H H 1 9.036 0.030 . 1 . . . . 84 ASP H . 11212 1 1056 . 1 1 84 84 ASP HA H 1 3.946 0.030 . 1 . . . . 84 ASP HA . 11212 1 1057 . 1 1 84 84 ASP HB2 H 1 2.712 0.030 . 2 . . . . 84 ASP HB2 . 11212 1 1058 . 1 1 84 84 ASP HB3 H 1 2.598 0.030 . 2 . . . . 84 ASP HB3 . 11212 1 1059 . 1 1 84 84 ASP C C 13 177.866 0.300 . 1 . . . . 84 ASP C . 11212 1 1060 . 1 1 84 84 ASP CA C 13 57.577 0.300 . 1 . . . . 84 ASP CA . 11212 1 1061 . 1 1 84 84 ASP CB C 13 39.733 0.300 . 1 . . . . 84 ASP CB . 11212 1 1062 . 1 1 84 84 ASP N N 15 121.398 0.300 . 1 . . . . 84 ASP N . 11212 1 1063 . 1 1 85 85 ASN H H 1 8.324 0.030 . 1 . . . . 85 ASN H . 11212 1 1064 . 1 1 85 85 ASN HA H 1 4.592 0.030 . 1 . . . . 85 ASN HA . 11212 1 1065 . 1 1 85 85 ASN HB2 H 1 2.913 0.030 . 2 . . . . 85 ASN HB2 . 11212 1 1066 . 1 1 85 85 ASN HB3 H 1 2.683 0.030 . 2 . . . . 85 ASN HB3 . 11212 1 1067 . 1 1 85 85 ASN HD21 H 1 7.538 0.030 . 2 . . . . 85 ASN HD21 . 11212 1 1068 . 1 1 85 85 ASN HD22 H 1 6.543 0.030 . 2 . . . . 85 ASN HD22 . 11212 1 1069 . 1 1 85 85 ASN C C 13 175.594 0.300 . 1 . . . . 85 ASN C . 11212 1 1070 . 1 1 85 85 ASN CA C 13 54.405 0.300 . 1 . . . . 85 ASN CA . 11212 1 1071 . 1 1 85 85 ASN CB C 13 36.929 0.300 . 1 . . . . 85 ASN CB . 11212 1 1072 . 1 1 85 85 ASN N N 15 115.274 0.300 . 1 . . . . 85 ASN N . 11212 1 1073 . 1 1 85 85 ASN ND2 N 15 112.208 0.300 . 1 . . . . 85 ASN ND2 . 11212 1 1074 . 1 1 86 86 PHE H H 1 8.064 0.030 . 1 . . . . 86 PHE H . 11212 1 1075 . 1 1 86 86 PHE HA H 1 4.762 0.030 . 1 . . . . 86 PHE HA . 11212 1 1076 . 1 1 86 86 PHE HB2 H 1 3.328 0.030 . 2 . . . . 86 PHE HB2 . 11212 1 1077 . 1 1 86 86 PHE HB3 H 1 3.197 0.030 . 2 . . . . 86 PHE HB3 . 11212 1 1078 . 1 1 86 86 PHE HD1 H 1 7.214 0.030 . 1 . . . . 86 PHE HD1 . 11212 1 1079 . 1 1 86 86 PHE HD2 H 1 7.214 0.030 . 1 . . . . 86 PHE HD2 . 11212 1 1080 . 1 1 86 86 PHE HE1 H 1 7.356 0.030 . 1 . . . . 86 PHE HE1 . 11212 1 1081 . 1 1 86 86 PHE HE2 H 1 7.356 0.030 . 1 . . . . 86 PHE HE2 . 11212 1 1082 . 1 1 86 86 PHE HZ H 1 6.920 0.030 . 1 . . . . 86 PHE HZ . 11212 1 1083 . 1 1 86 86 PHE C C 13 176.558 0.300 . 1 . . . . 86 PHE C . 11212 1 1084 . 1 1 86 86 PHE CA C 13 55.960 0.300 . 1 . . . . 86 PHE CA . 11212 1 1085 . 1 1 86 86 PHE CB C 13 36.867 0.300 . 1 . . . . 86 PHE CB . 11212 1 1086 . 1 1 86 86 PHE CD1 C 13 130.138 0.300 . 1 . . . . 86 PHE CD1 . 11212 1 1087 . 1 1 86 86 PHE CD2 C 13 130.138 0.300 . 1 . . . . 86 PHE CD2 . 11212 1 1088 . 1 1 86 86 PHE CE1 C 13 131.685 0.300 . 1 . . . . 86 PHE CE1 . 11212 1 1089 . 1 1 86 86 PHE CE2 C 13 131.685 0.300 . 1 . . . . 86 PHE CE2 . 11212 1 1090 . 1 1 86 86 PHE CZ C 13 129.630 0.300 . 1 . . . . 86 PHE CZ . 11212 1 1091 . 1 1 86 86 PHE N N 15 116.339 0.300 . 1 . . . . 86 PHE N . 11212 1 1092 . 1 1 87 87 ALA H H 1 7.637 0.030 . 1 . . . . 87 ALA H . 11212 1 1093 . 1 1 87 87 ALA HA H 1 4.169 0.030 . 1 . . . . 87 ALA HA . 11212 1 1094 . 1 1 87 87 ALA HB1 H 1 1.660 0.030 . 1 . . . . 87 ALA HB . 11212 1 1095 . 1 1 87 87 ALA HB2 H 1 1.660 0.030 . 1 . . . . 87 ALA HB . 11212 1 1096 . 1 1 87 87 ALA HB3 H 1 1.660 0.030 . 1 . . . . 87 ALA HB . 11212 1 1097 . 1 1 87 87 ALA C C 13 176.972 0.300 . 1 . . . . 87 ALA C . 11212 1 1098 . 1 1 87 87 ALA CA C 13 53.421 0.300 . 1 . . . . 87 ALA CA . 11212 1 1099 . 1 1 87 87 ALA CB C 13 20.014 0.300 . 1 . . . . 87 ALA CB . 11212 1 1100 . 1 1 87 87 ALA N N 15 123.330 0.300 . 1 . . . . 87 ALA N . 11212 1 1101 . 1 1 88 88 GLY H H 1 9.046 0.030 . 1 . . . . 88 GLY H . 11212 1 1102 . 1 1 88 88 GLY HA2 H 1 4.479 0.030 . 2 . . . . 88 GLY HA2 . 11212 1 1103 . 1 1 88 88 GLY HA3 H 1 3.875 0.030 . 2 . . . . 88 GLY HA3 . 11212 1 1104 . 1 1 88 88 GLY C C 13 170.897 0.300 . 1 . . . . 88 GLY C . 11212 1 1105 . 1 1 88 88 GLY CA C 13 44.605 0.300 . 1 . . . . 88 GLY CA . 11212 1 1106 . 1 1 88 88 GLY N N 15 108.180 0.300 . 1 . . . . 88 GLY N . 11212 1 1107 . 1 1 89 89 ASN H H 1 8.069 0.030 . 1 . . . . 89 ASN H . 11212 1 1108 . 1 1 89 89 ASN HA H 1 5.178 0.030 . 1 . . . . 89 ASN HA . 11212 1 1109 . 1 1 89 89 ASN HB2 H 1 2.652 0.030 . 2 . . . . 89 ASN HB2 . 11212 1 1110 . 1 1 89 89 ASN HB3 H 1 2.451 0.030 . 2 . . . . 89 ASN HB3 . 11212 1 1111 . 1 1 89 89 ASN HD21 H 1 6.546 0.030 . 2 . . . . 89 ASN HD21 . 11212 1 1112 . 1 1 89 89 ASN HD22 H 1 7.954 0.030 . 2 . . . . 89 ASN HD22 . 11212 1 1113 . 1 1 89 89 ASN C C 13 173.469 0.300 . 1 . . . . 89 ASN C . 11212 1 1114 . 1 1 89 89 ASN CA C 13 53.949 0.300 . 1 . . . . 89 ASN CA . 11212 1 1115 . 1 1 89 89 ASN CB C 13 41.695 0.300 . 1 . . . . 89 ASN CB . 11212 1 1116 . 