data_18210 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18210 _Entry.Title ; Structure of the Plasmodium 6-cysteine s48/45 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-23 _Entry.Accession_date 2012-01-23 _Entry.Last_release_date 2012-05-08 _Entry.Original_release_date 2012-05-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the Plasmodium 6-cysteine s48/45 Domain' _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 Mengli Cai . . . 18210 2 'Silvia A.' Arredondo . a . 18210 3 Marius Clore . G. . 18210 4 Louis Miller . H. . 18210 5 Yuki Takayama . . . 18210 6 Nicholas Macdonald . J. . 18210 7 Eric Enderson . D. . 18210 8 L. Aravind . . . 18210 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18210 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Malaria . 18210 pf12 . 18210 'p. falciparum' . 18210 s48/14 . 18210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 18210 '15N chemical shifts' 96 18210 '1H chemical shifts' 791 18210 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 . . 2012-05-08 2012-01-23 original author . 18210 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LOE 'BMRB Entry Tracking System' 18210 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18210 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22493233 _Citation.Full_citation . _Citation.Title 'Structure of the Plasmodium 6-cysteine s48/45 domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 17 _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 6692 _Citation.Page_last 6697 _Citation.Year 2012 _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 Silvia Arredondo . A. . 18210 1 2 Mengli Cai . . . 18210 1 3 Yuki Takayama . . . 18210 1 4 Nicholas Macdonald . J. . 18210 1 5 'D. Eric' Anderson . . . 18210 1 6 L. Aravind . . . 18210 1 7 'G. Marius' Clore . . . 18210 1 8 Louis Miller . H. . 18210 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18210 _Assembly.ID 1 _Assembly.Name 'Conotoxin analogue [D-Ala2]BuIIIB' _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 'pf12 C terminal domain' 1 $pf12 A . yes native no no . . . 18210 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'pf12 C terminal domain' 1 CYS 6 6 SG . 1 'pf12 C terminal domain' 1 CYS 38 38 SG . 'pf12 C terminal domain' 6 CYS SG . 'pf12 C terminal domain' 38 CYS SG 18210 1 2 disulfide single . 1 'pf12 C terminal domain' 1 CYS 63 63 SG . 1 'pf12 C terminal domain' 1 CYS 111 111 SG . 'pf12 C terminal domain' 63 CYS SG . 'pf12 C terminal domain' 111 CYS SG 18210 1 3 disulfide single . 1 'pf12 C terminal domain' 1 CYS 52 52 SG . 1 'pf12 C terminal domain' 1 CYS 113 113 SG . 'pf12 C terminal domain' 52 CYS SG . 'pf12 C terminal domain' 113 CYS SG 18210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pf12 _Entity.Sf_category entity _Entity.Sf_framecode pf12 _Entity.Entry_ID 18210 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; EKVKGCDFTTSESTIFSKGY SINEISNKSSNNQQDIVCTV KAHANDLIGFKCPSNYSVEP HDCFVSAFNLSGKNENLENK LKLTNIIMDHYNNTFYSRLP SLISDNWKFFCVCSKDNEKK LVFTVEAX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14553.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LOE . "Structure Of The Plasmodium 6-Cysteine S4845 DOMAIN" . . . . . 99.22 127 100.00 100.00 1.03e-85 . . . . 18210 1 2 no PDB 2YMO . "Crystal Structure Of Pf12 Tandem 6-cys Domains From Plasmodium Falciparum" . . . . . 99.22 289 100.00 100.00 3.06e-84 . . . . 18210 1 3 no EMBL CAG25366 . "6-cysteine protein, putative [Plasmodium falciparum 3D7]" . . . . . 99.22 347 100.00 100.00 2.44e-83 . . . . 18210 1 4 no GB AAA29649 . "membrane protein Pf12 [Plasmodium falciparum]" . . . . . 99.22 347 100.00 100.00 2.08e-83 . . . . 18210 1 5 no GB AAF59950 . "membrane protein Pf12 [Plasmodium falciparum]" . . . . . 98.44 347 98.41 98.41 2.99e-81 . . . . 18210 1 6 no GB ACR09927 . "membrane protein Pf12 precursor, partial [Plasmodium falciparum]" . . . . . 99.22 329 99.21 99.21 1.73e-82 . . . . 18210 1 7 no GB ACR09928 . "membrane protein Pf12 precursor, partial [Plasmodium falciparum]" . . . . . 99.22 331 100.00 100.00 1.39e-83 . . . . 18210 1 8 no GB ACR09929 . "membrane protein Pf12 precursor, partial [Plasmodium falciparum]" . . . . . 99.22 331 100.00 100.00 1.41e-83 . . . . 18210 1 9 no REF XP_966114 . "6-cysteine protein, putative [Plasmodium falciparum 3D7]" . . . . . 99.22 347 100.00 100.00 2.44e-83 . . . . 18210 1 10 no SP C6KSX0 . "RecName: Full=Merozoite surface protein P12; Contains: RecName: Full=Merozoite surface protein P12, processed form; Flags: Prec" . . . . . 99.22 347 100.00 100.00 2.44e-83 . . . . 18210 1 11 no SP P19259 . "RecName: Full=Merozoite surface protein P12; Flags: Precursor" . . . . . 99.22 347 100.00 100.00 2.08e-83 . . . . 18210 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 . GLU . 18210 1 2 . LYS . 18210 1 3 . VAL . 18210 1 4 . LYS . 18210 1 5 . GLY . 18210 1 6 . CYS . 18210 1 7 . ASP . 18210 1 8 . PHE . 18210 1 9 . THR . 18210 1 10 . THR . 18210 1 11 . SER . 18210 1 12 . GLU . 18210 1 13 . SER . 18210 1 14 . THR . 18210 1 15 . ILE . 18210 1 16 . PHE . 18210 1 17 . SER . 18210 1 18 . LYS . 18210 1 19 . GLY . 18210 1 20 . TYR . 18210 1 21 . SER . 18210 1 22 . ILE . 18210 1 23 . ASN . 18210 1 24 . GLU . 18210 1 25 . ILE . 18210 1 26 . SER . 18210 1 27 . ASN . 18210 1 28 . LYS . 18210 1 29 . SER . 18210 1 30 . SER . 18210 1 31 . ASN . 18210 1 32 . ASN . 18210 1 33 . GLN . 18210 1 34 . GLN . 18210 1 35 . ASP . 18210 1 36 . ILE . 18210 1 37 . VAL . 18210 1 38 . CYS . 18210 1 39 . THR . 18210 1 40 . VAL . 18210 1 41 . LYS . 18210 1 42 . ALA . 18210 1 43 . HIS . 18210 1 44 . ALA . 18210 1 45 . ASN . 18210 1 46 . ASP . 18210 1 47 . LEU . 18210 1 48 . ILE . 18210 1 49 . GLY . 18210 1 50 . PHE . 18210 1 51 . LYS . 18210 1 52 . CYS . 18210 1 53 . PRO . 18210 1 54 . SER . 18210 1 55 . ASN . 18210 1 56 . TYR . 18210 1 57 . SER . 18210 1 58 . VAL . 18210 1 59 . GLU . 18210 1 60 . PRO . 18210 1 61 . HIS . 18210 1 62 . ASP . 18210 1 63 . CYS . 18210 1 64 . PHE . 18210 1 65 . VAL . 18210 1 66 . SER . 18210 1 67 . ALA . 18210 1 68 . PHE . 18210 1 69 . ASN . 18210 1 70 . LEU . 18210 1 71 . SER . 18210 1 72 . GLY . 18210 1 73 . LYS . 18210 1 74 . ASN . 18210 1 75 . GLU . 18210 1 76 . ASN . 18210 1 77 . LEU . 18210 1 78 . GLU . 18210 1 79 . ASN . 18210 1 80 . LYS . 18210 1 81 . LEU . 18210 1 82 . LYS . 18210 1 83 . LEU . 18210 1 84 . THR . 18210 1 85 . ASN . 18210 1 86 . ILE . 18210 1 87 . ILE . 18210 1 88 . MET . 18210 1 89 . ASP . 18210 1 90 . HIS . 18210 1 91 . TYR . 18210 1 92 . ASN . 18210 1 93 . ASN . 18210 1 94 . THR . 18210 1 95 . PHE . 18210 1 96 . TYR . 18210 1 97 . SER . 18210 1 98 . ARG . 18210 1 99 . LEU . 18210 1 100 . PRO . 18210 1 101 . SER . 18210 1 102 . LEU . 18210 1 103 . ILE . 18210 1 104 . SER . 18210 1 105 . ASP . 18210 1 106 . ASN . 18210 1 107 . TRP . 18210 1 108 . LYS . 18210 1 109 . PHE . 18210 1 110 . PHE . 18210 1 111 . CYS . 18210 1 112 . VAL . 18210 1 113 . CYS . 18210 1 114 . SER . 18210 1 115 . LYS . 18210 1 116 . ASP . 18210 1 117 . ASN . 18210 1 118 . GLU . 18210 1 119 . LYS . 18210 1 120 . LYS . 18210 1 121 . LEU . 18210 1 122 . VAL . 18210 1 123 . PHE . 18210 1 124 . THR . 18210 1 125 . VAL . 18210 1 126 . GLU . 18210 1 127 . ALA . 18210 1 128 . ANI . 18210 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 . GLU 1 1 18210 1 . LYS 2 2 18210 1 . VAL 3 3 18210 1 . LYS 4 4 18210 1 . GLY 5 5 18210 1 . CYS 6 6 18210 1 . ASP 7 7 18210 1 . PHE 8 8 18210 1 . THR 9 9 18210 1 . THR 10 10 18210 1 . SER 11 11 18210 1 . GLU 12 12 18210 1 . SER 13 13 18210 1 . THR 14 14 18210 1 . ILE 15 15 18210 1 . PHE 16 16 18210 1 . SER 17 17 18210 1 . LYS 18 18 18210 1 . GLY 19 19 18210 1 . TYR 20 20 18210 1 . SER 21 21 18210 1 . ILE 22 22 18210 1 . ASN 23 23 18210 1 . GLU 24 24 18210 1 . ILE 25 25 18210 1 . SER 26 26 18210 1 . ASN 27 27 18210 1 . LYS 28 28 18210 1 . SER 29 29 18210 1 . SER 30 30 18210 1 . ASN 31 31 18210 1 . ASN 32 32 18210 1 . GLN 33 33 18210 1 . GLN 34 34 18210 1 . ASP 35 35 18210 1 . ILE 36 36 18210 1 . VAL 37 37 18210 1 . CYS 38 38 18210 1 . THR 39 39 18210 1 . VAL 40 40 18210 1 . LYS 41 41 18210 1 . ALA 42 42 18210 1 . HIS 43 43 18210 1 . ALA 44 44 18210 1 . ASN 45 45 18210 1 . ASP 46 46 18210 1 . LEU 47 47 18210 1 . ILE 48 48 18210 1 . GLY 49 49 18210 1 . PHE 50 50 18210 1 . LYS 51 51 18210 1 . CYS 52 52 18210 1 . PRO 53 53 18210 1 . SER 54 54 18210 1 . ASN 55 55 18210 1 . TYR 56 56 18210 1 . SER 57 57 18210 1 . VAL 58 58 18210 1 . GLU 59 59 18210 1 . PRO 60 60 18210 1 . HIS 61 61 18210 1 . ASP 62 62 18210 1 . CYS 63 63 18210 1 . PHE 64 64 18210 1 . VAL 65 65 18210 1 . SER 66 66 18210 1 . ALA 67 67 18210 1 . PHE 68 68 18210 1 . ASN 69 69 18210 1 . LEU 70 70 18210 1 . SER 71 71 18210 1 . GLY 72 72 18210 1 . LYS 73 73 18210 1 . ASN 74 74 18210 1 . GLU 75 75 18210 1 . ASN 76 76 18210 1 . LEU 77 77 18210 1 . GLU 78 78 18210 1 . ASN 79 79 18210 1 . LYS 80 80 18210 1 . LEU 81 81 18210 1 . LYS 82 82 18210 1 . LEU 83 83 18210 1 . THR 84 84 18210 1 . ASN 85 85 18210 1 . ILE 86 86 18210 1 . ILE 87 87 18210 1 . MET 88 88 18210 1 . ASP 89 89 18210 1 . HIS 90 90 18210 1 . TYR 91 91 18210 1 . ASN 92 92 18210 1 . ASN 93 93 18210 1 . THR 94 94 18210 1 . PHE 95 95 18210 1 . TYR 96 96 18210 1 . SER 97 97 18210 1 . ARG 98 98 18210 1 . LEU 99 99 18210 1 . PRO 100 100 18210 1 . SER 101 101 18210 1 . LEU 102 102 18210 1 . ILE 103 103 18210 1 . SER 104 104 18210 1 . ASP 105 105 18210 1 . ASN 106 106 18210 1 . TRP 107 107 18210 1 . LYS 108 108 18210 1 . PHE 109 109 18210 1 . PHE 110 110 18210 1 . CYS 111 111 18210 1 . VAL 112 112 18210 1 . CYS 113 113 18210 1 . SER 114 114 18210 1 . LYS 115 115 18210 1 . ASP 116 116 18210 1 . ASN 117 117 18210 1 . GLU 118 118 18210 1 . LYS 119 119 18210 1 . LYS 120 120 18210 1 . LEU 121 121 18210 1 . VAL 122 122 18210 1 . PHE 123 123 18210 1 . THR 124 124 18210 1 . VAL 125 125 18210 1 . GLU 126 126 18210 1 . ALA 127 127 18210 1 . ANI 128 128 18210 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 18210 _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 $pf12 . 5833 organism . 'Plasmodium falciparum' 'Malaria parasite' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 18210 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 18210 _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 $pf12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet28a . . . . . . 18210 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ANI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ANI _Chem_comp.Entry_ID 18210 _Chem_comp.ID ANI _Chem_comp.Provenance PDB _Chem_comp.Name 4-(trifluoromethyl)aniline _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ANI _Chem_comp.PDB_code ANI _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ANI _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C7 H6 F3 N' _Chem_comp.Formula_weight 161.124 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ELE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1C(F)(F)F)N SMILES 'OpenEye OEToolkits' 1.7.0 18210 ANI c1cc(ccc1C(F)(F)F)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 18210 ANI FC(F)(F)c1ccc(N)cc1 SMILES ACDLabs 12.01 18210 ANI InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 InChI InChI 1.03 18210 ANI Nc1ccc(cc1)C(F)(F)F SMILES CACTVS 3.370 18210 ANI Nc1ccc(cc1)C(F)(F)F SMILES_CANONICAL CACTVS 3.370 18210 ANI ODGIMMLDVSWADK-UHFFFAOYSA-N InChIKey InChI 1.03 18210 ANI stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-(trifluoromethyl)aniline 'SYSTEMATIC NAME' ACDLabs 12.01 18210 ANI 4-(trifluoromethyl)aniline 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 18210 ANI stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 36.339 . 19.208 . 37.808 . 3.902 0.000 0.001 1 . 18210 ANI C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . 36.000 . 18.237 . 38.690 . 2.505 -0.000 0.001 2 . 18210 ANI C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 35.385 . 18.637 . 39.861 . 1.809 1.202 -0.001 3 . 18210 ANI C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . 35.057 . 17.724 . 40.823 . 0.428 1.199 -0.001 4 . 18210 ANI C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 35.342 . 16.372 . 40.636 . -0.262 0.000 0.000 5 . 18210 ANI C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 35.950 . 15.968 . 39.450 . 0.428 -1.199 0.002 6 . 18210 ANI C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 36.275 . 16.888 . 38.489 . 1.809 -1.202 -0.003 7 . 18210 ANI C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 35.037 . 15.326 . 41.780 . -1.769 -0.000 0.000 8 . 18210 ANI F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 35.418 . 14.014 . 41.614 . -2.235 -0.001 -1.319 9 . 18210 ANI F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 35.650 . 15.727 . 42.894 . -2.235 -1.142 0.661 10 . 18210 ANI F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 33.733 . 15.316 . 42.082 . -2.235 1.143 0.659 11 . 18210 ANI HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 36.773 . 18.795 . 37.007 . 4.387 0.840 -0.000 12 . 18210 ANI HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no yes . . . . 35.517 . 19.702 . 37.524 . 4.387 -0.840 0.006 13 . 18210 ANI H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 35.161 . 19.682 . 40.017 . 2.347 2.138 -0.001 14 . 18210 ANI H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 34.575 . 18.051 . 41.732 . -0.114 2.133 -0.002 15 . 18210 ANI H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 36.167 . 14.923 . 39.287 . -0.114 -2.133 0.002 16 . 18210 ANI H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 36.746 . 16.565 . 37.572 . 2.347 -2.138 -0.007 17 . 18210 ANI stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N C1 no N 1 . 18210 ANI 2 . SING N HN1 no N 2 . 18210 ANI 3 . SING N HN2 no N 3 . 18210 ANI 4 . DOUB C1 C2 yes N 4 . 18210 ANI 5 . SING C1 C6 yes N 5 . 18210 ANI 6 . SING C2 C3 yes N 6 . 18210 ANI 7 . SING C2 H2 no N 7 . 18210 ANI 8 . DOUB C3 C4 yes N 8 . 18210 ANI 9 . SING C3 H3 no N 9 . 18210 ANI 10 . SING C4 C5 yes N 10 . 18210 ANI 11 . SING C4 C7 no N 11 . 18210 ANI 12 . DOUB C5 C6 yes N 12 . 18210 ANI 13 . SING C5 H5 no N 13 . 18210 ANI 14 . SING C6 H6 no N 14 . 18210 ANI 15 . SING C7 F1 no N 15 . 18210 ANI 16 . SING C7 F2 no N 16 . 18210 ANI 17 . SING C7 F3 no N 17 . 18210 ANI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18210 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pf1 phage' '[U-99% 13C; U-99% 15N]' . . 1 $pf12 . . 0.4 . . mM . . . . 18210 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18210 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18210 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18210 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH5.0, no salt' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18210 1 pH 5.0 . pH 18210 1 pressure 1 . atm 18210 1 temperature 308 . K 18210 1 stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 18210 _Software.ID 1 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 18210 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18210 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18210 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18210 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18210 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18210 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18210 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18210 3 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 18210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18210 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18210 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18210 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18210 1 2 spectrometer_2 Bruker Avance . 