data_16428 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16428 _Entry.Title ; The structure of the KlcA and ArdB proteins show a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-28 _Entry.Accession_date 2009-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR derived solution structure of KlcA' _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 Dimitra Serfiotis-Mitsa . . . 16428 2 Andrew Herbert . P. . 16428 3 Gareth Roberts . A. . 16428 4 Dinesh Soares . C. . 16428 5 John White . H. . 16428 6 Garry Blakely . W. . 16428 7 Dusan Uhrin . . . 16428 8 David Dryden . T.F. . 16428 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'Accelerated Technologies Center for Gene to 3D Structure' . 16428 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Anti-restriction . 16428 ArdB . 16428 KlcA . 16428 'NMR spectroscopy' . 16428 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16428 RDCs 1 16428 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 559 16428 '15N chemical shifts' 149 16428 '1H chemical shifts' 897 16428 'residual dipolar couplings' 110 16428 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 3 . . 2010-05-28 2009-07-28 update BMRB 'edit entity/assembly name' 16428 2 . . 2010-03-18 2009-07-28 update BMRB 'complete entry citation' 16428 1 . . 2010-02-02 2009-07-28 original author 'original release' 16428 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16428 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20007596 _Citation.Full_citation . _Citation.Title 'The structure of the KlcA and ArdB proteins reveals a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 38 _Citation.Journal_issue 5 _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 1723 _Citation.Page_last 1737 _Citation.Year 2010 _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 Dimitra Serfiotis-Mitsa . . . 16428 1 2 Andrew Herbert . P. . 16428 1 3 Gareth Roberts . A. . 16428 1 4 Dinesh Soares . C. . 16428 1 5 John White . H. . 16428 1 6 Garry Blakely . W. . 16428 1 7 Dusan Uhrin . . . 16428 1 8 David Dryden . T.F. . 16428 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 16428 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20007596 _Citation.Full_citation . _Citation.Title 'The structure of the KlcA and ArdB proteins reveals a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic acids research' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2009 _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 Dimitra Serfiotis-Mitsa . . . 16428 2 2 Andrew Herbert . P. . 16428 2 3 Gareth Roberts . A. . 16428 2 4 Dinesh Soares . C. . 16428 2 5 John White . H. . 16428 2 6 Garry Blakely . W. . 16428 2 7 Dusan Uhrin . . . 16428 2 8 David Dryden . T.F. . 16428 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16428 _Assembly.ID 1 _Assembly.Name 'KlcA and ArdB proteins' _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 'KlcA and ArdB proteins' 1 $entity A . yes native no no . . . 16428 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16428 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KlcA and ArdB proteins' _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 ; MNTEEQPVTASLVAEAQRLD FLPTYFGPRLMMRGEALVYA WMRRLCERYNGAYWHYYALS DGGFYMAPDLAGRLEIEVNG NGFRGELSADAAGIVATLFA LGQLAAEIADTDAADALIDR YHFLRGFAAGHPEAAAIYRA ID ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes EMBL BAF33451.1 . KlcA . . . . . . . . . . . . . . 16428 1 2 yes UNP Q08L07 . KlcA . . . . . . . . . . . . . . 16428 1 3 no PDB 2KMG . "The Structure Of The Klca And Ardb Proteins Show A Novel Fold And Antirestriction Activity Against Type I Dna Restriction Syste" . . . . . 100.00 142 100.00 100.00 2.64e-96 . . . . 16428 1 4 no DBJ BAF33451 . "KlcA [Bordetella pertussis]" . . . . . 100.00 142 100.00 100.00 2.64e-96 . . . . 16428 1 5 no REF WP_011666376 . "antirestriction protein [Bordetella pertussis]" . . . . . 100.00 142 100.00 100.00 2.64e-96 . . . . 16428 1 6 no REF YP_787932 . "KlcA [Bordetella pertussis]" . . . . . 100.00 142 100.00 100.00 2.64e-96 . . . . 16428 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 . MET . 16428 1 2 . ASN . 16428 1 3 . THR . 16428 1 4 . GLU . 16428 1 5 . GLU . 16428 1 6 . GLN . 16428 1 7 . PRO . 16428 1 8 . VAL . 16428 1 9 . THR . 16428 1 10 . ALA . 16428 1 11 . SER . 16428 1 12 . LEU . 16428 1 13 . VAL . 16428 1 14 . ALA . 16428 1 15 . GLU . 16428 1 16 . ALA . 16428 1 17 . GLN . 16428 1 18 . ARG . 16428 1 19 . LEU . 16428 1 20 . ASP . 16428 1 21 . PHE . 16428 1 22 . LEU . 16428 1 23 . PRO . 16428 1 24 . THR . 16428 1 25 . TYR . 16428 1 26 . PHE . 16428 1 27 . GLY . 16428 1 28 . PRO . 16428 1 29 . ARG . 16428 1 30 . LEU . 16428 1 31 . MET . 16428 1 32 . MET . 16428 1 33 . ARG . 16428 1 34 . GLY . 16428 1 35 . GLU . 16428 1 36 . ALA . 16428 1 37 . LEU . 16428 1 38 . VAL . 16428 1 39 . TYR . 16428 1 40 . ALA . 16428 1 41 . TRP . 16428 1 42 . MET . 16428 1 43 . ARG . 16428 1 44 . ARG . 16428 1 45 . LEU . 16428 1 46 . CYS . 16428 1 47 . GLU . 16428 1 48 . ARG . 16428 1 49 . TYR . 16428 1 50 . ASN . 16428 1 51 . GLY . 16428 1 52 . ALA . 16428 1 53 . TYR . 16428 1 54 . TRP . 16428 1 55 . HIS . 16428 1 56 . TYR . 16428 1 57 . TYR . 16428 1 58 . ALA . 16428 1 59 . LEU . 16428 1 60 . SER . 16428 1 61 . ASP . 16428 1 62 . GLY . 16428 1 63 . GLY . 16428 1 64 . PHE . 16428 1 65 . TYR . 16428 1 66 . MET . 16428 1 67 . ALA . 16428 1 68 . PRO . 16428 1 69 . ASP . 16428 1 70 . LEU . 16428 1 71 . ALA . 16428 1 72 . GLY . 16428 1 73 . ARG . 16428 1 74 . LEU . 16428 1 75 . GLU . 16428 1 76 . ILE . 16428 1 77 . GLU . 16428 1 78 . VAL . 16428 1 79 . ASN . 16428 1 80 . GLY . 16428 1 81 . ASN . 16428 1 82 . GLY . 16428 1 83 . PHE . 16428 1 84 . ARG . 16428 1 85 . GLY . 16428 1 86 . GLU . 16428 1 87 . LEU . 16428 1 88 . SER . 16428 1 89 . ALA . 16428 1 90 . ASP . 16428 1 91 . ALA . 16428 1 92 . ALA . 16428 1 93 . GLY . 16428 1 94 . ILE . 16428 1 95 . VAL . 16428 1 96 . ALA . 16428 1 97 . THR . 16428 1 98 . LEU . 16428 1 99 . PHE . 16428 1 100 . ALA . 16428 1 101 . LEU . 16428 1 102 . GLY . 16428 1 103 . GLN . 16428 1 104 . LEU . 16428 1 105 . ALA . 16428 1 106 . ALA . 16428 1 107 . GLU . 16428 1 108 . ILE . 16428 1 109 . ALA . 16428 1 110 . ASP . 16428 1 111 . THR . 16428 1 112 . ASP . 16428 1 113 . ALA . 16428 1 114 . ALA . 16428 1 115 . ASP . 16428 1 116 . ALA . 16428 1 117 . LEU . 16428 1 118 . ILE . 16428 1 119 . ASP . 16428 1 120 . ARG . 16428 1 121 . TYR . 16428 1 122 . HIS . 16428 1 123 . PHE . 16428 1 124 . LEU . 16428 1 125 . ARG . 16428 1 126 . GLY . 16428 1 127 . PHE . 16428 1 128 . ALA . 16428 1 129 . ALA . 16428 1 130 . GLY . 16428 1 131 . HIS . 16428 1 132 . PRO . 16428 1 133 . GLU . 16428 1 134 . ALA . 16428 1 135 . ALA . 16428 1 136 . ALA . 16428 1 137 . ILE . 16428 1 138 . TYR . 16428 1 139 . ARG . 16428 1 140 . ALA . 16428 1 141 . ILE . 16428 1 142 . ASP . 