1 1 89 89 ASN N N 15 118.747 0.300 . 1 . . . . 89 ASN N . 11212 1 1117 . 1 1 89 89 ASN ND2 N 15 112.324 0.300 . 1 . . . . 89 ASN ND2 . 11212 1 1118 . 1 1 90 90 TYR H H 1 9.069 0.030 . 1 . . . . 90 TYR H . 11212 1 1119 . 1 1 90 90 TYR HA H 1 4.949 0.030 . 1 . . . . 90 TYR HA . 11212 1 1120 . 1 1 90 90 TYR HB2 H 1 2.121 0.030 . 2 . . . . 90 TYR HB2 . 11212 1 1121 . 1 1 90 90 TYR HB3 H 1 1.051 0.030 . 2 . . . . 90 TYR HB3 . 11212 1 1122 . 1 1 90 90 TYR HD1 H 1 6.838 0.030 . 1 . . . . 90 TYR HD1 . 11212 1 1123 . 1 1 90 90 TYR HD2 H 1 6.838 0.030 . 1 . . . . 90 TYR HD2 . 11212 1 1124 . 1 1 90 90 TYR HE1 H 1 6.632 0.030 . 1 . . . . 90 TYR HE1 . 11212 1 1125 . 1 1 90 90 TYR HE2 H 1 6.632 0.030 . 1 . . . . 90 TYR HE2 . 11212 1 1126 . 1 1 90 90 TYR C C 13 174.703 0.300 . 1 . . . . 90 TYR C . 11212 1 1127 . 1 1 90 90 TYR CA C 13 56.696 0.300 . 1 . . . . 90 TYR CA . 11212 1 1128 . 1 1 90 90 TYR CB C 13 43.443 0.300 . 1 . . . . 90 TYR CB . 11212 1 1129 . 1 1 90 90 TYR CD1 C 13 133.118 0.300 . 1 . . . . 90 TYR CD1 . 11212 1 1130 . 1 1 90 90 TYR CD2 C 13 133.118 0.300 . 1 . . . . 90 TYR CD2 . 11212 1 1131 . 1 1 90 90 TYR CE1 C 13 116.590 0.300 . 1 . . . . 90 TYR CE1 . 11212 1 1132 . 1 1 90 90 TYR CE2 C 13 116.590 0.300 . 1 . . . . 90 TYR CE2 . 11212 1 1133 . 1 1 90 90 TYR N N 15 125.385 0.300 . 1 . . . . 90 TYR N . 11212 1 1134 . 1 1 91 91 ARG H H 1 8.958 0.030 . 1 . . . . 91 ARG H . 11212 1 1135 . 1 1 91 91 ARG HA H 1 5.331 0.030 . 1 . . . . 91 ARG HA . 11212 1 1136 . 1 1 91 91 ARG HB2 H 1 1.765 0.030 . 2 . . . . 91 ARG HB2 . 11212 1 1137 . 1 1 91 91 ARG HB3 H 1 1.677 0.030 . 2 . . . . 91 ARG HB3 . 11212 1 1138 . 1 1 91 91 ARG HD2 H 1 2.898 0.030 . 2 . . . . 91 ARG HD2 . 11212 1 1139 . 1 1 91 91 ARG HD3 H 1 2.967 0.030 . 2 . . . . 91 ARG HD3 . 11212 1 1140 . 1 1 91 91 ARG HG2 H 1 1.464 0.030 . 2 . . . . 91 ARG HG2 . 11212 1 1141 . 1 1 91 91 ARG HG3 H 1 1.381 0.030 . 2 . . . . 91 ARG HG3 . 11212 1 1142 . 1 1 91 91 ARG CA C 13 54.666 0.300 . 1 . . . . 91 ARG CA . 11212 1 1143 . 1 1 91 91 ARG CB C 13 34.603 0.300 . 1 . . . . 91 ARG CB . 11212 1 1144 . 1 1 91 91 ARG CD C 13 42.954 0.300 . 1 . . . . 91 ARG CD . 11212 1 1145 . 1 1 91 91 ARG CG C 13 28.633 0.300 . 1 . . . . 91 ARG CG . 11212 1 1146 . 1 1 91 91 ARG N N 15 115.946 0.300 . 1 . . . . 91 ARG N . 11212 1 1147 . 1 1 92 92 CYS H H 1 8.888 0.030 . 1 . . . . 92 CYS H . 11212 1 1148 . 1 1 92 92 CYS HA H 1 5.329 0.030 . 1 . . . . 92 CYS HA . 11212 1 1149 . 1 1 92 92 CYS HB2 H 1 2.269 0.030 . 2 . . . . 92 CYS HB2 . 11212 1 1150 . 1 1 92 92 CYS HB3 H 1 2.320 0.030 . 2 . . . . 92 CYS HB3 . 11212 1 1151 . 1 1 92 92 CYS CA C 13 56.151 0.300 . 1 . . . . 92 CYS CA . 11212 1 1152 . 1 1 92 92 CYS CB C 13 30.561 0.300 . 1 . . . . 92 CYS CB . 11212 1 1153 . 1 1 92 92 CYS N N 15 114.895 0.300 . 1 . . . . 92 CYS N . 11212 1 1154 . 1 1 93 93 GLU H H 1 9.155 0.030 . 1 . . . . 93 GLU H . 11212 1 1155 . 1 1 93 93 GLU HA H 1 4.976 0.030 . 1 . . . . 93 GLU HA . 11212 1 1156 . 1 1 93 93 GLU HB2 H 1 2.075 0.030 . 2 . . . . 93 GLU HB2 . 11212 1 1157 . 1 1 93 93 GLU HB3 H 1 1.985 0.030 . 2 . . . . 93 GLU HB3 . 11212 1 1158 . 1 1 93 93 GLU HG2 H 1 2.265 0.030 . 2 . . . . 93 GLU HG2 . 11212 1 1159 . 1 1 93 93 GLU HG3 H 1 2.218 0.030 . 2 . . . . 93 GLU HG3 . 11212 1 1160 . 1 1 93 93 GLU C C 13 174.995 0.300 . 1 . . . . 93 GLU C . 11212 1 1161 . 1 1 93 93 GLU CA C 13 54.526 0.300 . 1 . . . . 93 GLU CA . 11212 1 1162 . 1 1 93 93 GLU CB C 13 33.280 0.300 . 1 . . . . 93 GLU CB . 11212 1 1163 . 1 1 93 93 GLU CG C 13 36.628 0.300 . 1 . . . . 93 GLU CG . 11212 1 1164 . 1 1 94 94 VAL H H 1 8.835 0.030 . 1 . . . . 94 VAL H . 11212 1 1165 . 1 1 94 94 VAL HA H 1 4.988 0.030 . 1 . . . . 94 VAL HA . 11212 1 1166 . 1 1 94 94 VAL HB H 1 1.285 0.030 . 1 . . . . 94 VAL HB . 11212 1 1167 . 1 1 94 94 VAL HG11 H 1 0.249 0.030 . 1 . . . . 94 VAL HG1 . 11212 1 1168 . 1 1 94 94 VAL HG12 H 1 0.249 0.030 . 1 . . . . 94 VAL HG1 . 11212 1 1169 . 1 1 94 94 VAL HG13 H 1 0.249 0.030 . 1 . . . . 94 VAL HG1 . 11212 1 1170 . 1 1 94 94 VAL HG21 H 1 0.367 0.030 . 1 . . . . 94 VAL HG2 . 11212 1 1171 . 1 1 94 94 VAL HG22 H 1 0.367 0.030 . 1 . . . . 94 VAL HG2 . 11212 1 1172 . 1 1 94 94 VAL HG23 H 1 0.367 0.030 . 1 . . . . 94 VAL HG2 . 11212 1 1173 . 1 1 94 94 VAL CA C 13 58.886 0.300 . 1 . . . . 94 VAL CA . 11212 1 1174 . 1 1 94 94 VAL CB C 13 34.744 0.300 . 1 . . . . 94 VAL CB . 11212 1 1175 . 1 1 94 94 VAL CG1 C 13 21.202 0.300 . 2 . . . . 94 VAL CG1 . 11212 1 1176 . 1 1 94 94 VAL CG2 C 13 21.816 0.300 . 2 . . . . 