800 . . . 18210 1 3 spectrometer_3 Bruker Avance . 900 . . . 18210 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 18210 _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 HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18210 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18210 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18210 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18210 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18210 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18210 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18210 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18210 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18210 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18210 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'ammonium chloride' nitrogen . . . . ppm 0 na indirect 1.0 . . . . . . . . . 18210 1 H 1 TSP protons . . . . ppm 0 external direct 1.0 . . . . . . . . . 18210 1 N 15 acetate 'methyl carbon' . . . . ppm 0 external indirect 1.0 . . . . . . . . . 18210 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 18210 1 3 '3D CBCA(CO)NH' . . . 18210 1 4 '3D HBHA(CO)NH' . . . 18210 1 5 '3D HCCH-TOCSY' . . . 18210 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 1 1 GLU HA H 1 4.318 0.03 . 1 . . . A 1 GLU HA . 18210 1 2 . 1 1 1 1 GLU HB2 H 1 1.900 0.03 . 1 . . . A 1 GLU HB2 . 18210 1 3 . 1 1 1 1 GLU HB3 H 1 2.023 0.03 . 1 . . . A 1 GLU HB3 . 18210 1 4 . 1 1 1 1 GLU HG2 H 1 1.649 0.03 . 1 . . . A 1 GLU HG2 . 18210 1 5 . 1 1 1 1 GLU HG3 H 1 2.286 0.03 . 1 . . . A 1 GLU HG3 . 18210 1 6 . 1 1 1 1 GLU H H 1 8.473 0.03 . 1 . . . A 1 GLU H1 . 18210 1 7 . 1 1 1 1 GLU C C 13 176.164 0.1 . 1 . . . A 1 GLU C . 18210 1 8 . 1 1 1 1 GLU CA C 13 56.364 0.1 . 1 . . . A 1 GLU CA . 18210 1 9 . 1 1 1 1 GLU CB C 13 30.442 0.1 . 1 . . . A 1 GLU CB . 18210 1 10 . 1 1 1 1 GLU CG C 13 35.873 0.1 . 1 . . . A 1 GLU CG . 18210 1 11 . 1 1 1 1 GLU N N 15 123.040 0.1 . 1 . . . A 1 GLU N . 18210 1 12 . 1 1 2 2 LYS HA H 1 4.169 0.03 . 1 . . . A 2 LYS HA . 18210 1 13 . 1 1 2 2 LYS HB2 H 1 1.379 0.03 . 1 . . . A 2 LYS HB2 . 18210 1 14 . 1 1 2 2 LYS HB3 H 1 1.518 0.03 . 1 . . . A 2 LYS HB3 . 18210 1 15 . 1 1 2 2 LYS HG2 H 1 1.440 0.03 . 1 . . . A 2 LYS HG2 . 18210 1 16 . 1 1 2 2 LYS HG3 H 1 1.320 0.03 . 1 . . . A 2 LYS HG3 . 18210 1 17 . 1 1 2 2 LYS HD2 H 1 1.320 0.03 . 1 . . . A 2 LYS HD2 . 18210 1 18 . 1 1 2 2 LYS HD3 H 1 1.140 0.03 . 1 . . . A 2 LYS HD3 . 18210 1 19 . 1 1 2 2 LYS HE3 H 1 2.880 0.03 . 1 . . . A 2 LYS HE3 . 18210 1 20 . 1 1 2 2 LYS C C 13 176.160 0.1 . 1 . . . A 2 LYS C . 18210 1 21 . 1 1 2 2 LYS CA C 13 55.965 0.1 . 1 . . . A 2 LYS CA . 18210 1 22 . 1 1 2 2 LYS CB C 13 33.265 0.1 . 1 . . . A 2 LYS CB . 18210 1 23 . 1 1 2 2 LYS CG C 13 25.318 0.1 . 1 . . . A 2 LYS CG . 18210 1 24 . 1 1 2 2 LYS CD C 13 29.045 0.1 . 1 . . . A 2 LYS CD . 18210 1 25 . 1 1 2 2 LYS CE C 13 42.447 0.1 . 1 . . . A 2 LYS CE . 18210 1 26 . 1 1 3 3 VAL HA H 1 3.913 0.03 . 1 . . . A 3 VAL HA . 18210 1 27 . 1 1 3 3 VAL HB H 1 1.785 0.03 . 1 . . . A 3 VAL HB . 18210 1 28 . 1 1 3 3 VAL HG11 H 1 1.037 0.03 . 1 . . . A 3 VAL HG11 . 18210 1 29 . 1 1 3 3 VAL HG12 H 1 1.037 0.03 . 1 . . . A 3 VAL HG12 . 18210 1 30 . 1 1 3 3 VAL HG13 H 1 1.037 0.03 . 1 . . . A 3 VAL HG13 . 18210 1 31 . 1 1 3 3 VAL HG21 H 1 0.840 0.03 . 1 . . . A 3 VAL HG21 . 18210 1 32 . 1 1 3 3 VAL HG22 H 1 0.840 0.03 . 1 . . . A 3 VAL HG22 . 18210 1 33 . 1 1 3 3 VAL HG23 H 1 0.840 0.03 . 1 . . . A 3 VAL HG23 . 18210 1 34 . 1 1 3 3 VAL C C 13 175.820 0.1 . 1 . . . A 3 VAL C . 18210 1 35 . 1 1 3 3 VAL CA C 13 62.488 0.1 . 1 . . . A 3 VAL CA . 18210 1 36 . 1 1 3 3 VAL CB C 13 32.780 0.1 . 1 . . . A 3 VAL CB . 18210 1 37 . 1 1 3 3 VAL CG1 C 13 22.078 0.1 . 1 . . . A 3 VAL CG1 . 18210 1 38 . 1 1 3 3 VAL CG2 C 13 22.440 0.1 . 1 . . . A 3 VAL CG2 . 18210 1 39 . 1 1 4 4 LYS H H 1 8.507 0.03 . 1 . . . A 4 LYS H . 18210 1 40 . 1 1 4 4 LYS HA H 1 4.507 0.03 . 1 . . . A 4 LYS HA . 18210 1 41 . 1 1 4 4 LYS HB2 H 1 2.026 0.03 . 1 . . . A 4 LYS HB2 . 18210 1 42 . 1 1 4 4 LYS HB3 H 1 2.163 0.03 . 1 . . . A 4 LYS HB3 . 18210 1 43 . 1 1 4 4 LYS HG2 H 1 1.675 0.03 . 1 . . . A 4 LYS HG2 . 18210 1 44 . 1 1 4 4 LYS HG3 H 1 1.763 0.03 . 1 . . . A 4 LYS HG3 . 18210 1 45 . 1 1 4 4 LYS HD2 H 1 1.727 0.03 . 1 . . . A 4 LYS HD2 . 18210 1 46 . 1 1 4 4 LYS HD3 H 1 1.576 0.03 . 1 . . . A 4 LYS HD3 . 18210 1 47 . 1 1 4 4 LYS HE3 H 1 3.088 0.03 . 1 . . . A 4 LYS HE3 . 18210 1 48 . 1 1 4 4 LYS C C 13 174.923 0.1 . 1 . . . A 4 LYS C . 18210 1 49 . 1 1 4 4 LYS CA C 13 57.303 0.1 . 1 . . . A 4 LYS CA . 18210 1 50 . 1 1 4 4 LYS CB C 13 32.251 0.1 . 1 . . . A 4 LYS CB . 18210 1 51 . 1 1 4 4 LYS CG C 13 25.324 0.1 . 1 . . . A 4 LYS CG . 18210 1 52 . 1 1 4 4 LYS CD C 13 29.405 0.1 . 1 . . . A 4 LYS CD . 18210 1 53 . 1 1 4 4 LYS CE C 13 42.262 0.1 . 1 . . . A 4 LYS CE . 18210 1 54 . 1 1 4 4 LYS N N 15 129.029 0.1 . 1 . . . A 4 LYS N . 18210 1 55 . 1 1 5 5 GLY H H 1 8.138 0.03 . 1 . . . A 5 GLY H . 18210 1 56 . 1 1 5 5 GLY HA2 H 1 4.033 0.03 . 1 . . . A 5 GLY HA2 . 18210 1 57 . 1 1 5 5 GLY HA3 H 1 5.626 0.03 . 1 . . . A 5 GLY HA3 . 18210 1 58 . 1 1 5 5 GLY C C 13 173.333 0.1 . 1 . . . A 5 GLY C . 18210 1 59 . 1 1 5 5 GLY CA C 13 46.264 0.1 . 1 . . . A 5 GLY CA . 18210 1 60 . 1 1 5 5 GLY N N 15 110.242 0.1 . 1 . . . A 5 GLY N . 18210 1 61 . 1 1 6 6 CYS H H 1 6.750 0.03 . 1 . . . A 6 CYS H . 18210 1 62 . 1 1 6 6 CYS HA H 1 5.251 0.03 . 1 . . . A 6 CYS HA . 18210 1 63 . 1 1 6 6 CYS HB2 H 1 2.030 0.03 . 1 . . . A 6 CYS HB2 . 18210 1 64 . 1 1 6 6 CYS HB3 H 1 2.750 0.03 . 1 . . . A 6 CYS HB3 . 18210 1 65 . 1 1 6 6 CYS C C 13 170.891 0.1 . 1 . . . A 6 CYS C . 18210 1 66 . 1 1 6 6 CYS CA C 13 54.850 0.1 . 1 . . . A 6 CYS CA . 18210 1 67 . 1 1 6 6 CYS CB C 13 51.150 0.1 . 1 . . . A 6 CYS CB . 18210 1 68 . 1 1 6 6 CYS N N 15 114.306 0.1 . 1 . . . A 6 CYS N . 18210 1 69 . 1 1 7 7 ASP HA H 1 4.748 0.03 . 1 . . . A 7 ASP HA . 18210 1 70 . 1 1 7 7 ASP HB2 H 1 2.695 0.03 . 1 . . . A 7 ASP HB2 . 18210 1 71 . 1 1 7 7 ASP HB3 H 1 3.731 0.03 . 1 . . . A 7 ASP HB3 . 18210 1 72 . 1 1 7 7 ASP C C 13 175.607 0.1 . 1 . . . A 7 ASP C . 18210 1 73 . 1 1 7 7 ASP CA C 13 52.238 0.1 . 1 . . . A 7 ASP CA . 18210 1 74 . 1 1 7 7 ASP CB C 13 41.617 0.1 . 1 . . . A 7 ASP CB . 18210 1 75 . 1 1 8 8 PHE HA H 1 4.877 0.03 . 1 . . . A 8 PHE HA . 18210 1 76 . 1 1 8 8 PHE HB2 H 1 2.947 0.03 . 1 . . . A 8 PHE HB2 . 18210 1 77 . 1 1 8 8 PHE HB3 H 1 3.549 0.03 . 1 . . . A 8 PHE HB3 . 18210 1 78 . 1 1 8 8 PHE HD1 H 1 7.072 0.03 . 3 . . . A 8 PHE HD1 . 18210 1 79 . 1 1 8 8 PHE HD2 H 1 7.072 0.03 . 3 . . . A 8 PHE HD2 . 18210 1 80 . 1 1 8 8 PHE HE1 H 1 7.040 0.03 . 3 . . . A 8 PHE HE1 . 18210 1 81 . 1 1 8 8 PHE HE2 H 1 7.040 0.03 . 3 . . . A 8 PHE HE2 . 18210 1 82 . 1 1 8 8 PHE HZ H 1 6.086 0.03 . 1 . . . A 8 PHE HZ . 18210 1 83 . 1 1 8 8 PHE C C 13 173.972 0.1 . 1 . . . A 8 PHE C . 18210 1 84 . 1 1 8 8 PHE CA C 13 59.455 0.1 . 1 . . . A 8 PHE CA . 18210 1 85 . 1 1 8 8 PHE CB C 13 39.219 0.1 . 1 . . . A 8 PHE CB . 18210 1 86 . 1 1 8 8 PHE CD1 C 13 132.950 0.1 . 3 . . . A 8 PHE CD1 . 18210 1 87 . 1 1 8 8 PHE CD2 C 13 132.950 0.1 . 3 . . . A 8 PHE CD2 . 18210 1 88 . 1 1 8 8 PHE CE1 C 13 130.464 0.1 . 3 . . . A 8 PHE CE1 . 18210 1 89 . 1 1 8 8 PHE CE2 C 13 130.464 0.1 . 3 . . . A 8 PHE CE2 . 18210 1 90 . 1 1 8 8 PHE CZ C 13 128.856 0.1 . 1 . . . A 8 PHE CZ . 18210 1 91 . 1 1 9 9 THR H H 1 8.996 0.03 . 1 . . . A 9 THR H . 18210 1 92 . 1 1 9 9 THR HA H 1 4.611 0.03 . 1 . . . A 9 THR HA . 18210 1 93 . 1 1 9 9 THR HB H 1 4.378 0.03 . 1 . . . A 9 THR HB . 18210 1 94 . 1 1 9 9 THR HG21 H 1 0.846 0.03 . 1 . . . A 9 THR HG21 . 18210 1 95 . 1 1 9 9 THR HG22 H 1 0.846 0.03 . 1 . . . A 9 THR HG22 . 18210 1 96 . 1 1 9 9 THR HG23 H 1 0.846 0.03 . 1 . . . A 9 THR HG23 . 18210 1 97 . 1 1 9 9 THR C C 13 174.505 0.1 . 1 . . . A 9 THR C . 18210 1 98 . 1 1 9 9 THR CA C 13 61.988 0.1 . 1 . . . A 9 THR CA . 18210 1 99 . 1 1 9 9 THR CB C 13 70.385 0.1 . 1 . . . A 9 THR CB . 18210 1 100 . 1 1 9 9 THR CG2 C 13 22.574 0.1 . 1 . . . A 9 THR CG2 . 18210 1 101 . 1 1 9 9 THR N N 15 105.421 0.1 . 1 . . . A 9 THR N . 18210 1 102 . 1 1 10 10 THR H H 1 7.199 0.03 . 1 . . . A 10 THR H . 18210 1 103 . 1 1 10 10 THR HA H 1 4.526 0.03 . 1 . . . A 10 THR HA . 18210 1 104 . 1 1 10 10 THR HB H 1 4.471 0.03 . 1 . . . A 10 THR HB . 18210 1 105 . 1 1 10 10 THR HG21 H 1 0.997 0.03 . 1 . . . A 10 THR HG21 . 18210 1 106 . 1 1 10 10 THR HG22 H 1 0.997 0.03 . 1 . . . A 10 THR HG22 . 18210 1 107 . 1 1 10 10 THR HG23 H 1 0.997 0.03 . 1 . . . A 10 THR HG23 . 18210 1 108 . 1 1 10 10 THR C C 13 171.202 0.1 . 1 . . . A 10 THR C . 18210 1 109 . 1 1 10 10 THR CA C 13 60.774 0.1 . 1 . . . A 10 THR CA . 18210 1 110 . 1 1 10 10 THR CB C 13 68.040 0.1 . 1 . . . A 10 THR CB . 18210 1 111 . 1 1 10 10 THR CG2 C 13 18.790 0.1 . 1 . . . A 10 THR CG2 . 18210 1 112 . 1 1 10 10 THR N N 15 118.757 0.1 . 1 . . . A 10 THR N . 18210 1 113 . 1 1 11 11 SER H H 1 7.997 0.03 . 1 . . . A 11 SER H . 18210 1 114 . 1 1 11 11 SER HA H 1 3.907 0.03 . 1 . . . A 11 SER HA . 18210 1 115 . 1 1 11 11 SER HB2 H 1 3.985 0.03 . 1 . . . A 11 SER HB2 . 18210 1 116 . 1 1 11 11 SER HB3 H 1 3.644 0.03 . 1 . . . A 11 SER HB3 . 18210 1 117 . 1 1 11 11 SER C C 13 174.988 0.1 . 1 . . . A 11 SER C . 18210 1 118 . 1 1 11 11 SER CA C 13 59.563 0.1 . 1 . . . A 11 SER CA . 18210 1 119 . 1 1 11 11 SER CB C 13 63.599 0.1 . 1 . . . A 11 SER CB . 18210 1 120 . 1 1 11 11 SER N N 15 117.117 0.1 . 1 . . . A 11 SER N . 18210 1 121 . 1 1 12 12 GLU H H 1 8.375 0.03 . 1 . . . A 12 GLU H . 18210 1 122 . 1 1 12 12 GLU HA H 1 4.565 0.03 . 1 . . . A 12 GLU HA . 18210 1 123 . 1 1 12 12 GLU HB2 H 1 1.755 0.03 . 1 . . . A 12 GLU HB2 . 18210 1 124 . 1 1 12 12 GLU HB3 H 1 2.000 0.03 . 1 . . . A 12 GLU HB3 . 18210 1 125 . 1 1 12 12 GLU HG3 H 1 2.153 0.03 . 1 . . . A 12 GLU HG3 . 18210 1 126 . 1 1 12 12 GLU C C 13 175.108 0.1 . 1 . . . A 12 GLU C . 18210 1 127 . 1 1 12 12 GLU CA C 13 54.259 0.1 . 1 . . . A 12 GLU CA . 18210 1 128 . 1 1 12 12 GLU CB C 13 28.928 0.1 . 1 . . . A 12 GLU CB . 18210 1 129 . 1 1 12 12 GLU CG C 13 35.529 0.1 . 1 . . . A 12 GLU CG . 18210 1 130 . 1 1 12 12 GLU N N 15 125.013 0.1 . 1 . . . A 12 GLU N . 18210 1 131 . 1 1 13 13 SER H H 1 7.879 0.03 . 1 . . . A 13 SER H . 18210 1 132 . 1 1 13 13 SER HA H 1 4.130 0.03 . 1 . . . A 13 SER HA . 18210 1 133 . 1 1 13 13 SER HB3 H 1 3.845 0.03 . 1 . . . A 13 SER HB3 . 18210 1 134 . 1 1 13 13 SER C C 13 176.833 0.1 . 1 . . . A 13 SER C . 18210 1 135 . 1 1 13 13 SER CA C 13 58.707 0.1 . 1 . . . A 13 SER CA . 18210 1 136 . 1 1 13 13 SER CB C 13 63.598 0.1 . 1 . . . A 13 SER CB . 18210 1 137 . 1 1 13 13 SER N N 15 114.959 0.1 . 1 . . . A 13 SER N . 18210 1 138 . 1 1 14 14 THR H H 1 8.978 0.03 . 1 . . . A 14 THR H . 18210 1 139 . 1 1 14 14 THR HA H 1 4.348 0.03 . 1 . . . A 14 THR HA . 18210 1 140 . 1 1 14 14 THR HB H 1 4.332 0.03 . 1 . . . A 14 THR HB . 18210 1 141 . 1 1 14 14 THR HG21 H 1 1.257 0.03 . 1 . . . A 14 THR HG21 . 18210 1 142 . 1 1 14 14 THR HG22 H 1 1.257 0.03 . 1 . . . A 14 THR HG22 . 18210 1 143 . 1 1 14 14 THR HG23 H 1 1.257 0.03 . 1 . . . A 14 THR HG23 . 18210 1 144 . 1 1 14 14 THR C C 13 174.550 0.1 . 1 . . . A 14 THR C . 18210 1 145 . 1 1 14 14 THR CA C 13 62.435 0.1 . 1 . . . A 14 THR CA . 18210 1 146 . 1 1 14 14 THR CB C 13 69.114 0.1 . 1 . . . A 14 THR CB . 18210 1 147 . 1 1 14 14 THR CG2 C 13 21.949 0.1 . 1 . . . A 14 THR CG2 . 18210 1 148 . 1 1 14 14 THR N N 15 117.688 0.1 . 1 . . . A 14 THR N . 18210 1 149 . 1 1 15 15 ILE H H 1 7.947 0.03 . 1 . . . A 15 ILE H . 18210 1 150 . 1 1 15 15 ILE HA H 1 4.038 0.03 . 1 . . . A 15 ILE HA . 18210 1 151 . 1 1 15 15 ILE HB H 1 1.144 0.03 . 1 . . . A 15 ILE HB . 18210 1 152 . 1 1 15 15 ILE HG12 H 1 1.311 0.03 . 1 . . . A 15 ILE HG12 . 18210 1 153 . 1 1 15 15 ILE HG13 H 1 0.778 0.03 . 1 . . . A 15 ILE HG13 . 18210 1 154 . 1 1 15 15 ILE HG21 H 1 0.098 0.03 . 1 . . . A 15 ILE HG21 . 18210 1 155 . 1 1 15 15 ILE HG22 H 1 0.098 0.03 . 1 . . . A 15 ILE HG22 . 18210 1 156 . 1 1 15 15 ILE HG23 H 1 0.098 0.03 . 1 . . . A 15 ILE HG23 . 18210 1 157 . 1 1 15 15 ILE HD11 H 1 0.693 0.03 . 1 . . . A 15 ILE HD11 . 18210 1 158 . 1 1 15 15 ILE HD12 H 1 0.693 0.03 . 1 . . . A 15 ILE HD12 . 18210 1 159 . 1 1 15 15 ILE HD13 H 1 0.693 0.03 . 1 . . . A 15 ILE HD13 . 18210 1 160 . 1 1 15 15 ILE C C 13 175.389 0.1 . 1 . . . A 15 ILE C . 18210 1 161 . 1 1 15 15 ILE CA C 13 62.700 0.1 . 1 . . . A 15 ILE CA . 18210 1 162 . 1 1 15 15 ILE CB C 13 41.447 0.1 . 1 . . . A 15 ILE CB . 18210 1 163 . 1 1 15 15 ILE CG1 C 13 26.890 0.1 . 1 . . . A 15 ILE CG1 . 18210 1 164 . 1 1 15 15 ILE CG2 C 13 17.290 0.1 . 1 . . . A 15 ILE CG2 . 18210 1 165 . 1 1 15 15 ILE CD1 C 13 13.810 0.1 . 1 . . . A 15 ILE CD1 . 18210 1 166 . 1 1 15 15 ILE N N 15 118.851 0.1 . 1 . . . A 15 ILE N . 18210 1 167 . 1 1 16 16 PHE H H 1 7.792 0.03 . 1 . . . A 16 PHE H . 18210 1 168 . 1 1 16 16 PHE HA H 1 5.518 0.03 . 1 . . . A 16 PHE HA . 18210 1 169 . 1 1 16 16 PHE HB2 H 1 2.623 0.03 . 1 . . . A 16 PHE HB2 . 18210 1 170 . 1 1 16 16 PHE HB3 H 1 3.089 0.03 . 1 . . . A 16 PHE HB3 . 18210 1 171 . 1 1 16 16 PHE HD1 H 1 6.959 0.03 . 3 . . . A 16 PHE HD1 . 18210 1 172 . 1 1 16 16 PHE HD2 H 1 6.959 0.03 . 3 . . . A 16 PHE HD2 . 18210 1 173 . 1 1 16 16 PHE HE1 H 1 6.805 0.03 . 3 . . . A 16 PHE HE1 . 18210 1 174 . 1 1 16 16 PHE HE2 H 1 6.805 0.03 . 3 . . . A 16 PHE HE2 . 18210 1 175 . 1 1 16 16 PHE HZ H 1 6.444 0.03 . 1 . . . A 16 PHE HZ . 18210 1 176 . 1 1 16 16 PHE C C 13 176.700 0.1 . 1 . . . A 16 PHE C . 18210 1 177 . 1 1 16 16 PHE CA C 13 57.462 0.1 . 1 . . . A 16 PHE CA . 18210 1 178 . 1 1 16 16 PHE CB C 13 42.712 0.1 . 1 . . . A 16 PHE CB . 18210 1 179 . 1 1 16 16 PHE CD1 C 13 131.180 0.1 . 3 . . . A 16 PHE CD1 . 18210 1 180 . 1 1 16 16 PHE CD2 C 13 131.180 0.1 . 3 . . . A 16 PHE CD2 . 18210 1 181 . 1 1 16 16 PHE CE1 C 13 131.100 0.1 . 3 . . . A 16 PHE CE1 . 18210 1 182 . 1 1 16 16 PHE CE2 C 13 131.100 0.1 . 3 . . . A 16 PHE CE2 . 18210 1 183 . 1 1 16 16 PHE CZ C 13 130.250 0.1 . 1 . . . A 16 PHE CZ . 18210 1 184 . 1 1 16 16 PHE N N 15 116.409 0.1 . 1 . . . A 16 PHE N . 18210 1 185 . 1 1 17 17 SER H H 1 8.666 0.03 . 1 . . . A 17 SER H . 18210 1 186 . 1 1 17 17 SER HA H 1 3.984 0.03 . 1 . . . A 17 SER HA . 18210 1 187 . 1 1 17 17 SER HB2 H 1 3.864 0.03 . 1 . . . A 17 SER HB2 . 18210 1 188 . 1 1 17 17 SER HB3 H 1 4.176 0.03 . 1 . . . A 17 SER HB3 . 18210 1 189 . 1 1 17 17 SER C C 13 174.203 0.1 . 1 . . . A 17 SER C . 18210 1 190 . 1 1 17 17 SER CA C 13 61.176 0.1 . 1 . . . A 17 SER CA . 18210 1 191 . 1 1 17 17 SER CB C 13 63.438 0.1 . 1 . . . A 17 SER CB . 18210 1 192 . 1 1 17 17 SER N N 15 114.126 0.1 . 1 . . . A 17 SER N . 18210 1 193 . 1 1 18 18 LYS H H 1 8.031 0.03 . 1 . . . A 18 LYS H . 18210 1 194 . 1 1 18 18 LYS HA H 1 4.758 0.03 . 1 . . . A 18 LYS HA . 18210 1 195 . 1 1 18 18 LYS HB2 H 1 1.953 0.03 . 1 . . . A 18 LYS HB2 . 18210 1 196 . 1 1 18 18 LYS HB3 H 1 1.882 0.03 . 1 . . . A 18 LYS HB3 . 18210 1 197 . 1 1 18 18 LYS HG3 H 1 1.717 0.03 . 1 . . . A 18 LYS HG3 . 18210 1 198 . 1 1 18 18 LYS HD2 H 1 1.287 0.03 . 1 . . . A 18 LYS HD2 . 