16428 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16428 1 . ASN 2 2 16428 1 . THR 3 3 16428 1 . GLU 4 4 16428 1 . GLU 5 5 16428 1 . GLN 6 6 16428 1 . PRO 7 7 16428 1 . VAL 8 8 16428 1 . THR 9 9 16428 1 . ALA 10 10 16428 1 . SER 11 11 16428 1 . LEU 12 12 16428 1 . VAL 13 13 16428 1 . ALA 14 14 16428 1 . GLU 15 15 16428 1 . ALA 16 16 16428 1 . GLN 17 17 16428 1 . ARG 18 18 16428 1 . LEU 19 19 16428 1 . ASP 20 20 16428 1 . PHE 21 21 16428 1 . LEU 22 22 16428 1 . PRO 23 23 16428 1 . THR 24 24 16428 1 . TYR 25 25 16428 1 . PHE 26 26 16428 1 . GLY 27 27 16428 1 . PRO 28 28 16428 1 . ARG 29 29 16428 1 . LEU 30 30 16428 1 . MET 31 31 16428 1 . MET 32 32 16428 1 . ARG 33 33 16428 1 . GLY 34 34 16428 1 . GLU 35 35 16428 1 . ALA 36 36 16428 1 . LEU 37 37 16428 1 . VAL 38 38 16428 1 . TYR 39 39 16428 1 . ALA 40 40 16428 1 . TRP 41 41 16428 1 . MET 42 42 16428 1 . ARG 43 43 16428 1 . ARG 44 44 16428 1 . LEU 45 45 16428 1 . CYS 46 46 16428 1 . GLU 47 47 16428 1 . ARG 48 48 16428 1 . TYR 49 49 16428 1 . ASN 50 50 16428 1 . GLY 51 51 16428 1 . ALA 52 52 16428 1 . TYR 53 53 16428 1 . TRP 54 54 16428 1 . HIS 55 55 16428 1 . TYR 56 56 16428 1 . TYR 57 57 16428 1 . ALA 58 58 16428 1 . LEU 59 59 16428 1 . SER 60 60 16428 1 . ASP 61 61 16428 1 . GLY 62 62 16428 1 . GLY 63 63 16428 1 . PHE 64 64 16428 1 . TYR 65 65 16428 1 . MET 66 66 16428 1 . ALA 67 67 16428 1 . PRO 68 68 16428 1 . ASP 69 69 16428 1 . LEU 70 70 16428 1 . ALA 71 71 16428 1 . GLY 72 72 16428 1 . ARG 73 73 16428 1 . LEU 74 74 16428 1 . GLU 75 75 16428 1 . ILE 76 76 16428 1 . GLU 77 77 16428 1 . VAL 78 78 16428 1 . ASN 79 79 16428 1 . GLY 80 80 16428 1 . ASN 81 81 16428 1 . GLY 82 82 16428 1 . PHE 83 83 16428 1 . ARG 84 84 16428 1 . GLY 85 85 16428 1 . GLU 86 86 16428 1 . LEU 87 87 16428 1 . SER 88 88 16428 1 . ALA 89 89 16428 1 . ASP 90 90 16428 1 . ALA 91 91 16428 1 . ALA 92 92 16428 1 . GLY 93 93 16428 1 . ILE 94 94 16428 1 . VAL 95 95 16428 1 . ALA 96 96 16428 1 . THR 97 97 16428 1 . LEU 98 98 16428 1 . PHE 99 99 16428 1 . ALA 100 100 16428 1 . LEU 101 101 16428 1 . GLY 102 102 16428 1 . GLN 103 103 16428 1 . LEU 104 104 16428 1 . ALA 105 105 16428 1 . ALA 106 106 16428 1 . GLU 107 107 16428 1 . ILE 108 108 16428 1 . ALA 109 109 16428 1 . ASP 110 110 16428 1 . THR 111 111 16428 1 . ASP 112 112 16428 1 . ALA 113 113 16428 1 . ALA 114 114 16428 1 . ASP 115 115 16428 1 . ALA 116 116 16428 1 . LEU 117 117 16428 1 . ILE 118 118 16428 1 . ASP 119 119 16428 1 . ARG 120 120 16428 1 . TYR 121 121 16428 1 . HIS 122 122 16428 1 . PHE 123 123 16428 1 . LEU 124 124 16428 1 . ARG 125 125 16428 1 . GLY 126 126 16428 1 . PHE 127 127 16428 1 . ALA 128 128 16428 1 . ALA 129 129 16428 1 . GLY 130 130 16428 1 . HIS 131 131 16428 1 . PRO 132 132 16428 1 . GLU 133 133 16428 1 . ALA 134 134 16428 1 . ALA 135 135 16428 1 . ALA 136 136 16428 1 . ILE 137 137 16428 1 . TYR 138 138 16428 1 . ARG 139 139 16428 1 . ALA 140 140 16428 1 . ILE 141 141 16428 1 . ASP 142 142 16428 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 16428 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 520 organism . 'Bordetella pertussis' 'B. pertussis' . . Bacteria . Bordetella pertussis . . . . . . . . . . . . . . . . KlcA . 'Plasmid pBP136' . . 16428 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 16428 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET-24a . . . . . . 16428 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16428 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KlcA '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 16428 1 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 16428 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16428 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16428 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16428 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16428 _Sample.ID 2 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KlcA '[U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 16428 2 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 16428 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16428 2 4 'Pf1 phage' 'natural abundance' . . . . . . 6.25 . . mg . . . . 16428 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16428 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16428 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16428 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KlcA '[U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 16428 3 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 16428 3 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16428 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16428 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16428 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16428 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 16428 1 pH 6.0 0.2 pH 16428 1 pressure 1 . atm 16428 1 temperature 298 0.2 K 16428 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16428 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16428 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16428 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16428 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16428 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16428 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16428 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16428 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16428 3 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 16428 _Software.ID 4 _Software.Name ANALYSIS _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16428 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16428 4 'data analysis' 16428 4 'peak picking' 16428 4 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 16428 _Software.ID 5 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 16428 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16428 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16428 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16428 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Validation' 16428 6 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 16428 _Software.ID 7 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 16428 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Validation' 16428 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16428 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16428 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16428 8 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 16428 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16428 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16428 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16428 1 2 spectrometer_2 Bruker Avance . 600 . . . 16428 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 16428 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 6 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 8 '2D 1H-13C HSQC (Aromatic Selective)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 10 '3D C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 15 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 16 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 1 17 T1 no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16428 1 18 T2 no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16428 1 19 'Heteronuclear NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16428 1 20 'IPAP for RDC measurement' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16428 1 21 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16428 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 16428 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.2514495270 . . . . . . . . . 16428 1 H 1 water protons . . . . ppm 4.768 internal direct 1.0000000000 . . . . . . . . . 16428 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.1013291180 . . . . . . . . . 16428 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 16428 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16428 1 2 '3D CBCA(CO)NH' . . . 16428 1 3 '3D CBCANH' . . . 16428 1 4 '3D HNCO' . . . 16428 1 6 '3D HBHANH' . . . 16428 1 7 '3D HBHA(CO)NH' . . . 16428 1 8 '2D 1H-13C HSQC (Aromatic Selective)' . . . 16428 1 9 '3D H(CCO)NH' . . . 16428 1 10 '3D C(CCO)NH' . . . 16428 1 11 '3D HCCH-TOCSY' . . . 16428 1 12 '2D 1H-13C HSQC' . . . 16428 1 15 '2D HBCBCGCDHD' . . . 16428 1 18 T2 . . . 16428 1 21 '2D 1H-13C HSQC' . . . 