94 VAL CG2 . 11212 1 1177 . 1 1 95 95 THR H H 1 8.377 0.030 . 1 . . . . 95 THR H . 11212 1 1178 . 1 1 95 95 THR HA H 1 4.986 0.030 . 1 . . . . 95 THR HA . 11212 1 1179 . 1 1 95 95 THR HB H 1 3.969 0.030 . 1 . . . . 95 THR HB . 11212 1 1180 . 1 1 95 95 THR HG21 H 1 1.252 0.030 . 1 . . . . 95 THR HG2 . 11212 1 1181 . 1 1 95 95 THR HG22 H 1 1.252 0.030 . 1 . . . . 95 THR HG2 . 11212 1 1182 . 1 1 95 95 THR HG23 H 1 1.252 0.030 . 1 . . . . 95 THR HG2 . 11212 1 1183 . 1 1 95 95 THR CA C 13 60.852 0.300 . 1 . . . . 95 THR CA . 11212 1 1184 . 1 1 95 95 THR CB C 13 70.878 0.300 . 1 . . . . 95 THR CB . 11212 1 1185 . 1 1 95 95 THR CG2 C 13 21.239 0.300 . 1 . . . . 95 THR CG2 . 11212 1 1186 . 1 1 96 96 TYR H H 1 8.442 0.030 . 1 . . . . 96 TYR H . 11212 1 1187 . 1 1 96 96 TYR HA H 1 4.837 0.030 . 1 . . . . 96 TYR HA . 11212 1 1188 . 1 1 96 96 TYR HB2 H 1 2.700 0.030 . 1 . . . . 96 TYR HB2 . 11212 1 1189 . 1 1 96 96 TYR HB3 H 1 2.700 0.030 . 1 . . . . 96 TYR HB3 . 11212 1 1190 . 1 1 96 96 TYR HD1 H 1 6.883 0.030 . 1 . . . . 96 TYR HD1 . 11212 1 1191 . 1 1 96 96 TYR HD2 H 1 6.883 0.030 . 1 . . . . 96 TYR HD2 . 11212 1 1192 . 1 1 96 96 TYR HE1 H 1 6.873 0.030 . 1 . . . . 96 TYR HE1 . 11212 1 1193 . 1 1 96 96 TYR HE2 H 1 6.873 0.030 . 1 . . . . 96 TYR HE2 . 11212 1 1194 . 1 1 96 96 TYR C C 13 173.430 0.300 . 1 . . . . 96 TYR C . 11212 1 1195 . 1 1 96 96 TYR CA C 13 56.578 0.300 . 1 . . . . 96 TYR CA . 11212 1 1196 . 1 1 96 96 TYR CB C 13 40.149 0.300 . 1 . . . . 96 TYR CB . 11212 1 1197 . 1 1 96 96 TYR CD1 C 13 132.186 0.300 . 1 . . . . 96 TYR CD1 . 11212 1 1198 . 1 1 96 96 TYR CD2 C 13 132.186 0.300 . 1 . . . . 96 TYR CD2 . 11212 1 1199 . 1 1 96 96 TYR CE1 C 13 118.254 0.300 . 1 . . . . 96 TYR CE1 . 11212 1 1200 . 1 1 96 96 TYR CE2 C 13 118.254 0.300 . 1 . . . . 96 TYR CE2 . 11212 1 1201 . 1 1 96 96 TYR N N 15 124.230 0.300 . 1 . . . . 96 TYR N . 11212 1 1202 . 1 1 97 97 LYS H H 1 9.018 0.030 . 1 . . . . 97 LYS H . 11212 1 1203 . 1 1 97 97 LYS HA H 1 3.391 0.030 . 1 . . . . 97 LYS HA . 11212 1 1204 . 1 1 97 97 LYS HB2 H 1 1.599 0.030 . 2 . . . . 97 LYS HB2 . 11212 1 1205 . 1 1 97 97 LYS HB3 H 1 1.553 0.030 . 2 . . . . 97 LYS HB3 . 11212 1 1206 . 1 1 97 97 LYS HD2 H 1 1.422 0.030 . 2 . . . . 97 LYS HD2 . 11212 1 1207 . 1 1 97 97 LYS HD3 H 1 1.379 0.030 . 2 . . . . 97 LYS HD3 . 11212 1 1208 . 1 1 97 97 LYS HE2 H 1 2.757 0.030 . 2 . . . . 97 LYS HE2 . 11212 1 1209 . 1 1 97 97 LYS HE3 H 1 2.721 0.030 . 2 . . . . 97 LYS HE3 . 11212 1 1210 . 1 1 97 97 LYS HG2 H 1 0.767 0.030 . 2 . . . . 97 LYS HG2 . 11212 1 1211 . 1 1 97 97 LYS HG3 H 1 0.344 0.030 . 2 . . . . 97 LYS HG3 . 11212 1 1212 . 1 1 97 97 LYS CA C 13 58.636 0.300 . 1 . . . . 97 LYS CA . 11212 1 1213 . 1 1 97 97 LYS CB C 13 29.129 0.300 . 1 . . . . 97 LYS CB . 11212 1 1214 . 1 1 97 97 LYS CD C 13 29.459 0.300 . 1 . . . . 97 LYS CD . 11212 1 1215 . 1 1 97 97 LYS CE C 13 41.632 0.300 . 1 . . . . 97 LYS CE . 11212 1 1216 . 1 1 97 97 LYS CG C 13 25.128 0.300 . 1 . . . . 97 LYS CG . 11212 1 1217 . 1 1 97 97 LYS N N 15 126.168 0.300 . 1 . . . . 97 LYS N . 11212 1 1218 . 1 1 98 98 ASP H H 1 8.649 0.030 . 1 . . . . 98 ASP H . 11212 1 1219 . 1 1 98 98 ASP HA H 1 4.535 0.030 . 1 . . . . 98 ASP HA . 11212 1 1220 . 1 1 98 98 ASP HB2 H 1 2.913 0.030 . 2 . . . . 98 ASP HB2 . 11212 1 1221 . 1 1 98 98 ASP HB3 H 1 2.675 0.030 . 2 . . . . 98 ASP HB3 . 11212 1 1222 . 1 1 98 98 ASP C C 13 175.060 0.300 . 1 . . . . 98 ASP C . 11212 1 1223 . 1 1 98 98 ASP CA C 13 54.373 0.300 . 1 . . . . 98 ASP CA . 11212 1 1224 . 1 1 98 98 ASP CB C 13 39.787 0.300 . 1 . . . . 98 ASP CB . 11212 1 1225 . 1 1 98 98 ASP N N 15 118.972 0.300 . 1 . . . . 98 ASP N . 11212 1 1226 . 1 1 99 99 LYS H H 1 8.287 0.030 . 1 . . . . 99 LYS H . 11212 1 1227 . 1 1 99 99 LYS HA H 1 4.823 0.030 . 1 . . . . 99 LYS HA . 11212 1 1228 . 1 1 99 99 LYS HB2 H 1 2.100 0.030 . 2 . . . . 99 LYS HB2 . 11212 1 1229 . 1 1 99 99 LYS HB3 H 1 1.723 0.030 . 2 . . . . 99 LYS HB3 . 11212 1 1230 . 1 1 99 99 LYS HD2 H 1 1.630 0.030 . 1 . . . . 99 LYS HD2 . 11212 1 1231 . 1 1 99 99 LYS HD3 H 1 1.630 0.030 . 1 . . . . 99 LYS HD3 . 11212 1 1232 . 1 1 99 99 LYS HE2 H 1 3.023 0.030 . 1 . . . . 99 LYS HE2 . 11212 1 1233 . 1 1 99 99 LYS HE3 H 1 3.023 0.030 . 1 . . . . 99 LYS HE3 . 11212 1 1234 . 1 1 99 99 LYS HG2 H 1 1.531 0.030 . 2 . . . . 99 LYS HG2 . 11212 1 1235 . 1 1 99 99 LYS HG3 H 1 1.455 0.030 . 2 . . . . 99 LYS HG3 . 11212 1 1236 . 1 1 99 99 LYS C C 13 175.014 0.300 . 1 . . . . 99 LYS C . 11212 1 1237 . 1 1 99 99 LYS CA C 13 55.037 0.300 . 