18210 1 199 . 1 1 18 18 LYS HD3 H 1 1.425 0.03 . 1 . . . A 18 LYS HD3 . 18210 1 200 . 1 1 18 18 LYS HE2 H 1 2.786 0.03 . 1 . . . A 18 LYS HE2 . 18210 1 201 . 1 1 18 18 LYS HE3 H 1 2.935 0.03 . 1 . . . A 18 LYS HE3 . 18210 1 202 . 1 1 18 18 LYS C C 13 174.029 0.1 . 1 . . . A 18 LYS C . 18210 1 203 . 1 1 18 18 LYS CA C 13 55.661 0.1 . 1 . . . A 18 LYS CA . 18210 1 204 . 1 1 18 18 LYS CB C 13 35.049 0.1 . 1 . . . A 18 LYS CB . 18210 1 205 . 1 1 18 18 LYS CG C 13 25.240 0.1 . 1 . . . A 18 LYS CG . 18210 1 206 . 1 1 18 18 LYS CD C 13 29.170 0.1 . 1 . . . A 18 LYS CD . 18210 1 207 . 1 1 18 18 LYS CE C 13 42.389 0.1 . 1 . . . A 18 LYS CE . 18210 1 208 . 1 1 18 18 LYS N N 15 122.828 0.1 . 1 . . . A 18 LYS N . 18210 1 209 . 1 1 19 19 GLY H H 1 8.092 0.03 . 1 . . . A 19 GLY H . 18210 1 210 . 1 1 19 19 GLY HA2 H 1 4.165 0.03 . 1 . . . A 19 GLY HA2 . 18210 1 211 . 1 1 19 19 GLY HA3 H 1 5.281 0.03 . 1 . . . A 19 GLY HA3 . 18210 1 212 . 1 1 19 19 GLY C C 13 172.307 0.1 . 1 . . . A 19 GLY C . 18210 1 213 . 1 1 19 19 GLY CA C 13 44.946 0.1 . 1 . . . A 19 GLY CA . 18210 1 214 . 1 1 19 19 GLY N N 15 112.051 0.1 . 1 . . . A 19 GLY N . 18210 1 215 . 1 1 20 20 TYR H H 1 7.968 0.03 . 1 . . . A 20 TYR H . 18210 1 216 . 1 1 20 20 TYR HA H 1 4.570 0.03 . 1 . . . A 20 TYR HA . 18210 1 217 . 1 1 20 20 TYR HB2 H 1 2.615 0.03 . 1 . . . A 20 TYR HB2 . 18210 1 218 . 1 1 20 20 TYR HB3 H 1 2.862 0.03 . 1 . . . A 20 TYR HB3 . 18210 1 219 . 1 1 20 20 TYR HD1 H 1 6.838 0.03 . 3 . . . A 20 TYR HD1 . 18210 1 220 . 1 1 20 20 TYR HD2 H 1 6.838 0.03 . 3 . . . A 20 TYR HD2 . 18210 1 221 . 1 1 20 20 TYR HE1 H 1 6.714 0.03 . 3 . . . A 20 TYR HE1 . 18210 1 222 . 1 1 20 20 TYR HE2 H 1 6.714 0.03 . 3 . . . A 20 TYR HE2 . 18210 1 223 . 1 1 20 20 TYR C C 13 173.557 0.1 . 1 . . . A 20 TYR C . 18210 1 224 . 1 1 20 20 TYR CA C 13 57.512 0.1 . 1 . . . A 20 TYR CA . 18210 1 225 . 1 1 20 20 TYR CB C 13 43.091 0.1 . 1 . . . A 20 TYR CB . 18210 1 226 . 1 1 20 20 TYR CD1 C 13 133.050 0.1 . 3 . . . A 20 TYR CD1 . 18210 1 227 . 1 1 20 20 TYR CD2 C 13 133.050 0.1 . 3 . . . A 20 TYR CD2 . 18210 1 228 . 1 1 20 20 TYR CE1 C 13 118.160 0.1 . 3 . . . A 20 TYR CE1 . 18210 1 229 . 1 1 20 20 TYR CE2 C 13 118.160 0.1 . 3 . . . A 20 TYR CE2 . 18210 1 230 . 1 1 20 20 TYR N N 15 120.060 0.1 . 1 . . . A 20 TYR N . 18210 1 231 . 1 1 21 21 SER H H 1 8.761 0.03 . 1 . . . A 21 SER H . 18210 1 232 . 1 1 21 21 SER HA H 1 4.562 0.03 . 1 . . . A 21 SER HA . 18210 1 233 . 1 1 21 21 SER HB2 H 1 4.011 0.03 . 1 . . . A 21 SER HB2 . 18210 1 234 . 1 1 21 21 SER HB3 H 1 4.188 0.03 . 1 . . . A 21 SER HB3 . 18210 1 235 . 1 1 21 21 SER C C 13 176.172 0.1 . 1 . . . A 21 SER C . 18210 1 236 . 1 1 21 21 SER CA C 13 56.537 0.1 . 1 . . . A 21 SER CA . 18210 1 237 . 1 1 21 21 SER CB C 13 65.257 0.1 . 1 . . . A 21 SER CB . 18210 1 238 . 1 1 21 21 SER N N 15 115.201 0.1 . 1 . . . A 21 SER N . 18210 1 239 . 1 1 22 22 ILE H H 1 8.646 0.03 . 1 . . . A 22 ILE H . 18210 1 240 . 1 1 22 22 ILE HA H 1 4.159 0.03 . 1 . . . A 22 ILE HA . 18210 1 241 . 1 1 22 22 ILE HB H 1 2.013 0.03 . 1 . . . A 22 ILE HB . 18210 1 242 . 1 1 22 22 ILE HG12 H 1 1.505 0.03 . 1 . . . A 22 ILE HG12 . 18210 1 243 . 1 1 22 22 ILE HG13 H 1 1.428 0.03 . 1 . . . A 22 ILE HG13 . 18210 1 244 . 1 1 22 22 ILE HG21 H 1 1.012 0.03 . 1 . . . A 22 ILE HG21 . 18210 1 245 . 1 1 22 22 ILE HG22 H 1 1.012 0.03 . 1 . . . A 22 ILE HG22 . 18210 1 246 . 1 1 22 22 ILE HG23 H 1 1.012 0.03 . 1 . . . A 22 ILE HG23 . 18210 1 247 . 1 1 22 22 ILE HD11 H 1 0.974 0.03 . 1 . . . A 22 ILE HD11 . 18210 1 248 . 1 1 22 22 ILE HD12 H 1 0.974 0.03 . 1 . . . A 22 ILE HD12 . 18210 1 249 . 1 1 22 22 ILE HD13 H 1 0.974 0.03 . 1 . . . A 22 ILE HD13 . 18210 1 250 . 1 1 22 22 ILE C C 13 177.561 0.1 . 1 . . . A 22 ILE C . 18210 1 251 . 1 1 22 22 ILE CA C 13 62.713 0.1 . 1 . . . A 22 ILE CA . 18210 1 252 . 1 1 22 22 ILE CB C 13 37.855 0.1 . 1 . . . A 22 ILE CB . 18210 1 253 . 1 1 22 22 ILE CG1 C 13 28.297 0.1 . 1 . . . A 22 ILE CG1 . 18210 1 254 . 1 1 22 22 ILE CG2 C 13 17.742 0.1 . 1 . . . A 22 ILE CG2 . 18210 1 255 . 1 1 22 22 ILE CD1 C 13 13.389 0.1 . 1 . . . A 22 ILE CD1 . 18210 1 256 . 1 1 22 22 ILE N N 15 122.867 0.1 . 1 . . . A 22 ILE N . 18210 1 257 . 1 1 23 23 ASN HA H 1 4.545 0.03 . 1 . . . A 23 ASN HA . 18210 1 258 . 1 1 23 23 ASN HB2 H 1 2.752 0.03 . 1 . . . A 23 ASN HB2 . 18210 1 259 . 1 1 23 23 ASN HB3 H 1 2.816 0.03 . 1 . . . A 23 ASN HB3 . 18210 1 260 . 1 1 23 23 ASN HD21 H 1 7.634 0.03 . 1 . . . A 23 ASN HD21 . 18210 1 261 . 1 1 23 23 ASN HD22 H 1 6.991 0.03 . 1 . . . A 23 ASN HD22 . 18210 1 262 . 1 1 23 23 ASN C C 13 176.647 0.1 . 1 . . . A 23 ASN C . 18210 1 263 . 1 1 23 23 ASN CA C 13 55.506 0.1 . 1 . . . A 23 ASN CA . 18210 1 264 . 1 1 23 23 ASN CB C 13 38.453 0.1 . 1 . . . A 23 ASN CB . 18210 1 265 . 1 1 23 23 ASN ND2 N 15 113.041 0.1 . 1 . . . A 23 ASN ND2 . 18210 1 266 . 1 1 24 24 GLU H H 1 7.837 0.03 . 1 . . . A 24 GLU H . 18210 1 267 . 1 1 24 24 GLU HA H 1 4.286 0.03 . 1 . . . A 24 GLU HA . 18210 1 268 . 1 1 24 24 GLU HB2 H 1 2.232 0.03 . 1 . . . A 24 GLU HB2 . 18210 1 269 . 1 1 24 24 GLU HB3 H 1 2.402 0.03 . 1 . . . A 24 GLU HB3 . 18210 1 270 . 1 1 24 24 GLU HG3 H 1 2.400 0.03 . 1 . . . A 24 GLU HG3 . 18210 1 271 . 1 1 24 24 GLU C C 13 177.998 0.1 . 1 . . . A 24 GLU C . 18210 1 272 . 1 1 24 24 GLU CA C 13 58.306 0.1 . 1 . . . A 24 GLU CA . 18210 1 273 . 1 1 24 24 GLU CB C 13 30.658 0.1 . 1 . . . A 24 GLU CB . 18210 1 274 . 1 1 24 24 GLU CG C 13 37.119 0.1 . 1 . . . A 24 GLU CG . 18210 1 275 . 1 1 24 24 GLU N N 15 118.601 0.1 . 1 . . . A 24 GLU N . 18210 1 276 . 1 1 25 25 ILE HA H 1 4.173 0.03 . 1 . . . A 25 ILE HA . 18210 1 277 . 1 1 25 25 ILE HB H 1 2.114 0.03 . 1 . . . A 25 ILE HB . 18210 1 278 . 1 1 25 25 ILE HG13 H 1 1.493 0.03 . 1 . . . A 25 ILE HG13 . 18210 1 279 . 1 1 25 25 ILE HG21 H 1 0.959 0.03 . 1 . . . A 25 ILE HG21 . 18210 1 280 . 1 1 25 25 ILE HG22 H 1 0.959 0.03 . 1 . . . A 25 ILE HG22 . 18210 1 281 . 1 1 25 25 ILE HG23 H 1 0.959 0.03 . 1 . . . A 25 ILE HG23 . 18210 1 282 . 1 1 25 25 ILE HD11 H 1 0.895 0.03 . 1 . . . A 25 ILE HD11 . 18210 1 283 . 1 1 25 25 ILE HD12 H 1 0.895 0.03 . 1 . . . A 25 ILE HD12 . 18210 1 284 . 1 1 25 25 ILE HD13 H 1 0.895 0.03 . 1 . . . A 25 ILE HD13 . 18210 1 285 . 1 1 25 25 ILE C C 13 176.641 0.1 . 1 . . . A 25 ILE C . 18210 1 286 . 1 1 25 25 ILE CA C 13 62.612 0.1 . 1 . . . A 25 ILE CA . 18210 1 287 . 1 1 25 25 ILE CB C 13 38.360 0.1 . 1 . . . A 25 ILE CB . 18210 1 288 . 1 1 25 25 ILE CG1 C 13 26.989 0.1 . 1 . . . A 25 ILE CG1 . 18210 1 289 . 1 1 25 25 ILE CG2 C 13 17.968 0.1 . 1 . . . A 25 ILE CG2 . 18210 1 290 . 1 1 25 25 ILE CD1 C 13 14.007 0.1 . 1 . . . A 25 ILE CD1 . 18210 1 291 . 1 1 26 26 SER H H 1 7.813 0.03 . 1 . . . A 26 SER H . 18210 1 292 . 1 1 26 26 SER HA H 1 4.663 0.03 . 1 . . . A 26 SER HA . 18210 1 293 . 1 1 26 26 SER HB3 H 1 3.996 0.03 . 1 . . . A 26 SER HB3 . 18210 1 294 . 1 1 26 26 SER C C 13 174.462 0.1 . 1 . . . A 26 SER C . 18210 1 295 . 1 1 26 26 SER CA C 13 58.392 0.1 . 1 . . . A 26 SER CA . 18210 1 296 . 1 1 26 26 SER CB C 13 64.380 0.1 . 1 . . . A 26 SER CB . 18210 1 297 . 1 1 26 26 SER N N 15 116.293 0.1 . 1 . . . A 26 SER N . 18210 1 298 . 1 1 27 27 ASN H H 1 8.521 0.03 . 1 . . . A 27 ASN H . 18210 1 299 . 1 1 27 27 ASN HA H 1 4.721 0.03 . 1 . . . A 27 ASN HA . 18210 1 300 . 1 1 27 27 ASN HB3 H 1 2.946 0.03 . 1 . . . A 27 ASN HB3 . 18210 1 301 . 1 1 27 27 ASN HD21 H 1 7.540 0.03 . 1 . . . A 27 ASN HD21 . 18210 1 302 . 1 1 27 27 ASN HD22 H 1 6.907 0.03 . 1 . . . A 27 ASN HD22 . 18210 1 303 . 1 1 27 27 ASN C C 13 175.869 0.1 . 1 . . . A 27 ASN C . 18210 1 304 . 1 1 27 27 ASN CA C 13 54.010 0.1 . 1 . . . A 27 ASN CA . 18210 1 305 . 1 1 27 27 ASN CB C 13 38.640 0.1 . 1 . . . A 27 ASN CB . 18210 1 306 . 1 1 27 27 ASN N N 15 121.919 0.1 . 1 . . . A 27 ASN N . 18210 1 307 . 1 1 27 27 ASN ND2 N 15 112.280 0.1 . 1 . . . A 27 ASN ND2 . 18210 1 308 . 1 1 28 28 LYS H H 1 8.367 0.03 . 1 . . . A 28 LYS H . 18210 1 309 . 1 1 28 28 LYS HA H 1 4.360 0.03 . 1 . . . A 28 LYS HA . 18210 1 310 . 1 1 28 28 LYS HB2 H 1 1.792 0.03 . 1 . . . A 28 LYS HB2 . 18210 1 311 . 1 1 28 28 LYS HB3 H 1 1.937 0.03 . 1 . . . A 28 LYS HB3 . 18210 1 312 . 1 1 28 28 LYS HG3 H 1 1.688 0.03 . 1 . . . A 28 LYS HG3 . 18210 1 313 . 1 1 28 28 LYS HD3 H 1 1.482 0.03 . 1 . . . A 28 LYS HD3 . 18210 1 314 . 1 1 28 28 LYS HE3 H 1 3.016 0.03 . 1 . . . A 28 LYS HE3 . 18210 1 315 . 1 1 28 28 LYS C C 13 176.952 0.1 . 1 . . . A 28 LYS C . 18210 1 316 . 1 1 28 28 LYS CA C 13 56.967 0.1 . 1 . . . A 28 LYS CA . 18210 1 317 . 1 1 28 28 LYS CB C 13 32.730 0.1 . 1 . . . A 28 LYS CB . 18210 1 318 . 1 1 28 28 LYS CG C 13 24.859 0.1 . 1 . . . A 28 LYS CG . 18210 1 319 . 1 1 28 28 LYS CD C 13 28.908 0.1 . 1 . . . A 28 LYS CD . 18210 1 320 . 1 1 28 28 LYS CE C 13 42.224 0.1 . 1 . . . A 28 LYS CE . 18210 1 321 . 1 1 28 28 LYS N N 15 121.697 0.1 . 1 . . . A 28 LYS N . 18210 1 322 . 1 1 29 29 SER HA H 1 4.498 0.03 . 1 . . . A 29 SER HA . 18210 1 323 . 1 1 29 29 SER HB3 H 1 3.950 0.03 . 1 . . . A 29 SER HB3 . 18210 1 324 . 1 1 29 29 SER C C 13 174.741 0.1 . 1 . . . A 29 SER C . 18210 1 325 . 1 1 29 29 SER CA C 13 58.557 0.1 . 1 . . . A 29 SER CA . 18210 1 326 . 1 1 29 29 SER CB C 13 63.945 0.1 . 1 . . . A 29 SER CB . 18210 1 327 . 1 1 30 30 SER H H 1 8.140 0.03 . 1 . . . A 30 SER H . 18210 1 328 . 1 1 30 30 SER HA H 1 4.429 0.03 . 1 . . . A 30 SER HA . 18210 1 329 . 1 1 30 30 SER HB3 H 1 3.920 0.03 . 1 . . . A 30 SER HB3 . 18210 1 330 . 1 1 30 30 SER C C 13 174.467 0.1 . 1 . . . A 30 SER C . 18210 1 331 . 1 1 30 30 SER CA C 13 58.616 0.1 . 1 . . . A 30 SER CA . 18210 1 332 . 1 1 30 30 SER CB C 13 63.834 0.1 . 1 . . . A 30 SER CB . 18210 1 333 . 1 1 30 30 SER N N 15 116.470 0.1 . 1 . . . A 30 SER N . 18210 1 334 . 1 1 31 31 ASN H H 1 8.354 0.03 . 1 . . . A 31 ASN H . 18210 1 335 . 1 1 31 31 ASN HA H 1 4.697 0.03 . 1 . . . A 31 ASN HA . 18210 1 336 . 1 1 31 31 ASN HB2 H 1 2.814 0.03 . 1 . . . A 31 ASN HB2 . 18210 1 337 . 1 1 31 31 ASN HB3 H 1 2.906 0.03 . 1 . . . A 31 ASN HB3 . 18210 1 338 . 1 1 31 31 ASN HD21 H 1 7.544 0.03 . 1 . . . A 31 ASN HD21 . 18210 1 339 . 1 1 31 31 ASN HD22 H 1 6.890 0.03 . 1 . . . A 31 ASN HD22 . 18210 1 340 . 1 1 31 31 ASN C C 13 174.930 0.1 . 1 . . . A 31 ASN C . 18210 1 341 . 1 1 31 31 ASN CA C 13 53.583 0.1 . 1 . . . A 31 ASN CA . 18210 1 342 . 1 1 31 31 ASN CB C 13 38.733 0.1 . 1 . . . A 31 ASN CB . 18210 1 343 . 1 1 31 31 ASN N N 15 119.457 0.1 . 1 . . . A 31 ASN N . 18210 1 344 . 1 1 31 31 ASN ND2 N 15 111.691 0.1 . 1 . . . A 31 ASN ND2 . 18210 1 345 . 1 1 32 32 ASN H H 1 8.218 0.03 . 1 . . . A 32 ASN H . 18210 1 346 . 1 1 32 32 ASN HA H 1 4.698 0.03 . 1 . . . A 32 ASN HA . 18210 1 347 . 1 1 32 32 ASN HB2 H 1 2.758 0.03 . 1 . . . A 32 ASN HB2 . 18210 1 348 . 1 1 32 32 ASN HB3 H 1 2.865 0.03 . 1 . . . A 32 ASN HB3 . 18210 1 349 . 1 1 32 32 ASN HD21 H 1 7.507 0.03 . 1 . . . A 32 ASN HD21 . 18210 1 350 . 1 1 32 32 ASN HD22 H 1 6.890 0.03 . 1 . . . A 32 ASN HD22 . 18210 1 351 . 1 1 32 32 ASN C C 13 174.979 0.1 . 1 . . . A 32 ASN C . 18210 1 352 . 1 1 32 32 ASN CA C 13 53.580 0.1 . 1 . . . A 32 ASN CA . 18210 1 353 . 1 1 32 32 ASN CB C 13 38.810 0.1 . 1 . . . A 32 ASN CB . 18210 1 354 . 1 1 32 32 ASN N N 15 118.038 0.1 . 1 . . . A 32 ASN N . 18210 1 355 . 1 1 32 32 ASN ND2 N 15 112.501 0.1 . 1 . . . A 32 ASN ND2 . 18210 1 356 . 1 1 33 33 GLN H H 1 8.337 0.03 . 1 . . . A 33 GLN H . 18210 1 357 . 1 1 33 33 GLN HA H 1 4.353 0.03 . 1 . . . A 33 GLN HA . 18210 1 358 . 1 1 33 33 GLN HB2 H 1 1.942 0.03 . 1 . . . A 33 GLN HB2 . 18210 1 359 . 1 1 33 33 GLN HB3 H 1 2.211 0.03 . 1 . . . A 33 GLN HB3 . 18210 1 360 . 1 1 33 33 GLN HG3 H 1 2.331 0.03 . 1 . . . A 33 GLN HG3 . 18210 1 361 . 1 1 33 33 GLN HE21 H 1 7.419 0.03 . 1 . . . A 33 GLN HE21 . 18210 1 362 . 1 1 33 33 GLN HE22 H 1 6.779 0.03 . 1 . . . A 33 GLN HE22 . 18210 1 363 . 1 1 33 33 GLN C C 13 175.735 0.1 . 1 . . . A 33 GLN C . 18210 1 364 . 1 1 33 33 GLN CA C 13 55.883 0.1 . 1 . . . A 33 GLN CA . 18210 1 365 . 1 1 33 33 GLN CB C 13 29.131 0.1 . 1 . . . A 33 GLN CB . 18210 1 366 . 1 1 33 33 GLN CG C 13 34.015 0.1 . 1 . . . A 33 GLN CG . 18210 1 367 . 1 1 33 33 GLN N N 15 119.603 0.1 . 1 . . . A 33 GLN N . 18210 1 368 . 1 1 33 33 GLN NE2 N 15 112.062 0.1 . 1 . . . A 33 GLN NE2 . 18210 1 369 . 1 1 34 34 GLN H H 1 8.087 0.03 . 1 . . . A 34 GLN H . 18210 1 370 . 1 1 34 34 GLN HA H 1 4.278 0.03 . 1 . . . A 34 GLN HA . 18210 1 371 . 1 1 34 34 GLN HB2 H 1 1.973 0.03 . 1 . . . A 34 GLN HB2 . 18210 1 372 . 1 1 34 34 GLN HB3 H 1 2.119 0.03 . 1 . . . A 34 GLN HB3 . 18210 1 373 . 1 1 34 34 GLN HG3 H 1 2.384 0.03 . 1 . . . A 34 GLN HG3 . 18210 1 374 . 1 1 34 34 GLN HE21 H 1 6.804 0.03 . 1 . . . A 34 GLN HE21 . 18210 1 375 . 1 1 34 34 GLN HE22 H 1 7.464 0.03 . 1 . . . A 34 GLN HE22 . 18210 1 376 . 1 1 34 34 GLN C C 13 175.170 0.1 . 1 . . . A 34 GLN C . 18210 1 377 . 1 1 34 34 GLN CA C 13 56.102 0.1 . 1 . . . A 34 GLN CA . 18210 1 378 . 1 1 34 34 GLN CB C 13 29.870 0.1 . 1 . . . A 34 GLN CB . 18210 1 379 . 1 1 34 34 GLN CG C 13 33.975 0.1 . 1 . . . A 34 GLN CG . 18210 1 380 . 1 1 34 34 GLN NE2 N 15 112.140 0.1 . 1 . . . A 34 GLN NE2 . 18210 1 381 . 1 1 35 35 ASP H H 1 8.033 0.03 . 1 . . . A 35 ASP H . 18210 1 382 . 1 1 35 35 ASP HA H 1 4.720 0.03 . 1 . . . A 35 ASP HA . 18210 1 383 . 1 1 35 35 ASP HB2 H 1 2.231 0.03 . 1 . . . A 35 ASP HB2 . 18210 1 384 . 1 1 35 35 ASP HB3 H 1 2.411 0.03 . 1 . . . A 35 ASP HB3 . 18210 1 385 . 1 1 35 35 ASP C C 13 175.810 0.1 . 1 . . . A 35 ASP C . 18210 1 386 . 1 1 35 35 ASP CA C 13 54.292 0.1 . 1 . . . A 35 ASP CA . 18210 1 387 . 1 1 35 35 ASP CB C 13 41.462 0.1 . 1 . . . A 35 ASP CB . 18210 1 388 . 1 1 36 36 ILE H H 1 8.421 0.03 . 1 . . . A 36 ILE H . 18210 1 389 . 1 1 36 36 ILE HA H 1 4.064 0.03 . 1 . . . A 36 ILE HA . 18210 1 390 . 1 1 36 36 ILE HB H 1 1.820 0.03 . 1 . . . A 36 ILE HB . 18210 1 391 . 1 1 36 36 ILE HG12 H 1 1.160 0.03 . 1 . . . A 36 ILE HG12 . 18210 1 392 . 1 1 36 36 ILE HG13 H 1 1.340 0.03 . 1 . . . A 36 ILE HG13 . 18210 1 393 . 1 1 36 36 ILE HG21 H 1 0.484 0.03 . 1 . . . A 36 ILE HG21 . 18210 1 394 . 1 1 36 36 ILE HG22 H 1 0.484 0.03 . 1 . . . A 36 ILE HG22 . 18210 1 395 . 1 1 36 36 ILE HG23 H 1 0.484 0.03 . 1 . . . A 36 ILE HG23 . 18210 1 396 . 1 1 36 36 ILE HD11 H 1 0.748 0.03 . 1 . . . A 36 ILE HD11 . 18210 1 397 . 1 1 36 36 ILE HD12 H 1 0.748 0.03 . 1 . . . A 36 ILE HD12 . 18210 1 398 . 1 1 36 36 ILE HD13 H 1 0.748 0.03 . 1 . . . A 36 ILE HD13 . 18210 1 399 . 1 1 36 36 ILE C C 13 173.823 0.1 . 1 . . . A 36 ILE C . 18210 1 400 . 1 1 36 36 ILE CA C 13 60.506 0.1 . 1 . . . A 36 ILE CA . 18210 1 401 . 1 1 36 36 ILE CB C 13 37.712 0.1 . 1 . . . A 36 ILE CB . 18210 1 402 . 1 1 36 36 ILE CG1 C 13 27.253 0.1 . 1 . . . A 36 ILE CG1 . 18210 1 403 . 1 1 36 36 ILE CG2 C 13 17.509 0.1 . 1 . . . A 36 ILE CG2 . 18210 1 404 . 1 1 36 36 ILE CD1 C 13 12.363 0.1 . 1 . . . A 36 ILE CD1 . 18210 1 405 . 1 1 36 36 ILE N N 15 122.378 0.1 . 1 . . . A 36 ILE N . 18210 1 406 . 1 1 37 37 VAL HA H 1 4.507 0.03 . 1 . . . A 37 VAL HA . 18210 1 407 . 1 1 37 37 VAL HB H 1 1.862 0.03 . 1 . . . A 37 VAL HB . 18210 1 408 . 1 1 37 37 VAL HG11 H 1 0.626 0.03 . 1 . . . A 37 VAL HG11 . 18210 1 409 . 1 1 37 37 VAL HG12 H 1 0.626 0.03 . 1 . . . A 37 VAL HG12 . 18210 1 410 . 1 1 37 37 VAL HG13 H 1 0.626 0.03 . 1 . . . A 37 VAL HG13 . 18210 1 411 . 1 1 37 37 VAL HG21 H 1 0.645 0.03 . 1 . . . A 37 VAL HG21 . 18210 1 412 . 1 1 37 37 VAL HG22 H 1 0.645 0.03 . 