16428 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CCPNMR_Analysis . . 16428 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.814 0.012 . 1 . . . . 2 Asn HA . 16428 1 2 . 1 1 2 2 ASN HB2 H 1 2.789 0.012 . 2 . . . . 2 Asn HB2 . 16428 1 3 . 1 1 2 2 ASN HB3 H 1 2.886 0.003 . 2 . . . . 2 Asn HB3 . 16428 1 4 . 1 1 2 2 ASN HD21 H 1 6.968 0.003 . 1 . . . . 2 Asn HD21 . 16428 1 5 . 1 1 2 2 ASN HD22 H 1 7.644 0.002 . 1 . . . . 2 Asn HD22 . 16428 1 6 . 1 1 2 2 ASN C C 13 175.283 0.021 . 1 . . . . 2 Asn C . 16428 1 7 . 1 1 2 2 ASN CA C 13 53.380 0.028 . 1 . . . . 2 Asn CA . 16428 1 8 . 1 1 2 2 ASN CB C 13 38.776 0.068 . 1 . . . . 2 Asn CB . 16428 1 9 . 1 1 2 2 ASN CG C 13 176.894 0.011 . 1 . . . . 2 Asn CG . 16428 1 10 . 1 1 2 2 ASN ND2 N 15 113.122 0.001 . 1 . . . . 2 Asn ND2 . 16428 1 11 . 1 1 3 3 THR H H 1 8.313 0.002 . 1 . . . . 3 Thr H . 16428 1 12 . 1 1 3 3 THR HA H 1 4.267 0.009 . 1 . . . . 3 Thr HA . 16428 1 13 . 1 1 3 3 THR HG21 H 1 1.174 0.010 . 1 . . . . 3 Thr HG21 . 16428 1 14 . 1 1 3 3 THR HG22 H 1 1.174 0.010 . 1 . . . . 3 Thr HG22 . 16428 1 15 . 1 1 3 3 THR HG23 H 1 1.174 0.010 . 1 . . . . 3 Thr HG23 . 16428 1 16 . 1 1 3 3 THR C C 13 174.675 0.002 . 1 . . . . 3 Thr C . 16428 1 17 . 1 1 3 3 THR CA C 13 62.289 0.057 . 1 . . . . 3 Thr CA . 16428 1 18 . 1 1 3 3 THR CB C 13 69.710 0.058 . 1 . . . . 3 Thr CB . 16428 1 19 . 1 1 3 3 THR CG2 C 13 21.654 0.022 . 1 . . . . 3 Thr CG2 . 16428 1 20 . 1 1 3 3 THR N N 15 114.993 0.011 . 1 . . . . 3 Thr N . 16428 1 21 . 1 1 4 4 GLU H H 1 8.452 0.002 . 1 . . . . 4 Glu H . 16428 1 22 . 1 1 4 4 GLU HA H 1 4.260 0.011 . 1 . . . . 4 Glu HA . 16428 1 23 . 1 1 4 4 GLU HB2 H 1 1.913 0.007 . 2 . . . . 4 Glu HB2 . 16428 1 24 . 1 1 4 4 GLU HB3 H 1 2.037 0.010 . 2 . . . . 4 Glu HB3 . 16428 1 25 . 1 1 4 4 GLU HG2 H 1 2.230 0.003 . 1 . . . . 4 Glu HG2 . 16428 1 26 . 1 1 4 4 GLU HG3 H 1 2.230 0.003 . 1 . . . . 4 Glu HG3 . 16428 1 27 . 1 1 4 4 GLU C C 13 176.430 0.013 . 1 . . . . 4 Glu C . 16428 1 28 . 1 1 4 4 GLU CA C 13 56.726 0.030 . 1 . . . . 4 Glu CA . 16428 1 29 . 1 1 4 4 GLU CB C 13 30.113 0.061 . 1 . . . . 4 Glu CB . 16428 1 30 . 1 1 4 4 GLU CG C 13 36.308 0.014 . 1 . . . . 4 Glu CG . 16428 1 31 . 1 1 4 4 GLU N N 15 122.210 0.036 . 1 . . . . 4 Glu N . 16428 1 32 . 1 1 5 5 GLU H H 1 8.248 0.002 . 1 . . . . 5 Glu H . 16428 1 33 . 1 1 5 5 GLU HA H 1 4.221 0.010 . 1 . . . . 5 Glu HA . 16428 1 34 . 1 1 5 5 GLU HB2 H 1 1.882 0.003 . 2 . . . . 5 Glu HB2 . 16428 1 35 . 1 1 5 5 GLU HB3 H 1 1.996 0.002 . 2 . . . . 5 Glu HB3 . 16428 1 36 . 1 1 5 5 GLU HG2 H 1 2.201 0.010 . 1 . . . . 5 Glu HG2 . 16428 1 37 . 1 1 5 5 GLU HG3 H 1 2.201 0.010 . 1 . . . . 5 Glu HG3 . 16428 1 38 . 1 1 5 5 GLU C C 13 176.128 0.012 . 1 . . . . 5 Glu C . 16428 1 39 . 1 1 5 5 GLU CA C 13 56.467 0.043 . 1 . . . . 5 Glu CA . 16428 1 40 . 1 1 5 5 GLU CB C 13 30.329 0.022 . 1 . . . . 5 Glu CB . 16428 1 41 . 1 1 5 5 GLU CG C 13 36.533 0.017 . 1 . . . . 5 Glu CG . 16428 1 42 . 1 1 5 5 GLU N N 15 121.390 0.005 . 1 . . . . 5 Glu N . 16428 1 43 . 1 1 6 6 GLN H H 1 8.305 0.001 . 1 . . . . 6 Gln H . 16428 1 44 . 1 1 6 6 GLN HA H 1 4.600 0.006 . 1 . . . . 6 Gln HA . 16428 1 45 . 1 1 6 6 GLN HB2 H 1 1.892 0.004 . 2 . . . . 6 Gln HB2 . 16428 1 46 . 1 1 6 6 GLN HB3 H 1 2.056 0.009 . 2 . . . . 6 Gln HB3 . 16428 1 47 . 1 1 6 6 GLN HE21 H 1 6.848 0.002 . 1 . . . . 6 Gln HE21 . 16428 1 48 . 1 1 6 6 GLN HE22 H 1 7.507 0.002 . 1 . . . . 6 Gln HE22 . 16428 1 49 . 1 1 6 6 GLN HG2 H 1 2.351 0.002 . 2 . . . . 6 Gln HG2 . 16428 1 50 . 1 1 6 6 GLN HG3 H 1 2.351 0.002 . 2 . . . . 6 Gln HG3 . 16428 1 51 . 1 1 6 6 GLN C C 13 173.711 0.000 . 1 . . . . 6 Gln C . 16428 1 52 . 1 1 6 6 GLN CA C 13 53.365 0.049 . 1 . . . . 6 Gln CA . 16428 1 53 . 1 1 6 6 GLN CB C 13 29.035 0.068 . 1 . . . . 6 Gln CB . 16428 1 54 . 1 1 6 6 GLN CD C 13 180.630 0.001 . 1 . . . . 6 Gln CD . 16428 1 55 . 1 1 6 6 GLN CG C 13 33.532 0.039 . 1 . . . . 6 Gln CG . 16428 1 56 . 1 1 6 6 GLN N N 15 122.149 0.021 . 1 . . . . 6 Gln N . 16428 1 57 . 1 1 6 6 GLN NE2 N 15 112.789 0.035 . 1 . . . . 6 Gln NE2 . 16428 1 58 . 1 1 7 7 PRO HA H 1 4.430 0.004 . 1 . . . . 7 Pro HA . 16428 1 59 . 1 1 7 7 PRO HB2 H 1 1.816 0.005 . 2 . . . . 7 Pro HB2 . 16428 1 60 . 1 1 7 7 PRO HB3 H 1 2.252 0.005 . 2 . . . . 7 Pro HB3 . 16428 1 61 . 1 1 7 7 PRO HD2 H 1 3.632 0.005 . 2 . . . . 7 Pro HD2 . 16428 1 62 . 1 1 7 7 PRO HD3 H 1 3.718 0.005 . 2 . . . . 7 Pro HD3 . 16428 1 63 . 1 1 7 7 PRO HG2 H 1 1.957 0.004 . 1 . . . . 7 Pro HG2 . 16428 1 64 . 1 1 7 7 PRO HG3 H 1 1.957 0.004 . 1 . . . . 7 Pro HG3 . 16428 1 65 . 1 1 7 7 PRO C C 13 176.465 0.012 . 1 . . . . 7 Pro C . 16428 1 66 . 1 1 7 7 PRO CA C 13 62.917 0.052 . 1 . . . . 7 Pro CA . 16428 1 67 . 1 1 7 7 PRO CB C 13 32.209 0.034 . 1 . . . . 7 Pro CB . 16428 1 68 . 1 1 7 7 PRO CD C 13 50.622 0.034 . 1 . . . . 7 Pro CD . 16428 1 69 . 1 1 7 7 PRO CG C 13 27.264 0.051 . 1 . . . . 7 Pro CG . 16428 1 70 . 1 1 8 8 VAL H H 1 8.444 0.003 . 1 . . . . 8 Val H . 16428 1 71 . 1 1 8 8 VAL HA H 1 3.845 0.006 . 1 . . . . 8 Val HA . 16428 1 72 . 1 1 8 8 VAL HB H 1 2.041 0.004 . 1 . . . . 8 Val HB . 16428 1 73 . 1 1 8 8 VAL HG11 H 1 1.035 0.006 . 1 . . . . 8 Val HG11 . 16428 1 74 . 1 1 8 8 VAL HG12 H 1 1.035 0.006 . 1 . . . . 8 Val HG12 . 16428 1 75 . 1 1 8 8 VAL HG13 H 1 1.035 0.006 . 1 . . . . 8 Val HG13 . 16428 1 76 . 1 1 8 8 VAL HG21 H 1 1.035 0.006 . 1 . . . . 8 Val HG21 . 16428 1 77 . 1 1 8 8 VAL HG22 H 1 1.035 0.006 . 1 . . . . 8 Val HG22 . 16428 1 78 . 1 1 8 8 VAL HG23 H 1 1.035 0.006 . 1 . . . . 8 Val HG23 . 16428 1 79 . 1 1 8 8 VAL C C 13 175.995 0.004 . 1 . . . . 8 Val C . 16428 1 80 . 1 1 8 8 VAL CA C 13 63.324 0.044 . 1 . . . . 8 Val CA . 16428 1 81 . 1 1 8 8 VAL CB C 13 32.595 0.048 . 1 . . . . 8 Val CB . 16428 1 82 . 1 1 8 8 VAL CG1 C 13 22.256 0.008 . 1 . . . . 8 Val CG1 . 16428 1 83 . 1 1 8 8 VAL CG2 C 13 22.256 0.008 . 1 . . . . 8 Val CG2 . 16428 1 84 . 1 1 8 8 VAL N N 15 123.332 0.037 . 1 . . . . 8 Val N . 16428 1 85 . 1 1 9 9 THR H H 1 8.400 0.003 . 1 . . . . 9 Thr H . 16428 1 86 . 1 1 9 9 THR HA H 1 4.763 0.007 . 1 . . . . 9 Thr HA . 16428 1 87 . 1 1 9 9 THR HB H 1 4.218 0.008 . 1 . . . . 9 Thr HB . 16428 1 88 . 1 1 9 9 THR HG21 H 1 1.158 0.012 . 1 . . . . 9 Thr HG21 . 16428 1 89 . 1 1 9 9 THR HG22 H 1 1.158 0.012 . 1 . . . . 9 Thr HG22 . 16428 1 90 . 1 1 9 9 THR HG23 H 1 1.158 0.012 . 1 . . . . 9 Thr HG23 . 16428 1 91 . 1 1 9 9 THR C C 13 172.944 0.009 . 1 . . . . 9 Thr C . 16428 1 92 . 1 1 9 9 THR CA C 13 59.675 0.074 . 1 . . . . 9 Thr CA . 16428 1 93 . 1 1 9 9 THR CB C 13 71.991 0.075 . 1 . . . . 9 Thr CB . 16428 1 94 . 1 1 9 9 THR CG2 C 13 21.920 0.000 . 1 . . . . 9 Thr CG2 . 16428 1 95 . 1 1 9 9 THR N N 15 117.335 0.024 . 1 . . . . 9 Thr N . 16428 1 96 . 1 1 10 10 ALA H H 1 8.914 0.002 . 1 . . . . 10 Ala H . 16428 1 97 . 1 1 10 10 ALA HA H 1 4.997 0.010 . 1 . . . . 10 Ala HA . 16428 1 98 . 1 1 10 10 ALA HB1 H 1 1.092 0.003 . 1 . . . . 10 Ala HB1 . 16428 1 99 . 1 1 10 10 ALA HB2 H 1 1.092 0.003 . 1 . . . . 10 Ala HB2 . 16428 1 100 . 1 1 10 10 ALA HB3 H 1 1.092 0.003 . 1 . . . . 10 Ala HB3 . 16428 1 101 . 1 1 10 10 ALA C C 13 177.124 0.003 . 1 . . . . 10 Ala C . 16428 1 102 . 1 1 10 10 ALA CA C 13 50.399 0.058 . 1 . . . . 10 Ala CA . 16428 1 103 . 1 1 10 10 ALA CB C 13 22.316 0.036 . 1 . . . . 10 Ala CB . 16428 1 104 . 1 1 10 10 ALA N N 15 123.694 0.023 . 1 . . . . 10 Ala N . 16428 1 105 . 1 1 11 11 SER H H 1 8.857 0.002 . 1 . . . . 11 Ser H . 16428 1 106 . 1 1 11 11 SER HA H 1 4.800 0.016 . 1 . . . . 11 Ser HA . 16428 1 107 . 1 1 11 11 SER HB2 H 1 3.721 0.005 . 2 . . . . 11 Ser HB2 . 16428 1 108 . 1 1 11 11 SER HB3 H 1 3.813 0.016 . 2 . . . . 11 Ser HB3 . 16428 1 109 . 1 1 11 11 SER C C 13 172.971 0.010 . 