1 . . . . 99 LYS CA . 11212 1 1238 . 1 1 99 99 LYS CB C 13 35.577 0.300 . 1 . . . . 99 LYS CB . 11212 1 1239 . 1 1 99 99 LYS CD C 13 28.986 0.300 . 1 . . . . 99 LYS CD . 11212 1 1240 . 1 1 99 99 LYS CE C 13 42.380 0.300 . 1 . . . . 99 LYS CE . 11212 1 1241 . 1 1 99 99 LYS CG C 13 25.105 0.300 . 1 . . . . 99 LYS CG . 11212 1 1242 . 1 1 99 99 LYS N N 15 120.135 0.300 . 1 . . . . 99 LYS N . 11212 1 1243 . 1 1 100 100 PHE H H 1 8.213 0.030 . 1 . . . . 100 PHE H . 11212 1 1244 . 1 1 100 100 PHE HA H 1 5.465 0.030 . 1 . . . . 100 PHE HA . 11212 1 1245 . 1 1 100 100 PHE HB2 H 1 2.778 0.030 . 2 . . . . 100 PHE HB2 . 11212 1 1246 . 1 1 100 100 PHE HB3 H 1 3.038 0.030 . 2 . . . . 100 PHE HB3 . 11212 1 1247 . 1 1 100 100 PHE HD1 H 1 7.129 0.030 . 1 . . . . 100 PHE HD1 . 11212 1 1248 . 1 1 100 100 PHE HD2 H 1 7.129 0.030 . 1 . . . . 100 PHE HD2 . 11212 1 1249 . 1 1 100 100 PHE HE1 H 1 7.219 0.030 . 1 . . . . 100 PHE HE1 . 11212 1 1250 . 1 1 100 100 PHE HE2 H 1 7.219 0.030 . 1 . . . . 100 PHE HE2 . 11212 1 1251 . 1 1 100 100 PHE HZ H 1 7.056 0.030 . 1 . . . . 100 PHE HZ . 11212 1 1252 . 1 1 100 100 PHE C C 13 173.476 0.300 . 1 . . . . 100 PHE C . 11212 1 1253 . 1 1 100 100 PHE CA C 13 56.158 0.300 . 1 . . . . 100 PHE CA . 11212 1 1254 . 1 1 100 100 PHE CB C 13 43.422 0.300 . 1 . . . . 100 PHE CB . 11212 1 1255 . 1 1 100 100 PHE CD1 C 13 132.163 0.300 . 1 . . . . 100 PHE CD1 . 11212 1 1256 . 1 1 100 100 PHE CD2 C 13 132.163 0.300 . 1 . . . . 100 PHE CD2 . 11212 1 1257 . 1 1 100 100 PHE CE1 C 13 130.856 0.300 . 1 . . . . 100 PHE CE1 . 11212 1 1258 . 1 1 100 100 PHE CE2 C 13 130.856 0.300 . 1 . . . . 100 PHE CE2 . 11212 1 1259 . 1 1 100 100 PHE CZ C 13 129.140 0.300 . 1 . . . . 100 PHE CZ . 11212 1 1260 . 1 1 100 100 PHE N N 15 121.500 0.300 . 1 . . . . 100 PHE N . 11212 1 1261 . 1 1 101 101 ASP H H 1 8.361 0.030 . 1 . . . . 101 ASP H . 11212 1 1262 . 1 1 101 101 ASP HA H 1 4.813 0.030 . 1 . . . . 101 ASP HA . 11212 1 1263 . 1 1 101 101 ASP HB2 H 1 2.380 0.030 . 1 . . . . 101 ASP HB2 . 11212 1 1264 . 1 1 101 101 ASP HB3 H 1 2.380 0.030 . 1 . . . . 101 ASP HB3 . 11212 1 1265 . 1 1 101 101 ASP C C 13 173.230 0.300 . 1 . . . . 101 ASP C . 11212 1 1266 . 1 1 101 101 ASP CA C 13 52.662 0.300 . 1 . . . . 101 ASP CA . 11212 1 1267 . 1 1 101 101 ASP CB C 13 45.651 0.300 . 1 . . . . 101 ASP CB . 11212 1 1268 . 1 1 101 101 ASP N N 15 124.762 0.300 . 1 . . . . 101 ASP N . 11212 1 1269 . 1 1 102 102 SER H H 1 8.838 0.030 . 1 . . . . 102 SER H . 11212 1 1270 . 1 1 102 102 SER HA H 1 5.682 0.030 . 1 . . . . 102 SER HA . 11212 1 1271 . 1 1 102 102 SER HB2 H 1 3.811 0.030 . 1 . . . . 102 SER HB2 . 11212 1 1272 . 1 1 102 102 SER HB3 H 1 3.811 0.030 . 1 . . . . 102 SER HB3 . 11212 1 1273 . 1 1 102 102 SER C C 13 173.145 0.300 . 1 . . . . 102 SER C . 11212 1 1274 . 1 1 102 102 SER CA C 13 56.599 0.300 . 1 . . . . 102 SER CA . 11212 1 1275 . 1 1 102 102 SER CB C 13 66.567 0.300 . 1 . . . . 102 SER CB . 11212 1 1276 . 1 1 102 102 SER N N 15 114.893 0.300 . 1 . . . . 102 SER N . 11212 1 1277 . 1 1 103 103 CYS H H 1 8.937 0.030 . 1 . . . . 103 CYS H . 11212 1 1278 . 1 1 103 103 CYS HA H 1 4.965 0.030 . 1 . . . . 103 CYS HA . 11212 1 1279 . 1 1 103 103 CYS HB2 H 1 2.916 0.030 . 1 . . . . 103 CYS HB2 . 11212 1 1280 . 1 1 103 103 CYS HB3 H 1 2.916 0.030 . 1 . . . . 103 CYS HB3 . 11212 1 1281 . 1 1 103 103 CYS C C 13 172.366 0.300 . 1 . . . . 103 CYS C . 11212 1 1282 . 1 1 103 103 CYS CA C 13 57.098 0.300 . 1 . . . . 103 CYS CA . 11212 1 1283 . 1 1 103 103 CYS CB C 13 30.467 0.300 . 1 . . . . 103 CYS CB . 11212 1 1284 . 1 1 103 103 CYS N N 15 119.085 0.300 . 1 . . . . 103 CYS N . 11212 1 1285 . 1 1 104 104 SER H H 1 8.768 0.030 . 1 . . . . 104 SER H . 11212 1 1286 . 1 1 104 104 SER HA H 1 5.534 0.030 . 1 . . . . 104 SER HA . 11212 1 1287 . 1 1 104 104 SER HB2 H 1 3.842 0.030 . 1 . . . . 104 SER HB2 . 11212 1 1288 . 1 1 104 104 SER HB3 H 1 3.842 0.030 . 1 . . . . 104 SER HB3 . 11212 1 1289 . 1 1 104 104 SER C C 13 173.526 0.300 . 1 . . . . 104 SER C . 11212 1 1290 . 1 1 104 104 SER CA C 13 57.272 0.300 . 1 . . . . 104 SER CA . 11212 1 1291 . 1 1 104 104 SER CB C 13 65.594 0.300 . 1 . . . . 104 SER CB . 11212 1 1292 . 1 1 104 104 SER N N 15 118.691 0.300 . 1 . . . . 104 SER N . 11212 1 1293 . 1 1 105 105 PHE H H 1 8.680 0.030 . 1 . . . . 105 PHE H . 11212 1 1294 . 1 1 105 105 PHE HA H 1 4.855 0.030 . 1 . . . . 105 PHE HA . 11212 1 1295 . 1 1 105 105 PHE HB2 H 1 2.507 0.030 . 2 . . . . 105 PHE HB2 . 11212 1 1296 . 1 1 105 105 PHE HB3 H 1 3.062 0.030 . 