1 . . . A 37 VAL HG22 . 18210 1 413 . 1 1 37 37 VAL HG23 H 1 0.645 0.03 . 1 . . . A 37 VAL HG23 . 18210 1 414 . 1 1 37 37 VAL C C 13 174.956 0.1 . 1 . . . A 37 VAL C . 18210 1 415 . 1 1 37 37 VAL CA C 13 61.535 0.1 . 1 . . . A 37 VAL CA . 18210 1 416 . 1 1 37 37 VAL CB C 13 32.932 0.1 . 1 . . . A 37 VAL CB . 18210 1 417 . 1 1 37 37 VAL CG1 C 13 20.995 0.1 . 1 . . . A 37 VAL CG1 . 18210 1 418 . 1 1 37 37 VAL CG2 C 13 20.247 0.1 . 1 . . . A 37 VAL CG2 . 18210 1 419 . 1 1 38 38 CYS HA H 1 4.781 0.03 . 1 . . . A 38 CYS HA . 18210 1 420 . 1 1 38 38 CYS HB3 H 1 3.434 0.03 . 1 . . . A 38 CYS HB3 . 18210 1 421 . 1 1 38 38 CYS C C 13 172.106 0.1 . 1 . . . A 38 CYS C . 18210 1 422 . 1 1 38 38 CYS CA C 13 55.218 0.1 . 1 . . . A 38 CYS CA . 18210 1 423 . 1 1 38 38 CYS CB C 13 49.957 0.1 . 1 . . . A 38 CYS CB . 18210 1 424 . 1 1 39 39 THR H H 1 8.229 0.03 . 1 . . . A 39 THR H . 18210 1 425 . 1 1 39 39 THR HA H 1 4.998 0.03 . 1 . . . A 39 THR HA . 18210 1 426 . 1 1 39 39 THR HB H 1 3.768 0.03 . 1 . . . A 39 THR HB . 18210 1 427 . 1 1 39 39 THR HG21 H 1 0.861 0.03 . 1 . . . A 39 THR HG21 . 18210 1 428 . 1 1 39 39 THR HG22 H 1 0.861 0.03 . 1 . . . A 39 THR HG22 . 18210 1 429 . 1 1 39 39 THR HG23 H 1 0.861 0.03 . 1 . . . A 39 THR HG23 . 18210 1 430 . 1 1 39 39 THR C C 13 174.687 0.1 . 1 . . . A 39 THR C . 18210 1 431 . 1 1 39 39 THR CA C 13 61.514 0.1 . 1 . . . A 39 THR CA . 18210 1 432 . 1 1 39 39 THR CB C 13 69.880 0.1 . 1 . . . A 39 THR CB . 18210 1 433 . 1 1 39 39 THR CG2 C 13 21.284 0.1 . 1 . . . A 39 THR CG2 . 18210 1 434 . 1 1 39 39 THR N N 15 123.385 0.1 . 1 . . . A 39 THR N . 18210 1 435 . 1 1 40 40 VAL H H 1 8.892 0.03 . 1 . . . A 40 VAL H . 18210 1 436 . 1 1 40 40 VAL HA H 1 4.280 0.03 . 1 . . . A 40 VAL HA . 18210 1 437 . 1 1 40 40 VAL HB H 1 1.864 0.03 . 1 . . . A 40 VAL HB . 18210 1 438 . 1 1 40 40 VAL HG11 H 1 0.860 0.03 . 1 . . . A 40 VAL HG11 . 18210 1 439 . 1 1 40 40 VAL HG12 H 1 0.860 0.03 . 1 . . . A 40 VAL HG12 . 18210 1 440 . 1 1 40 40 VAL HG13 H 1 0.860 0.03 . 1 . . . A 40 VAL HG13 . 18210 1 441 . 1 1 40 40 VAL HG21 H 1 0.921 0.03 . 1 . . . A 40 VAL HG21 . 18210 1 442 . 1 1 40 40 VAL HG22 H 1 0.921 0.03 . 1 . . . A 40 VAL HG22 . 18210 1 443 . 1 1 40 40 VAL HG23 H 1 0.921 0.03 . 1 . . . A 40 VAL HG23 . 18210 1 444 . 1 1 40 40 VAL C C 13 173.622 0.1 . 1 . . . A 40 VAL C . 18210 1 445 . 1 1 40 40 VAL CA C 13 60.407 0.1 . 1 . . . A 40 VAL CA . 18210 1 446 . 1 1 40 40 VAL CB C 13 34.800 0.1 . 1 . . . A 40 VAL CB . 18210 1 447 . 1 1 40 40 VAL CG1 C 13 21.250 0.1 . 1 . . . A 40 VAL CG1 . 18210 1 448 . 1 1 40 40 VAL CG2 C 13 21.540 0.1 . 1 . . . A 40 VAL CG2 . 18210 1 449 . 1 1 40 40 VAL N N 15 125.782 0.1 . 1 . . . A 40 VAL N . 18210 1 450 . 1 1 41 41 LYS HA H 1 4.905 0.03 . 1 . . . A 41 LYS HA . 18210 1 451 . 1 1 41 41 LYS HB3 H 1 1.751 0.03 . 1 . . . A 41 LYS HB3 . 18210 1 452 . 1 1 41 41 LYS HG3 H 1 1.601 0.03 . 1 . . . A 41 LYS HG3 . 18210 1 453 . 1 1 41 41 LYS HD3 H 1 1.301 0.03 . 1 . . . A 41 LYS HD3 . 18210 1 454 . 1 1 41 41 LYS HE3 H 1 2.906 0.03 . 1 . . . A 41 LYS HE3 . 18210 1 455 . 1 1 41 41 LYS C C 13 175.624 0.1 . 1 . . . A 41 LYS C . 18210 1 456 . 1 1 41 41 LYS CA C 13 54.247 0.1 . 1 . . . A 41 LYS CA . 18210 1 457 . 1 1 41 41 LYS CB C 13 31.902 0.1 . 1 . . . A 41 LYS CB . 18210 1 458 . 1 1 41 41 LYS CG C 13 24.622 0.1 . 1 . . . A 41 LYS CG . 18210 1 459 . 1 1 41 41 LYS CD C 13 28.734 0.1 . 1 . . . A 41 LYS CD . 18210 1 460 . 1 1 41 41 LYS CE C 13 42.146 0.1 . 1 . . . A 41 LYS CE . 18210 1 461 . 1 1 42 42 ALA HA H 1 4.307 0.03 . 1 . . . A 42 ALA HA . 18210 1 462 . 1 1 42 42 ALA HB1 H 1 1.275 0.03 . 1 . . . A 42 ALA HB1 . 18210 1 463 . 1 1 42 42 ALA HB2 H 1 1.275 0.03 . 1 . . . A 42 ALA HB2 . 18210 1 464 . 1 1 42 42 ALA HB3 H 1 1.275 0.03 . 1 . . . A 42 ALA HB3 . 18210 1 465 . 1 1 42 42 ALA C C 13 175.028 0.1 . 1 . . . A 42 ALA C . 18210 1 466 . 1 1 42 42 ALA CA C 13 51.544 0.1 . 1 . . . A 42 ALA CA . 18210 1 467 . 1 1 42 42 ALA CB C 13 22.233 0.1 . 1 . . . A 42 ALA CB . 18210 1 468 . 1 1 43 43 HIS H H 1 8.722 0.03 . 1 . . . A 43 HIS H . 18210 1 469 . 1 1 43 43 HIS HA H 1 4.779 0.03 . 1 . . . A 43 HIS HA . 18210 1 470 . 1 1 43 43 HIS HB2 H 1 3.377 0.03 . 1 . . . A 43 HIS HB2 . 18210 1 471 . 1 1 43 43 HIS HB3 H 1 3.377 0.03 . 1 . . . A 43 HIS HB3 . 18210 1 472 . 1 1 43 43 HIS HD2 H 1 7.357 0.03 . 1 . . . A 43 HIS HD2 . 18210 1 473 . 1 1 43 43 HIS HE1 H 1 8.552 0.03 . 1 . . . A 43 HIS HE1 . 18210 1 474 . 1 1 43 43 HIS C C 13 172.767 0.1 . 1 . . . A 43 HIS C . 18210 1 475 . 1 1 43 43 HIS CA C 13 53.601 0.1 . 1 . . . A 43 HIS CA . 18210 1 476 . 1 1 43 43 HIS CB C 13 31.299 0.1 . 1 . . . A 43 HIS CB . 18210 1 477 . 1 1 43 43 HIS CD2 C 13 119.900 0.1 . 1 . . . A 43 HIS CD2 . 18210 1 478 . 1 1 43 43 HIS CE1 C 13 136.220 0.1 . 1 . . . A 43 HIS CE1 . 18210 1 479 . 1 1 44 44 ALA H H 1 8.468 0.03 . 1 . . . A 44 ALA H . 18210 1 480 . 1 1 44 44 ALA HA H 1 4.040 0.03 . 1 . . . A 44 ALA HA . 18210 1 481 . 1 1 44 44 ALA HB1 H 1 1.310 0.03 . 1 . . . A 44 ALA HB1 . 18210 1 482 . 1 1 44 44 ALA HB2 H 1 1.310 0.03 . 1 . . . A 44 ALA HB2 . 18210 1 483 . 1 1 44 44 ALA HB3 H 1 1.310 0.03 . 1 . . . A 44 ALA HB3 . 18210 1 484 . 1 1 44 44 ALA C C 13 178.087 0.1 . 1 . . . A 44 ALA C . 18210 1 485 . 1 1 44 44 ALA CA C 13 53.862 0.1 . 1 . . . A 44 ALA CA . 18210 1 486 . 1 1 44 44 ALA CB C 13 19.024 0.1 . 1 . . . A 44 ALA CB . 18210 1 487 . 1 1 45 45 ASN H H 1 7.356 0.03 . 1 . . . A 45 ASN H . 18210 1 488 . 1 1 45 45 ASN HA H 1 4.342 0.03 . 1 . . . A 45 ASN HA . 18210 1 489 . 1 1 45 45 ASN HB3 H 1 3.049 0.03 . 1 . . . A 45 ASN HB3 . 18210 1 490 . 1 1 45 45 ASN HD21 H 1 7.414 0.03 . 1 . . . A 45 ASN HD21 . 18210 1 491 . 1 1 45 45 ASN HD22 H 1 7.779 0.03 . 1 . . . A 45 ASN HD22 . 18210 1 492 . 1 1 45 45 ASN C C 13 174.441 0.1 . 1 . . . A 45 ASN C . 18210 1 493 . 1 1 45 45 ASN CA C 13 55.328 0.1 . 1 . . . A 45 ASN CA . 18210 1 494 . 1 1 45 45 ASN CB C 13 38.679 0.1 . 1 . . . A 45 ASN CB . 18210 1 495 . 1 1 45 45 ASN N N 15 113.483 0.1 . 1 . . . A 45 ASN N . 18210 1 496 . 1 1 45 45 ASN ND2 N 15 113.632 0.1 . 1 . . . A 45 ASN ND2 . 18210 1 497 . 1 1 46 46 ASP H H 1 7.959 0.03 . 1 . . . A 46 ASP H . 18210 1 498 . 1 1 46 46 ASP HA H 1 4.591 0.03 . 1 . . . A 46 ASP HA . 18210 1 499 . 1 1 46 46 ASP HB2 H 1 2.500 0.03 . 1 . . . A 46 ASP HB2 . 18210 1 500 . 1 1 46 46 ASP HB3 H 1 2.990 0.03 . 1 . . . A 46 ASP HB3 . 18210 1 501 . 1 1 46 46 ASP C C 13 175.724 0.1 . 1 . . . A 46 ASP C . 18210 1 502 . 1 1 46 46 ASP CA C 13 56.169 0.1 . 1 . . . A 46 ASP CA . 18210 1 503 . 1 1 46 46 ASP CB C 13 41.519 0.1 . 1 . . . A 46 ASP CB . 18210 1 504 . 1 1 46 46 ASP N N 15 120.941 0.1 . 1 . . . A 46 ASP N . 18210 1 505 . 1 1 47 47 LEU H H 1 8.156 0.03 . 1 . . . A 47 LEU H . 18210 1 506 . 1 1 47 47 LEU HA H 1 4.976 0.03 . 1 . . . A 47 LEU HA . 18210 1 507 . 1 1 47 47 LEU HB2 H 1 1.404 0.03 . 1 . . . A 47 LEU HB2 . 18210 1 508 . 1 1 47 47 LEU HB3 H 1 1.897 0.03 . 1 . . . A 47 LEU HB3 . 18210 1 509 . 1 1 47 47 LEU HG H 1 1.640 0.03 . 1 . . . A 47 LEU HG . 18210 1 510 . 1 1 47 47 LEU HD11 H 1 0.904 0.03 . 1 . . . A 47 LEU HD11 . 18210 1 511 . 1 1 47 47 LEU HD12 H 1 0.904 0.03 . 1 . . . A 47 LEU HD12 . 18210 1 512 . 1 1 47 47 LEU HD13 H 1 0.904 0.03 . 1 . . . A 47 LEU HD13 . 18210 1 513 . 1 1 47 47 LEU HD21 H 1 0.818 0.03 . 1 . . . A 47 LEU HD21 . 18210 1 514 . 1 1 47 47 LEU HD22 H 1 0.818 0.03 . 1 . . . A 47 LEU HD22 . 18210 1 515 . 1 1 47 47 LEU HD23 H 1 0.818 0.03 . 1 . . . A 47 LEU HD23 . 18210 1 516 . 1 1 47 47 LEU C C 13 175.735 0.1 . 1 . . . A 47 LEU C . 18210 1 517 . 1 1 47 47 LEU CA C 13 54.691 0.1 . 1 . . . A 47 LEU CA . 18210 1 518 . 1 1 47 47 LEU CB C 13 43.566 0.1 . 1 . . . A 47 LEU CB . 18210 1 519 . 1 1 47 47 LEU CG C 13 27.378 0.1 . 1 . . . A 47 LEU CG . 18210 1 520 . 1 1 47 47 LEU CD1 C 13 23.787 0.1 . 1 . . . A 47 LEU CD1 . 18210 1 521 . 1 1 47 47 LEU CD2 C 13 25.997 0.1 . 1 . . . A 47 LEU CD2 . 18210 1 522 . 1 1 47 47 LEU N N 15 123.735 0.1 . 1 . . . A 47 LEU N . 18210 1 523 . 1 1 48 48 ILE HA H 1 6.271 0.03 . 1 . . . A 48 ILE HA . 18210 1 524 . 1 1 48 48 ILE HB H 1 2.110 0.03 . 1 . . . A 48 ILE HB . 18210 1 525 . 1 1 48 48 ILE HG12 H 1 1.358 0.03 . 1 . . . A 48 ILE HG12 . 18210 1 526 . 1 1 48 48 ILE HG13 H 1 1.071 0.03 . 1 . . . A 48 ILE HG13 . 18210 1 527 . 1 1 48 48 ILE HG21 H 1 1.024 0.03 . 1 . . . A 48 ILE HG21 . 18210 1 528 . 1 1 48 48 ILE HG22 H 1 1.024 0.03 . 1 . . . A 48 ILE HG22 . 18210 1 529 . 1 1 48 48 ILE HG23 H 1 1.024 0.03 . 1 . . . A 48 ILE HG23 . 18210 1 530 . 1 1 48 48 ILE HD11 H 1 0.950 0.03 . 1 . . . A 48 ILE HD11 . 18210 1 531 . 1 1 48 48 ILE HD12 H 1 0.950 0.03 . 1 . . . A 48 ILE HD12 . 18210 1 532 . 1 1 48 48 ILE HD13 H 1 0.950 0.03 . 1 . . . A 48 ILE HD13 . 18210 1 533 . 1 1 48 48 ILE C C 13 175.979 0.1 . 1 . . . A 48 ILE C . 18210 1 534 . 1 1 48 48 ILE CA C 13 58.953 0.1 . 1 . . . A 48 ILE CA . 18210 1 535 . 1 1 48 48 ILE CB C 13 44.138 0.1 . 1 . . . A 48 ILE CB . 18210 1 536 . 1 1 48 48 ILE CG1 C 13 25.702 0.1 . 1 . . . A 48 ILE CG1 . 18210 1 537 . 1 1 48 48 ILE CG2 C 13 18.376 0.1 . 1 . . . A 48 ILE CG2 . 18210 1 538 . 1 1 48 48 ILE CD1 C 13 16.087 0.1 . 1 . . . A 48 ILE CD1 . 18210 1 539 . 1 1 49 49 GLY H H 1 7.900 0.03 . 1 . . . A 49 GLY H . 18210 1 540 . 1 1 49 49 GLY HA2 H 1 4.873 0.03 . 1 . . . A 49 GLY HA2 . 18210 1 541 . 1 1 49 49 GLY HA3 H 1 4.123 0.03 . 1 . . . A 49 GLY HA3 . 18210 1 542 . 1 1 49 49 GLY C C 13 169.506 0.1 . 1 . . . A 49 GLY C . 18210 1 543 . 1 1 49 49 GLY CA C 13 48.190 0.1 . 1 . . . A 49 GLY CA . 18210 1 544 . 1 1 49 49 GLY N N 15 102.726 0.1 . 1 . . . A 49 GLY N . 18210 1 545 . 1 1 50 50 PHE H H 1 8.248 0.03 . 1 . . . A 50 PHE H . 18210 1 546 . 1 1 50 50 PHE HA H 1 3.913 0.03 . 1 . . . A 50 PHE HA . 18210 1 547 . 1 1 50 50 PHE HB2 H 1 2.383 0.03 . 1 . . . A 50 PHE HB2 . 18210 1 548 . 1 1 50 50 PHE HB3 H 1 2.677 0.03 . 1 . . . A 50 PHE HB3 . 18210 1 549 . 1 1 50 50 PHE HD1 H 1 6.193 0.03 . 3 . . . A 50 PHE HD1 . 18210 1 550 . 1 1 50 50 PHE HD2 H 1 6.193 0.03 . 3 . . . A 50 PHE HD2 . 18210 1 551 . 1 1 50 50 PHE HE1 H 1 6.476 0.03 . 3 . . . A 50 PHE HE1 . 18210 1 552 . 1 1 50 50 PHE HE2 H 1 6.476 0.03 . 3 . . . A 50 PHE HE2 . 18210 1 553 . 1 1 50 50 PHE HZ H 1 6.086 0.03 . 1 . . . A 50 PHE HZ . 18210 1 554 . 1 1 50 50 PHE C C 13 171.823 0.1 . 1 . . . A 50 PHE C . 18210 1 555 . 1 1 50 50 PHE CA C 13 55.727 0.1 . 1 . . . A 50 PHE CA . 18210 1 556 . 1 1 50 50 PHE CB C 13 41.029 0.1 . 1 . . . A 50 PHE CB . 18210 1 557 . 1 1 50 50 PHE CD1 C 13 131.790 0.1 . 3 . . . A 50 PHE CD1 . 18210 1 558 . 1 1 50 50 PHE CD2 C 13 131.790 0.1 . 3 . . . A 50 PHE CD2 . 18210 1 559 . 1 1 50 50 PHE CE1 C 13 130.558 0.1 . 3 . . . A 50 PHE CE1 . 18210 1 560 . 1 1 50 50 PHE CE2 C 13 130.558 0.1 . 3 . . . A 50 PHE CE2 . 18210 1 561 . 1 1 50 50 PHE CZ C 13 128.876 0.1 . 1 . . . A 50 PHE CZ . 18210 1 562 . 1 1 50 50 PHE N N 15 111.884 0.1 . 1 . . . A 50 PHE N . 18210 1 563 . 1 1 51 51 LYS H H 1 7.857 0.03 . 1 . . . A 51 LYS H . 18210 1 564 . 1 1 51 51 LYS HA H 1 5.384 0.03 . 1 . . . A 51 LYS HA . 18210 1 565 . 1 1 51 51 LYS HB3 H 1 1.693 0.03 . 1 . . . A 51 LYS HB3 . 18210 1 566 . 1 1 51 51 LYS HG3 H 1 1.835 0.03 . 1 . . . A 51 LYS HG3 . 18210 1 567 . 1 1 51 51 LYS HD2 H 1 1.508 0.03 . 1 . . . A 51 LYS HD2 . 18210 1 568 . 1 1 51 51 LYS HD3 H 1 1.078 0.03 . 1 . . . A 51 LYS HD3 . 18210 1 569 . 1 1 51 51 LYS HE3 H 1 2.997 0.03 . 1 . . . A 51 LYS HE3 . 18210 1 570 . 1 1 51 51 LYS C C 13 176.140 0.1 . 1 . . . A 51 LYS C . 18210 1 571 . 1 1 51 51 LYS CA C 13 54.421 0.1 . 1 . . . A 51 LYS CA . 18210 1 572 . 1 1 51 51 LYS CB C 13 37.920 0.1 . 1 . . . A 51 LYS CB . 18210 1 573 . 1 1 51 51 LYS CG C 13 24.872 0.1 . 1 . . . A 51 LYS CG . 18210 1 574 . 1 1 51 51 LYS CD C 13 30.335 0.1 . 1 . . . A 51 LYS CD . 18210 1 575 . 1 1 51 51 LYS CE C 13 42.562 0.1 . 1 . . . A 51 LYS CE . 18210 1 576 . 1 1 51 51 LYS N N 15 117.924 0.1 . 1 . . . A 51 LYS N . 18210 1 577 . 1 1 52 52 CYS HA H 1 5.021 0.03 . 1 . . . A 52 CYS HA . 18210 1 578 . 1 1 52 52 CYS HB2 H 1 3.078 0.03 . 1 . . . A 52 CYS HB2 . 18210 1 579 . 1 1 52 52 CYS HB3 H 1 2.756 0.03 . 1 . . . A 52 CYS HB3 . 18210 1 580 . 1 1 52 52 CYS CA C 13 52.191 0.1 . 1 . . . A 52 CYS CA . 18210 1 581 . 1 1 52 52 CYS CB C 13 41.187 0.1 . 1 . . . A 52 CYS CB . 18210 1 582 . 1 1 53 53 PRO HA H 1 4.377 0.03 . 1 . . . A 53 PRO HA . 18210 1 583 . 1 1 53 53 PRO HB2 H 1 1.833 0.03 . 1 . . . A 53 PRO HB2 . 18210 1 584 . 1 1 53 53 PRO HB3 H 1 2.438 0.03 . 1 . . . A 53 PRO HB3 . 18210 1 585 . 1 1 53 53 PRO HG2 H 1 1.566 0.03 . 1 . . . A 53 PRO HG2 . 18210 1 586 . 1 1 53 53 PRO HG3 H 1 1.067 0.03 . 1 . . . A 53 PRO HG3 . 18210 1 587 . 1 1 53 53 PRO HD2 H 1 3.164 0.03 . 1 . . . A 53 PRO HD2 . 18210 1 588 . 1 1 53 53 PRO HD3 H 1 2.310 0.03 . 1 . . . A 53 PRO HD3 . 18210 1 589 . 1 1 53 53 PRO C C 13 177.624 0.1 . 1 . . . A 53 PRO C . 18210 1 590 . 1 1 53 53 PRO CA C 13 62.570 0.1 . 1 . . . A 53 PRO CA . 18210 1 591 . 1 1 53 53 PRO CB C 13 31.256 0.1 . 1 . . . A 53 PRO CB . 18210 1 592 . 1 1 53 53 PRO CG C 13 27.648 0.1 . 1 . . . A 53 PRO CG . 18210 1 593 . 1 1 53 53 PRO CD C 13 50.413 0.1 . 1 . . . A 53 PRO CD . 18210 1 594 . 1 1 54 54 SER HA H 1 4.106 0.03 . 1 . . . A 54 SER HA . 18210 1 595 . 1 1 54 54 SER HB2 H 1 3.966 0.03 . 1 . . . A 54 SER HB2 . 18210 1 596 . 1 1 54 54 SER C C 13 174.271 0.1 . 1 . . . A 54 SER C . 18210 1 597 . 1 1 54 54 SER CA C 13 61.221 0.1 . 1 . . . A 54 SER CA . 18210 1 598 . 1 1 54 54 SER CB C 13 63.243 0.1 . 1 . . . A 54 SER CB . 18210 1 599 . 1 1 55 55 ASN H H 1 8.712 0.03 . 1 . . . A 55 ASN H . 18210 1 600 . 1 1 55 55 ASN HA H 1 4.673 0.03 . 1 . . . A 55 ASN HA . 18210 1 601 . 1 1 55 55 ASN HB3 H 1 3.171 0.03 . 1 . . . A 55 ASN HB3 . 18210 1 602 . 1 1 55 55 ASN HD21 H 1 7.574 0.03 . 1 . . . A 55 ASN HD21 . 18210 1 603 . 1 1 55 55 ASN HD22 H 1 6.943 0.03 . 1 . . . A 55 ASN HD22 . 18210 1 604 . 1 1 55 55 ASN C C 13 174.556 0.1 . 1 . . . A 55 ASN C . 18210 1 605 . 1 1 55 55 ASN CA C 13 53.864 0.1 . 1 . . . A 55 ASN CA . 18210 1 606 . 1 1 55 55 ASN CB C 13 36.924 0.1 . 1 . . . A 55 ASN CB . 18210 1 607 . 1 1 55 55 ASN N N 15 115.116 0.1 . 1 . . . A 55 ASN N . 18210 1 608 . 1 1 55 55 ASN ND2 N 15 111.332 0.1 . 1 . . . A 55 ASN ND2 . 18210 1 609 . 1 1 56 56 TYR H H 1 7.637 0.03 . 1 . . . A 56 TYR H . 18210 1 610 . 1 1 56 56 TYR HA H 1 4.692 0.03 . 1 . . . A 56 TYR HA . 18210 1 611 . 1 1 56 56 TYR HB2 H 1 2.627 0.03 . 1 . . . A 56 TYR HB2 . 18210 1 612 . 1 1 56 56 TYR HB3 H 1 3.096 0.03 . 1 . . . A 56 TYR HB3 . 18210 1 613 . 1 1 56 56 TYR HD1 H 1 6.835 0.03 . 3 . . . A 56 TYR HD1 . 18210 1 614 . 1 1 56 56 TYR HD2 H 1 6.835 0.03 . 3 . . . A 56 TYR HD2 . 18210 1 615 . 1 1 56 56 TYR HE1 H 1 6.655 0.03 . 3 . . . A 56 TYR HE1 . 18210 1 616 . 1 1 56 56 TYR HE2 H 1 6.655 0.03 . 3 . . . A 56 TYR HE2 . 18210 1 617 . 1 1 56 56 TYR C C 13 176.019 0.1 . 1 . . . A 56 TYR C . 18210 1 618 . 1 1 56 56 TYR CA C 13 57.469 0.1 . 1 . . . A 56 TYR CA . 18210 1 619 . 1 1 56 56 TYR CB C 13 38.698 0.1 . 1 . . . A 56 TYR CB . 18210 1 620 . 1 1 56 56 TYR CD1 C 13 132.090 0.1 . 3 . . . A 56 TYR CD1 . 18210 1 621 . 1 1 56 56 TYR CD2 C 13 132.090 0.1 . 3 . . . A 56 TYR CD2 . 18210 1 622 . 1 1 56 56 TYR CE1 C 13 118.160 0.1 . 3 . . . A 56 TYR CE1 . 18210 1 623 . 1 1 56 56 TYR CE2 C 13 118.160 0.1 . 3 . . . A 56 TYR CE2 . 18210 1 624 . 1 1 56 56 TYR N N 15 120.489 0.1 . 1 . . . A 56 TYR N . 18210 1 625 . 1 1 57 57 SER H H 1 9.323 0.03 . 1 . . . A 57 SER H . 18210 1 626 . 1 1 57 57 SER HA H 1 4.915 0.03 . 