1 . . . . 11 Ser C . 16428 1 110 . 1 1 11 11 SER CA C 13 56.980 0.065 . 1 . . . . 11 Ser CA . 16428 1 111 . 1 1 11 11 SER CB C 13 65.285 0.044 . 1 . . . . 11 Ser CB . 16428 1 112 . 1 1 11 11 SER N N 15 117.050 0.024 . 1 . . . . 11 Ser N . 16428 1 113 . 1 1 12 12 LEU H H 1 8.693 0.002 . 1 . . . . 12 Leu H . 16428 1 114 . 1 1 12 12 LEU HA H 1 4.025 0.006 . 1 . . . . 12 Leu HA . 16428 1 115 . 1 1 12 12 LEU HB2 H 1 1.283 0.007 . 2 . . . . 12 Leu HB2 . 16428 1 116 . 1 1 12 12 LEU HB3 H 1 1.611 0.003 . 2 . . . . 12 Leu HB3 . 16428 1 117 . 1 1 12 12 LEU HD11 H 1 0.418 0.002 . 2 . . . . 12 Leu HD11 . 16428 1 118 . 1 1 12 12 LEU HD12 H 1 0.418 0.002 . 2 . . . . 12 Leu HD12 . 16428 1 119 . 1 1 12 12 LEU HD13 H 1 0.418 0.002 . 2 . . . . 12 Leu HD13 . 16428 1 120 . 1 1 12 12 LEU HD21 H 1 0.651 0.004 . 2 . . . . 12 Leu HD21 . 16428 1 121 . 1 1 12 12 LEU HD22 H 1 0.651 0.004 . 2 . . . . 12 Leu HD22 . 16428 1 122 . 1 1 12 12 LEU HD23 H 1 0.651 0.004 . 2 . . . . 12 Leu HD23 . 16428 1 123 . 1 1 12 12 LEU HG H 1 1.205 0.005 . 1 . . . . 12 Leu HG . 16428 1 124 . 1 1 12 12 LEU C C 13 177.142 0.011 . 1 . . . . 12 Leu C . 16428 1 125 . 1 1 12 12 LEU CA C 13 55.207 0.052 . 1 . . . . 12 Leu CA . 16428 1 126 . 1 1 12 12 LEU CB C 13 42.575 0.050 . 1 . . . . 12 Leu CB . 16428 1 127 . 1 1 12 12 LEU CD1 C 13 23.214 0.024 . 2 . . . . 12 Leu CD1 . 16428 1 128 . 1 1 12 12 LEU CD2 C 13 26.560 0.006 . 2 . . . . 12 Leu CD2 . 16428 1 129 . 1 1 12 12 LEU CG C 13 26.547 0.020 . 1 . . . . 12 Leu CG . 16428 1 130 . 1 1 12 12 LEU N N 15 128.957 0.011 . 1 . . . . 12 Leu N . 16428 1 131 . 1 1 13 13 VAL H H 1 8.670 0.003 . 1 . . . . 13 Val H . 16428 1 132 . 1 1 13 13 VAL HA H 1 3.741 0.008 . 1 . . . . 13 Val HA . 16428 1 133 . 1 1 13 13 VAL HB H 1 1.675 0.007 . 1 . . . . 13 Val HB . 16428 1 134 . 1 1 13 13 VAL HG11 H 1 0.976 0.005 . 1 . . . . 13 Val HG11 . 16428 1 135 . 1 1 13 13 VAL HG12 H 1 0.976 0.005 . 1 . . . . 13 Val HG12 . 16428 1 136 . 1 1 13 13 VAL HG13 H 1 0.976 0.005 . 1 . . . . 13 Val HG13 . 16428 1 137 . 1 1 13 13 VAL HG21 H 1 0.976 0.005 . 1 . . . . 13 Val HG21 . 16428 1 138 . 1 1 13 13 VAL HG22 H 1 0.976 0.005 . 1 . . . . 13 Val HG22 . 16428 1 139 . 1 1 13 13 VAL HG23 H 1 0.976 0.005 . 1 . . . . 13 Val HG23 . 16428 1 140 . 1 1 13 13 VAL C C 13 175.741 0.008 . 1 . . . . 13 Val C . 16428 1 141 . 1 1 13 13 VAL CA C 13 63.417 0.034 . 1 . . . . 13 Val CA . 16428 1 142 . 1 1 13 13 VAL CB C 13 32.269 0.062 . 1 . . . . 13 Val CB . 16428 1 143 . 1 1 13 13 VAL CG1 C 13 22.548 0.008 . 1 . . . . 13 Val CG1 . 16428 1 144 . 1 1 13 13 VAL CG2 C 13 22.548 0.008 . 1 . . . . 13 Val CG2 . 16428 1 145 . 1 1 13 13 VAL N N 15 132.084 0.011 . 1 . . . . 13 Val N . 16428 1 146 . 1 1 14 14 ALA H H 1 8.637 0.003 . 1 . . . . 14 Ala H . 16428 1 147 . 1 1 14 14 ALA HA H 1 4.199 0.009 . 1 . . . . 14 Ala HA . 16428 1 148 . 1 1 14 14 ALA HB1 H 1 1.526 0.006 . 1 . . . . 14 Ala HB1 . 16428 1 149 . 1 1 14 14 ALA HB2 H 1 1.526 0.006 . 1 . . . . 14 Ala HB2 . 16428 1 150 . 1 1 14 14 ALA HB3 H 1 1.526 0.006 . 1 . . . . 14 Ala HB3 . 16428 1 151 . 1 1 14 14 ALA C C 13 178.207 0.002 . 1 . . . . 14 Ala C . 16428 1 152 . 1 1 14 14 ALA CA C 13 51.953 0.030 . 1 . . . . 14 Ala CA . 16428 1 153 . 1 1 14 14 ALA CB C 13 19.508 0.065 . 1 . . . . 14 Ala CB . 16428 1 154 . 1 1 14 14 ALA N N 15 131.115 0.016 . 1 . . . . 14 Ala N . 16428 1 155 . 1 1 15 15 GLU H H 1 8.606 0.003 . 1 . . . . 15 Glu H . 16428 1 156 . 1 1 15 15 GLU HA H 1 3.682 0.006 . 1 . . . . 15 Glu HA . 16428 1 157 . 1 1 15 15 GLU HB2 H 1 1.983 0.007 . 2 . . . . 15 Glu HB2 . 16428 1 158 . 1 1 15 15 GLU HB3 H 1 2.142 0.007 . 2 . . . . 15 Glu HB3 . 16428 1 159 . 1 1 15 15 GLU HG2 H 1 2.284 0.003 . 2 . . . . 15 Glu HG2 . 16428 1 160 . 1 1 15 15 GLU HG3 H 1 2.284 0.003 . 2 . . . . 15 Glu HG3 . 16428 1 161 . 1 1 15 15 GLU C C 13 179.199 0.007 . 1 . . . . 15 Glu C . 16428 1 162 . 1 1 15 15 GLU CA C 13 60.566 0.050 . 1 . . . . 15 Glu CA . 16428 1 163 . 1 1 15 15 GLU CB C 13 29.417 0.070 . 1 . . . . 15 Glu CB . 16428 1 164 . 1 1 15 15 GLU CG C 13 35.838 0.066 . 1 . . . . 15 Glu CG . 16428 1 165 . 1 1 15 15 GLU N N 15 121.131 0.024 . 1 . . . . 15 Glu N . 16428 1 166 . 1 1 16 16 ALA H H 1 8.679 0.003 . 1 . . . . 16 Ala H . 16428 1 167 . 1 1 16 16 ALA HA H 1 4.193 0.008 . 1 . . . . 16 Ala HA . 16428 1 168 . 1 1 16 16 ALA HB1 H 1 1.437 0.001 . 1 . . . . 16 Ala HB1 . 16428 1 169 . 1 1 16 16 ALA HB2 H 1 1.437 0.001 . 1 . . . . 16 Ala HB2 . 16428 1 170 . 1 1 16 16 ALA HB3 H 1 1.437 0.001 . 1 . . . . 16 Ala HB3 . 16428 1 171 . 1 1 16 16 ALA C C 13 178.524 0.010 . 1 . . . . 16 Ala C . 16428 1 172 . 1 1 16 16 ALA CA C 13 54.556 0.064 . 1 . . . . 16 Ala CA . 16428 1 173 . 1 1 16 16 ALA CB C 13 18.459 0.008 . 1 . . . . 16 Ala CB . 16428 1 174 . 1 1 16 16 ALA N N 15 118.181 0.011 . 1 . . . . 16 Ala N . 16428 1 175 . 1 1 17 17 GLN H H 1 7.703 0.001 . 1 . . . . 17 Gln H . 16428 1 176 . 1 1 17 17 GLN HA H 1 4.615 0.015 . 1 . . . . 17 Gln HA . 16428 1 177 . 1 1 17 17 GLN HB2 H 1 2.070 0.007 . 2 . . . . 17 Gln HB2 . 16428 1 178 . 1 1 17 17 GLN HB3 H 1 2.386 0.012 . 2 . . . . 17 Gln HB3 . 16428 1 179 . 1 1 17 17 GLN HE21 H 1 6.844 0.002 . 1 . . . . 17 Gln HE21 . 16428 1 180 . 1 1 17 17 GLN HE22 H 1 7.666 0.002 . 1 . . . . 17 Gln HE22 . 16428 1 181 . 1 1 17 17 GLN HG2 H 1 2.369 0.008 . 2 . . . . 17 Gln HG2 . 16428 1 182 . 1 1 17 17 GLN HG3 H 1 2.503 0.003 . 2 . . . . 17 Gln HG3 . 16428 1 183 . 1 1 17 17 GLN C C 13 177.791 0.017 . 1 . . . . 17 Gln C . 16428 1 184 . 1 1 17 17 GLN CA C 13 56.541 0.027 . 1 . . . . 17 Gln CA . 16428 1 185 . 1 1 17 17 GLN CB C 13 30.252 0.066 . 1 . . . . 17 Gln CB . 16428 1 186 . 1 1 17 17 GLN CD C 13 180.621 0.013 . 1 . . . . 17 Gln CD . 16428 1 187 . 1 1 17 17 GLN CG C 13 35.571 0.038 . 1 . . . . 17 Gln CG . 16428 1 188 . 1 1 17 17 GLN N N 15 114.795 0.017 . 1 . . . . 17 Gln N . 16428 1 189 . 1 1 17 17 GLN NE2 N 15 113.221 0.025 . 1 . . . . 17 Gln NE2 . 16428 1 190 . 1 1 18 18 ARG H H 1 7.792 0.003 . 1 . . . . 18 Arg H . 16428 1 191 . 1 1 18 18 ARG HA H 1 3.906 0.006 . 1 . . . . 18 Arg HA . 16428 1 192 . 1 1 18 18 ARG HB2 H 1 1.839 0.007 . 2 . . . . 18 Arg HB2 . 16428 1 193 . 1 1 18 18 ARG HB3 H 1 2.098 0.008 . 2 . . . . 18 Arg HB3 . 16428 1 194 . 1 1 18 18 ARG HD2 H 1 3.069 0.004 . 2 . . . . 18 Arg HD2 . 16428 1 195 . 1 1 18 18 ARG HD3 H 1 3.201 0.007 . 2 . . . . 18 Arg HD3 . 16428 1 196 . 1 1 18 18 ARG HE H 1 7.280 0.002 . 1 . . . . 18 Arg HE . 16428 1 197 . 1 1 18 18 ARG HG2 H 1 1.280 0.004 . 1 . . . . 18 Arg HG2 . 16428 1 198 . 1 1 18 18 ARG HG3 H 1 1.280 0.004 . 1 . . . . 18 Arg HG3 . 16428 1 199 . 1 1 18 18 ARG C C 13 179.014 0.010 . 1 . . . . 18 Arg C . 16428 1 200 . 1 1 18 18 ARG CA C 13 61.285 0.071 . 1 . . . . 18 Arg CA . 16428 1 201 . 1 1 18 18 ARG CB C 13 30.780 0.041 . 1 . . . . 18 Arg CB . 16428 1 202 . 1 1 18 18 ARG CD C 13 43.266 0.006 . 1 . . . . 18 Arg CD . 16428 1 203 . 1 1 18 18 ARG CG C 13 28.598 0.032 . 1 . . . . 18 Arg CG . 16428 1 204 . 1 1 18 18 ARG N N 15 122.115 0.040 . 1 . . . . 18 Arg N . 16428 1 205 . 1 1 18 18 ARG NE N 15 83.909 0.022 . 1 . . . . 18 Arg NE . 16428 1 206 . 1 1 19 19 LEU H H 1 8.179 0.002 . 1 . . . . 19 Leu H . 16428 1 207 . 1 1 19 19 LEU HA H 1 4.229 0.006 . 1 . . . . 19 Leu HA . 16428 1 208 . 1 1 19 19 LEU HB2 H 1 1.642 0.005 . 2 . . . . 19 Leu HB2 . 16428 1 209 . 1 1 19 19 LEU HB3 H 1 1.804 0.012 . 2 . . . . 19 Leu HB3 . 16428 1 210 . 1 1 19 19 LEU HD11 H 1 0.936 0.003 . 2 . . . . 19 Leu HD11 . 16428 1 211 . 1 1 19 19 LEU HD12 H 1 0.936 0.003 . 2 . . . . 19 Leu HD12 . 16428 1 212 . 1 1 19 19 LEU HD13 H 1 0.936 0.003 . 2 . . . . 19 Leu HD13 . 16428 1 213 . 1 1 19 19 LEU HD21 H 1 0.959 0.013 . 2 . . . . 19 Leu HD21 . 16428 1 214 . 