2 . . . . 105 PHE HB3 . 11212 1 1297 . 1 1 105 105 PHE HD1 H 1 6.423 0.030 . 1 . . . . 105 PHE HD1 . 11212 1 1298 . 1 1 105 105 PHE HD2 H 1 6.423 0.030 . 1 . . . . 105 PHE HD2 . 11212 1 1299 . 1 1 105 105 PHE HE1 H 1 6.744 0.030 . 1 . . . . 105 PHE HE1 . 11212 1 1300 . 1 1 105 105 PHE HE2 H 1 6.744 0.030 . 1 . . . . 105 PHE HE2 . 11212 1 1301 . 1 1 105 105 PHE HZ H 1 6.793 0.030 . 1 . . . . 105 PHE HZ . 11212 1 1302 . 1 1 105 105 PHE C C 13 171.482 0.300 . 1 . . . . 105 PHE C . 11212 1 1303 . 1 1 105 105 PHE CA C 13 56.543 0.300 . 1 . . . . 105 PHE CA . 11212 1 1304 . 1 1 105 105 PHE CB C 13 39.467 0.300 . 1 . . . . 105 PHE CB . 11212 1 1305 . 1 1 105 105 PHE CD1 C 13 132.381 0.300 . 1 . . . . 105 PHE CD1 . 11212 1 1306 . 1 1 105 105 PHE CD2 C 13 132.381 0.300 . 1 . . . . 105 PHE CD2 . 11212 1 1307 . 1 1 105 105 PHE CE1 C 13 133.116 0.300 . 1 . . . . 105 PHE CE1 . 11212 1 1308 . 1 1 105 105 PHE CE2 C 13 133.116 0.300 . 1 . . . . 105 PHE CE2 . 11212 1 1309 . 1 1 105 105 PHE CZ C 13 128.619 0.300 . 1 . . . . 105 PHE CZ . 11212 1 1310 . 1 1 105 105 PHE N N 15 120.868 0.300 . 1 . . . . 105 PHE N . 11212 1 1311 . 1 1 106 106 ASP H H 1 8.557 0.030 . 1 . . . . 106 ASP H . 11212 1 1312 . 1 1 106 106 ASP HA H 1 5.647 0.030 . 1 . . . . 106 ASP HA . 11212 1 1313 . 1 1 106 106 ASP HB2 H 1 2.574 0.030 . 1 . . . . 106 ASP HB2 . 11212 1 1314 . 1 1 106 106 ASP HB3 H 1 2.574 0.030 . 1 . . . . 106 ASP HB3 . 11212 1 1315 . 1 1 106 106 ASP C C 13 174.644 0.300 . 1 . . . . 106 ASP C . 11212 1 1316 . 1 1 106 106 ASP CA C 13 53.726 0.300 . 1 . . . . 106 ASP CA . 11212 1 1317 . 1 1 106 106 ASP CB C 13 44.665 0.300 . 1 . . . . 106 ASP CB . 11212 1 1318 . 1 1 106 106 ASP N N 15 119.099 0.300 . 1 . . . . 106 ASP N . 11212 1 1319 . 1 1 107 107 LEU H H 1 9.116 0.030 . 1 . . . . 107 LEU H . 11212 1 1320 . 1 1 107 107 LEU HA H 1 5.411 0.030 . 1 . . . . 107 LEU HA . 11212 1 1321 . 1 1 107 107 LEU HB2 H 1 2.308 0.030 . 2 . . . . 107 LEU HB2 . 11212 1 1322 . 1 1 107 107 LEU HB3 H 1 1.262 0.030 . 2 . . . . 107 LEU HB3 . 11212 1 1323 . 1 1 107 107 LEU HD11 H 1 0.865 0.030 . 1 . . . . 107 LEU HD1 . 11212 1 1324 . 1 1 107 107 LEU HD12 H 1 0.865 0.030 . 1 . . . . 107 LEU HD1 . 11212 1 1325 . 1 1 107 107 LEU HD13 H 1 0.865 0.030 . 1 . . . . 107 LEU HD1 . 11212 1 1326 . 1 1 107 107 LEU HD21 H 1 1.108 0.030 . 1 . . . . 107 LEU HD2 . 11212 1 1327 . 1 1 107 107 LEU HD22 H 1 1.108 0.030 . 1 . . . . 107 LEU HD2 . 11212 1 1328 . 1 1 107 107 LEU HD23 H 1 1.108 0.030 . 1 . . . . 107 LEU HD2 . 11212 1 1329 . 1 1 107 107 LEU HG H 1 1.369 0.030 . 1 . . . . 107 LEU HG . 11212 1 1330 . 1 1 107 107 LEU C C 13 176.478 0.300 . 1 . . . . 107 LEU C . 11212 1 1331 . 1 1 107 107 LEU CA C 13 53.318 0.300 . 1 . . . . 107 LEU CA . 11212 1 1332 . 1 1 107 107 LEU CB C 13 46.311 0.300 . 1 . . . . 107 LEU CB . 11212 1 1333 . 1 1 107 107 LEU CD1 C 13 25.679 0.300 . 2 . . . . 107 LEU CD1 . 11212 1 1334 . 1 1 107 107 LEU CD2 C 13 24.027 0.300 . 2 . . . . 107 LEU CD2 . 11212 1 1335 . 1 1 107 107 LEU CG C 13 27.698 0.300 . 1 . . . . 107 LEU CG . 11212 1 1336 . 1 1 107 107 LEU N N 15 121.225 0.300 . 1 . . . . 107 LEU N . 11212 1 1337 . 1 1 108 108 GLU H H 1 8.743 0.030 . 1 . . . . 108 GLU H . 11212 1 1338 . 1 1 108 108 GLU HA H 1 4.838 0.030 . 1 . . . . 108 GLU HA . 11212 1 1339 . 1 1 108 108 GLU HB2 H 1 2.057 0.030 . 2 . . . . 108 GLU HB2 . 11212 1 1340 . 1 1 108 108 GLU HB3 H 1 1.992 0.030 . 2 . . . . 108 GLU HB3 . 11212 1 1341 . 1 1 108 108 GLU HG2 H 1 2.346 0.030 . 2 . . . . 108 GLU HG2 . 11212 1 1342 . 1 1 108 108 GLU HG3 H 1 2.215 0.030 . 2 . . . . 108 GLU HG3 . 11212 1 1343 . 1 1 108 108 GLU C C 13 174.720 0.300 . 1 . . . . 108 GLU C . 11212 1 1344 . 1 1 108 108 GLU CA C 13 54.872 0.300 . 1 . . . . 108 GLU CA . 11212 1 1345 . 1 1 108 108 GLU CB C 13 32.164 0.300 . 1 . . . . 108 GLU CB . 11212 1 1346 . 1 1 108 108 GLU CG C 13 36.294 0.300 . 1 . . . . 108 GLU CG . 11212 1 1347 . 1 1 108 108 GLU N N 15 128.407 0.300 . 1 . . . . 108 GLU N . 11212 1 1348 . 1 1 109 109 VAL H H 1 8.527 0.030 . 1 . . . . 109 VAL H . 11212 1 1349 . 1 1 109 109 VAL HA H 1 5.115 0.030 . 1 . . . . 109 VAL HA . 11212 1 1350 . 1 1 109 109 VAL HB H 1 1.922 0.030 . 1 . . . . 109 VAL HB . 11212 1 1351 . 1 1 109 109 VAL HG11 H 1 0.603 0.030 . 1 . . . . 109 VAL HG1 . 11212 1 1352 . 1 1 109 109 VAL HG12 H 1 0.603 0.030 . 1 . . . . 109 VAL HG1 . 11212 1 1353 . 1 1 109 109 VAL HG13 H 1 0.603 0.030 . 1 . . . . 109 VAL HG1 . 11212 1 1354 . 1 1 109 109 VAL HG21 H 1 0.740 0.030 . 1 . . . . 