1 . . . A 57 SER HA . 18210 1 627 . 1 1 57 57 SER HB2 H 1 3.865 0.03 . 1 . . . A 57 SER HB2 . 18210 1 628 . 1 1 57 57 SER HB3 H 1 3.897 0.03 . 1 . . . A 57 SER HB3 . 18210 1 629 . 1 1 57 57 SER C C 13 173.649 0.1 . 1 . . . A 57 SER C . 18210 1 630 . 1 1 57 57 SER CA C 13 57.586 0.1 . 1 . . . A 57 SER CA . 18210 1 631 . 1 1 57 57 SER CB C 13 64.766 0.1 . 1 . . . A 57 SER CB . 18210 1 632 . 1 1 57 57 SER N N 15 117.381 0.1 . 1 . . . A 57 SER N . 18210 1 633 . 1 1 58 58 VAL H H 1 8.474 0.03 . 1 . . . A 58 VAL H . 18210 1 634 . 1 1 58 58 VAL HA H 1 4.812 0.03 . 1 . . . A 58 VAL HA . 18210 1 635 . 1 1 58 58 VAL HB H 1 1.850 0.03 . 1 . . . A 58 VAL HB . 18210 1 636 . 1 1 58 58 VAL HG11 H 1 0.923 0.03 . 1 . . . A 58 VAL HG11 . 18210 1 637 . 1 1 58 58 VAL HG12 H 1 0.923 0.03 . 1 . . . A 58 VAL HG12 . 18210 1 638 . 1 1 58 58 VAL HG13 H 1 0.923 0.03 . 1 . . . A 58 VAL HG13 . 18210 1 639 . 1 1 58 58 VAL HG21 H 1 0.575 0.03 . 1 . . . A 58 VAL HG21 . 18210 1 640 . 1 1 58 58 VAL HG22 H 1 0.575 0.03 . 1 . . . A 58 VAL HG22 . 18210 1 641 . 1 1 58 58 VAL HG23 H 1 0.575 0.03 . 1 . . . A 58 VAL HG23 . 18210 1 642 . 1 1 58 58 VAL C C 13 174.911 0.1 . 1 . . . A 58 VAL C . 18210 1 643 . 1 1 58 58 VAL CA C 13 61.889 0.1 . 1 . . . A 58 VAL CA . 18210 1 644 . 1 1 58 58 VAL CB C 13 33.185 0.1 . 1 . . . A 58 VAL CB . 18210 1 645 . 1 1 58 58 VAL CG1 C 13 21.939 0.1 . 1 . . . A 58 VAL CG1 . 18210 1 646 . 1 1 58 58 VAL CG2 C 13 20.114 0.1 . 1 . . . A 58 VAL CG2 . 18210 1 647 . 1 1 58 58 VAL N N 15 125.696 0.1 . 1 . . . A 58 VAL N . 18210 1 648 . 1 1 59 59 GLU HA H 1 4.660 0.03 . 1 . . . A 59 GLU HA . 18210 1 649 . 1 1 59 59 GLU HB2 H 1 2.134 0.03 . 1 . . . A 59 GLU HB2 . 18210 1 650 . 1 1 59 59 GLU HB3 H 1 1.972 0.03 . 1 . . . A 59 GLU HB3 . 18210 1 651 . 1 1 59 59 GLU HG3 H 1 2.236 0.03 . 1 . . . A 59 GLU HG3 . 18210 1 652 . 1 1 59 59 GLU CA C 13 52.599 0.1 . 1 . . . A 59 GLU CA . 18210 1 653 . 1 1 59 59 GLU CB C 13 32.910 0.1 . 1 . . . A 59 GLU CB . 18210 1 654 . 1 1 59 59 GLU CG C 13 35.260 0.1 . 1 . . . A 59 GLU CG . 18210 1 655 . 1 1 60 60 PRO HA H 1 4.700 0.03 . 1 . . . A 60 PRO HA . 18210 1 656 . 1 1 60 60 PRO HB2 H 1 1.792 0.03 . 1 . . . A 60 PRO HB2 . 18210 1 657 . 1 1 60 60 PRO HB3 H 1 2.099 0.03 . 1 . . . A 60 PRO HB3 . 18210 1 658 . 1 1 60 60 PRO HG2 H 1 0.890 0.03 . 1 . . . A 60 PRO HG2 . 18210 1 659 . 1 1 60 60 PRO HG3 H 1 1.099 0.03 . 1 . . . A 60 PRO HG3 . 18210 1 660 . 1 1 60 60 PRO HD2 H 1 3.616 0.03 . 1 . . . A 60 PRO HD2 . 18210 1 661 . 1 1 60 60 PRO HD3 H 1 2.673 0.03 . 1 . . . A 60 PRO HD3 . 18210 1 662 . 1 1 60 60 PRO C C 13 176.708 0.1 . 1 . . . A 60 PRO C . 18210 1 663 . 1 1 60 60 PRO CA C 13 62.731 0.1 . 1 . . . A 60 PRO CA . 18210 1 664 . 1 1 60 60 PRO CB C 13 34.006 0.1 . 1 . . . A 60 PRO CB . 18210 1 665 . 1 1 60 60 PRO CG C 13 25.456 0.1 . 1 . . . A 60 PRO CG . 18210 1 666 . 1 1 60 60 PRO CD C 13 49.568 0.1 . 1 . . . A 60 PRO CD . 18210 1 667 . 1 1 61 61 HIS HA H 1 4.363 0.03 . 1 . . . A 61 HIS HA . 18210 1 668 . 1 1 61 61 HIS HB2 H 1 3.378 0.03 . 1 . . . A 61 HIS HB2 . 18210 1 669 . 1 1 61 61 HIS HB3 H 1 3.378 0.03 . 1 . . . A 61 HIS HB3 . 18210 1 670 . 1 1 61 61 HIS HD2 H 1 7.376 0.03 . 1 . . . A 61 HIS HD2 . 18210 1 671 . 1 1 61 61 HIS HE1 H 1 8.314 0.03 . 1 . . . A 61 HIS HE1 . 18210 1 672 . 1 1 61 61 HIS C C 13 174.320 0.1 . 1 . . . A 61 HIS C . 18210 1 673 . 1 1 61 61 HIS CA C 13 58.473 0.1 . 1 . . . A 61 HIS CA . 18210 1 674 . 1 1 61 61 HIS CB C 13 28.515 0.1 . 1 . . . A 61 HIS CB . 18210 1 675 . 1 1 61 61 HIS CD2 C 13 120.370 0.1 . 1 . . . A 61 HIS CD2 . 18210 1 676 . 1 1 61 61 HIS CE1 C 13 136.400 0.1 . 1 . . . A 61 HIS CE1 . 18210 1 677 . 1 1 62 62 ASP HA H 1 5.043 0.03 . 1 . . . A 62 ASP HA . 18210 1 678 . 1 1 62 62 ASP HB2 H 1 2.298 0.03 . 1 . . . A 62 ASP HB2 . 18210 1 679 . 1 1 62 62 ASP HB3 H 1 2.810 0.03 . 1 . . . A 62 ASP HB3 . 18210 1 680 . 1 1 62 62 ASP CA C 13 51.338 0.1 . 1 . . . A 62 ASP CA . 18210 1 681 . 1 1 62 62 ASP CB C 13 38.510 0.1 . 1 . . . A 62 ASP CB . 18210 1 682 . 1 1 63 63 CYS H H 1 6.446 0.03 . 1 . . . A 63 CYS H . 18210 1 683 . 1 1 63 63 CYS HA H 1 4.223 0.03 . 1 . . . A 63 CYS HA . 18210 1 684 . 1 1 63 63 CYS HB2 H 1 2.197 0.03 . 1 . . . A 63 CYS HB2 . 18210 1 685 . 1 1 63 63 CYS HB3 H 1 2.608 0.03 . 1 . . . A 63 CYS HB3 . 18210 1 686 . 1 1 63 63 CYS C C 13 171.976 0.1 . 1 . . . A 63 CYS C . 18210 1 687 . 1 1 63 63 CYS CA C 13 59.504 0.1 . 1 . . . A 63 CYS CA . 18210 1 688 . 1 1 63 63 CYS CB C 13 41.081 0.1 . 1 . . . A 63 CYS CB . 18210 1 689 . 1 1 63 63 CYS N N 15 120.346 0.1 . 1 . . . A 63 CYS N . 18210 1 690 . 1 1 64 64 PHE H H 1 7.697 0.03 . 1 . . . A 64 PHE H . 18210 1 691 . 1 1 64 64 PHE HA H 1 4.220 0.03 . 1 . . . A 64 PHE HA . 18210 1 692 . 1 1 64 64 PHE HB2 H 1 2.606 0.03 . 1 . . . A 64 PHE HB2 . 18210 1 693 . 1 1 64 64 PHE HB3 H 1 2.197 0.03 . 1 . . . A 64 PHE HB3 . 18210 1 694 . 1 1 64 64 PHE HD1 H 1 6.558 0.03 . 3 . . . A 64 PHE HD1 . 18210 1 695 . 1 1 64 64 PHE HD2 H 1 6.558 0.03 . 3 . . . A 64 PHE HD2 . 18210 1 696 . 1 1 64 64 PHE HE1 H 1 7.280 0.03 . 3 . . . A 64 PHE HE1 . 18210 1 697 . 1 1 64 64 PHE HE2 H 1 7.280 0.03 . 3 . . . A 64 PHE HE2 . 18210 1 698 . 1 1 64 64 PHE HZ H 1 7.050 0.03 . 1 . . . A 64 PHE HZ . 18210 1 699 . 1 1 64 64 PHE C C 13 177.110 0.1 . 1 . . . A 64 PHE C . 18210 1 700 . 1 1 64 64 PHE CA C 13 59.591 0.1 . 1 . . . A 64 PHE CA . 18210 1 701 . 1 1 64 64 PHE CB C 13 41.149 0.1 . 1 . . . A 64 PHE CB . 18210 1 702 . 1 1 64 64 PHE CD1 C 13 132.150 0.1 . 3 . . . A 64 PHE CD1 . 18210 1 703 . 1 1 64 64 PHE CD2 C 13 132.150 0.1 . 3 . . . A 64 PHE CD2 . 18210 1 704 . 1 1 64 64 PHE CE1 C 13 130.600 0.1 . 3 . . . A 64 PHE CE1 . 18210 1 705 . 1 1 64 64 PHE CE2 C 13 130.600 0.1 . 3 . . . A 64 PHE CE2 . 18210 1 706 . 1 1 64 64 PHE CZ C 13 128.800 0.1 . 1 . . . A 64 PHE CZ . 18210 1 707 . 1 1 64 64 PHE N N 15 116.155 0.1 . 1 . . . A 64 PHE N . 18210 1 708 . 1 1 65 65 VAL H H 1 8.449 0.03 . 1 . . . A 65 VAL H . 18210 1 709 . 1 1 65 65 VAL HA H 1 3.965 0.03 . 1 . . . A 65 VAL HA . 18210 1 710 . 1 1 65 65 VAL HB H 1 2.483 0.03 . 1 . . . A 65 VAL HB . 18210 1 711 . 1 1 65 65 VAL HG11 H 1 1.087 0.03 . 1 . . . A 65 VAL HG11 . 18210 1 712 . 1 1 65 65 VAL HG12 H 1 1.087 0.03 . 1 . . . A 65 VAL HG12 . 18210 1 713 . 1 1 65 65 VAL HG13 H 1 1.087 0.03 . 1 . . . A 65 VAL HG13 . 18210 1 714 . 1 1 65 65 VAL HG21 H 1 0.999 0.03 . 1 . . . A 65 VAL HG21 . 18210 1 715 . 1 1 65 65 VAL HG22 H 1 0.999 0.03 . 1 . . . A 65 VAL HG22 . 18210 1 716 . 1 1 65 65 VAL HG23 H 1 0.999 0.03 . 1 . . . A 65 VAL HG23 . 18210 1 717 . 1 1 65 65 VAL C C 13 176.948 0.1 . 1 . . . A 65 VAL C . 18210 1 718 . 1 1 65 65 VAL CA C 13 66.963 0.1 . 1 . . . A 65 VAL CA . 18210 1 719 . 1 1 65 65 VAL CB C 13 31.084 0.1 . 1 . . . A 65 VAL CB . 18210 1 720 . 1 1 65 65 VAL CG1 C 13 22.675 0.1 . 1 . . . A 65 VAL CG1 . 18210 1 721 . 1 1 65 65 VAL CG2 C 13 21.600 0.1 . 1 . . . A 65 VAL CG2 . 18210 1 722 . 1 1 65 65 VAL N N 15 119.794 0.1 . 1 . . . A 65 VAL N . 18210 1 723 . 1 1 66 66 SER H H 1 7.706 0.03 . 1 . . . A 66 SER H . 18210 1 724 . 1 1 66 66 SER HA H 1 5.041 0.03 . 1 . . . A 66 SER HA . 18210 1 725 . 1 1 66 66 SER HB2 H 1 3.698 0.03 . 1 . . . A 66 SER HB2 . 18210 1 726 . 1 1 66 66 SER HB3 H 1 3.532 0.03 . 1 . . . A 66 SER HB3 . 18210 1 727 . 1 1 66 66 SER C C 13 173.905 0.1 . 1 . . . A 66 SER C . 18210 1 728 . 1 1 66 66 SER CA C 13 56.701 0.1 . 1 . . . A 66 SER CA . 18210 1 729 . 1 1 66 66 SER CB C 13 65.738 0.1 . 1 . . . A 66 SER CB . 18210 1 730 . 1 1 66 66 SER N N 15 113.648 0.1 . 1 . . . A 66 SER N . 18210 1 731 . 1 1 67 67 ALA H H 1 9.280 0.03 . 1 . . . A 67 ALA H . 18210 1 732 . 1 1 67 67 ALA HA H 1 4.044 0.03 . 1 . . . A 67 ALA HA . 18210 1 733 . 1 1 67 67 ALA HB1 H 1 1.321 0.03 . 1 . . . A 67 ALA HB1 . 18210 1 734 . 1 1 67 67 ALA HB2 H 1 1.321 0.03 . 1 . . . A 67 ALA HB2 . 18210 1 735 . 1 1 67 67 ALA HB3 H 1 1.321 0.03 . 1 . . . A 67 ALA HB3 . 18210 1 736 . 1 1 67 67 ALA C C 13 175.316 0.1 . 1 . . . A 67 ALA C . 18210 1 737 . 1 1 67 67 ALA CA C 13 52.122 0.1 . 1 . . . A 67 ALA CA . 18210 1 738 . 1 1 67 67 ALA CB C 13 23.827 0.1 . 1 . . . A 67 ALA CB . 18210 1 739 . 1 1 67 67 ALA N N 15 115.370 0.1 . 1 . . . A 67 ALA N . 18210 1 740 . 1 1 68 68 PHE H H 1 8.520 0.03 . 1 . . . A 68 PHE H . 18210 1 741 . 1 1 68 68 PHE HA H 1 4.999 0.03 . 1 . . . A 68 PHE HA . 18210 1 742 . 1 1 68 68 PHE HB2 H 1 1.187 0.03 . 1 . . . A 68 PHE HB2 . 18210 1 743 . 1 1 68 68 PHE HB3 H 1 2.241 0.03 . 1 . . . A 68 PHE HB3 . 18210 1 744 . 1 1 68 68 PHE HD1 H 1 6.744 0.03 . 3 . . . A 68 PHE HD1 . 18210 1 745 . 1 1 68 68 PHE HD2 H 1 6.744 0.03 . 3 . . . A 68 PHE HD2 . 18210 1 746 . 1 1 68 68 PHE HE1 H 1 7.133 0.03 . 3 . . . A 68 PHE HE1 . 18210 1 747 . 1 1 68 68 PHE HE2 H 1 7.133 0.03 . 3 . . . A 68 PHE HE2 . 18210 1 748 . 1 1 68 68 PHE HZ H 1 7.185 0.03 . 1 . . . A 68 PHE HZ . 18210 1 749 . 1 1 68 68 PHE C C 13 176.533 0.1 . 1 . . . A 68 PHE C . 18210 1 750 . 1 1 68 68 PHE CA C 13 57.538 0.1 . 1 . . . A 68 PHE CA . 18210 1 751 . 1 1 68 68 PHE CB C 13 38.964 0.1 . 1 . . . A 68 PHE CB . 18210 1 752 . 1 1 68 68 PHE CD1 C 13 131.710 0.1 . 3 . . . A 68 PHE CD1 . 18210 1 753 . 1 1 68 68 PHE CD2 C 13 131.710 0.1 . 3 . . . A 68 PHE CD2 . 18210 1 754 . 1 1 68 68 PHE CE1 C 13 131.230 0.1 . 3 . . . A 68 PHE CE1 . 18210 1 755 . 1 1 68 68 PHE CE2 C 13 131.230 0.1 . 3 . . . A 68 PHE CE2 . 18210 1 756 . 1 1 68 68 PHE CZ C 13 129.210 0.1 . 1 . . . A 68 PHE CZ . 18210 1 757 . 1 1 68 68 PHE N N 15 116.820 0.1 . 1 . . . A 68 PHE N . 18210 1 758 . 1 1 69 69 ASN H H 1 8.498 0.03 . 1 . . . A 69 ASN H . 18210 1 759 . 1 1 69 69 ASN HA H 1 5.042 0.03 . 1 . . . A 69 ASN HA . 18210 1 760 . 1 1 69 69 ASN HB2 H 1 3.630 0.03 . 1 . . . A 69 ASN HB2 . 18210 1 761 . 1 1 69 69 ASN HB3 H 1 3.036 0.03 . 1 . . . A 69 ASN HB3 . 18210 1 762 . 1 1 69 69 ASN HD21 H 1 7.893 0.03 . 1 . . . A 69 ASN HD21 . 18210 1 763 . 1 1 69 69 ASN HD22 H 1 6.870 0.03 . 1 . . . A 69 ASN HD22 . 18210 1 764 . 1 1 69 69 ASN C C 13 176.820 0.1 . 1 . . . A 69 ASN C . 18210 1 765 . 1 1 69 69 ASN CA C 13 51.036 0.1 . 1 . . . A 69 ASN CA . 18210 1 766 . 1 1 69 69 ASN CB C 13 39.494 0.1 . 1 . . . A 69 ASN CB . 18210 1 767 . 1 1 69 69 ASN N N 15 118.203 0.1 . 1 . . . A 69 ASN N . 18210 1 768 . 1 1 69 69 ASN ND2 N 15 112.250 0.1 . 1 . . . A 69 ASN ND2 . 18210 1 769 . 1 1 70 70 LEU H H 1 8.514 0.03 . 1 . . . A 70 LEU H . 18210 1 770 . 1 1 70 70 LEU HA H 1 4.279 0.03 . 1 . . . A 70 LEU HA . 18210 1 771 . 1 1 70 70 LEU HB3 H 1 1.765 0.03 . 1 . . . A 70 LEU HB3 . 18210 1 772 . 1 1 70 70 LEU HG H 1 1.812 0.03 . 1 . . . A 70 LEU HG . 18210 1 773 . 1 1 70 70 LEU HD11 H 1 0.945 0.03 . 1 . . . A 70 LEU HD11 . 18210 1 774 . 1 1 70 70 LEU HD12 H 1 0.945 0.03 . 1 . . . A 70 LEU HD12 . 18210 1 775 . 1 1 70 70 LEU HD13 H 1 0.945 0.03 . 1 . . . A 70 LEU HD13 . 18210 1 776 . 1 1 70 70 LEU HD21 H 1 0.909 0.03 . 1 . . . A 70 LEU HD21 . 18210 1 777 . 1 1 70 70 LEU HD22 H 1 0.909 0.03 . 1 . . . A 70 LEU HD22 . 18210 1 778 . 1 1 70 70 LEU HD23 H 1 0.909 0.03 . 1 . . . A 70 LEU HD23 . 18210 1 779 . 1 1 70 70 LEU C C 13 178.484 0.1 . 1 . . . A 70 LEU C . 18210 1 780 . 1 1 70 70 LEU CA C 13 57.764 0.1 . 1 . . . A 70 LEU CA . 18210 1 781 . 1 1 70 70 LEU CB C 13 41.638 0.1 . 1 . . . A 70 LEU CB . 18210 1 782 . 1 1 70 70 LEU CG C 13 27.450 0.1 . 1 . . . A 70 LEU CG . 18210 1 783 . 1 1 70 70 LEU CD1 C 13 25.003 0.1 . 1 . . . A 70 LEU CD1 . 18210 1 784 . 1 1 70 70 LEU CD2 C 13 23.842 0.1 . 1 . . . A 70 LEU CD2 . 18210 1 785 . 1 1 70 70 LEU N N 15 118.189 0.1 . 1 . . . A 70 LEU N . 18210 1 786 . 1 1 71 71 SER H H 1 8.049 0.03 . 1 . . . A 71 SER H . 18210 1 787 . 1 1 71 71 SER HA H 1 4.572 0.03 . 1 . . . A 71 SER HA . 18210 1 788 . 1 1 71 71 SER HB3 H 1 4.001 0.03 . 1 . . . A 71 SER HB3 . 18210 1 789 . 1 1 71 71 SER C C 13 174.682 0.1 . 1 . . . A 71 SER C . 18210 1 790 . 1 1 71 71 SER CA C 13 58.758 0.1 . 1 . . . A 71 SER CA . 18210 1 791 . 1 1 71 71 SER CB C 13 63.762 0.1 . 1 . . . A 71 SER CB . 18210 1 792 . 1 1 71 71 SER N N 15 113.939 0.1 . 1 . . . A 71 SER N . 18210 1 793 . 1 1 72 72 GLY H H 1 8.641 0.03 . 1 . . . A 72 GLY H . 18210 1 794 . 1 1 72 72 GLY HA2 H 1 3.570 0.03 . 1 . . . A 72 GLY HA2 . 18210 1 795 . 1 1 72 72 GLY HA3 H 1 4.200 0.03 . 1 . . . A 72 GLY HA3 . 18210 1 796 . 1 1 72 72 GLY C C 13 173.549 0.1 . 1 . . . A 72 GLY C . 18210 1 797 . 1 1 72 72 GLY CA C 13 45.638 0.1 . 1 . . . A 72 GLY CA . 18210 1 798 . 1 1 72 72 GLY N N 15 109.936 0.1 . 1 . . . A 72 GLY N . 18210 1 799 . 1 1 73 73 LYS H H 1 7.738 0.03 . 1 . . . A 73 LYS H . 18210 1 800 . 1 1 73 73 LYS HA H 1 4.553 0.03 . 1 . . . A 73 LYS HA . 18210 1 801 . 1 1 73 73 LYS HB2 H 1 1.717 0.03 . 1 . . . A 73 LYS HB2 . 18210 1 802 . 1 1 73 73 LYS HB3 H 1 1.868 0.03 . 1 . . . A 73 LYS HB3 . 18210 1 803 . 1 1 73 73 LYS HG3 H 1 1.672 0.03 . 1 . . . A 73 LYS HG3 . 18210 1 804 . 1 1 73 73 LYS HD2 H 1 1.355 0.03 . 1 . . . A 73 LYS HD2 . 18210 1 805 . 1 1 73 73 LYS HD3 H 1 1.449 0.03 . 1 . . . A 73 LYS HD3 . 18210 1 806 . 1 1 73 73 LYS HE3 H 1 3.017 0.03 . 1 . . . A 73 LYS HE3 . 18210 1 807 . 1 1 73 73 LYS C C 13 175.750 0.1 . 1 . . . A 73 LYS C . 18210 1 808 . 1 1 73 73 LYS CA C 13 54.658 0.1 . 1 . . . A 73 LYS CA . 18210 1 809 . 1 1 73 73 LYS CB C 13 33.741 0.1 . 1 . . . A 73 LYS CB . 18210 1 810 . 1 1 73 73 LYS CG C 13 24.852 0.1 . 1 . . . A 73 LYS CG . 18210 1 811 . 1 1 73 73 LYS CD C 13 28.680 0.1 . 1 . . . A 73 LYS CD . 18210 1 812 . 1 1 73 73 LYS CE C 13 42.447 0.1 . 1 . . . A 73 LYS CE . 18210 1 813 . 1 1 73 73 LYS N N 15 119.884 0.1 . 1 . . . A 73 LYS N . 18210 1 814 . 1 1 74 74 ASN HA H 1 4.520 0.03 . 1 . . . A 74 ASN HA . 18210 1 815 . 1 1 74 74 ASN HB2 H 1 2.491 0.03 . 1 . . . A 74 ASN HB2 . 18210 1 816 . 1 1 74 74 ASN HB3 H 1 2.629 0.03 . 1 . . . A 74 ASN HB3 . 18210 1 817 . 1 1 74 74 ASN HD21 H 1 7.007 0.03 . 1 . . . A 74 ASN HD21 . 18210 1 818 . 1 1 74 74 ASN HD22 H 1 6.738 0.03 . 1 . . . A 74 ASN HD22 . 18210 1 819 . 1 1 74 74 ASN C C 13 174.680 0.1 . 1 . . . A 74 ASN C . 18210 1 820 . 1 1 74 74 ASN CA C 13 54.232 0.1 . 1 . . . A 74 ASN CA . 18210 1 821 . 1 1 74 74 ASN CB C 13 39.327 0.1 . 1 . . . A 74 ASN CB . 18210 1 822 . 1 1 74 74 ASN ND2 N 15 109.880 0.1 . 1 . . . A 74 ASN ND2 . 18210 1 823 . 1 1 75 75 GLU H H 1 8.835 0.03 . 1 . . . A 75 GLU H . 18210 1 824 . 1 1 75 75 GLU HA H 1 4.598 0.03 . 1 . . . A 75 GLU HA . 18210 1 825 . 1 1 75 75 GLU HB3 H 1 1.901 0.03 . 1 . . . A 75 GLU HB3 . 18210 1 826 . 1 1 75 75 GLU HG3 H 1 2.202 0.03 . 1 . . . A 75 GLU HG3 . 18210 1 827 . 1 1 75 75 GLU C C 13 174.547 0.1 . 1 . . . A 75 GLU C . 18210 1 828 . 1 1 75 75 GLU CA C 13 54.887 0.1 . 1 . . . A 75 GLU CA . 18210 1 829 . 1 1 75 75 GLU CB C 13 32.908 0.1 . 1 . . . A 75 GLU CB . 18210 1 830 . 1 1 75 75 GLU CG C 13 35.318 0.1 . 1 . . . A 75 GLU CG . 18210 1 831 . 1 1 75 75 GLU N N 15 124.834 0.1 . 1 . . . A 75 GLU N . 18210 1 832 . 1 1 76 76 ASN H H 1 8.580 0.03 . 1 . . . A 76 ASN H . 18210 1 833 . 1 1 76 76 ASN HA H 1 4.675 0.03 . 1 . . . A 76 ASN HA . 18210 1 834 . 1 1 76 76 ASN HB3 H 1 2.755 0.03 . 1 . . . A 76 ASN HB3 . 18210 1 835 . 1 1 76 76 ASN HD21 H 1 7.033 0.03 . 1 . . . A 76 ASN HD21 . 18210 1 836 . 1 1 76 76 ASN HD22 H 1 7.550 0.03 . 1 . . . A 76 ASN HD22 . 18210 1 837 . 1 1 76 76 ASN C C 13 175.670 0.1 . 1 . . . A 76 ASN C . 18210 1 838 . 1 1 76 76 ASN CA C 13 54.120 0.1 . 1 . . . A 76 ASN CA . 18210 1 839 . 1 1 76 76 ASN CB C 13 39.042 0.1 . 1 . . . A 76 ASN CB . 18210 1 840 . 1 1 76 76 ASN N N 15 121.549 0.1 . 1 . . . A 76 ASN N . 