1 1 19 19 LEU HD22 H 1 0.959 0.013 . 2 . . . . 19 Leu HD22 . 16428 1 215 . 1 1 19 19 LEU HD23 H 1 0.959 0.013 . 2 . . . . 19 Leu HD23 . 16428 1 216 . 1 1 19 19 LEU HG H 1 1.733 0.002 . 1 . . . . 19 Leu HG . 16428 1 217 . 1 1 19 19 LEU C C 13 177.712 0.011 . 1 . . . . 19 Leu C . 16428 1 218 . 1 1 19 19 LEU CA C 13 58.072 0.052 . 1 . . . . 19 Leu CA . 16428 1 219 . 1 1 19 19 LEU CB C 13 41.110 0.034 . 1 . . . . 19 Leu CB . 16428 1 220 . 1 1 19 19 LEU CD1 C 13 23.491 0.014 . 2 . . . . 19 Leu CD1 . 16428 1 221 . 1 1 19 19 LEU CD2 C 13 24.096 0.006 . 2 . . . . 19 Leu CD2 . 16428 1 222 . 1 1 19 19 LEU CG C 13 27.223 0.054 . 1 . . . . 19 Leu CG . 16428 1 223 . 1 1 19 19 LEU N N 15 118.664 0.022 . 1 . . . . 19 Leu N . 16428 1 224 . 1 1 20 20 ASP H H 1 7.348 0.003 . 1 . . . . 20 Asp H . 16428 1 225 . 1 1 20 20 ASP HA H 1 4.791 0.016 . 1 . . . . 20 Asp HA . 16428 1 226 . 1 1 20 20 ASP HB2 H 1 2.500 0.006 . 2 . . . . 20 Asp HB2 . 16428 1 227 . 1 1 20 20 ASP HB3 H 1 2.707 0.006 . 2 . . . . 20 Asp HB3 . 16428 1 228 . 1 1 20 20 ASP C C 13 177.283 0.012 . 1 . . . . 20 Asp C . 16428 1 229 . 1 1 20 20 ASP CA C 13 54.250 0.016 . 1 . . . . 20 Asp CA . 16428 1 230 . 1 1 20 20 ASP CB C 13 41.724 0.028 . 1 . . . . 20 Asp CB . 16428 1 231 . 1 1 20 20 ASP N N 15 115.234 0.015 . 1 . . . . 20 Asp N . 16428 1 232 . 1 1 21 21 PHE H H 1 7.796 0.001 . 1 . . . . 21 Phe H . 16428 1 233 . 1 1 21 21 PHE HA H 1 4.261 0.005 . 1 . . . . 21 Phe HA . 16428 1 234 . 1 1 21 21 PHE HB2 H 1 3.080 0.007 . 2 . . . . 21 Phe HB2 . 16428 1 235 . 1 1 21 21 PHE HB3 H 1 3.271 0.009 . 2 . . . . 21 Phe HB3 . 16428 1 236 . 1 1 21 21 PHE C C 13 175.358 0.020 . 1 . . . . 21 Phe C . 16428 1 237 . 1 1 21 21 PHE CA C 13 63.000 0.041 . 1 . . . . 21 Phe CA . 16428 1 238 . 1 1 21 21 PHE CB C 13 41.654 0.043 . 1 . . . . 21 Phe CB . 16428 1 239 . 1 1 21 21 PHE N N 15 124.351 0.022 . 1 . . . . 21 Phe N . 16428 1 240 . 1 1 22 22 LEU H H 1 9.075 0.003 . 1 . . . . 22 Leu H . 16428 1 241 . 1 1 22 22 LEU HA H 1 4.013 0.005 . 1 . . . . 22 Leu HA . 16428 1 242 . 1 1 22 22 LEU HB2 H 1 1.236 0.003 . 2 . . . . 22 Leu HB2 . 16428 1 243 . 1 1 22 22 LEU HB3 H 1 2.142 0.010 . 2 . . . . 22 Leu HB3 . 16428 1 244 . 1 1 22 22 LEU HD11 H 1 0.877 0.005 . 2 . . . . 22 Leu HD11 . 16428 1 245 . 1 1 22 22 LEU HD12 H 1 0.877 0.005 . 2 . . . . 22 Leu HD12 . 16428 1 246 . 1 1 22 22 LEU HD13 H 1 0.877 0.005 . 2 . . . . 22 Leu HD13 . 16428 1 247 . 1 1 22 22 LEU HD21 H 1 0.944 0.007 . 2 . . . . 22 Leu HD21 . 16428 1 248 . 1 1 22 22 LEU HD22 H 1 0.944 0.007 . 2 . . . . 22 Leu HD22 . 16428 1 249 . 1 1 22 22 LEU HD23 H 1 0.944 0.007 . 2 . . . . 22 Leu HD23 . 16428 1 250 . 1 1 22 22 LEU HG H 1 1.891 0.002 . 1 . . . . 22 Leu HG . 16428 1 251 . 1 1 22 22 LEU C C 13 177.148 0.000 . 1 . . . . 22 Leu C . 16428 1 252 . 1 1 22 22 LEU CA C 13 59.446 0.041 . 1 . . . . 22 Leu CA . 16428 1 253 . 1 1 22 22 LEU CB C 13 39.006 0.045 . 1 . . . . 22 Leu CB . 16428 1 254 . 1 1 22 22 LEU CD1 C 13 22.589 0.010 . 2 . . . . 22 Leu CD1 . 16428 1 255 . 1 1 22 22 LEU CD2 C 13 26.083 0.016 . 2 . . . . 22 Leu CD2 . 16428 1 256 . 1 1 22 22 LEU CG C 13 26.938 0.005 . 1 . . . . 22 Leu CG . 16428 1 257 . 1 1 22 22 LEU N N 15 118.699 0.023 . 1 . . . . 22 Leu N . 16428 1 258 . 1 1 23 23 PRO HA H 1 3.908 0.007 . 1 . . . . 23 Pro HA . 16428 1 259 . 1 1 23 23 PRO HB2 H 1 1.853 0.008 . 2 . . . . 23 Pro HB2 . 16428 1 260 . 1 1 23 23 PRO HB3 H 1 2.226 0.009 . 2 . . . . 23 Pro HB3 . 16428 1 261 . 1 1 23 23 PRO HD2 H 1 3.639 0.006 . 2 . . . . 23 Pro HD2 . 16428 1 262 . 1 1 23 23 PRO HD3 H 1 3.725 0.004 . 2 . . . . 23 Pro HD3 . 16428 1 263 . 1 1 23 23 PRO HG2 H 1 2.115 0.004 . 2 . . . . 23 Pro HG2 . 16428 1 264 . 1 1 23 23 PRO HG3 H 1 2.194 0.005 . 2 . . . . 23 Pro HG3 . 16428 1 265 . 1 1 23 23 PRO C C 13 178.548 0.009 . 1 . . . . 23 Pro C . 16428 1 266 . 1 1 23 23 PRO CA C 13 66.009 0.043 . 1 . . . . 23 Pro CA . 16428 1 267 . 1 1 23 23 PRO CB C 13 30.425 0.042 . 1 . . . . 23 Pro CB . 16428 1 268 . 1 1 23 23 PRO CD C 13 50.197 0.018 . 1 . . . . 23 Pro CD . 16428 1 269 . 1 1 23 23 PRO CG C 13 27.651 0.012 . 1 . . . . 23 Pro CG . 16428 1 270 . 1 1 24 24 THR H H 1 7.053 0.002 . 1 . . . . 24 Thr H . 16428 1 271 . 1 1 24 24 THR HA H 1 3.504 0.005 . 1 . . . . 24 Thr HA . 16428 1 272 . 1 1 24 24 THR HB H 1 3.773 0.007 . 1 . . . . 24 Thr HB . 16428 1 273 . 1 1 24 24 THR HG21 H 1 0.105 0.003 . 1 . . . . 24 Thr HG21 . 16428 1 274 . 1 1 24 24 THR HG22 H 1 0.105 0.003 . 1 . . . . 24 Thr HG22 . 16428 1 275 . 1 1 24 24 THR HG23 H 1 0.105 0.003 . 1 . . . . 24 Thr HG23 . 16428 1 276 . 1 1 24 24 THR C C 13 174.855 0.016 . 1 . . . . 24 Thr C . 16428 1 277 . 1 1 24 24 THR CA C 13 66.988 0.073 . 1 . . . . 24 Thr CA . 16428 1 278 . 1 1 24 24 THR CB C 13 68.474 0.045 . 1 . . . . 24 Thr CB . 16428 1 279 . 1 1 24 24 THR CG2 C 13 19.477 0.019 . 1 . . . . 24 Thr CG2 . 16428 1 280 . 1 1 24 24 THR N N 15 114.048 0.029 . 1 . . . . 24 Thr N . 16428 1 281 . 1 1 25 25 TYR H H 1 7.052 0.002 . 1 . . . . 25 Tyr H . 16428 1 282 . 1 1 25 25 TYR HA H 1 3.591 0.004 . 1 . . . . 25 Tyr HA . 16428 1 283 . 1 1 25 25 TYR HB2 H 1 0.479 0.027 . 2 . . . . 25 Tyr HB2 . 16428 1 284 . 1 1 25 25 TYR HB3 H 1 0.549 0.004 . 2 . . . . 25 Tyr HB3 . 16428 1 285 . 1 1 25 25 TYR C C 13 175.953 0.000 . 1 . . . . 25 Tyr C . 16428 1 286 . 1 1 25 25 TYR CA C 13 62.258 0.026 . 1 . . . . 25 Tyr CA . 16428 1 287 . 1 1 25 25 TYR CB C 13 35.950 0.046 . 1 . . . . 25 Tyr CB . 16428 1 288 . 1 1 25 25 TYR N N 15 117.283 0.026 . 1 . . . . 25 Tyr N . 16428 1 289 . 1 1 26 26 PHE H H 1 7.880 0.002 . 1 . . . . 26 Phe H . 16428 1 290 . 1 1 26 26 PHE HA H 1 4.573 0.007 . 1 . . . . 26 Phe HA . 16428 1 291 . 1 1 26 26 PHE HB2 H 1 2.554 0.013 . 2 . . . . 26 Phe HB2 . 16428 1 292 . 1 1 26 26 PHE HB3 H 1 2.708 0.007 . 2 . . . . 26 Phe HB3 . 16428 1 293 . 1 1 26 26 PHE HD1 H 1 7.030 0.002 . 3 . . . . 26 Phe HD1 . 16428 1 294 . 1 1 26 26 PHE HD2 H 1 7.030 0.002 . 3 . . . . 26 Phe HD2 . 16428 1 295 . 1 1 26 26 PHE C C 13 176.675 0.014 . 1 . . . . 26 Phe C . 16428 1 296 . 1 1 26 26 PHE CA C 13 59.573 0.028 . 1 . . . . 26 Phe CA . 16428 1 297 . 1 1 26 26 PHE CB C 13 40.223 0.020 . 1 . . . . 26 Phe CB . 16428 1 298 . 1 1 26 26 PHE CD1 C 13 130.947 0.000 . 3 . . . . 26 Phe CD1 . 16428 1 299 . 1 1 26 26 PHE CD2 C 13 130.947 0.000 . 3 . . . . 26 Phe CD2 . 16428 1 300 . 1 1 26 26 PHE N N 15 112.636 0.010 . 1 . . . . 26 Phe N . 16428 1 301 . 1 1 27 27 GLY H H 1 6.515 0.003 . 1 . . . . 27 Gly H . 16428 1 302 . 1 1 27 27 GLY HA2 H 1 4.170 0.005 . 2 . . . . 27 Gly HA2 . 16428 1 303 . 1 1 27 27 GLY HA3 H 1 4.422 0.008 . 2 . . . . 27 Gly HA3 . 16428 1 304 . 1 1 27 27 GLY C C 13 173.455 0.000 . 1 . . . . 27 Gly C . 16428 1 305 . 1 1 27 27 GLY CA C 13 43.617 0.045 . 1 . . . . 27 Gly CA . 16428 1 306 . 1 1 27 27 GLY N N 15 106.665 0.014 . 1 . . . . 27 Gly N . 16428 1 307 . 1 1 28 28 PRO HA H 1 4.269 0.005 . 1 . . . . 28 Pro HA . 16428 1 308 . 1 1 28 28 PRO HB2 H 1 1.967 0.010 . 2 . . . . 28 Pro HB2 . 16428 1 309 . 1 1 28 28 PRO HB3 H 1 2.339 0.008 . 2 . . . . 28 Pro HB3 . 16428 1 310 . 1 1 28 28 PRO HD2 H 1 3.780 0.004 . 2 . . . . 28 Pro HD2 . 16428 1 311 . 1 1 28 28 PRO HD3 H 1 3.780 0.005 . 2 . . . . 28 Pro HD3 . 16428 1 312 . 1 1 28 28 PRO HG2 H 1 1.890 0.005 . 2 . . . . 28 Pro HG2 . 16428 1 313 . 1 1 28 28 PRO HG3 H 1 2.054 0.009 . 2 . . . . 28 Pro HG3 . 16428 1 314 . 1 1 28 28 PRO C C 13 178.940 0.016 . 1 . . . . 28 Pro C . 16428 1 315 . 1 1 28 28 PRO CA C 13 65.580 0.036 . 1 . . . . 28 Pro CA . 16428 1 316 . 1 1 28 28 PRO CB C 13 32.037 0.068 . 1 . . . . 28 Pro CB . 16428 1 317 . 1 1 28 28 PRO CD C 13 50.209 0.029 . 1 . . . . 28 Pro CD . 16428 1 318 . 1 1 28 28 PRO CG C 13 28.347 0.035 . 1 . . . . 28 Pro CG . 