109 VAL HG2 . 11212 1 1355 . 1 1 109 109 VAL HG22 H 1 0.740 0.030 . 1 . . . . 109 VAL HG2 . 11212 1 1356 . 1 1 109 109 VAL HG23 H 1 0.740 0.030 . 1 . . . . 109 VAL HG2 . 11212 1 1357 . 1 1 109 109 VAL C C 13 175.574 0.300 . 1 . . . . 109 VAL C . 11212 1 1358 . 1 1 109 109 VAL CA C 13 60.447 0.300 . 1 . . . . 109 VAL CA . 11212 1 1359 . 1 1 109 109 VAL CB C 13 33.518 0.300 . 1 . . . . 109 VAL CB . 11212 1 1360 . 1 1 109 109 VAL CG1 C 13 21.370 0.300 . 2 . . . . 109 VAL CG1 . 11212 1 1361 . 1 1 109 109 VAL CG2 C 13 19.770 0.300 . 2 . . . . 109 VAL CG2 . 11212 1 1362 . 1 1 109 109 VAL N N 15 122.606 0.300 . 1 . . . . 109 VAL N . 11212 1 1363 . 1 1 110 110 HIS H H 1 8.918 0.030 . 1 . . . . 110 HIS H . 11212 1 1364 . 1 1 110 110 HIS HA H 1 5.025 0.030 . 1 . . . . 110 HIS HA . 11212 1 1365 . 1 1 110 110 HIS HB2 H 1 3.157 0.030 . 2 . . . . 110 HIS HB2 . 11212 1 1366 . 1 1 110 110 HIS HB3 H 1 2.837 0.030 . 2 . . . . 110 HIS HB3 . 11212 1 1367 . 1 1 110 110 HIS HD2 H 1 6.843 0.030 . 1 . . . . 110 HIS HD2 . 11212 1 1368 . 1 1 110 110 HIS HE1 H 1 7.887 0.030 . 1 . . . . 110 HIS HE1 . 11212 1 1369 . 1 1 110 110 HIS C C 13 174.665 0.300 . 1 . . . . 110 HIS C . 11212 1 1370 . 1 1 110 110 HIS CA C 13 53.843 0.300 . 1 . . . . 110 HIS CA . 11212 1 1371 . 1 1 110 110 HIS CB C 13 33.516 0.300 . 1 . . . . 110 HIS CB . 11212 1 1372 . 1 1 110 110 HIS CD2 C 13 117.672 0.300 . 1 . . . . 110 HIS CD2 . 11212 1 1373 . 1 1 110 110 HIS CE1 C 13 138.212 0.300 . 1 . . . . 110 HIS CE1 . 11212 1 1374 . 1 1 110 110 HIS N N 15 126.747 0.300 . 1 . . . . 110 HIS N . 11212 1 1375 . 1 1 111 111 GLU H H 1 8.738 0.030 . 1 . . . . 111 GLU H . 11212 1 1376 . 1 1 111 111 GLU HA H 1 4.302 0.030 . 1 . . . . 111 GLU HA . 11212 1 1377 . 1 1 111 111 GLU HB2 H 1 2.110 0.030 . 2 . . . . 111 GLU HB2 . 11212 1 1378 . 1 1 111 111 GLU HB3 H 1 1.969 0.030 . 2 . . . . 111 GLU HB3 . 11212 1 1379 . 1 1 111 111 GLU HG2 H 1 2.327 0.030 . 2 . . . . 111 GLU HG2 . 11212 1 1380 . 1 1 111 111 GLU HG3 H 1 2.291 0.030 . 2 . . . . 111 GLU HG3 . 11212 1 1381 . 1 1 111 111 GLU C C 13 176.282 0.300 . 1 . . . . 111 GLU C . 11212 1 1382 . 1 1 111 111 GLU CA C 13 56.573 0.300 . 1 . . . . 111 GLU CA . 11212 1 1383 . 1 1 111 111 GLU CB C 13 30.595 0.300 . 1 . . . . 111 GLU CB . 11212 1 1384 . 1 1 111 111 GLU CG C 13 36.205 0.300 . 1 . . . . 111 GLU CG . 11212 1 1385 . 1 1 111 111 GLU N N 15 121.838 0.300 . 1 . . . . 111 GLU N . 11212 1 1386 . 1 1 112 112 SER H H 1 8.692 0.030 . 1 . . . . 112 SER H . 11212 1 1387 . 1 1 112 112 SER HA H 1 4.521 0.030 . 1 . . . . 112 SER HA . 11212 1 1388 . 1 1 112 112 SER HB2 H 1 3.916 0.030 . 2 . . . . 112 SER HB2 . 11212 1 1389 . 1 1 112 112 SER HB3 H 1 3.882 0.030 . 2 . . . . 112 SER HB3 . 11212 1 1390 . 1 1 112 112 SER C C 13 174.971 0.300 . 1 . . . . 112 SER C . 11212 1 1391 . 1 1 112 112 SER CA C 13 58.178 0.300 . 1 . . . . 112 SER CA . 11212 1 1392 . 1 1 112 112 SER CB C 13 63.894 0.300 . 1 . . . . 112 SER CB . 11212 1 1393 . 1 1 112 112 SER N N 15 116.516 0.300 . 1 . . . . 112 SER N . 11212 1 1394 . 1 1 113 113 THR H H 1 8.374 0.030 . 1 . . . . 113 THR H . 11212 1 1395 . 1 1 113 113 THR HA H 1 4.397 0.030 . 1 . . . . 113 THR HA . 11212 1 1396 . 1 1 113 113 THR HB H 1 4.289 0.030 . 1 . . . . 113 THR HB . 11212 1 1397 . 1 1 113 113 THR HG21 H 1 1.213 0.030 . 1 . . . . 113 THR HG2 . 11212 1 1398 . 1 1 113 113 THR HG22 H 1 1.213 0.030 . 1 . . . . 113 THR HG2 . 11212 1 1399 . 1 1 113 113 THR HG23 H 1 1.213 0.030 . 1 . . . . 113 THR HG2 . 11212 1 1400 . 1 1 113 113 THR C C 13 175.142 0.300 . 1 . . . . 113 THR C . 11212 1 1401 . 1 1 113 113 THR CA C 13 61.971 0.300 . 1 . . . . 113 THR CA . 11212 1 1402 . 1 1 113 113 THR CB C 13 69.683 0.300 . 1 . . . . 113 THR CB . 11212 1 1403 . 1 1 113 113 THR CG2 C 13 21.619 0.300 . 1 . . . . 113 THR CG2 . 11212 1 1404 . 1 1 113 113 THR N N 15 115.929 0.300 . 1 . . . . 113 THR N . 11212 1 1405 . 1 1 114 114 GLY H H 1 8.476 0.030 . 1 . . . . 114 GLY H . 11212 1 1406 . 1 1 114 114 GLY HA2 H 1 4.029 0.030 . 1 . . . . 114 GLY HA2 . 11212 1 1407 . 1 1 114 114 GLY HA3 H 1 4.029 0.030 . 1 . . . . 114 GLY HA3 . 11212 1 1408 . 1 1 114 114 GLY C C 13 174.219 0.300 . 1 . . . . 114 GLY C . 11212 1 1409 . 1 1 114 114 GLY CA C 13 45.279 0.300 . 1 . . . . 114 GLY CA . 11212 1 1410 . 1 1 114 114 GLY N N 15 111.191 0.300 . 1 . . . . 114 GLY N . 11212 1 1411 . 1 1 115 115 THR H H 1 8.133 0.030 . 1 . . . . 115 THR H . 11212 1 1412 . 1 1 115 115 THR HA H 1 4.397 0.030 . 1 . . . . 115 THR HA . 11212 1 1413 . 