18210 1 841 . 1 1 76 76 ASN ND2 N 15 112.411 0.1 . 1 . . . A 76 ASN ND2 . 18210 1 842 . 1 1 77 77 LEU H H 1 8.610 0.03 . 1 . . . A 77 LEU H . 18210 1 843 . 1 1 77 77 LEU HA H 1 4.107 0.03 . 1 . . . A 77 LEU HA . 18210 1 844 . 1 1 77 77 LEU HB2 H 1 1.321 0.03 . 1 . . . A 77 LEU HB2 . 18210 1 845 . 1 1 77 77 LEU HB3 H 1 1.398 0.03 . 1 . . . A 77 LEU HB3 . 18210 1 846 . 1 1 77 77 LEU HG H 1 1.164 0.03 . 1 . . . A 77 LEU HG . 18210 1 847 . 1 1 77 77 LEU HD11 H 1 0.172 0.03 . 1 . . . A 77 LEU HD11 . 18210 1 848 . 1 1 77 77 LEU HD12 H 1 0.172 0.03 . 1 . . . A 77 LEU HD12 . 18210 1 849 . 1 1 77 77 LEU HD13 H 1 0.172 0.03 . 1 . . . A 77 LEU HD13 . 18210 1 850 . 1 1 77 77 LEU HD21 H 1 0.136 0.03 . 1 . . . A 77 LEU HD21 . 18210 1 851 . 1 1 77 77 LEU HD22 H 1 0.136 0.03 . 1 . . . A 77 LEU HD22 . 18210 1 852 . 1 1 77 77 LEU HD23 H 1 0.136 0.03 . 1 . . . A 77 LEU HD23 . 18210 1 853 . 1 1 77 77 LEU C C 13 178.104 0.1 . 1 . . . A 77 LEU C . 18210 1 854 . 1 1 77 77 LEU CA C 13 55.991 0.1 . 1 . . . A 77 LEU CA . 18210 1 855 . 1 1 77 77 LEU CB C 13 42.384 0.1 . 1 . . . A 77 LEU CB . 18210 1 856 . 1 1 77 77 LEU CG C 13 26.263 0.1 . 1 . . . A 77 LEU CG . 18210 1 857 . 1 1 77 77 LEU CD1 C 13 22.675 0.1 . 1 . . . A 77 LEU CD1 . 18210 1 858 . 1 1 77 77 LEU CD2 C 13 24.212 0.1 . 1 . . . A 77 LEU CD2 . 18210 1 859 . 1 1 77 77 LEU N N 15 125.808 0.1 . 1 . . . A 77 LEU N . 18210 1 860 . 1 1 78 78 GLU HA H 1 4.016 0.03 . 1 . . . A 78 GLU HA . 18210 1 861 . 1 1 78 78 GLU HB2 H 1 2.097 0.03 . 1 . . . A 78 GLU HB2 . 18210 1 862 . 1 1 78 78 GLU HB3 H 1 2.184 0.03 . 1 . . . A 78 GLU HB3 . 18210 1 863 . 1 1 78 78 GLU HG3 H 1 2.281 0.03 . 1 . . . A 78 GLU HG3 . 18210 1 864 . 1 1 78 78 GLU C C 13 176.833 0.1 . 1 . . . A 78 GLU C . 18210 1 865 . 1 1 78 78 GLU CA C 13 59.650 0.1 . 1 . . . A 78 GLU CA . 18210 1 866 . 1 1 78 78 GLU CB C 13 29.684 0.1 . 1 . . . A 78 GLU CB . 18210 1 867 . 1 1 78 78 GLU CG C 13 35.603 0.1 . 1 . . . A 78 GLU CG . 18210 1 868 . 1 1 79 79 ASN H H 1 8.257 0.03 . 1 . . . A 79 ASN H . 18210 1 869 . 1 1 79 79 ASN HA H 1 4.564 0.03 . 1 . . . A 79 ASN HA . 18210 1 870 . 1 1 79 79 ASN HB3 H 1 2.785 0.03 . 1 . . . A 79 ASN HB3 . 18210 1 871 . 1 1 79 79 ASN C C 13 175.510 0.1 . 1 . . . A 79 ASN C . 18210 1 872 . 1 1 79 79 ASN CA C 13 54.392 0.1 . 1 . . . A 79 ASN CA . 18210 1 873 . 1 1 79 79 ASN CB C 13 38.718 0.1 . 1 . . . A 79 ASN CB . 18210 1 874 . 1 1 79 79 ASN N N 15 114.719 0.1 . 1 . . . A 79 ASN N . 18210 1 875 . 1 1 80 80 LYS H H 1 7.818 0.03 . 1 . . . A 80 LYS H . 18210 1 876 . 1 1 80 80 LYS HA H 1 4.293 0.03 . 1 . . . A 80 LYS HA . 18210 1 877 . 1 1 80 80 LYS HB3 H 1 1.655 0.03 . 1 . . . A 80 LYS HB3 . 18210 1 878 . 1 1 80 80 LYS HG3 H 1 1.630 0.03 . 1 . . . A 80 LYS HG3 . 18210 1 879 . 1 1 80 80 LYS HD2 H 1 1.380 0.03 . 1 . . . A 80 LYS HD2 . 18210 1 880 . 1 1 80 80 LYS HD3 H 1 1.290 0.03 . 1 . . . A 80 LYS HD3 . 18210 1 881 . 1 1 80 80 LYS HE3 H 1 2.960 0.03 . 1 . . . A 80 LYS HE3 . 18210 1 882 . 1 1 80 80 LYS C C 13 175.748 0.1 . 1 . . . A 80 LYS C . 18210 1 883 . 1 1 80 80 LYS CA C 13 57.765 0.1 . 1 . . . A 80 LYS CA . 18210 1 884 . 1 1 80 80 LYS CB C 13 34.345 0.1 . 1 . . . A 80 LYS CB . 18210 1 885 . 1 1 80 80 LYS CG C 13 24.761 0.1 . 1 . . . A 80 LYS CG . 18210 1 886 . 1 1 80 80 LYS CD C 13 28.927 0.1 . 1 . . . A 80 LYS CD . 18210 1 887 . 1 1 80 80 LYS CE C 13 42.086 0.1 . 1 . . . A 80 LYS CE . 18210 1 888 . 1 1 80 80 LYS N N 15 118.906 0.1 . 1 . . . A 80 LYS N . 18210 1 889 . 1 1 81 81 LEU HA H 1 4.150 0.03 . 1 . . . A 81 LEU HA . 18210 1 890 . 1 1 81 81 LEU HB2 H 1 0.826 0.03 . 1 . . . A 81 LEU HB2 . 18210 1 891 . 1 1 81 81 LEU HB3 H 1 1.199 0.03 . 1 . . . A 81 LEU HB3 . 18210 1 892 . 1 1 81 81 LEU HD11 H 1 0.224 0.03 . 1 . . . A 81 LEU HD11 . 18210 1 893 . 1 1 81 81 LEU HD12 H 1 0.224 0.03 . 1 . . . A 81 LEU HD12 . 18210 1 894 . 1 1 81 81 LEU HD13 H 1 0.224 0.03 . 1 . . . A 81 LEU HD13 . 18210 1 895 . 1 1 81 81 LEU HD21 H 1 0.189 0.03 . 1 . . . A 81 LEU HD21 . 18210 1 896 . 1 1 81 81 LEU HD22 H 1 0.189 0.03 . 1 . . . A 81 LEU HD22 . 18210 1 897 . 1 1 81 81 LEU HD23 H 1 0.189 0.03 . 1 . . . A 81 LEU HD23 . 18210 1 898 . 1 1 81 81 LEU C C 13 174.688 0.1 . 1 . . . A 81 LEU C . 18210 1 899 . 1 1 81 81 LEU CA C 13 54.522 0.1 . 1 . . . A 81 LEU CA . 18210 1 900 . 1 1 81 81 LEU CB C 13 43.063 0.1 . 1 . . . A 81 LEU CB . 18210 1 901 . 1 1 81 81 LEU CD1 C 13 24.000 0.1 . 1 . . . A 81 LEU CD1 . 18210 1 902 . 1 1 81 81 LEU CD2 C 13 24.300 0.1 . 1 . . . A 81 LEU CD2 . 18210 1 903 . 1 1 82 82 LYS HA H 1 4.169 0.03 . 1 . . . A 82 LYS HA . 18210 1 904 . 1 1 82 82 LYS HB3 H 1 1.837 0.03 . 1 . . . A 82 LYS HB3 . 18210 1 905 . 1 1 82 82 LYS HG3 H 1 1.682 0.03 . 1 . . . A 82 LYS HG3 . 18210 1 906 . 1 1 82 82 LYS HD3 H 1 1.320 0.03 . 1 . . . A 82 LYS HD3 . 18210 1 907 . 1 1 82 82 LYS HE3 H 1 3.005 0.03 . 1 . . . A 82 LYS HE3 . 18210 1 908 . 1 1 82 82 LYS C C 13 175.701 0.1 . 1 . . . A 82 LYS C . 18210 1 909 . 1 1 82 82 LYS CA C 13 56.168 0.1 . 1 . . . A 82 LYS CA . 18210 1 910 . 1 1 82 82 LYS CB C 13 30.017 0.1 . 1 . . . A 82 LYS CB . 18210 1 911 . 1 1 82 82 LYS CG C 13 24.766 0.1 . 1 . . . A 82 LYS CG . 18210 1 912 . 1 1 82 82 LYS CD C 13 28.879 0.1 . 1 . . . A 82 LYS CD . 18210 1 913 . 1 1 82 82 LYS CE C 13 42.515 0.1 . 1 . . . A 82 LYS CE . 18210 1 914 . 1 1 83 83 LEU H H 1 7.485 0.03 . 1 . . . A 83 LEU H . 18210 1 915 . 1 1 83 83 LEU HA H 1 4.420 0.03 . 1 . . . A 83 LEU HA . 18210 1 916 . 1 1 83 83 LEU HB2 H 1 1.296 0.03 . 1 . . . A 83 LEU HB2 . 18210 1 917 . 1 1 83 83 LEU HB3 H 1 1.667 0.03 . 1 . . . A 83 LEU HB3 . 18210 1 918 . 1 1 83 83 LEU HG H 1 1.486 0.03 . 1 . . . A 83 LEU HG . 18210 1 919 . 1 1 83 83 LEU HD11 H 1 0.785 0.03 . 1 . . . A 83 LEU HD11 . 18210 1 920 . 1 1 83 83 LEU HD12 H 1 0.785 0.03 . 1 . . . A 83 LEU HD12 . 18210 1 921 . 1 1 83 83 LEU HD13 H 1 0.785 0.03 . 1 . . . A 83 LEU HD13 . 18210 1 922 . 1 1 83 83 LEU HD21 H 1 0.870 0.03 . 1 . . . A 83 LEU HD21 . 18210 1 923 . 1 1 83 83 LEU HD22 H 1 0.870 0.03 . 1 . . . A 83 LEU HD22 . 18210 1 924 . 1 1 83 83 LEU HD23 H 1 0.870 0.03 . 1 . . . A 83 LEU HD23 . 18210 1 925 . 1 1 83 83 LEU C C 13 177.184 0.1 . 1 . . . A 83 LEU C . 18210 1 926 . 1 1 83 83 LEU CA C 13 55.219 0.1 . 1 . . . A 83 LEU CA . 18210 1 927 . 1 1 83 83 LEU CB C 13 42.311 0.1 . 1 . . . A 83 LEU CB . 18210 1 928 . 1 1 83 83 LEU CG C 13 27.280 0.1 . 1 . . . A 83 LEU CG . 18210 1 929 . 1 1 83 83 LEU CD1 C 13 24.060 0.1 . 1 . . . A 83 LEU CD1 . 18210 1 930 . 1 1 83 83 LEU CD2 C 13 25.480 0.1 . 1 . . . A 83 LEU CD2 . 18210 1 931 . 1 1 83 83 LEU N N 15 120.762 0.1 . 1 . . . A 83 LEU N . 18210 1 932 . 1 1 84 84 THR H H 1 8.519 0.03 . 1 . . . A 84 THR H . 18210 1 933 . 1 1 84 84 THR HA H 1 4.712 0.03 . 1 . . . A 84 THR HA . 18210 1 934 . 1 1 84 84 THR HB H 1 4.251 0.03 . 1 . . . A 84 THR HB . 18210 1 935 . 1 1 84 84 THR HG21 H 1 1.136 0.03 . 1 . . . A 84 THR HG21 . 18210 1 936 . 1 1 84 84 THR HG22 H 1 1.136 0.03 . 1 . . . A 84 THR HG22 . 18210 1 937 . 1 1 84 84 THR HG23 H 1 1.136 0.03 . 1 . . . A 84 THR HG23 . 18210 1 938 . 1 1 84 84 THR C C 13 173.001 0.1 . 1 . . . A 84 THR C . 18210 1 939 . 1 1 84 84 THR CA C 13 59.883 0.1 . 1 . . . A 84 THR CA . 18210 1 940 . 1 1 84 84 THR CB C 13 71.825 0.1 . 1 . . . A 84 THR CB . 18210 1 941 . 1 1 84 84 THR CG2 C 13 21.093 0.1 . 1 . . . A 84 THR CG2 . 18210 1 942 . 1 1 84 84 THR N N 15 110.955 0.1 . 1 . . . A 84 THR N . 18210 1 943 . 1 1 85 85 ASN H H 1 8.850 0.03 . 1 . . . A 85 ASN H . 18210 1 944 . 1 1 85 85 ASN HA H 1 4.146 0.03 . 1 . . . A 85 ASN HA . 18210 1 945 . 1 1 85 85 ASN HB2 H 1 2.456 0.03 . 1 . . . A 85 ASN HB2 . 18210 1 946 . 1 1 85 85 ASN HB3 H 1 2.984 0.03 . 1 . . . A 85 ASN HB3 . 18210 1 947 . 1 1 85 85 ASN HD21 H 1 7.400 0.03 . 1 . . . A 85 ASN HD21 . 18210 1 948 . 1 1 85 85 ASN HD22 H 1 6.919 0.03 . 1 . . . A 85 ASN HD22 . 18210 1 949 . 1 1 85 85 ASN C C 13 173.572 0.1 . 1 . . . A 85 ASN C . 18210 1 950 . 1 1 85 85 ASN CA C 13 54.319 0.1 . 1 . . . A 85 ASN CA . 18210 1 951 . 1 1 85 85 ASN CB C 13 38.908 0.1 . 1 . . . A 85 ASN CB . 18210 1 952 . 1 1 85 85 ASN N N 15 117.589 0.1 . 1 . . . A 85 ASN N . 18210 1 953 . 1 1 85 85 ASN ND2 N 15 111.340 0.1 . 1 . . . A 85 ASN ND2 . 18210 1 954 . 1 1 86 86 ILE HA H 1 4.292 0.03 . 1 . . . A 86 ILE HA . 18210 1 955 . 1 1 86 86 ILE HB H 1 1.680 0.03 . 1 . . . A 86 ILE HB . 18210 1 956 . 1 1 86 86 ILE HG12 H 1 0.693 0.03 . 1 . . . A 86 ILE HG12 . 18210 1 957 . 1 1 86 86 ILE HG13 H 1 1.325 0.03 . 1 . . . A 86 ILE HG13 . 18210 1 958 . 1 1 86 86 ILE HG21 H 1 1.032 0.03 . 1 . . . A 86 ILE HG21 . 18210 1 959 . 1 1 86 86 ILE HG22 H 1 1.032 0.03 . 1 . . . A 86 ILE HG22 . 18210 1 960 . 1 1 86 86 ILE HG23 H 1 1.032 0.03 . 1 . . . A 86 ILE HG23 . 18210 1 961 . 1 1 86 86 ILE HD11 H 1 0.754 0.03 . 1 . . . A 86 ILE HD11 . 18210 1 962 . 1 1 86 86 ILE HD12 H 1 0.754 0.03 . 1 . . . A 86 ILE HD12 . 18210 1 963 . 1 1 86 86 ILE HD13 H 1 0.754 0.03 . 1 . . . A 86 ILE HD13 . 18210 1 964 . 1 1 86 86 ILE C C 13 177.346 0.1 . 1 . . . A 86 ILE C . 18210 1 965 . 1 1 86 86 ILE CA C 13 62.807 0.1 . 1 . . . A 86 ILE CA . 18210 1 966 . 1 1 86 86 ILE CB C 13 38.699 0.1 . 1 . . . A 86 ILE CB . 18210 1 967 . 1 1 86 86 ILE CG1 C 13 28.520 0.1 . 1 . . . A 86 ILE CG1 . 18210 1 968 . 1 1 86 86 ILE CG2 C 13 18.316 0.1 . 1 . . . A 86 ILE CG2 . 18210 1 969 . 1 1 86 86 ILE CD1 C 13 14.160 0.1 . 1 . . . A 86 ILE CD1 . 18210 1 970 . 1 1 87 87 ILE H H 1 9.166 0.03 . 1 . . . A 87 ILE H . 18210 1 971 . 1 1 87 87 ILE HA H 1 4.255 0.03 . 1 . . . A 87 ILE HA . 18210 1 972 . 1 1 87 87 ILE HB H 1 1.907 0.03 . 1 . . . A 87 ILE HB . 18210 1 973 . 1 1 87 87 ILE HG12 H 1 1.065 0.03 . 1 . . . A 87 ILE HG12 . 18210 1 974 . 1 1 87 87 ILE HG13 H 1 1.450 0.03 . 1 . . . A 87 ILE HG13 . 18210 1 975 . 1 1 87 87 ILE HG21 H 1 0.886 0.03 . 1 . . . A 87 ILE HG21 . 18210 1 976 . 1 1 87 87 ILE HG22 H 1 0.886 0.03 . 1 . . . A 87 ILE HG22 . 18210 1 977 . 1 1 87 87 ILE HG23 H 1 0.886 0.03 . 1 . . . A 87 ILE HG23 . 18210 1 978 . 1 1 87 87 ILE HD11 H 1 0.684 0.03 . 1 . . . A 87 ILE HD11 . 18210 1 979 . 1 1 87 87 ILE HD12 H 1 0.684 0.03 . 1 . . . A 87 ILE HD12 . 18210 1 980 . 1 1 87 87 ILE HD13 H 1 0.684 0.03 . 1 . . . A 87 ILE HD13 . 18210 1 981 . 1 1 87 87 ILE C C 13 174.493 0.1 . 1 . . . A 87 ILE C . 18210 1 982 . 1 1 87 87 ILE CA C 13 60.152 0.1 . 1 . . . A 87 ILE CA . 18210 1 983 . 1 1 87 87 ILE CB C 13 41.110 0.1 . 1 . . . A 87 ILE CB . 18210 1 984 . 1 1 87 87 ILE CG1 C 13 26.613 0.1 . 1 . . . A 87 ILE CG1 . 18210 1 985 . 1 1 87 87 ILE CG2 C 13 16.634 0.1 . 1 . . . A 87 ILE CG2 . 18210 1 986 . 1 1 87 87 ILE CD1 C 13 12.244 0.1 . 1 . . . A 87 ILE CD1 . 18210 1 987 . 1 1 87 87 ILE N N 15 131.807 0.1 . 1 . . . A 87 ILE N . 18210 1 988 . 1 1 88 88 MET HA H 1 4.017 0.03 . 1 . . . A 88 MET HA . 18210 1 989 . 1 1 88 88 MET HB2 H 1 1.231 0.03 . 1 . . . A 88 MET HB2 . 18210 1 990 . 1 1 88 88 MET HB3 H 1 1.998 0.03 . 1 . . . A 88 MET HB3 . 18210 1 991 . 1 1 88 88 MET HG2 H 1 2.358 0.03 . 1 . . . A 88 MET HG2 . 18210 1 992 . 1 1 88 88 MET HG3 H 1 2.692 0.03 . 1 . . . A 88 MET HG3 . 18210 1 993 . 1 1 88 88 MET HE1 H 1 2.082 0.03 . 1 . . . A 88 MET HE1 . 18210 1 994 . 1 1 88 88 MET HE2 H 1 2.082 0.03 . 1 . . . A 88 MET HE2 . 18210 1 995 . 1 1 88 88 MET HE3 H 1 2.082 0.03 . 1 . . . A 88 MET HE3 . 18210 1 996 . 1 1 88 88 MET C C 13 173.613 0.1 . 1 . . . A 88 MET C . 18210 1 997 . 1 1 88 88 MET CA C 13 53.287 0.1 . 1 . . . A 88 MET CA . 18210 1 998 . 1 1 88 88 MET CB C 13 33.478 0.1 . 1 . . . A 88 MET CB . 18210 1 999 . 1 1 88 88 MET CG C 13 30.968 0.1 . 1 . . . A 88 MET CG . 18210 1 1000 . 1 1 88 88 MET CE C 13 17.362 0.1 . 1 . . . A 88 MET CE . 18210 1 1001 . 1 1 89 89 ASP HA H 1 4.697 0.03 . 1 . . . A 89 ASP HA . 18210 1 1002 . 1 1 89 89 ASP HB2 H 1 2.335 0.03 . 1 . . . A 89 ASP HB2 . 18210 1 1003 . 1 1 89 89 ASP HB3 H 1 2.335 0.03 . 1 . . . A 89 ASP HB3 . 18210 1 1004 . 1 1 89 89 ASP C C 13 176.750 0.1 . 1 . . . A 89 ASP C . 18210 1 1005 . 1 1 89 89 ASP CA C 13 52.101 0.1 . 1 . . . A 89 ASP CA . 18210 1 1006 . 1 1 89 89 ASP CB C 13 40.191 0.1 . 1 . . . A 89 ASP CB . 18210 1 1007 . 1 1 90 90 HIS HA H 1 4.441 0.03 . 1 . . . A 90 HIS HA . 18210 1 1008 . 1 1 90 90 HIS HB2 H 1 3.094 0.03 . 1 . . . A 90 HIS HB2 . 18210 1 1009 . 1 1 90 90 HIS HB3 H 1 3.094 0.03 . 1 . . . A 90 HIS HB3 . 18210 1 1010 . 1 1 90 90 HIS HD2 H 1 7.421 0.03 . 1 . . . A 90 HIS HD2 . 18210 1 1011 . 1 1 90 90 HIS HE1 H 1 8.655 0.03 . 1 . . . A 90 HIS HE1 . 18210 1 1012 . 1 1 90 90 HIS C C 13 175.625 0.1 . 1 . . . A 90 HIS C . 18210 1 1013 . 1 1 90 90 HIS CA C 13 58.254 0.1 . 1 . . . A 90 HIS CA . 18210 1 1014 . 1 1 90 90 HIS CB C 13 28.579 0.1 . 1 . . . A 90 HIS CB . 18210 1 1015 . 1 1 90 90 HIS CD2 C 13 120.160 0.1 . 1 . . . A 90 HIS CD2 . 18210 1 1016 . 1 1 90 90 HIS CE1 C 13 137.230 0.1 . 1 . . . A 90 HIS CE1 . 18210 1 1017 . 1 1 91 91 TYR HA H 1 4.440 0.03 . 1 . . . A 91 TYR HA . 18210 1 1018 . 1 1 91 91 TYR HB2 H 1 3.169 0.03 . 1 . . . A 91 TYR HB2 . 18210 1 1019 . 1 1 91 91 TYR HB3 H 1 3.119 0.03 . 1 . . . A 91 TYR HB3 . 18210 1 1020 . 1 1 91 91 TYR HD1 H 1 7.202 0.03 . 3 . . . A 91 TYR HD1 . 18210 1 1021 . 1 1 91 91 TYR HD2 H 1 7.202 0.03 . 3 . . . A 91 TYR HD2 . 18210 1 1022 . 1 1 91 91 TYR HE1 H 1 6.892 0.03 . 3 . . . A 91 TYR HE1 . 18210 1 1023 . 1 1 91 91 TYR HE2 H 1 6.892 0.03 . 3 . . . A 91 TYR HE2 . 18210 1 1024 . 1 1 91 91 TYR C C 13 177.915 0.1 . 1 . . . A 91 TYR C . 18210 1 1025 . 1 1 91 91 TYR CA C 13 60.760 0.1 . 1 . . . A 91 TYR CA . 18210 1 1026 . 1 1 91 91 TYR CB C 13 38.067 0.1 . 1 . . . A 91 TYR CB . 18210 1 1027 . 1 1 91 91 TYR CD1 C 13 133.180 0.1 . 3 . . . A 91 TYR CD1 . 18210 1 1028 . 1 1 91 91 TYR CD2 C 13 133.180 0.1 . 3 . . . A 91 TYR CD2 . 18210 1 1029 . 1 1 91 91 TYR CE1 C 13 118.410 0.1 . 3 . . . A 91 TYR CE1 . 18210 1 1030 . 1 1 91 91 TYR CE2 C 13 118.410 0.1 . 3 . . . A 91 TYR CE2 . 18210 1 1031 . 1 1 92 92 ASN H H 1 7.713 0.03 . 1 . . . A 92 ASN H . 18210 1 1032 . 1 1 92 92 ASN HA H 1 4.773 0.03 . 1 . . . A 92 ASN HA . 18210 1 1033 . 1 1 92 92 ASN HB2 H 1 2.459 0.03 . 1 . . . A 92 ASN HB2 . 18210 1 1034 . 1 1 92 92 ASN HB3 H 1 2.774 0.03 . 1 . . . A 92 ASN HB3 . 18210 1 1035 . 1 1 92 92 ASN HD21 H 1 8.810 0.03 . 1 . . . A 92 ASN HD21 . 18210 1 1036 . 1 1 92 92 ASN HD22 H 1 7.022 0.03 . 1 . . . A 92 ASN HD22 . 18210 1 1037 . 1 1 92 92 ASN C C 13 174.762 0.1 . 1 . . . A 92 ASN C . 18210 1 1038 . 1 1 92 92 ASN CA C 13 52.615 0.1 . 1 . . . A 92 ASN CA . 18210 1 1039 . 1 1 92 92 ASN CB C 13 39.282 0.1 . 1 . . . A 92 ASN CB . 18210 1 1040 . 1 1 92 92 ASN N N 15 113.661 0.1 . 1 . . . A 92 ASN N . 18210 1 1041 . 1 1 92 92 ASN ND2 N 15 117.422 0.1 . 1 . . . A 92 ASN ND2 . 18210 1 1042 . 1 1 93 93 ASN H H 1 7.804 0.03 . 1 . . . A 93 ASN H . 18210 1 1043 . 1 1 93 93 ASN HA H 1 4.709 0.03 . 1 . . . A 93 ASN HA . 18210 1 1044 . 1 1 93 93 ASN HB2 H 1 2.482 0.03 . 1 . . . A 93 ASN HB2 . 18210 1 1045 . 1 1 93 93 ASN HB3 H 1 3.376 0.03 . 1 . . . A 93 ASN HB3 . 18210 1 1046 . 1 1 93 93 ASN HD21 H 1 6.772 0.03 . 1 . . . A 93 ASN HD21 . 18210 1 1047 . 1 1 93 93 ASN C C 13 172.729 0.1 . 1 . . . A 93 ASN C . 18210 1 1048 . 1 1 93 93 ASN CA C 13 52.735 0.1 . 1 . . . A 93 ASN CA . 18210 1 1049 . 1 1 93 93 ASN CB C 13 37.961 0.1 . 1 . . . A 93 ASN CB . 18210 1 1050 . 1 1 93 93 ASN N N 15 125.176 0.1 . 1 . . . A 93 ASN N . 18210 1 1051 . 1 1 93 93 ASN ND2 N 15 107.620 0.1 . 1 . . . A 93 ASN ND2 . 18210 1 1052 . 1 1 94 94 THR H H 1 7.654 0.03 . 1 . . . A 94 THR H . 18210 1 1053 . 