16428 1 319 . 1 1 29 29 ARG H H 1 8.530 0.002 . 1 . . . . 29 Arg H . 16428 1 320 . 1 1 29 29 ARG HA H 1 4.248 0.007 . 1 . . . . 29 Arg HA . 16428 1 321 . 1 1 29 29 ARG HB2 H 1 1.811 0.011 . 2 . . . . 29 Arg HB2 . 16428 1 322 . 1 1 29 29 ARG HB3 H 1 1.881 0.015 . 2 . . . . 29 Arg HB3 . 16428 1 323 . 1 1 29 29 ARG HD2 H 1 3.214 0.004 . 2 . . . . 29 Arg HD2 . 16428 1 324 . 1 1 29 29 ARG HD3 H 1 3.215 0.004 . 2 . . . . 29 Arg HD3 . 16428 1 325 . 1 1 29 29 ARG HE H 1 8.376 0.002 . 1 . . . . 29 Arg HE . 16428 1 326 . 1 1 29 29 ARG HG2 H 1 1.636 0.012 . 1 . . . . 29 Arg HG2 . 16428 1 327 . 1 1 29 29 ARG HG3 H 1 1.636 0.012 . 1 . . . . 29 Arg HG3 . 16428 1 328 . 1 1 29 29 ARG C C 13 177.724 0.010 . 1 . . . . 29 Arg C . 16428 1 329 . 1 1 29 29 ARG CA C 13 57.919 0.031 . 1 . . . . 29 Arg CA . 16428 1 330 . 1 1 29 29 ARG CB C 13 30.312 0.050 . 1 . . . . 29 Arg CB . 16428 1 331 . 1 1 29 29 ARG CD C 13 43.408 0.074 . 1 . . . . 29 Arg CD . 16428 1 332 . 1 1 29 29 ARG CG C 13 29.105 0.007 . 1 . . . . 29 Arg CG . 16428 1 333 . 1 1 29 29 ARG N N 15 115.120 0.016 . 1 . . . . 29 Arg N . 16428 1 334 . 1 1 29 29 ARG NE N 15 84.897 0.023 . 1 . . . . 29 Arg NE . 16428 1 335 . 1 1 30 30 LEU H H 1 7.266 0.002 . 1 . . . . 30 Leu H . 16428 1 336 . 1 1 30 30 LEU HA H 1 4.609 0.010 . 1 . . . . 30 Leu HA . 16428 1 337 . 1 1 30 30 LEU HB2 H 1 1.565 0.006 . 2 . . . . 30 Leu HB2 . 16428 1 338 . 1 1 30 30 LEU HB3 H 1 1.877 0.008 . 2 . . . . 30 Leu HB3 . 16428 1 339 . 1 1 30 30 LEU HD11 H 1 0.862 0.005 . 2 . . . . 30 Leu HD11 . 16428 1 340 . 1 1 30 30 LEU HD12 H 1 0.862 0.005 . 2 . . . . 30 Leu HD12 . 16428 1 341 . 1 1 30 30 LEU HD13 H 1 0.862 0.005 . 2 . . . . 30 Leu HD13 . 16428 1 342 . 1 1 30 30 LEU HD21 H 1 1.001 0.004 . 2 . . . . 30 Leu HD21 . 16428 1 343 . 1 1 30 30 LEU HD22 H 1 1.001 0.004 . 2 . . . . 30 Leu HD22 . 16428 1 344 . 1 1 30 30 LEU HD23 H 1 1.001 0.004 . 2 . . . . 30 Leu HD23 . 16428 1 345 . 1 1 30 30 LEU C C 13 177.864 0.035 . 1 . . . . 30 Leu C . 16428 1 346 . 1 1 30 30 LEU CA C 13 54.225 0.023 . 1 . . . . 30 Leu CA . 16428 1 347 . 1 1 30 30 LEU CB C 13 43.105 0.039 . 1 . . . . 30 Leu CB . 16428 1 348 . 1 1 30 30 LEU CD1 C 13 23.181 0.019 . 2 . . . . 30 Leu CD1 . 16428 1 349 . 1 1 30 30 LEU CD2 C 13 26.531 0.052 . 2 . . . . 30 Leu CD2 . 16428 1 350 . 1 1 30 30 LEU N N 15 116.270 0.014 . 1 . . . . 30 Leu N . 16428 1 351 . 1 1 31 31 MET H H 1 7.557 0.002 . 1 . . . . 31 Met H . 16428 1 352 . 1 1 31 31 MET HA H 1 3.613 0.005 . 1 . . . . 31 Met HA . 16428 1 353 . 1 1 31 31 MET HB2 H 1 1.822 0.005 . 2 . . . . 31 Met HB2 . 16428 1 354 . 1 1 31 31 MET HB3 H 1 1.927 0.007 . 2 . . . . 31 Met HB3 . 16428 1 355 . 1 1 31 31 MET HG2 H 1 2.397 0.002 . 2 . . . . 31 Met HG2 . 16428 1 356 . 1 1 31 31 MET HG3 H 1 2.762 0.003 . 2 . . . . 31 Met HG3 . 16428 1 357 . 1 1 31 31 MET C C 13 175.702 0.004 . 1 . . . . 31 Met C . 16428 1 358 . 1 1 31 31 MET CA C 13 59.883 0.031 . 1 . . . . 31 Met CA . 16428 1 359 . 1 1 31 31 MET CB C 13 31.578 0.036 . 1 . . . . 31 Met CB . 16428 1 360 . 1 1 31 31 MET CG C 13 30.769 0.051 . 1 . . . . 31 Met CG . 16428 1 361 . 1 1 31 31 MET N N 15 117.689 0.014 . 1 . . . . 31 Met N . 16428 1 362 . 1 1 32 32 MET H H 1 8.113 0.001 . 1 . . . . 32 Met H . 16428 1 363 . 1 1 32 32 MET HA H 1 4.246 0.006 . 1 . . . . 32 Met HA . 16428 1 364 . 1 1 32 32 MET HB2 H 1 2.033 0.004 . 2 . . . . 32 Met HB2 . 16428 1 365 . 1 1 32 32 MET HB3 H 1 2.034 0.003 . 2 . . . . 32 Met HB3 . 16428 1 366 . 1 1 32 32 MET HG2 H 1 2.550 0.003 . 2 . . . . 32 Met HG2 . 16428 1 367 . 1 1 32 32 MET HG3 H 1 2.657 0.003 . 2 . . . . 32 Met HG3 . 16428 1 368 . 1 1 32 32 MET C C 13 178.991 0.018 . 1 . . . . 32 Met C . 16428 1 369 . 1 1 32 32 MET CA C 13 58.811 0.047 . 1 . . . . 32 Met CA . 16428 1 370 . 1 1 32 32 MET CB C 13 31.131 0.056 . 1 . . . . 32 Met CB . 16428 1 371 . 1 1 32 32 MET CG C 13 32.482 0.060 . 1 . . . . 32 Met CG . 16428 1 372 . 1 1 32 32 MET N N 15 120.083 0.016 . 1 . . . . 32 Met N . 16428 1 373 . 1 1 33 33 ARG H H 1 7.957 0.002 . 1 . . . . 33 Arg H . 16428 1 374 . 1 1 33 33 ARG HA H 1 3.972 0.004 . 1 . . . . 33 Arg HA . 16428 1 375 . 1 1 33 33 ARG HB2 H 1 1.704 0.007 . 2 . . . . 33 Arg HB2 . 16428 1 376 . 1 1 33 33 ARG HB3 H 1 1.705 0.007 . 2 . . . . 33 Arg HB3 . 16428 1 377 . 1 1 33 33 ARG HD2 H 1 2.905 0.008 . 2 . . . . 33 Arg HD2 . 16428 1 378 . 1 1 33 33 ARG HD3 H 1 3.211 0.011 . 2 . . . . 33 Arg HD3 . 16428 1 379 . 1 1 33 33 ARG HG2 H 1 1.562 0.007 . 2 . . . . 33 Arg HG2 . 16428 1 380 . 1 1 33 33 ARG HG3 H 1 1.562 0.007 . 2 . . . . 33 Arg HG3 . 16428 1 381 . 1 1 33 33 ARG C C 13 177.875 0.004 . 1 . . . . 33 Arg C . 16428 1 382 . 1 1 33 33 ARG CA C 13 57.833 0.061 . 1 . . . . 33 Arg CA . 16428 1 383 . 1 1 33 33 ARG CB C 13 30.113 0.038 . 1 . . . . 33 Arg CB . 16428 1 384 . 1 1 33 33 ARG CD C 13 44.039 0.035 . 1 . . . . 33 Arg CD . 16428 1 385 . 1 1 33 33 ARG CG C 13 26.741 0.017 . 1 . . . . 33 Arg CG . 16428 1 386 . 1 1 33 33 ARG N N 15 121.713 0.015 . 1 . . . . 33 Arg N . 16428 1 387 . 1 1 34 34 GLY H H 1 8.567 0.002 . 1 . . . . 34 Gly H . 16428 1 388 . 1 1 34 34 GLY HA2 H 1 1.769 0.007 . 2 . . . . 34 Gly HA2 . 16428 1 389 . 1 1 34 34 GLY HA3 H 1 2.951 0.003 . 2 . . . . 34 Gly HA3 . 16428 1 390 . 1 1 34 34 GLY C C 13 173.519 0.006 . 1 . . . . 34 Gly C . 16428 1 391 . 1 1 34 34 GLY CA C 13 47.511 0.046 . 1 . . . . 34 Gly CA . 16428 1 392 . 1 1 34 34 GLY N N 15 105.702 0.016 . 1 . . . . 34 Gly N . 16428 1 393 . 1 1 35 35 GLU H H 1 7.381 0.003 . 1 . . . . 35 Glu H . 16428 1 394 . 1 1 35 35 GLU HA H 1 3.105 0.005 . 1 . . . . 35 Glu HA . 16428 1 395 . 1 1 35 35 GLU HB2 H 1 1.792 0.010 . 2 . . . . 35 Glu HB2 . 16428 1 396 . 1 1 35 35 GLU HB3 H 1 1.792 0.010 . 2 . . . . 35 Glu HB3 . 16428 1 397 . 1 1 35 35 GLU HG2 H 1 1.703 0.003 . 2 . . . . 35 Glu HG2 . 16428 1 398 . 1 1 35 35 GLU HG3 H 1 1.833 0.016 . 2 . . . . 35 Glu HG3 . 16428 1 399 . 1 1 35 35 GLU C C 13 176.189 0.016 . 1 . . . . 35 Glu C . 16428 1 400 . 1 1 35 35 GLU CA C 13 59.474 0.033 . 1 . . . . 35 Glu CA . 16428 1 401 . 1 1 35 35 GLU CB C 13 29.583 0.041 . 1 . . . . 35 Glu CB . 16428 1 402 . 1 1 35 35 GLU CG C 13 35.265 0.020 . 1 . . . . 35 Glu CG . 16428 1 403 . 1 1 35 35 GLU N N 15 119.159 0.012 . 1 . . . . 35 Glu N . 16428 1 404 . 1 1 36 36 ALA H H 1 7.039 0.002 . 1 . . . . 36 Ala H . 16428 1 405 . 1 1 36 36 ALA HA H 1 3.854 0.007 . 1 . . . . 36 Ala HA . 16428 1 406 . 1 1 36 36 ALA HB1 H 1 1.421 0.003 . 1 . . . . 36 Ala HB1 . 16428 1 407 . 1 1 36 36 ALA HB2 H 1 1.421 0.003 . 1 . . . . 36 Ala HB2 . 16428 1 408 . 1 1 36 36 ALA HB3 H 1 1.421 0.003 . 1 . . . . 36 Ala HB3 . 16428 1 409 . 1 1 36 36 ALA C C 13 181.643 0.005 . 1 . . . . 36 Ala C . 16428 1 410 . 1 1 36 36 ALA CA C 13 54.818 0.072 . 1 . . . . 36 Ala CA . 16428 1 411 . 1 1 36 36 ALA CB C 13 18.014 0.066 . 1 . . . . 36 Ala CB . 16428 1 412 . 1 1 36 36 ALA N N 15 115.836 0.020 . 1 . . . . 36 Ala N . 16428 1 413 . 1 1 37 37 LEU H H 1 8.227 0.002 . 1 . . . . 37 Leu H . 16428 1 414 . 1 1 37 37 LEU HA H 1 4.181 0.005 . 1 . . . . 37 Leu HA . 16428 1 415 . 1 1 37 37 LEU HB2 H 1 1.403 0.005 . 2 . . . . 37 Leu HB2 . 16428 1 416 . 1 1 37 37 LEU HB3 H 1 2.169 0.012 . 2 . . . . 37 Leu HB3 . 16428 1 417 . 1 1 37 37 LEU HD11 H 1 0.881 0.003 . 2 . . . . 37 Leu HD11 . 16428 1 418 . 1 1 37 37 LEU HD12 H 1 0.881 0.003 . 2 . . . . 37 Leu HD12 . 16428 1 419 . 1 1 37 37 LEU HD13 H 1 0.881 0.003 . 2 . . . . 37 Leu HD13 . 16428 1 420 . 1 1 37 37 LEU HD21 H 1 0.882 0.003 . 2 . . . . 37 Leu HD21 . 16428 1 421 . 1 1 37 37 LEU HD22 H 1 0.882 0.003 . 2 . . . . 37 Leu HD22 . 16428 1 422 . 1 1 37 37 LEU HD23 H 1 0.882 0.003 . 2 . . . . 37 Leu HD23 . 16428 1 423 . 1 1 37 37 LEU HG H 1 1.838 0.003 . 1 . . . . 37 Leu HG . 