1 1 115 115 THR HB H 1 4.191 0.030 . 1 . . . . 115 THR HB . 11212 1 1414 . 1 1 115 115 THR HG21 H 1 1.168 0.030 . 1 . . . . 115 THR HG2 . 11212 1 1415 . 1 1 115 115 THR HG22 H 1 1.168 0.030 . 1 . . . . 115 THR HG2 . 11212 1 1416 . 1 1 115 115 THR HG23 H 1 1.168 0.030 . 1 . . . . 115 THR HG2 . 11212 1 1417 . 1 1 115 115 THR C C 13 174.596 0.300 . 1 . . . . 115 THR C . 11212 1 1418 . 1 1 115 115 THR CA C 13 61.643 0.300 . 1 . . . . 115 THR CA . 11212 1 1419 . 1 1 115 115 THR CB C 13 69.933 0.300 . 1 . . . . 115 THR CB . 11212 1 1420 . 1 1 115 115 THR CG2 C 13 21.562 0.300 . 1 . . . . 115 THR CG2 . 11212 1 1421 . 1 1 115 115 THR N N 15 113.751 0.300 . 1 . . . . 115 THR N . 11212 1 1422 . 1 1 116 116 THR H H 1 8.342 0.030 . 1 . . . . 116 THR H . 11212 1 1423 . 1 1 116 116 THR HA H 1 4.620 0.030 . 1 . . . . 116 THR HA . 11212 1 1424 . 1 1 116 116 THR HB H 1 4.151 0.030 . 1 . . . . 116 THR HB . 11212 1 1425 . 1 1 116 116 THR HG21 H 1 1.242 0.030 . 1 . . . . 116 THR HG2 . 11212 1 1426 . 1 1 116 116 THR HG22 H 1 1.242 0.030 . 1 . . . . 116 THR HG2 . 11212 1 1427 . 1 1 116 116 THR HG23 H 1 1.242 0.030 . 1 . . . . 116 THR HG2 . 11212 1 1428 . 1 1 116 116 THR C C 13 172.814 0.300 . 1 . . . . 116 THR C . 11212 1 1429 . 1 1 116 116 THR CA C 13 59.801 0.300 . 1 . . . . 116 THR CA . 11212 1 1430 . 1 1 116 116 THR CB C 13 69.721 0.300 . 1 . . . . 116 THR CB . 11212 1 1431 . 1 1 116 116 THR CG2 C 13 21.375 0.300 . 1 . . . . 116 THR CG2 . 11212 1 1432 . 1 1 116 116 THR N N 15 119.490 0.300 . 1 . . . . 116 THR N . 11212 1 1433 . 1 1 117 117 PRO HA H 1 4.403 0.030 . 1 . . . . 117 PRO HA . 11212 1 1434 . 1 1 117 117 PRO HB2 H 1 2.280 0.030 . 2 . . . . 117 PRO HB2 . 11212 1 1435 . 1 1 117 117 PRO HB3 H 1 1.880 0.030 . 2 . . . . 117 PRO HB3 . 11212 1 1436 . 1 1 117 117 PRO HD2 H 1 3.849 0.030 . 2 . . . . 117 PRO HD2 . 11212 1 1437 . 1 1 117 117 PRO HD3 H 1 3.716 0.030 . 2 . . . . 117 PRO HD3 . 11212 1 1438 . 1 1 117 117 PRO HG2 H 1 2.019 0.030 . 2 . . . . 117 PRO HG2 . 11212 1 1439 . 1 1 117 117 PRO HG3 H 1 1.982 0.030 . 2 . . . . 117 PRO HG3 . 11212 1 1440 . 1 1 117 117 PRO C C 13 176.474 0.300 . 1 . . . . 117 PRO C . 11212 1 1441 . 1 1 117 117 PRO CA C 13 63.162 0.300 . 1 . . . . 117 PRO CA . 11212 1 1442 . 1 1 117 117 PRO CB C 13 32.186 0.300 . 1 . . . . 117 PRO CB . 11212 1 1443 . 1 1 117 117 PRO CD C 13 51.061 0.300 . 1 . . . . 117 PRO CD . 11212 1 1444 . 1 1 117 117 PRO CG C 13 27.289 0.300 . 1 . . . . 117 PRO CG . 11212 1 1445 . 1 1 118 118 ASN H H 1 8.568 0.030 . 1 . . . . 118 ASN H . 11212 1 1446 . 1 1 118 118 ASN HA H 1 4.678 0.030 . 1 . . . . 118 ASN HA . 11212 1 1447 . 1 1 118 118 ASN HB2 H 1 2.818 0.030 . 2 . . . . 118 ASN HB2 . 11212 1 1448 . 1 1 118 118 ASN HB3 H 1 2.745 0.030 . 2 . . . . 118 ASN HB3 . 11212 1 1449 . 1 1 118 118 ASN HD21 H 1 7.634 0.030 . 2 . . . . 118 ASN HD21 . 11212 1 1450 . 1 1 118 118 ASN HD22 H 1 6.956 0.030 . 2 . . . . 118 ASN HD22 . 11212 1 1451 . 1 1 118 118 ASN C C 13 175.262 0.300 . 1 . . . . 118 ASN C . 11212 1 1452 . 1 1 118 118 ASN CA C 13 53.352 0.300 . 1 . . . . 118 ASN CA . 11212 1 1453 . 1 1 118 118 ASN CB C 13 38.827 0.300 . 1 . . . . 118 ASN CB . 11212 1 1454 . 1 1 118 118 ASN N N 15 119.452 0.300 . 1 . . . . 118 ASN N . 11212 1 1455 . 1 1 118 118 ASN ND2 N 15 113.228 0.300 . 1 . . . . 118 ASN ND2 . 11212 1 1456 . 1 1 119 119 ILE H H 1 8.178 0.030 . 1 . . . . 119 ILE H . 11212 1 1457 . 1 1 119 119 ILE HA H 1 4.190 0.030 . 1 . . . . 119 ILE HA . 11212 1 1458 . 1 1 119 119 ILE HB H 1 1.878 0.030 . 1 . . . . 119 ILE HB . 11212 1 1459 . 1 1 119 119 ILE HD11 H 1 0.854 0.030 . 1 . . . . 119 ILE HD1 . 11212 1 1460 . 1 1 119 119 ILE HD12 H 1 0.854 0.030 . 1 . . . . 119 ILE HD1 . 11212 1 1461 . 1 1 119 119 ILE HD13 H 1 0.854 0.030 . 1 . . . . 119 ILE HD1 . 11212 1 1462 . 1 1 119 119 ILE HG12 H 1 1.422 0.030 . 2 . . . . 119 ILE HG12 . 11212 1 1463 . 1 1 119 119 ILE HG13 H 1 1.161 0.030 . 2 . . . . 119 ILE HG13 . 11212 1 1464 . 1 1 119 119 ILE HG21 H 1 0.891 0.030 . 1 . . . . 119 ILE HG2 . 11212 1 1465 . 1 1 119 119 ILE HG22 H 1 0.891 0.030 . 1 . . . . 119 ILE HG2 . 11212 1 1466 . 1 1 119 119 ILE HG23 H 1 0.891 0.030 . 1 . . . . 119 ILE HG2 . 11212 1 1467 . 1 1 119 119 ILE C C 13 175.873 0.300 . 1 . . . . 119 ILE C . 11212 1 1468 . 1 1 119 119 ILE CA C 13 61.127 0.300 . 1 . . . . 119 ILE CA . 11212 1 1469 . 1 1 119 119 ILE CB C 13 38.905 0.300 . 1 . . . . 119 ILE CB . 11212 1 1470 . 1 1 119 119 ILE CD1 C 13 13.114 0.300 . 1 . . . . 119 ILE CD1 . 11212 1 1471 . 1 1 119 119 ILE CG1 C 13 27.115 0.300 . 