1 1 94 94 THR HA H 1 4.852 0.03 . 1 . . . A 94 THR HA . 18210 1 1054 . 1 1 94 94 THR HB H 1 3.639 0.03 . 1 . . . A 94 THR HB . 18210 1 1055 . 1 1 94 94 THR HG21 H 1 1.008 0.03 . 1 . . . A 94 THR HG21 . 18210 1 1056 . 1 1 94 94 THR HG22 H 1 1.008 0.03 . 1 . . . A 94 THR HG22 . 18210 1 1057 . 1 1 94 94 THR HG23 H 1 1.008 0.03 . 1 . . . A 94 THR HG23 . 18210 1 1058 . 1 1 94 94 THR C C 13 170.824 0.1 . 1 . . . A 94 THR C . 18210 1 1059 . 1 1 94 94 THR CA C 13 61.817 0.1 . 1 . . . A 94 THR CA . 18210 1 1060 . 1 1 94 94 THR CB C 13 71.074 0.1 . 1 . . . A 94 THR CB . 18210 1 1061 . 1 1 94 94 THR CG2 C 13 20.902 0.1 . 1 . . . A 94 THR CG2 . 18210 1 1062 . 1 1 94 94 THR N N 15 109.900 0.1 . 1 . . . A 94 THR N . 18210 1 1063 . 1 1 95 95 PHE H H 1 8.166 0.03 . 1 . . . A 95 PHE H . 18210 1 1064 . 1 1 95 95 PHE HA H 1 5.108 0.03 . 1 . . . A 95 PHE HA . 18210 1 1065 . 1 1 95 95 PHE HB2 H 1 1.571 0.03 . 1 . . . A 95 PHE HB2 . 18210 1 1066 . 1 1 95 95 PHE HB3 H 1 2.526 0.03 . 1 . . . A 95 PHE HB3 . 18210 1 1067 . 1 1 95 95 PHE HD1 H 1 6.563 0.03 . 3 . . . A 95 PHE HD1 . 18210 1 1068 . 1 1 95 95 PHE HD2 H 1 6.563 0.03 . 3 . . . A 95 PHE HD2 . 18210 1 1069 . 1 1 95 95 PHE HE1 H 1 6.738 0.03 . 3 . . . A 95 PHE HE1 . 18210 1 1070 . 1 1 95 95 PHE HE2 H 1 6.738 0.03 . 3 . . . A 95 PHE HE2 . 18210 1 1071 . 1 1 95 95 PHE HZ H 1 6.883 0.03 . 1 . . . A 95 PHE HZ . 18210 1 1072 . 1 1 95 95 PHE C C 13 174.143 0.1 . 1 . . . A 95 PHE C . 18210 1 1073 . 1 1 95 95 PHE CA C 13 55.569 0.1 . 1 . . . A 95 PHE CA . 18210 1 1074 . 1 1 95 95 PHE CB C 13 42.793 0.1 . 1 . . . A 95 PHE CB . 18210 1 1075 . 1 1 95 95 PHE CD1 C 13 132.250 0.1 . 3 . . . A 95 PHE CD1 . 18210 1 1076 . 1 1 95 95 PHE CD2 C 13 132.250 0.1 . 3 . . . A 95 PHE CD2 . 18210 1 1077 . 1 1 95 95 PHE CE1 C 13 130.100 0.1 . 3 . . . A 95 PHE CE1 . 18210 1 1078 . 1 1 95 95 PHE CE2 C 13 130.100 0.1 . 3 . . . A 95 PHE CE2 . 18210 1 1079 . 1 1 95 95 PHE CZ C 13 128.540 0.1 . 1 . . . A 95 PHE CZ . 18210 1 1080 . 1 1 95 95 PHE N N 15 126.721 0.1 . 1 . . . A 95 PHE N . 18210 1 1081 . 1 1 96 96 TYR H H 1 9.149 0.03 . 1 . . . A 96 TYR H . 18210 1 1082 . 1 1 96 96 TYR HA H 1 6.067 0.03 . 1 . . . A 96 TYR HA . 18210 1 1083 . 1 1 96 96 TYR HB2 H 1 2.721 0.03 . 1 . . . A 96 TYR HB2 . 18210 1 1084 . 1 1 96 96 TYR HB3 H 1 3.193 0.03 . 1 . . . A 96 TYR HB3 . 18210 1 1085 . 1 1 96 96 TYR HD1 H 1 6.970 0.03 . 3 . . . A 96 TYR HD1 . 18210 1 1086 . 1 1 96 96 TYR HD2 H 1 6.970 0.03 . 3 . . . A 96 TYR HD2 . 18210 1 1087 . 1 1 96 96 TYR HE1 H 1 6.543 0.03 . 3 . . . A 96 TYR HE1 . 18210 1 1088 . 1 1 96 96 TYR HE2 H 1 6.543 0.03 . 3 . . . A 96 TYR HE2 . 18210 1 1089 . 1 1 96 96 TYR C C 13 175.734 0.1 . 1 . . . A 96 TYR C . 18210 1 1090 . 1 1 96 96 TYR CA C 13 56.432 0.1 . 1 . . . A 96 TYR CA . 18210 1 1091 . 1 1 96 96 TYR CB C 13 44.167 0.1 . 1 . . . A 96 TYR CB . 18210 1 1092 . 1 1 96 96 TYR CD1 C 13 132.830 0.1 . 3 . . . A 96 TYR CD1 . 18210 1 1093 . 1 1 96 96 TYR CD2 C 13 132.830 0.1 . 3 . . . A 96 TYR CD2 . 18210 1 1094 . 1 1 96 96 TYR CE1 C 13 118.340 0.1 . 3 . . . A 96 TYR CE1 . 18210 1 1095 . 1 1 96 96 TYR CE2 C 13 118.340 0.1 . 3 . . . A 96 TYR CE2 . 18210 1 1096 . 1 1 96 96 TYR N N 15 115.709 0.1 . 1 . . . A 96 TYR N . 18210 1 1097 . 1 1 97 97 SER H H 1 8.921 0.03 . 1 . . . A 97 SER H . 18210 1 1098 . 1 1 97 97 SER HA H 1 4.430 0.03 . 1 . . . A 97 SER HA . 18210 1 1099 . 1 1 97 97 SER HB2 H 1 3.350 0.03 . 1 . . . A 97 SER HB2 . 18210 1 1100 . 1 1 97 97 SER HB3 H 1 3.280 0.03 . 1 . . . A 97 SER HB3 . 18210 1 1101 . 1 1 97 97 SER C C 13 170.684 0.1 . 1 . . . A 97 SER C . 18210 1 1102 . 1 1 97 97 SER CA C 13 59.324 0.1 . 1 . . . A 97 SER CA . 18210 1 1103 . 1 1 97 97 SER CB C 13 66.341 0.1 . 1 . . . A 97 SER CB . 18210 1 1104 . 1 1 97 97 SER N N 15 109.503 0.1 . 1 . . . A 97 SER N . 18210 1 1105 . 1 1 98 98 ARG HA H 1 5.394 0.03 . 1 . . . A 98 ARG HA . 18210 1 1106 . 1 1 98 98 ARG HB2 H 1 1.406 0.03 . 1 . . . A 98 ARG HB2 . 18210 1 1107 . 1 1 98 98 ARG HB3 H 1 1.706 0.03 . 1 . . . A 98 ARG HB3 . 18210 1 1108 . 1 1 98 98 ARG HG2 H 1 1.627 0.03 . 1 . . . A 98 ARG HG2 . 18210 1 1109 . 1 1 98 98 ARG HG3 H 1 1.348 0.03 . 1 . . . A 98 ARG HG3 . 18210 1 1110 . 1 1 98 98 ARG HD2 H 1 3.196 0.03 . 1 . . . A 98 ARG HD2 . 18210 1 1111 . 1 1 98 98 ARG HD3 H 1 2.913 0.03 . 1 . . . A 98 ARG HD3 . 18210 1 1112 . 1 1 98 98 ARG HE H 1 7.099 0.03 . 1 . . . A 98 ARG HE . 18210 1 1113 . 1 1 98 98 ARG C C 13 175.850 0.1 . 1 . . . A 98 ARG C . 18210 1 1114 . 1 1 98 98 ARG CA C 13 54.176 0.1 . 1 . . . A 98 ARG CA . 18210 1 1115 . 1 1 98 98 ARG CB C 13 33.127 0.1 . 1 . . . A 98 ARG CB . 18210 1 1116 . 1 1 98 98 ARG CG C 13 27.425 0.1 . 1 . . . A 98 ARG CG . 18210 1 1117 . 1 1 98 98 ARG CD C 13 43.547 0.1 . 1 . . . A 98 ARG CD . 18210 1 1118 . 1 1 98 98 ARG NE N 15 83.380 0.1 . 1 . . . A 98 ARG NE . 18210 1 1119 . 1 1 99 99 LEU HA H 1 4.330 0.03 . 1 . . . A 99 LEU HA . 18210 1 1120 . 1 1 99 99 LEU HB2 H 1 1.642 0.03 . 1 . . . A 99 LEU HB2 . 18210 1 1121 . 1 1 99 99 LEU HB3 H 1 2.107 0.03 . 1 . . . A 99 LEU HB3 . 18210 1 1122 . 1 1 99 99 LEU HG H 1 1.890 0.03 . 1 . . . A 99 LEU HG . 18210 1 1123 . 1 1 99 99 LEU HD11 H 1 0.968 0.03 . 1 . . . A 99 LEU HD11 . 18210 1 1124 . 1 1 99 99 LEU HD12 H 1 0.968 0.03 . 1 . . . A 99 LEU HD12 . 18210 1 1125 . 1 1 99 99 LEU HD13 H 1 0.968 0.03 . 1 . . . A 99 LEU HD13 . 18210 1 1126 . 1 1 99 99 LEU HD21 H 1 0.785 0.03 . 1 . . . A 99 LEU HD21 . 18210 1 1127 . 1 1 99 99 LEU HD22 H 1 0.785 0.03 . 1 . . . A 99 LEU HD22 . 18210 1 1128 . 1 1 99 99 LEU HD23 H 1 0.785 0.03 . 1 . . . A 99 LEU HD23 . 18210 1 1129 . 1 1 99 99 LEU CA C 13 53.806 0.1 . 1 . . . A 99 LEU CA . 18210 1 1130 . 1 1 99 99 LEU CB C 13 40.903 0.1 . 1 . . . A 99 LEU CB . 18210 1 1131 . 1 1 99 99 LEU CG C 13 29.450 0.1 . 1 . . . A 99 LEU CG . 18210 1 1132 . 1 1 99 99 LEU CD1 C 13 24.860 0.1 . 1 . . . A 99 LEU CD1 . 18210 1 1133 . 1 1 99 99 LEU CD2 C 13 24.090 0.1 . 1 . . . A 99 LEU CD2 . 18210 1 1134 . 1 1 100 100 PRO HA H 1 4.676 0.03 . 1 . . . A 100 PRO HA . 18210 1 1135 . 1 1 100 100 PRO HB2 H 1 2.230 0.03 . 1 . . . A 100 PRO HB2 . 18210 1 1136 . 1 1 100 100 PRO HB3 H 1 2.497 0.03 . 1 . . . A 100 PRO HB3 . 18210 1 1137 . 1 1 100 100 PRO HG2 H 1 1.906 0.03 . 1 . . . A 100 PRO HG2 . 18210 1 1138 . 1 1 100 100 PRO HG3 H 1 2.190 0.03 . 1 . . . A 100 PRO HG3 . 18210 1 1139 . 1 1 100 100 PRO HD2 H 1 3.515 0.03 . 1 . . . A 100 PRO HD2 . 18210 1 1140 . 1 1 100 100 PRO HD3 H 1 3.371 0.03 . 1 . . . A 100 PRO HD3 . 18210 1 1141 . 1 1 100 100 PRO C C 13 175.744 0.1 . 1 . . . A 100 PRO C . 18210 1 1142 . 1 1 100 100 PRO CA C 13 62.289 0.1 . 1 . . . A 100 PRO CA . 18210 1 1143 . 1 1 100 100 PRO CB C 13 32.786 0.1 . 1 . . . A 100 PRO CB . 18210 1 1144 . 1 1 100 100 PRO CG C 13 26.956 0.1 . 1 . . . A 100 PRO CG . 18210 1 1145 . 1 1 100 100 PRO CD C 13 49.984 0.1 . 1 . . . A 100 PRO CD . 18210 1 1146 . 1 1 101 101 SER HA H 1 4.126 0.03 . 1 . . . A 101 SER HA . 18210 1 1147 . 1 1 101 101 SER HB3 H 1 3.967 0.03 . 1 . . . A 101 SER HB3 . 18210 1 1148 . 1 1 101 101 SER C C 13 173.214 0.1 . 1 . . . A 101 SER C . 18210 1 1149 . 1 1 101 101 SER CA C 13 60.265 0.1 . 1 . . . A 101 SER CA . 18210 1 1150 . 1 1 101 101 SER CB C 13 63.660 0.1 . 1 . . . A 101 SER CB . 18210 1 1151 . 1 1 102 102 LEU H H 1 7.179 0.03 . 1 . . . A 102 LEU H . 18210 1 1152 . 1 1 102 102 LEU HA H 1 4.532 0.03 . 1 . . . A 102 LEU HA . 18210 1 1153 . 1 1 102 102 LEU HB2 H 1 1.564 0.03 . 1 . . . A 102 LEU HB2 . 18210 1 1154 . 1 1 102 102 LEU HB3 H 1 1.510 0.03 . 1 . . . A 102 LEU HB3 . 18210 1 1155 . 1 1 102 102 LEU HG H 1 1.446 0.03 . 1 . . . A 102 LEU HG . 18210 1 1156 . 1 1 102 102 LEU HD11 H 1 0.901 0.03 . 1 . . . A 102 LEU HD11 . 18210 1 1157 . 1 1 102 102 LEU HD12 H 1 0.901 0.03 . 1 . . . A 102 LEU HD12 . 18210 1 1158 . 1 1 102 102 LEU HD13 H 1 0.901 0.03 . 1 . . . A 102 LEU HD13 . 18210 1 1159 . 1 1 102 102 LEU HD21 H 1 0.864 0.03 . 1 . . . A 102 LEU HD21 . 18210 1 1160 . 1 1 102 102 LEU HD22 H 1 0.864 0.03 . 1 . . . A 102 LEU HD22 . 18210 1 1161 . 1 1 102 102 LEU HD23 H 1 0.864 0.03 . 1 . . . A 102 LEU HD23 . 18210 1 1162 . 1 1 102 102 LEU C C 13 175.187 0.1 . 1 . . . A 102 LEU C . 18210 1 1163 . 1 1 102 102 LEU CA C 13 54.686 0.1 . 1 . . . A 102 LEU CA . 18210 1 1164 . 1 1 102 102 LEU CB C 13 44.380 0.1 . 1 . . . A 102 LEU CB . 18210 1 1165 . 1 1 102 102 LEU CG C 13 27.156 0.1 . 1 . . . A 102 LEU CG . 18210 1 1166 . 1 1 102 102 LEU CD1 C 13 24.130 0.1 . 1 . . . A 102 LEU CD1 . 18210 1 1167 . 1 1 102 102 LEU CD2 C 13 24.620 0.1 . 1 . . . A 102 LEU CD2 . 18210 1 1168 . 1 1 102 102 LEU N N 15 121.389 0.1 . 1 . . . A 102 LEU N . 18210 1 1169 . 1 1 103 103 ILE HA H 1 4.443 0.03 . 1 . . . A 103 ILE HA . 18210 1 1170 . 1 1 103 103 ILE HB H 1 1.990 0.03 . 1 . . . A 103 ILE HB . 18210 1 1171 . 1 1 103 103 ILE HG12 H 1 1.456 0.03 . 1 . . . A 103 ILE HG12 . 18210 1 1172 . 1 1 103 103 ILE HG13 H 1 1.103 0.03 . 1 . . . A 103 ILE HG13 . 18210 1 1173 . 1 1 103 103 ILE HG21 H 1 0.999 0.03 . 1 . . . A 103 ILE HG21 . 18210 1 1174 . 1 1 103 103 ILE HG22 H 1 0.999 0.03 . 1 . . . A 103 ILE HG22 . 18210 1 1175 . 1 1 103 103 ILE HG23 H 1 0.999 0.03 . 1 . . . A 103 ILE HG23 . 18210 1 1176 . 1 1 103 103 ILE HD11 H 1 0.843 0.03 . 1 . . . A 103 ILE HD11 . 18210 1 1177 . 1 1 103 103 ILE HD12 H 1 0.843 0.03 . 1 . . . A 103 ILE HD12 . 18210 1 1178 . 1 1 103 103 ILE HD13 H 1 0.843 0.03 . 1 . . . A 103 ILE HD13 . 18210 1 1179 . 1 1 103 103 ILE C C 13 175.490 0.1 . 1 . . . A 103 ILE C . 18210 1 1180 . 1 1 103 103 ILE CA C 13 59.909 0.1 . 1 . . . A 103 ILE CA . 18210 1 1181 . 1 1 103 103 ILE CB C 13 39.678 0.1 . 1 . . . A 103 ILE CB . 18210 1 1182 . 1 1 103 103 ILE CG1 C 13 26.780 0.1 . 1 . . . A 103 ILE CG1 . 18210 1 1183 . 1 1 103 103 ILE CG2 C 13 18.260 0.1 . 1 . . . A 103 ILE CG2 . 18210 1 1184 . 1 1 103 103 ILE CD1 C 13 13.400 0.1 . 1 . . . A 103 ILE CD1 . 18210 1 1185 . 1 1 104 104 SER H H 1 8.471 0.03 . 1 . . . A 104 SER H . 18210 1 1186 . 1 1 104 104 SER HA H 1 4.581 0.03 . 1 . . . A 104 SER HA . 18210 1 1187 . 1 1 104 104 SER HB2 H 1 3.945 0.03 . 1 . . . A 104 SER HB2 . 18210 1 1188 . 1 1 104 104 SER HB3 H 1 3.876 0.03 . 1 . . . A 104 SER HB3 . 18210 1 1189 . 1 1 104 104 SER C C 13 173.234 0.1 . 1 . . . A 104 SER C . 18210 1 1190 . 1 1 104 104 SER CA C 13 58.166 0.1 . 1 . . . A 104 SER CA . 18210 1 1191 . 1 1 104 104 SER CB C 13 64.341 0.1 . 1 . . . A 104 SER CB . 18210 1 1192 . 1 1 104 104 SER N N 15 120.807 0.1 . 1 . . . A 104 SER N . 18210 1 1193 . 1 1 105 105 ASP H H 1 8.060 0.03 . 1 . . . A 105 ASP H . 18210 1 1194 . 1 1 105 105 ASP HA H 1 4.649 0.03 . 1 . . . A 105 ASP HA . 18210 1 1195 . 1 1 105 105 ASP HB3 H 1 2.612 0.03 . 1 . . . A 105 ASP HB3 . 18210 1 1196 . 1 1 105 105 ASP C C 13 174.991 0.1 . 1 . . . A 105 ASP C . 18210 1 1197 . 1 1 105 105 ASP CA C 13 53.734 0.1 . 1 . . . A 105 ASP CA . 18210 1 1198 . 1 1 105 105 ASP CB C 13 42.477 0.1 . 1 . . . A 105 ASP CB . 18210 1 1199 . 1 1 105 105 ASP N N 15 119.103 0.1 . 1 . . . A 105 ASP N . 18210 1 1200 . 1 1 106 106 ASN H H 1 8.389 0.03 . 1 . . . A 106 ASN H . 18210 1 1201 . 1 1 106 106 ASN HA H 1 4.735 0.03 . 1 . . . A 106 ASN HA . 18210 1 1202 . 1 1 106 106 ASN HB2 H 1 2.643 0.03 . 1 . . . A 106 ASN HB2 . 18210 1 1203 . 1 1 106 106 ASN HB3 H 1 2.884 0.03 . 1 . . . A 106 ASN HB3 . 18210 1 1204 . 1 1 106 106 ASN HD21 H 1 7.779 0.03 . 1 . . . A 106 ASN HD21 . 18210 1 1205 . 1 1 106 106 ASN HD22 H 1 6.811 0.03 . 1 . . . A 106 ASN HD22 . 18210 1 1206 . 1 1 106 106 ASN C C 13 174.308 0.1 . 1 . . . A 106 ASN C . 18210 1 1207 . 1 1 106 106 ASN CA C 13 53.780 0.1 . 1 . . . A 106 ASN CA . 18210 1 1208 . 1 1 106 106 ASN CB C 13 39.022 0.1 . 1 . . . A 106 ASN CB . 18210 1 1209 . 1 1 106 106 ASN N N 15 116.036 0.1 . 1 . . . A 106 ASN N . 18210 1 1210 . 1 1 106 106 ASN ND2 N 15 112.711 0.1 . 1 . . . A 106 ASN ND2 . 18210 1 1211 . 1 1 107 107 TRP H H 1 7.846 0.03 . 1 . . . A 107 TRP H . 18210 1 1212 . 1 1 107 107 TRP HA H 1 4.829 0.03 . 1 . . . A 107 TRP HA . 18210 1 1213 . 1 1 107 107 TRP HB2 H 1 3.195 0.03 . 1 . . . A 107 TRP HB2 . 18210 1 1214 . 1 1 107 107 TRP HB3 H 1 3.321 0.03 . 1 . . . A 107 TRP HB3 . 18210 1 1215 . 1 1 107 107 TRP HD1 H 1 7.045 0.03 . 1 . . . A 107 TRP HD1 . 18210 1 1216 . 1 1 107 107 TRP HE1 H 1 9.843 0.03 . 1 . . . A 107 TRP HE1 . 18210 1 1217 . 1 1 107 107 TRP HE3 H 1 7.451 0.03 . 1 . . . A 107 TRP HE3 . 18210 1 1218 . 1 1 107 107 TRP HZ2 H 1 7.285 0.03 . 1 . . . A 107 TRP HZ2 . 18210 1 1219 . 1 1 107 107 TRP HZ3 H 1 6.903 0.03 . 1 . . . A 107 TRP HZ3 . 18210 1 1220 . 1 1 107 107 TRP HH2 H 1 6.946 0.03 . 1 . . . A 107 TRP HH2 . 18210 1 1221 . 1 1 107 107 TRP C C 13 174.949 0.1 . 1 . . . A 107 TRP C . 18210 1 1222 . 1 1 107 107 TRP CA C 13 56.192 0.1 . 1 . . . A 107 TRP CA . 18210 1 1223 . 1 1 107 107 TRP CB C 13 32.213 0.1 . 1 . . . A 107 TRP CB . 18210 1 1224 . 1 1 107 107 TRP CD1 C 13 127.970 0.1 . 1 . . . A 107 TRP CD1 . 18210 1 1225 . 1 1 107 107 TRP CE3 C 13 121.100 0.1 . 1 . . . A 107 TRP CE3 . 18210 1 1226 . 1 1 107 107 TRP CZ2 C 13 114.300 0.1 . 1 . . . A 107 TRP CZ2 . 18210 1 1227 . 1 1 107 107 TRP CZ3 C 13 121.400 0.1 . 1 . . . A 107 TRP CZ3 . 18210 1 1228 . 1 1 107 107 TRP CH2 C 13 123.730 0.1 . 1 . . . A 107 TRP CH2 . 18210 1 1229 . 1 1 107 107 TRP N N 15 119.645 0.1 . 1 . . . A 107 TRP N . 18210 1 1230 . 1 1 107 107 TRP NE1 N 15 129.109 0.1 . 1 . . . A 107 TRP NE1 . 18210 1 1231 . 1 1 108 108 LYS HA H 1 5.462 0.03 . 1 . . . A 108 LYS HA . 18210 1 1232 . 1 1 108 108 LYS HB2 H 1 1.812 0.03 . 1 . . . A 108 LYS HB2 . 18210 1 1233 . 1 1 108 108 LYS HB3 H 1 1.743 0.03 . 1 . . . A 108 LYS HB3 . 18210 1 1234 . 1 1 108 108 LYS HG3 H 1 1.620 0.03 . 1 . . . A 108 LYS HG3 . 18210 1 1235 . 1 1 108 108 LYS HD2 H 1 1.390 0.03 . 1 . . . A 108 LYS HD2 . 18210 1 1236 . 1 1 108 108 LYS HD3 H 1 1.231 0.03 . 1 . . . A 108 LYS HD3 . 18210 1 1237 . 1 1 108 108 LYS C C 13 174.986 0.1 . 1 . . . A 108 LYS C . 18210 1 1238 . 1 1 108 108 LYS CA C 13 56.196 0.1 . 1 . . . A 108 LYS CA . 18210 1 1239 . 1 1 108 108 LYS CB C 13 36.215 0.1 . 1 . . . A 108 LYS CB . 18210 1 1240 . 1 1 108 108 LYS CG C 13 25.306 0.1 . 1 . . . A 108 LYS CG . 18210 1 1241 . 1 1 108 108 LYS CD C 13 30.081 0.1 . 1 . . . A 108 LYS CD . 18210 1 1242 . 1 1 108 108 LYS CE C 13 42.241 0.1 . 1 . . . A 108 LYS CE . 18210 1 1243 . 1 1 109 109 PHE HA H 1 5.545 0.03 . 1 . . . A 109 PHE HA . 18210 1 1244 . 1 1 109 109 PHE HB3 H 1 3.049 0.03 . 1 . . . A 109 PHE HB3 . 18210 1 1245 . 1 1 109 109 PHE HD1 H 1 6.922 0.03 . 3 . . . A 109 PHE HD1 . 18210 1 1246 . 1 1 109 109 PHE HD2 H 1 6.922 0.03 . 3 . . . A 109 PHE HD2 . 18210 1 1247 . 1 1 109 109 PHE HE1 H 1 7.040 0.03 . 3 . . . A 109 PHE HE1 . 18210 1 1248 . 1 1 109 109 PHE HE2 H 1 7.040 0.03 . 3 . . . A 109 PHE HE2 . 18210 1 1249 . 1 1 109 109 PHE HZ H 1 7.140 0.03 . 1 . . . A 109 PHE HZ . 18210 1 1250 . 1 1 109 109 PHE C C 13 172.950 0.1 . 1 . . . A 109 PHE C . 18210 1 1251 . 1 1 109 109 PHE CA C 13 56.420 0.1 . 1 . . . A 109 PHE CA . 18210 1 1252 . 1 1 109 109 PHE CB C 13 41.891 0.1 . 1 . . . A 109 PHE CB . 18210 1 1253 . 1 1 109 109 PHE CD1 C 13 132.900 0.1 . 3 . . . A 109 PHE CD1 . 18210 1 1254 . 1 1 109 109 PHE CD2 C 13 132.900 0.1 . 3 . . . A 109 PHE CD2 . 18210 1 1255 . 1 1 109 109 PHE CE1 C 13 130.496 0.1 . 3 . . . A 109 PHE CE1 . 18210 1 1256 . 1 1 109 109 PHE CE2 C 13 130.496 0.1 . 3 . . . A 109 PHE CE2 . 18210 1 1257 . 1 1 109 109 PHE CZ C 13 128.210 0.1 . 1 . . . A 109 PHE CZ . 18210 1 1258 . 1 1 110 110 PHE H H 1 9.267 0.03 . 