16428 1 424 . 1 1 37 37 LEU C C 13 178.869 0.011 . 1 . . . . 37 Leu C . 16428 1 425 . 1 1 37 37 LEU CA C 13 57.445 0.043 . 1 . . . . 37 Leu CA . 16428 1 426 . 1 1 37 37 LEU CB C 13 43.280 0.035 . 1 . . . . 37 Leu CB . 16428 1 427 . 1 1 37 37 LEU CD1 C 13 26.183 0.002 . 1 . . . . 37 Leu CD1 . 16428 1 428 . 1 1 37 37 LEU CD2 C 13 26.183 0.002 . 1 . . . . 37 Leu CD2 . 16428 1 429 . 1 1 37 37 LEU CG C 13 26.898 0.034 . 1 . . . . 37 Leu CG . 16428 1 430 . 1 1 37 37 LEU N N 15 119.002 0.018 . 1 . . . . 37 Leu N . 16428 1 431 . 1 1 38 38 VAL H H 1 7.680 0.002 . 1 . . . . 38 Val H . 16428 1 432 . 1 1 38 38 VAL HA H 1 3.569 0.006 . 1 . . . . 38 Val HA . 16428 1 433 . 1 1 38 38 VAL HB H 1 1.666 0.006 . 1 . . . . 38 Val HB . 16428 1 434 . 1 1 38 38 VAL HG11 H 1 0.594 0.002 . 2 . . . . 38 Val HG11 . 16428 1 435 . 1 1 38 38 VAL HG12 H 1 0.594 0.002 . 2 . . . . 38 Val HG12 . 16428 1 436 . 1 1 38 38 VAL HG13 H 1 0.594 0.002 . 2 . . . . 38 Val HG13 . 16428 1 437 . 1 1 38 38 VAL HG21 H 1 1.190 0.006 . 2 . . . . 38 Val HG21 . 16428 1 438 . 1 1 38 38 VAL HG22 H 1 1.190 0.006 . 2 . . . . 38 Val HG22 . 16428 1 439 . 1 1 38 38 VAL HG23 H 1 1.190 0.006 . 2 . . . . 38 Val HG23 . 16428 1 440 . 1 1 38 38 VAL C C 13 178.320 0.004 . 1 . . . . 38 Val C . 16428 1 441 . 1 1 38 38 VAL CA C 13 67.950 0.040 . 1 . . . . 38 Val CA . 16428 1 442 . 1 1 38 38 VAL CB C 13 31.085 0.061 . 1 . . . . 38 Val CB . 16428 1 443 . 1 1 38 38 VAL CG1 C 13 22.387 0.040 . 2 . . . . 38 Val CG1 . 16428 1 444 . 1 1 38 38 VAL CG2 C 13 22.782 0.035 . 2 . . . . 38 Val CG2 . 16428 1 445 . 1 1 38 38 VAL N N 15 122.719 0.013 . 1 . . . . 38 Val N . 16428 1 446 . 1 1 39 39 TYR H H 1 6.996 0.002 . 1 . . . . 39 Tyr H . 16428 1 447 . 1 1 39 39 TYR HA H 1 4.356 0.005 . 1 . . . . 39 Tyr HA . 16428 1 448 . 1 1 39 39 TYR HB2 H 1 2.972 0.004 . 2 . . . . 39 Tyr HB2 . 16428 1 449 . 1 1 39 39 TYR HB3 H 1 3.445 0.009 . 2 . . . . 39 Tyr HB3 . 16428 1 450 . 1 1 39 39 TYR HD1 H 1 6.530 0.003 . 3 . . . . 39 Tyr HD1 . 16428 1 451 . 1 1 39 39 TYR HD2 H 1 6.530 0.003 . 3 . . . . 39 Tyr HD2 . 16428 1 452 . 1 1 39 39 TYR C C 13 179.159 0.003 . 1 . . . . 39 Tyr C . 16428 1 453 . 1 1 39 39 TYR CA C 13 58.021 0.034 . 1 . . . . 39 Tyr CA . 16428 1 454 . 1 1 39 39 TYR CB C 13 36.641 0.044 . 1 . . . . 39 Tyr CB . 16428 1 455 . 1 1 39 39 TYR CD1 C 13 131.183 0.036 . 3 . . . . 39 Tyr CD1 . 16428 1 456 . 1 1 39 39 TYR CD2 C 13 131.183 0.036 . 3 . . . . 39 Tyr CD2 . 16428 1 457 . 1 1 39 39 TYR N N 15 116.823 0.011 . 1 . . . . 39 Tyr N . 16428 1 458 . 1 1 40 40 ALA H H 1 8.602 0.002 . 1 . . . . 40 Ala H . 16428 1 459 . 1 1 40 40 ALA HA H 1 4.071 0.010 . 1 . . . . 40 Ala HA . 16428 1 460 . 1 1 40 40 ALA HB1 H 1 1.398 0.007 . 1 . . . . 40 Ala HB1 . 16428 1 461 . 1 1 40 40 ALA HB2 H 1 1.398 0.007 . 1 . . . . 40 Ala HB2 . 16428 1 462 . 1 1 40 40 ALA HB3 H 1 1.398 0.007 . 1 . . . . 40 Ala HB3 . 16428 1 463 . 1 1 40 40 ALA C C 13 182.097 0.011 . 1 . . . . 40 Ala C . 16428 1 464 . 1 1 40 40 ALA CA C 13 55.185 0.064 . 1 . . . . 40 Ala CA . 16428 1 465 . 1 1 40 40 ALA CB C 13 18.270 0.039 . 1 . . . . 40 Ala CB . 16428 1 466 . 1 1 40 40 ALA N N 15 121.201 0.015 . 1 . . . . 40 Ala N . 16428 1 467 . 1 1 41 41 TRP H H 1 9.024 0.002 . 1 . . . . 41 Trp H . 16428 1 468 . 1 1 41 41 TRP HA H 1 4.326 0.007 . 1 . . . . 41 Trp HA . 16428 1 469 . 1 1 41 41 TRP HB2 H 1 3.197 0.006 . 2 . . . . 41 Trp HB2 . 16428 1 470 . 1 1 41 41 TRP HB3 H 1 3.698 0.008 . 2 . . . . 41 Trp HB3 . 16428 1 471 . 1 1 41 41 TRP HD1 H 1 7.205 0.003 . 1 . . . . 41 Trp HD1 . 16428 1 472 . 1 1 41 41 TRP HE1 H 1 10.025 0.002 . 1 . . . . 41 Trp HE1 . 16428 1 473 . 1 1 41 41 TRP HZ2 H 1 7.412 0.004 . 1 . . . . 41 Trp HZ2 . 16428 1 474 . 1 1 41 41 TRP C C 13 178.553 0.010 . 1 . . . . 41 Trp C . 16428 1 475 . 1 1 41 41 TRP CA C 13 62.114 0.069 . 1 . . . . 41 Trp CA . 16428 1 476 . 1 1 41 41 TRP CB C 13 28.305 0.062 . 1 . . . . 41 Trp CB . 16428 1 477 . 1 1 41 41 TRP CD1 C 13 125.629 0.012 . 1 . . . . 41 Trp CD1 . 16428 1 478 . 1 1 41 41 TRP CZ2 C 13 115.096 0.040 . 1 . . . . 41 Trp CZ2 . 16428 1 479 . 1 1 41 41 TRP N N 15 119.672 0.011 . 1 . . . . 41 Trp N . 16428 1 480 . 1 1 41 41 TRP NE1 N 15 126.279 0.012 . 1 . . . . 41 Trp NE1 . 16428 1 481 . 1 1 42 42 MET H H 1 8.622 0.002 . 1 . . . . 42 Met H . 16428 1 482 . 1 1 42 42 MET HA H 1 4.514 0.007 . 1 . . . . 42 Met HA . 16428 1 483 . 1 1 42 42 MET HB2 H 1 2.109 0.014 . 2 . . . . 42 Met HB2 . 16428 1 484 . 1 1 42 42 MET HB3 H 1 2.219 0.013 . 2 . . . . 42 Met HB3 . 16428 1 485 . 1 1 42 42 MET HE1 H 1 1.947 0.001 . 1 . . . . 42 Met HE1 . 16428 1 486 . 1 1 42 42 MET HE2 H 1 1.947 0.001 . 1 . . . . 42 Met HE2 . 16428 1 487 . 1 1 42 42 MET HE3 H 1 1.947 0.001 . 1 . . . . 42 Met HE3 . 16428 1 488 . 1 1 42 42 MET HG2 H 1 1.576 0.008 . 2 . . . . 42 Met HG2 . 16428 1 489 . 1 1 42 42 MET HG3 H 1 1.983 0.008 . 2 . . . . 42 Met HG3 . 16428 1 490 . 1 1 42 42 MET C C 13 177.504 0.021 . 1 . . . . 42 Met C . 16428 1 491 . 1 1 42 42 MET CA C 13 57.709 0.052 . 1 . . . . 42 Met CA . 16428 1 492 . 1 1 42 42 MET CB C 13 32.821 0.029 . 1 . . . . 42 Met CB . 16428 1 493 . 1 1 42 42 MET CE C 13 19.478 0.024 . 1 . . . . 42 Met CE . 16428 1 494 . 1 1 42 42 MET CG C 13 31.920 0.013 . 1 . . . . 42 Met CG . 16428 1 495 . 1 1 42 42 MET N N 15 120.077 0.012 . 1 . . . . 42 Met N . 16428 1 496 . 1 1 43 43 ARG H H 1 7.949 0.002 . 1 . . . . 43 Arg H . 16428 1 497 . 1 1 43 43 ARG HA H 1 4.428 0.004 . 1 . . . . 43 Arg HA . 16428 1 498 . 1 1 43 43 ARG HB2 H 1 2.039 0.006 . 2 . . . . 43 Arg HB2 . 16428 1 499 . 1 1 43 43 ARG HB3 H 1 2.039 0.006 . 2 . . . . 43 Arg HB3 . 16428 1 500 . 1 1 43 43 ARG HD2 H 1 3.409 0.006 . 1 . . . . 43 Arg HD2 . 16428 1 501 . 1 1 43 43 ARG HD3 H 1 3.409 0.006 . 1 . . . . 43 Arg HD3 . 16428 1 502 . 1 1 43 43 ARG HG2 H 1 1.879 0.004 . 2 . . . . 43 Arg HG2 . 16428 1 503 . 1 1 43 43 ARG HG3 H 1 2.056 0.003 . 2 . . . . 43 Arg HG3 . 16428 1 504 . 1 1 43 43 ARG C C 13 177.940 0.010 . 1 . . . . 43 Arg C . 16428 1 505 . 1 1 43 43 ARG CA C 13 58.556 0.057 . 1 . . . . 43 Arg CA . 16428 1 506 . 1 1 43 43 ARG CB C 13 30.471 0.068 . 1 . . . . 43 Arg CB . 16428 1 507 . 1 1 43 43 ARG CD C 13 43.424 0.019 . 1 . . . . 43 Arg CD . 16428 1 508 . 1 1 43 43 ARG CG C 13 29.046 0.008 . 1 . . . . 43 Arg CG . 16428 1 509 . 1 1 43 43 ARG N N 15 115.741 0.012 . 1 . . . . 43 Arg N . 16428 1 510 . 1 1 44 44 ARG H H 1 7.819 0.004 . 1 . . . . 44 Arg H . 16428 1 511 . 1 1 44 44 ARG HA H 1 4.047 0.005 . 1 . . . . 44 Arg HA . 16428 1 512 . 1 1 44 44 ARG HB2 H 1 1.856 0.009 . 2 . . . . 44 Arg HB2 . 16428 1 513 . 1 1 44 44 ARG HB3 H 1 1.881 0.010 . 2 . . . . 44 Arg HB3 . 16428 1 514 . 1 1 44 44 ARG HD2 H 1 2.444 0.005 . 1 . . . . 44 Arg HD2 . 16428 1 515 . 1 1 44 44 ARG HD3 H 1 2.444 0.005 . 1 . . . . 44 Arg HD3 . 16428 1 516 . 1 1 44 44 ARG HE H 1 6.665 0.003 . 1 . . . . 44 Arg HE . 16428 1 517 . 1 1 44 44 ARG HG2 H 1 1.542 0.004 . 2 . . . . 44 Arg HG2 . 16428 1 518 . 1 1 44 44 ARG HG3 H 1 1.622 0.003 . 2 . . . . 44 Arg HG3 . 16428 1 519 . 1 1 44 44 ARG C C 13 178.378 0.003 . 1 . . . . 44 Arg C . 16428 1 520 . 1 1 44 44 ARG CA C 13 58.572 0.065 . 1 . . . . 44 Arg CA . 16428 1 521 . 1 1 44 44 ARG CB C 13 30.890 0.049 . 1 . . . . 44 Arg CB . 16428 1 522 . 1 1 44 44 ARG CD C 13 43.193 0.035 . 1 . . . . 44 Arg CD . 16428 1 523 . 1 1 44 44 ARG CG C 13 27.175 0.020 . 1 . . . . 44 Arg CG . 16428 1 524 . 1 1 44 44 ARG N N 15 118.386 0.031 . 1 . . . . 44 Arg N . 16428 1 525 . 1 1 44 44 ARG NE N 15 84.145 0.029 . 1 . . . . 44 Arg NE . 16428 1 526 . 1 1 45 45 LEU H H 1 8.476 0.003 . 1 . . . . 45 Leu H . 16428 1 527 . 1 1 45 45 LEU HA H 1 4.797 0.014 . 1 . . . . 45 Leu HA . 16428 1 528 . 1 1 45 45 LEU HB2 H 1 1.572 0.012 . 