1 . . . . 119 ILE CG1 . 11212 1 1472 . 1 1 119 119 ILE CG2 C 13 17.530 0.300 . 1 . . . . 119 ILE CG2 . 11212 1 1473 . 1 1 119 119 ILE N N 15 121.377 0.300 . 1 . . . . 119 ILE N . 11212 1 1474 . 1 1 120 120 ASP H H 1 8.434 0.030 . 1 . . . . 120 ASP H . 11212 1 1475 . 1 1 120 120 ASP HA H 1 4.666 0.030 . 1 . . . . 120 ASP HA . 11212 1 1476 . 1 1 120 120 ASP HB2 H 1 2.740 0.030 . 2 . . . . 120 ASP HB2 . 11212 1 1477 . 1 1 120 120 ASP HB3 H 1 2.626 0.030 . 2 . . . . 120 ASP HB3 . 11212 1 1478 . 1 1 120 120 ASP C C 13 176.220 0.300 . 1 . . . . 120 ASP C . 11212 1 1479 . 1 1 120 120 ASP CA C 13 54.346 0.300 . 1 . . . . 120 ASP CA . 11212 1 1480 . 1 1 120 120 ASP CB C 13 41.279 0.300 . 1 . . . . 120 ASP CB . 11212 1 1481 . 1 1 120 120 ASP N N 15 124.349 0.300 . 1 . . . . 120 ASP N . 11212 1 1482 . 1 1 121 121 SER H H 1 8.292 0.030 . 1 . . . . 121 SER H . 11212 1 1483 . 1 1 121 121 SER HA H 1 4.472 0.030 . 1 . . . . 121 SER HA . 11212 1 1484 . 1 1 121 121 SER HB2 H 1 3.922 0.030 . 2 . . . . 121 SER HB2 . 11212 1 1485 . 1 1 121 121 SER HB3 H 1 3.861 0.030 . 2 . . . . 121 SER HB3 . 11212 1 1486 . 1 1 121 121 SER C C 13 174.801 0.300 . 1 . . . . 121 SER C . 11212 1 1487 . 1 1 121 121 SER CA C 13 58.357 0.300 . 1 . . . . 121 SER CA . 11212 1 1488 . 1 1 121 121 SER CB C 13 63.894 0.300 . 1 . . . . 121 SER CB . 11212 1 1489 . 1 1 121 121 SER N N 15 116.817 0.300 . 1 . . . . 121 SER N . 11212 1 1490 . 1 1 122 122 GLY H H 1 8.339 0.030 . 1 . . . . 122 GLY H . 11212 1 1491 . 1 1 122 122 GLY HA2 H 1 4.106 0.030 . 1 . . . . 122 GLY HA2 . 11212 1 1492 . 1 1 122 122 GLY HA3 H 1 4.106 0.030 . 1 . . . . 122 GLY HA3 . 11212 1 1493 . 1 1 122 122 GLY C C 13 171.881 0.300 . 1 . . . . 122 GLY C . 11212 1 1494 . 1 1 122 122 GLY CA C 13 44.726 0.300 . 1 . . . . 122 GLY CA . 11212 1 1495 . 1 1 122 122 GLY N N 15 110.740 0.300 . 1 . . . . 122 GLY N . 11212 1 1496 . 1 1 123 123 PRO HA H 1 4.474 0.030 . 1 . . . . 123 PRO HA . 11212 1 1497 . 1 1 123 123 PRO HB2 H 1 2.257 0.030 . 2 . . . . 123 PRO HB2 . 11212 1 1498 . 1 1 123 123 PRO HB3 H 1 2.002 0.030 . 2 . . . . 123 PRO HB3 . 11212 1 1499 . 1 1 123 123 PRO HD2 H 1 3.574 0.030 . 1 . . . . 123 PRO HD2 . 11212 1 1500 . 1 1 123 123 PRO HD3 H 1 3.574 0.030 . 1 . . . . 123 PRO HD3 . 11212 1 1501 . 1 1 123 123 PRO HG2 H 1 1.993 0.030 . 1 . . . . 123 PRO HG2 . 11212 1 1502 . 1 1 123 123 PRO HG3 H 1 1.993 0.030 . 1 . . . . 123 PRO HG3 . 11212 1 1503 . 1 1 123 123 PRO C C 13 177.283 0.300 . 1 . . . . 123 PRO C . 11212 1 1504 . 1 1 123 123 PRO CA C 13 63.186 0.300 . 1 . . . . 123 PRO CA . 11212 1 1505 . 1 1 123 123 PRO CB C 13 32.012 0.300 . 1 . . . . 123 PRO CB . 11212 1 1506 . 1 1 123 123 PRO CD C 13 49.701 0.300 . 1 . . . . 123 PRO CD . 11212 1 1507 . 1 1 123 123 PRO CG C 13 27.168 0.300 . 1 . . . . 123 PRO CG . 11212 1 1508 . 1 1 124 124 SER H H 1 8.540 0.030 . 1 . . . . 124 SER H . 11212 1 1509 . 1 1 124 124 SER HA H 1 4.499 0.030 . 1 . . . . 124 SER HA . 11212 1 1510 . 1 1 124 124 SER HB2 H 1 3.922 0.030 . 1 . . . . 124 SER HB2 . 11212 1 1511 . 1 1 124 124 SER HB3 H 1 3.922 0.030 . 1 . . . . 124 SER HB3 . 11212 1 1512 . 1 1 124 124 SER C C 13 174.704 0.300 . 1 . . . . 124 SER C . 11212 1 1513 . 1 1 124 124 SER CA C 13 58.296 0.300 . 1 . . . . 124 SER CA . 11212 1 1514 . 1 1 124 124 SER CB C 13 63.928 0.300 . 1 . . . . 124 SER CB . 11212 1 1515 . 1 1 124 124 SER N N 15 116.628 0.300 . 1 . . . . 124 SER N . 11212 1 1516 . 1 1 125 125 SER H H 1 8.372 0.030 . 1 . . . . 125 SER H . 11212 1 1517 . 1 1 125 125 SER HA H 1 4.499 0.030 . 1 . . . . 125 SER HA . 11212 1 1518 . 1 1 125 125 SER HB2 H 1 3.938 0.030 . 1 . . . . 125 SER HB2 . 11212 1 1519 . 1 1 125 125 SER HB3 H 1 3.938 0.030 . 1 . . . . 125 SER HB3 . 11212 1 1520 . 1 1 125 125 SER C C 13 173.957 0.300 . 1 . . . . 125 SER C . 11212 1 1521 . 1 1 125 125 SER CA C 13 58.330 0.300 . 1 . . . . 125 SER CA . 11212 1 1522 . 1 1 125 125 SER CB C 13 64.071 0.300 . 1 . . . . 125 SER CB . 11212 1 1523 . 1 1 125 125 SER N N 15 117.954 0.300 . 1 . . . . 125 SER N . 11212 1 1524 . 1 1 126 126 GLY H H 1 8.078 0.030 . 1 . . . . 126 GLY H . 11212 1 1525 . 1 1 126 126 GLY HA2 H 1 3.796 0.030 . 2 . . . . 126 GLY HA2 . 11212 1 1526 . 1 1 126 126 GLY HA3 H 1 3.753 0.030 . 2 . . . . 126 GLY HA3 . 11212 1 1527 . 1 1 126 126 GLY C C 13 179.025 0.300 . 1 . . . . 126 GLY C . 11212 1 1528 . 1 1 126 126 GLY CA C 13 46.219 0.300 . 1 . . . . 126 GLY CA . 11212 1 1529 . 1 1 126 126 GLY N N 15 116.874 0.300 . 1 . . . . 126 GLY N . 11212 1 stop_ save_