1 . . . A 110 PHE H . 18210 1 1259 . 1 1 110 110 PHE HA H 1 6.032 0.03 . 1 . . . A 110 PHE HA . 18210 1 1260 . 1 1 110 110 PHE HB2 H 1 2.936 0.03 . 1 . . . A 110 PHE HB2 . 18210 1 1261 . 1 1 110 110 PHE HB3 H 1 3.113 0.03 . 1 . . . A 110 PHE HB3 . 18210 1 1262 . 1 1 110 110 PHE HD1 H 1 6.829 0.03 . 3 . . . A 110 PHE HD1 . 18210 1 1263 . 1 1 110 110 PHE HD2 H 1 6.829 0.03 . 3 . . . A 110 PHE HD2 . 18210 1 1264 . 1 1 110 110 PHE HE1 H 1 7.056 0.03 . 3 . . . A 110 PHE HE1 . 18210 1 1265 . 1 1 110 110 PHE HE2 H 1 7.056 0.03 . 3 . . . A 110 PHE HE2 . 18210 1 1266 . 1 1 110 110 PHE HZ H 1 6.966 0.03 . 1 . . . A 110 PHE HZ . 18210 1 1267 . 1 1 110 110 PHE C C 13 173.892 0.1 . 1 . . . A 110 PHE C . 18210 1 1268 . 1 1 110 110 PHE CA C 13 56.232 0.1 . 1 . . . A 110 PHE CA . 18210 1 1269 . 1 1 110 110 PHE CB C 13 43.366 0.1 . 1 . . . A 110 PHE CB . 18210 1 1270 . 1 1 110 110 PHE CD1 C 13 132.130 0.1 . 3 . . . A 110 PHE CD1 . 18210 1 1271 . 1 1 110 110 PHE CD2 C 13 132.130 0.1 . 3 . . . A 110 PHE CD2 . 18210 1 1272 . 1 1 110 110 PHE CE1 C 13 132.200 0.1 . 3 . . . A 110 PHE CE1 . 18210 1 1273 . 1 1 110 110 PHE CE2 C 13 132.200 0.1 . 3 . . . A 110 PHE CE2 . 18210 1 1274 . 1 1 110 110 PHE CZ C 13 129.550 0.1 . 1 . . . A 110 PHE CZ . 18210 1 1275 . 1 1 110 110 PHE N N 15 115.390 0.1 . 1 . . . A 110 PHE N . 18210 1 1276 . 1 1 111 111 CYS H H 1 9.274 0.03 . 1 . . . A 111 CYS H . 18210 1 1277 . 1 1 111 111 CYS HA H 1 5.061 0.03 . 1 . . . A 111 CYS HA . 18210 1 1278 . 1 1 111 111 CYS HB2 H 1 2.597 0.03 . 1 . . . A 111 CYS HB2 . 18210 1 1279 . 1 1 111 111 CYS HB3 H 1 3.364 0.03 . 1 . . . A 111 CYS HB3 . 18210 1 1280 . 1 1 111 111 CYS C C 13 171.900 0.1 . 1 . . . A 111 CYS C . 18210 1 1281 . 1 1 111 111 CYS CA C 13 53.852 0.1 . 1 . . . A 111 CYS CA . 18210 1 1282 . 1 1 111 111 CYS CB C 13 47.830 0.1 . 1 . . . A 111 CYS CB . 18210 1 1283 . 1 1 111 111 CYS N N 15 116.463 0.1 . 1 . . . A 111 CYS N . 18210 1 1284 . 1 1 112 112 VAL H H 1 9.605 0.03 . 1 . . . A 112 VAL H . 18210 1 1285 . 1 1 112 112 VAL HA H 1 5.202 0.03 . 1 . . . A 112 VAL HA . 18210 1 1286 . 1 1 112 112 VAL HB H 1 2.046 0.03 . 1 . . . A 112 VAL HB . 18210 1 1287 . 1 1 112 112 VAL HG11 H 1 1.053 0.03 . 1 . . . A 112 VAL HG11 . 18210 1 1288 . 1 1 112 112 VAL HG12 H 1 1.053 0.03 . 1 . . . A 112 VAL HG12 . 18210 1 1289 . 1 1 112 112 VAL HG13 H 1 1.053 0.03 . 1 . . . A 112 VAL HG13 . 18210 1 1290 . 1 1 112 112 VAL HG21 H 1 0.925 0.03 . 1 . . . A 112 VAL HG21 . 18210 1 1291 . 1 1 112 112 VAL HG22 H 1 0.925 0.03 . 1 . . . A 112 VAL HG22 . 18210 1 1292 . 1 1 112 112 VAL HG23 H 1 0.925 0.03 . 1 . . . A 112 VAL HG23 . 18210 1 1293 . 1 1 112 112 VAL C C 13 175.041 0.1 . 1 . . . A 112 VAL C . 18210 1 1294 . 1 1 112 112 VAL CA C 13 60.443 0.1 . 1 . . . A 112 VAL CA . 18210 1 1295 . 1 1 112 112 VAL CB C 13 36.577 0.1 . 1 . . . A 112 VAL CB . 18210 1 1296 . 1 1 112 112 VAL CG1 C 13 21.952 0.1 . 1 . . . A 112 VAL CG1 . 18210 1 1297 . 1 1 112 112 VAL CG2 C 13 22.020 0.1 . 1 . . . A 112 VAL CG2 . 18210 1 1298 . 1 1 113 113 CYS HA H 1 5.760 0.03 . 1 . . . A 113 CYS HA . 18210 1 1299 . 1 1 113 113 CYS HB2 H 1 3.050 0.03 . 1 . . . A 113 CYS HB2 . 18210 1 1300 . 1 1 113 113 CYS HB3 H 1 3.331 0.03 . 1 . . . A 113 CYS HB3 . 18210 1 1301 . 1 1 113 113 CYS C C 13 173.601 0.1 . 1 . . . A 113 CYS C . 18210 1 1302 . 1 1 113 113 CYS CA C 13 52.821 0.1 . 1 . . . A 113 CYS CA . 18210 1 1303 . 1 1 113 113 CYS CB C 13 43.946 0.1 . 1 . . . A 113 CYS CB . 18210 1 1304 . 1 1 114 114 SER H H 1 9.250 0.03 . 1 . . . A 114 SER H . 18210 1 1305 . 1 1 114 114 SER HA H 1 5.093 0.03 . 1 . . . A 114 SER HA . 18210 1 1306 . 1 1 114 114 SER HB2 H 1 3.588 0.03 . 1 . . . A 114 SER HB2 . 18210 1 1307 . 1 1 114 114 SER HB3 H 1 3.658 0.03 . 1 . . . A 114 SER HB3 . 18210 1 1308 . 1 1 114 114 SER C C 13 172.267 0.1 . 1 . . . A 114 SER C . 18210 1 1309 . 1 1 114 114 SER CA C 13 56.677 0.1 . 1 . . . A 114 SER CA . 18210 1 1310 . 1 1 114 114 SER CB C 13 66.795 0.1 . 1 . . . A 114 SER CB . 18210 1 1311 . 1 1 114 114 SER N N 15 117.968 0.1 . 1 . . . A 114 SER N . 18210 1 1312 . 1 1 115 115 LYS H H 1 8.705 0.03 . 1 . . . A 115 LYS H . 18210 1 1313 . 1 1 115 115 LYS HA H 1 4.106 0.03 . 1 . . . A 115 LYS HA . 18210 1 1314 . 1 1 115 115 LYS HB2 H 1 0.439 0.03 . 1 . . . A 115 LYS HB2 . 18210 1 1315 . 1 1 115 115 LYS HB3 H 1 0.502 0.03 . 1 . . . A 115 LYS HB3 . 18210 1 1316 . 1 1 115 115 LYS HG2 H 1 1.239 0.03 . 1 . . . A 115 LYS HG2 . 18210 1 1317 . 1 1 115 115 LYS HG3 H 1 1.320 0.03 . 1 . . . A 115 LYS HG3 . 18210 1 1318 . 1 1 115 115 LYS HD3 H 1 1.066 0.03 . 1 . . . A 115 LYS HD3 . 18210 1 1319 . 1 1 115 115 LYS HE3 H 1 2.930 0.03 . 1 . . . A 115 LYS HE3 . 18210 1 1320 . 1 1 115 115 LYS C C 13 174.527 0.1 . 1 . . . A 115 LYS C . 18210 1 1321 . 1 1 115 115 LYS CA C 13 55.922 0.1 . 1 . . . A 115 LYS CA . 18210 1 1322 . 1 1 115 115 LYS CB C 13 34.009 0.1 . 1 . . . A 115 LYS CB . 18210 1 1323 . 1 1 115 115 LYS CG C 13 24.527 0.1 . 1 . . . A 115 LYS CG . 18210 1 1324 . 1 1 115 115 LYS CD C 13 29.635 0.1 . 1 . . . A 115 LYS CD . 18210 1 1325 . 1 1 115 115 LYS CE C 13 42.457 0.1 . 1 . . . A 115 LYS CE . 18210 1 1326 . 1 1 116 116 ASP HA H 1 4.191 0.03 . 1 . . . A 116 ASP HA . 18210 1 1327 . 1 1 116 116 ASP HB3 H 1 2.554 0.03 . 1 . . . A 116 ASP HB3 . 18210 1 1328 . 1 1 116 116 ASP C C 13 176.002 0.1 . 1 . . . A 116 ASP C . 18210 1 1329 . 1 1 116 116 ASP CA C 13 56.314 0.1 . 1 . . . A 116 ASP CA . 18210 1 1330 . 1 1 116 116 ASP CB C 13 40.447 0.1 . 1 . . . A 116 ASP CB . 18210 1 1331 . 1 1 117 117 ASN H H 1 8.752 0.03 . 1 . . . A 117 ASN H . 18210 1 1332 . 1 1 117 117 ASN HA H 1 4.439 0.03 . 1 . . . A 117 ASN HA . 18210 1 1333 . 1 1 117 117 ASN HB2 H 1 2.983 0.03 . 1 . . . A 117 ASN HB2 . 18210 1 1334 . 1 1 117 117 ASN HB3 H 1 2.879 0.03 . 1 . . . A 117 ASN HB3 . 18210 1 1335 . 1 1 117 117 ASN HD21 H 1 7.492 0.03 . 1 . . . A 117 ASN HD21 . 18210 1 1336 . 1 1 117 117 ASN HD22 H 1 6.841 0.03 . 1 . . . A 117 ASN HD22 . 18210 1 1337 . 1 1 117 117 ASN C C 13 174.246 0.1 . 1 . . . A 117 ASN C . 18210 1 1338 . 1 1 117 117 ASN CA C 13 54.433 0.1 . 1 . . . A 117 ASN CA . 18210 1 1339 . 1 1 117 117 ASN CB C 13 38.182 0.1 . 1 . . . A 117 ASN CB . 18210 1 1340 . 1 1 117 117 ASN N N 15 116.913 0.1 . 1 . . . A 117 ASN N . 18210 1 1341 . 1 1 117 117 ASN ND2 N 15 113.200 0.1 . 1 . . . A 117 ASN ND2 . 18210 1 1342 . 1 1 118 118 GLU H H 1 7.819 0.03 . 1 . . . A 118 GLU H . 18210 1 1343 . 1 1 118 118 GLU HA H 1 4.760 0.03 . 1 . . . A 118 GLU HA . 18210 1 1344 . 1 1 118 118 GLU HB2 H 1 1.625 0.03 . 1 . . . A 118 GLU HB2 . 18210 1 1345 . 1 1 118 118 GLU HB3 H 1 2.447 0.03 . 1 . . . A 118 GLU HB3 . 18210 1 1346 . 1 1 118 118 GLU HG3 H 1 2.141 0.03 . 1 . . . A 118 GLU HG3 . 18210 1 1347 . 1 1 118 118 GLU C C 13 177.397 0.1 . 1 . . . A 118 GLU C . 18210 1 1348 . 1 1 118 118 GLU CA C 13 54.309 0.1 . 1 . . . A 118 GLU CA . 18210 1 1349 . 1 1 118 118 GLU CB C 13 31.091 0.1 . 1 . . . A 118 GLU CB . 18210 1 1350 . 1 1 118 118 GLU CG C 13 34.531 0.1 . 1 . . . A 118 GLU CG . 18210 1 1351 . 1 1 118 118 GLU N N 15 116.615 0.1 . 1 . . . A 118 GLU N . 18210 1 1352 . 1 1 119 119 LYS HA H 1 4.165 0.03 . 1 . . . A 119 LYS HA . 18210 1 1353 . 1 1 119 119 LYS HB2 H 1 1.656 0.03 . 1 . . . A 119 LYS HB2 . 18210 1 1354 . 1 1 119 119 LYS HB3 H 1 1.778 0.03 . 1 . . . A 119 LYS HB3 . 18210 1 1355 . 1 1 119 119 LYS HG3 H 1 1.687 0.03 . 1 . . . A 119 LYS HG3 . 18210 1 1356 . 1 1 119 119 LYS HD3 H 1 1.495 0.03 . 1 . . . A 119 LYS HD3 . 18210 1 1357 . 1 1 119 119 LYS HE3 H 1 2.988 0.03 . 1 . . . A 119 LYS HE3 . 18210 1 1358 . 1 1 119 119 LYS C C 13 177.626 0.1 . 1 . . . A 119 LYS C . 18210 1 1359 . 1 1 119 119 LYS CA C 13 57.540 0.1 . 1 . . . A 119 LYS CA . 18210 1 1360 . 1 1 119 119 LYS CB C 13 32.845 0.1 . 1 . . . A 119 LYS CB . 18210 1 1361 . 1 1 119 119 LYS CG C 13 25.073 0.1 . 1 . . . A 119 LYS CG . 18210 1 1362 . 1 1 119 119 LYS CD C 13 29.522 0.1 . 1 . . . A 119 LYS CD . 18210 1 1363 . 1 1 119 119 LYS CE C 13 42.471 0.1 . 1 . . . A 119 LYS CE . 18210 1 1364 . 1 1 120 120 LYS HA H 1 4.305 0.03 . 1 . . . A 120 LYS HA . 18210 1 1365 . 1 1 120 120 LYS HB2 H 1 1.613 0.03 . 1 . . . A 120 LYS HB2 . 18210 1 1366 . 1 1 120 120 LYS HB3 H 1 1.434 0.03 . 1 . . . A 120 LYS HB3 . 18210 1 1367 . 1 1 120 120 LYS HG3 H 1 1.606 0.03 . 1 . . . A 120 LYS HG3 . 18210 1 1368 . 1 1 120 120 LYS HD3 H 1 1.300 0.03 . 1 . . . A 120 LYS HD3 . 18210 1 1369 . 1 1 120 120 LYS HE3 H 1 2.893 0.03 . 1 . . . A 120 LYS HE3 . 18210 1 1370 . 1 1 120 120 LYS C C 13 174.312 0.1 . 1 . . . A 120 LYS C . 18210 1 1371 . 1 1 120 120 LYS CA C 13 57.106 0.1 . 1 . . . A 120 LYS CA . 18210 1 1372 . 1 1 120 120 LYS CB C 13 33.188 0.1 . 1 . . . A 120 LYS CB . 18210 1 1373 . 1 1 120 120 LYS CG C 13 25.548 0.1 . 1 . . . A 120 LYS CG . 18210 1 1374 . 1 1 120 120 LYS CD C 13 25.546 0.1 . 1 . . . A 120 LYS CD . 18210 1 1375 . 1 1 120 120 LYS CE C 13 41.992 0.1 . 1 . . . A 120 LYS CE . 18210 1 1376 . 1 1 121 121 LEU HA H 1 4.559 0.03 . 1 . . . A 121 LEU HA . 18210 1 1377 . 1 1 121 121 LEU HB3 H 1 1.197 0.03 . 1 . . . A 121 LEU HB3 . 18210 1 1378 . 1 1 121 121 LEU HG H 1 1.600 0.03 . 1 . . . A 121 LEU HG . 18210 1 1379 . 1 1 121 121 LEU HD11 H 1 0.513 0.03 . 1 . . . A 121 LEU HD11 . 18210 1 1380 . 1 1 121 121 LEU HD12 H 1 0.513 0.03 . 1 . . . A 121 LEU HD12 . 18210 1 1381 . 1 1 121 121 LEU HD13 H 1 0.513 0.03 . 1 . . . A 121 LEU HD13 . 18210 1 1382 . 1 1 121 121 LEU HD21 H 1 0.251 0.03 . 1 . . . A 121 LEU HD21 . 18210 1 1383 . 1 1 121 121 LEU HD22 H 1 0.251 0.03 . 1 . . . A 121 LEU HD22 . 18210 1 1384 . 1 1 121 121 LEU HD23 H 1 0.251 0.03 . 1 . . . A 121 LEU HD23 . 18210 1 1385 . 1 1 121 121 LEU C C 13 174.893 0.1 . 1 . . . A 121 LEU C . 18210 1 1386 . 1 1 121 121 LEU CA C 13 52.604 0.1 . 1 . . . A 121 LEU CA . 18210 1 1387 . 1 1 121 121 LEU CB C 13 39.606 0.1 . 1 . . . A 121 LEU CB . 18210 1 1388 . 1 1 121 121 LEU CG C 13 25.900 0.1 . 1 . . . A 121 LEU CG . 18210 1 1389 . 1 1 121 121 LEU CD1 C 13 23.109 0.1 . 1 . . . A 121 LEU CD1 . 18210 1 1390 . 1 1 121 121 LEU CD2 C 13 26.175 0.1 . 1 . . . A 121 LEU CD2 . 18210 1 1391 . 1 1 122 122 VAL HA H 1 4.361 0.03 . 1 . . . A 122 VAL HA . 18210 1 1392 . 1 1 122 122 VAL HB H 1 1.979 0.03 . 1 . . . A 122 VAL HB . 18210 1 1393 . 1 1 122 122 VAL HG11 H 1 0.638 0.03 . 1 . . . A 122 VAL HG11 . 18210 1 1394 . 1 1 122 122 VAL HG12 H 1 0.638 0.03 . 1 . . . A 122 VAL HG12 . 18210 1 1395 . 1 1 122 122 VAL HG13 H 1 0.638 0.03 . 1 . . . A 122 VAL HG13 . 18210 1 1396 . 1 1 122 122 VAL HG21 H 1 0.628 0.03 . 1 . . . A 122 VAL HG21 . 18210 1 1397 . 1 1 122 122 VAL HG22 H 1 0.628 0.03 . 1 . . . A 122 VAL HG22 . 18210 1 1398 . 1 1 122 122 VAL HG23 H 1 0.628 0.03 . 1 . . . A 122 VAL HG23 . 18210 1 1399 . 1 1 122 122 VAL C C 13 173.909 0.1 . 1 . . . A 122 VAL C . 18210 1 1400 . 1 1 122 122 VAL CA C 13 62.028 0.1 . 1 . . . A 122 VAL CA . 18210 1 1401 . 1 1 122 122 VAL CB C 13 33.594 0.1 . 1 . . . A 122 VAL CB . 18210 1 1402 . 1 1 122 122 VAL CG1 C 13 20.353 0.1 . 1 . . . A 122 VAL CG1 . 18210 1 1403 . 1 1 122 122 VAL CG2 C 13 21.240 0.1 . 1 . . . A 122 VAL CG2 . 18210 1 1404 . 1 1 123 123 PHE HA H 1 5.175 0.03 . 1 . . . A 123 PHE HA . 18210 1 1405 . 1 1 123 123 PHE HB3 H 1 2.172 0.03 . 1 . . . A 123 PHE HB3 . 18210 1 1406 . 1 1 123 123 PHE HD1 H 1 6.966 0.03 . 3 . . . A 123 PHE HD1 . 18210 1 1407 . 1 1 123 123 PHE HD2 H 1 6.966 0.03 . 3 . . . A 123 PHE HD2 . 18210 1 1408 . 1 1 123 123 PHE HE1 H 1 6.728 0.03 . 3 . . . A 123 PHE HE1 . 18210 1 1409 . 1 1 123 123 PHE HE2 H 1 6.728 0.03 . 3 . . . A 123 PHE HE2 . 18210 1 1410 . 1 1 123 123 PHE HZ H 1 7.280 0.03 . 1 . . . A 123 PHE HZ . 18210 1 1411 . 1 1 123 123 PHE C C 13 173.230 0.1 . 1 . . . A 123 PHE C . 18210 1 1412 . 1 1 123 123 PHE CA C 13 56.314 0.1 . 1 . . . A 123 PHE CA . 18210 1 1413 . 1 1 123 123 PHE CB C 13 40.832 0.1 . 1 . . . A 123 PHE CB . 18210 1 1414 . 1 1 123 123 PHE CD1 C 13 132.490 0.1 . 3 . . . A 123 PHE CD1 . 18210 1 1415 . 1 1 123 123 PHE CD2 C 13 132.490 0.1 . 3 . . . A 123 PHE CD2 . 18210 1 1416 . 1 1 123 123 PHE CE1 C 13 130.579 0.1 . 3 . . . A 123 PHE CE1 . 18210 1 1417 . 1 1 123 123 PHE CE2 C 13 130.579 0.1 . 3 . . . A 123 PHE CE2 . 18210 1 1418 . 1 1 123 123 PHE CZ C 13 130.530 0.1 . 1 . . . A 123 PHE CZ . 18210 1 1419 . 1 1 124 124 THR H H 1 8.493 0.03 . 1 . . . A 124 THR H . 18210 1 1420 . 1 1 124 124 THR HA H 1 4.885 0.03 . 1 . . . A 124 THR HA . 18210 1 1421 . 1 1 124 124 THR HB H 1 3.752 0.03 . 1 . . . A 124 THR HB . 18210 1 1422 . 1 1 124 124 THR HG21 H 1 0.917 0.03 . 1 . . . A 124 THR HG21 . 18210 1 1423 . 1 1 124 124 THR HG22 H 1 0.917 0.03 . 1 . . . A 124 THR HG22 . 18210 1 1424 . 1 1 124 124 THR HG23 H 1 0.917 0.03 . 1 . . . A 124 THR HG23 . 18210 1 1425 . 1 1 124 124 THR C C 13 170.874 0.1 . 1 . . . A 124 THR C . 18210 1 1426 . 1 1 124 124 THR CA C 13 60.087 0.1 . 1 . . . A 124 THR CA . 18210 1 1427 . 1 1 124 124 THR CB C 13 70.942 0.1 . 1 . . . A 124 THR CB . 18210 1 1428 . 1 1 124 124 THR CG2 C 13 21.004 0.1 . 1 . . . A 124 THR CG2 . 18210 1 1429 . 1 1 124 124 THR N N 15 121.688 0.1 . 1 . . . A 124 THR N . 18210 1 1430 . 1 1 125 125 VAL H H 1 8.275 0.03 . 1 . . . A 125 VAL H . 18210 1 1431 . 1 1 125 125 VAL HA H 1 4.516 0.03 . 1 . . . A 125 VAL HA . 18210 1 1432 . 1 1 125 125 VAL HB H 1 0.644 0.03 . 1 . . . A 125 VAL HB . 18210 1 1433 . 1 1 125 125 VAL HG11 H 1 0.706 0.03 . 1 . . . A 125 VAL HG11 . 18210 1 1434 . 1 1 125 125 VAL HG12 H 1 0.706 0.03 . 1 . . . A 125 VAL HG12 . 18210 1 1435 . 1 1 125 125 VAL HG13 H 1 0.706 0.03 . 1 . . . A 125 VAL HG13 . 18210 1 1436 . 1 1 125 125 VAL HG21 H 1 0.424 0.03 . 1 . . . A 125 VAL HG21 . 18210 1 1437 . 1 1 125 125 VAL HG22 H 1 0.424 0.03 . 1 . . . A 125 VAL HG22 . 18210 1 1438 . 1 1 125 125 VAL HG23 H 1 0.424 0.03 . 1 . . . A 125 VAL HG23 . 18210 1 1439 . 1 1 125 125 VAL C C 13 173.796 0.1 . 1 . . . A 125 VAL C . 18210 1 1440 . 1 1 125 125 VAL CA C 13 59.792 0.1 . 1 . . . A 125 VAL CA . 18210 1 1441 . 1 1 125 125 VAL CB C 13 33.234 0.1 . 1 . . . A 125 VAL CB . 18210 1 1442 . 1 1 125 125 VAL CG1 C 13 21.244 0.1 . 1 . . . A 125 VAL CG1 . 18210 1 1443 . 1 1 125 125 VAL CG2 C 13 23.903 0.1 . 1 . . . A 125 VAL CG2 . 18210 1 1444 . 1 1 125 125 VAL N N 15 125.781 0.1 . 1 . . . A 125 VAL N . 18210 1 1445 . 1 1 126 126 GLU H H 1 8.262 0.03 . 1 . . . A 126 GLU H . 18210 1 1446 . 1 1 126 126 GLU HA H 1 4.889 0.03 . 1 . . . A 126 GLU HA . 18210 1 1447 . 1 1 126 126 GLU HB3 H 1 1.830 0.03 . 1 . . . A 126 GLU HB3 . 18210 1 1448 . 1 1 126 126 GLU HG3 H 1 2.016 0.03 . 1 . . . A 126 GLU HG3 . 18210 1 1449 . 1 1 126 126 GLU C C 13 173.519 0.1 . 1 . . . A 126 GLU C . 18210 1 1450 . 1 1 126 126 GLU CA C 13 53.966 0.1 . 1 . . . A 126 GLU CA . 18210 1 1451 . 1 1 126 126 GLU CB C 13 32.962 0.1 . 1 . . . A 126 GLU CB . 18210 1 1452 . 1 1 126 126 GLU CG C 13 35.406 0.1 . 1 . . . A 126 GLU CG . 18210 1 1453 . 1 1 127 127 ALA H H 1 7.987 0.03 . 1 . . . A 127 ALA H . 18210 1 1454 . 1 1 127 127 ALA HA H 1 4.291 0.03 . 1 . . . A 127 ALA HA . 18210 1 1455 . 1 1 127 127 ALA HB1 H 1 0.855 0.03 . 1 . . . A 127 ALA HB1 . 18210 1 1456 . 1 1 127 127 ALA HB2 H 1 0.855 0.03 . 1 . . . A 127 ALA HB2 . 18210 1 1457 . 1 1 127 127 ALA HB3 H 1 0.855 0.03 . 1 . . . A 127 ALA HB3 . 18210 1 1458 . 1 1 127 127 ALA CA C 13 52.568 0.1 . 1 . . . A 127 ALA CA . 18210 1 1459 . 1 1 127 127 ALA CB C 13 20.963 0.1 . 1 . . . A 127 ALA CB . 18210 1 1460 . 1 1 127 127 ALA N N 15 129.764 0.1 . 1 . . . A 127 ALA N . 18210 1 stop_ save_