2 . . . . 45 Leu HB2 . 16428 1 529 . 1 1 45 45 LEU HB3 H 1 2.067 0.005 . 2 . . . . 45 Leu HB3 . 16428 1 530 . 1 1 45 45 LEU HD11 H 1 0.921 0.006 . 2 . . . . 45 Leu HD11 . 16428 1 531 . 1 1 45 45 LEU HD12 H 1 0.921 0.006 . 2 . . . . 45 Leu HD12 . 16428 1 532 . 1 1 45 45 LEU HD13 H 1 0.921 0.006 . 2 . . . . 45 Leu HD13 . 16428 1 533 . 1 1 45 45 LEU HD21 H 1 1.057 0.009 . 2 . . . . 45 Leu HD21 . 16428 1 534 . 1 1 45 45 LEU HD22 H 1 1.057 0.009 . 2 . . . . 45 Leu HD22 . 16428 1 535 . 1 1 45 45 LEU HD23 H 1 1.057 0.009 . 2 . . . . 45 Leu HD23 . 16428 1 536 . 1 1 45 45 LEU HG H 1 2.462 0.005 . 1 . . . . 45 Leu HG . 16428 1 537 . 1 1 45 45 LEU C C 13 176.991 0.001 . 1 . . . . 45 Leu C . 16428 1 538 . 1 1 45 45 LEU CA C 13 56.101 0.018 . 1 . . . . 45 Leu CA . 16428 1 539 . 1 1 45 45 LEU CB C 13 43.603 0.027 . 1 . . . . 45 Leu CB . 16428 1 540 . 1 1 45 45 LEU CD1 C 13 26.562 0.080 . 2 . . . . 45 Leu CD1 . 16428 1 541 . 1 1 45 45 LEU CD2 C 13 23.488 0.017 . 2 . . . . 45 Leu CD2 . 16428 1 542 . 1 1 45 45 LEU CG C 13 27.291 0.038 . 1 . . . . 45 Leu CG . 16428 1 543 . 1 1 45 45 LEU N N 15 117.000 0.015 . 1 . . . . 45 Leu N . 16428 1 544 . 1 1 46 46 CYS H H 1 8.067 0.003 . 1 . . . . 46 Cys H . 16428 1 545 . 1 1 46 46 CYS HA H 1 5.115 0.008 . 1 . . . . 46 Cys HA . 16428 1 546 . 1 1 46 46 CYS HB2 H 1 2.557 0.003 . 2 . . . . 46 Cys HB2 . 16428 1 547 . 1 1 46 46 CYS HB3 H 1 2.996 0.007 . 2 . . . . 46 Cys HB3 . 16428 1 548 . 1 1 46 46 CYS C C 13 174.164 0.006 . 1 . . . . 46 Cys C . 16428 1 549 . 1 1 46 46 CYS CA C 13 57.193 0.072 . 1 . . . . 46 Cys CA . 16428 1 550 . 1 1 46 46 CYS CB C 13 28.535 0.058 . 1 . . . . 46 Cys CB . 16428 1 551 . 1 1 46 46 CYS N N 15 119.291 0.014 . 1 . . . . 46 Cys N . 16428 1 552 . 1 1 47 47 GLU H H 1 9.130 0.002 . 1 . . . . 47 Glu H . 16428 1 553 . 1 1 47 47 GLU HA H 1 4.331 0.008 . 1 . . . . 47 Glu HA . 16428 1 554 . 1 1 47 47 GLU HB2 H 1 2.087 0.024 . 2 . . . . 47 Glu HB2 . 16428 1 555 . 1 1 47 47 GLU HB3 H 1 2.175 0.006 . 2 . . . . 47 Glu HB3 . 16428 1 556 . 1 1 47 47 GLU HG2 H 1 2.370 0.002 . 1 . . . . 47 Glu HG2 . 16428 1 557 . 1 1 47 47 GLU HG3 H 1 2.370 0.002 . 1 . . . . 47 Glu HG3 . 16428 1 558 . 1 1 47 47 GLU C C 13 177.307 0.010 . 1 . . . . 47 Glu C . 16428 1 559 . 1 1 47 47 GLU CA C 13 59.344 0.034 . 1 . . . . 47 Glu CA . 16428 1 560 . 1 1 47 47 GLU CB C 13 29.558 0.045 . 1 . . . . 47 Glu CB . 16428 1 561 . 1 1 47 47 GLU CG C 13 36.048 0.036 . 1 . . . . 47 Glu CG . 16428 1 562 . 1 1 47 47 GLU N N 15 129.874 0.015 . 1 . . . . 47 Glu N . 16428 1 563 . 1 1 48 48 ARG H H 1 7.961 0.002 . 1 . . . . 48 Arg H . 16428 1 564 . 1 1 48 48 ARG HA H 1 4.315 0.007 . 1 . . . . 48 Arg HA . 16428 1 565 . 1 1 48 48 ARG HB2 H 1 1.742 0.006 . 2 . . . . 48 Arg HB2 . 16428 1 566 . 1 1 48 48 ARG HB3 H 1 2.046 0.017 . 2 . . . . 48 Arg HB3 . 16428 1 567 . 1 1 48 48 ARG HD2 H 1 3.224 0.004 . 2 . . . . 48 Arg HD2 . 16428 1 568 . 1 1 48 48 ARG HD3 H 1 3.224 0.004 . 2 . . . . 48 Arg HD3 . 16428 1 569 . 1 1 48 48 ARG HE H 1 7.363 0.002 . 1 . . . . 48 Arg HE . 16428 1 570 . 1 1 48 48 ARG HG2 H 1 1.699 0.006 . 2 . . . . 48 Arg HG2 . 16428 1 571 . 1 1 48 48 ARG HG3 H 1 1.699 0.006 . 2 . . . . 48 Arg HG3 . 16428 1 572 . 1 1 48 48 ARG C C 13 176.544 0.015 . 1 . . . . 48 Arg C . 16428 1 573 . 1 1 48 48 ARG CA C 13 56.020 0.028 . 1 . . . . 48 Arg CA . 16428 1 574 . 1 1 48 48 ARG CB C 13 30.187 0.017 . 1 . . . . 48 Arg CB . 16428 1 575 . 1 1 48 48 ARG CD C 13 43.384 0.057 . 1 . . . . 48 Arg CD . 16428 1 576 . 1 1 48 48 ARG CG C 13 27.785 0.015 . 1 . . . . 48 Arg CG . 16428 1 577 . 1 1 48 48 ARG N N 15 114.606 0.013 . 1 . . . . 48 Arg N . 16428 1 578 . 1 1 48 48 ARG NE N 15 84.876 0.046 . 1 . . . . 48 Arg NE . 16428 1 579 . 1 1 49 49 TYR H H 1 7.978 0.003 . 1 . . . . 49 Tyr H . 16428 1 580 . 1 1 49 49 TYR HA H 1 4.332 0.012 . 1 . . . . 49 Tyr HA . 16428 1 581 . 1 1 49 49 TYR HB2 H 1 2.748 0.009 . 2 . . . . 49 Tyr HB2 . 16428 1 582 . 1 1 49 49 TYR HB3 H 1 3.322 0.006 . 2 . . . . 49 Tyr HB3 . 16428 1 583 . 1 1 49 49 TYR HD1 H 1 6.982 0.003 . 3 . . . . 49 Tyr HD1 . 16428 1 584 . 1 1 49 49 TYR HD2 H 1 6.982 0.003 . 3 . . . . 49 Tyr HD2 . 16428 1 585 . 1 1 49 49 TYR HE1 H 1 6.774 0.003 . 3 . . . . 49 Tyr HE1 . 16428 1 586 . 1 1 49 49 TYR HE2 H 1 6.774 0.003 . 3 . . . . 49 Tyr HE2 . 16428 1 587 . 1 1 49 49 TYR C C 13 174.507 0.017 . 1 . . . . 49 Tyr C . 16428 1 588 . 1 1 49 49 TYR CA C 13 59.159 0.059 . 1 . . . . 49 Tyr CA . 16428 1 589 . 1 1 49 49 TYR CB C 13 38.528 0.054 . 1 . . . . 49 Tyr CB . 16428 1 590 . 1 1 49 49 TYR CD1 C 13 133.833 0.030 . 3 . . . . 49 Tyr CD1 . 16428 1 591 . 1 1 49 49 TYR CD2 C 13 133.833 0.030 . 3 . . . . 49 Tyr CD2 . 16428 1 592 . 1 1 49 49 TYR CE1 C 13 118.224 0.032 . 3 . . . . 49 Tyr CE1 . 16428 1 593 . 1 1 49 49 TYR CE2 C 13 118.224 0.032 . 3 . . . . 49 Tyr CE2 . 16428 1 594 . 1 1 49 49 TYR N N 15 121.803 0.019 . 1 . . . . 49 Tyr N . 16428 1 595 . 1 1 50 50 ASN H H 1 8.940 0.002 . 1 . . . . 50 Asn H . 16428 1 596 . 1 1 50 50 ASN HA H 1 4.674 0.010 . 1 . . . . 50 Asn HA . 16428 1 597 . 1 1 50 50 ASN HB2 H 1 2.511 0.005 . 2 . . . . 50 Asn HB2 . 16428 1 598 . 1 1 50 50 ASN HB3 H 1 2.704 0.003 . 2 . . . . 50 Asn HB3 . 16428 1 599 . 1 1 50 50 ASN HD21 H 1 6.767 0.003 . 1 . . . . 50 Asn HD21 . 16428 1 600 . 1 1 50 50 ASN HD22 H 1 7.436 0.002 . 1 . . . . 50 Asn HD22 . 16428 1 601 . 1 1 50 50 ASN C C 13 174.328 0.000 . 1 . . . . 50 Asn C . 16428 1 602 . 1 1 50 50 ASN CA C 13 51.954 0.046 . 1 . . . . 50 Asn CA . 16428 1 603 . 1 1 50 50 ASN CB C 13 39.669 0.068 . 1 . . . . 50 Asn CB . 16428 1 604 . 1 1 50 50 ASN CG C 13 177.677 0.023 . 1 . . . . 50 Asn CG . 16428 1 605 . 1 1 50 50 ASN N N 15 127.613 0.010 . 1 . . . . 50 Asn N . 16428 1 606 . 1 1 50 50 ASN ND2 N 15 111.919 0.022 . 1 . . . . 50 Asn ND2 . 16428 1 607 . 1 1 51 51 GLY HA2 H 1 3.435 0.008 . 2 . . . . 51 Gly HA2 . 16428 1 608 . 1 1 51 51 GLY HA3 H 1 4.280 0.008 . 2 . . . . 51 Gly HA3 . 16428 1 609 . 1 1 51 51 GLY C C 13 172.227 0.001 . 1 . . . . 51 Gly C . 16428 1 610 . 1 1 51 51 GLY CA C 13 44.543 0.066 . 1 . . . . 51 Gly CA . 16428 1 611 . 1 1 52 52 ALA H H 1 7.937 0.004 . 1 . . . . 52 Ala H . 16428 1 612 . 1 1 52 52 ALA HA H 1 4.443 0.006 . 1 . . . . 52 Ala HA . 16428 1 613 . 1 1 52 52 ALA HB1 H 1 1.283 0.007 . 1 . . . . 52 Ala HB1 . 16428 1 614 . 1 1 52 52 ALA HB2 H 1 1.283 0.007 . 1 . . . . 52 Ala HB2 . 16428 1 615 . 1 1 52 52 ALA HB3 H 1 1.283 0.007 . 1 . . . . 52 Ala HB3 . 16428 1 616 . 1 1 52 52 ALA C C 13 175.926 0.004 . 1 . . . . 52 Ala C . 16428 1 617 . 1 1 52 52 ALA CA C 13 52.056 0.025 . 1 . . . . 52 Ala CA . 16428 1 618 . 1 1 52 52 ALA CB C 13 21.953 0.040 . 1 . . . . 52 Ala CB . 16428 1 619 . 1 1 52 52 ALA N N 15 120.885 0.013 . 1 . . . . 52 Ala N . 16428 1 620 . 1 1 53 53 TYR H H 1 8.383 0.002 . 1 . . . . 53 Tyr H . 16428 1 621 . 1 1 53 53 TYR HA H 1 4.557 0.015 . 1 . . . . 53 Tyr HA . 16428 1 622 . 1 1 53 53 TYR HB2 H 1 2.747 0.010 . 2 . . . . 53 Tyr HB2 . 16428 1 623 . 1 1 53 53 TYR HB3 H 1 3.011 0.005 . 2 . . . . 53 Tyr HB3 . 16428 1 624 . 1 1 53 53 TYR HD1 H 1 6.698 0.000 . 3 . . . . 53 Tyr HD1 . 16428 1 625 . 1 1 53 53 TYR HD2 H 1 6.698 0.000 . 3 . . . . 53 Tyr HD2 . 16428 1 626 . 1 1 53 53 TYR HE1 H 1 6.574 0.000 . 3 . . . . 53 Tyr HE1 . 16428 1 627 . 1 1 53 53 TYR HE2 H 1 6.574 0.000 . 3 . . . . 53 Tyr HE2 . 16428 1 628 . 1 1 53 53 TYR C C 13 174.739 0.000 . 1 . . . . 53 Tyr C . 16428 1 629 . 1 1 53 53 TYR CA C 13 58.281 0.028 . 1 . . . . 53 Tyr CA . 16428 1 630 . 1 1 53 53 TYR CB C 13 39.210 0.060 . 1 . . . . 53 Tyr CB . 16428 1 631 . 1 1 53 53 TYR N N 15 121.173 0.034 . 1 . . . . 53 Tyr N . 16428 1 632 . 1 1 54 54 TRP H H 1 8.396 0.003 . 1 . . . . 54 Trp H . 16428 1 633 . 1 1 54 54 TRP HA H 1 4.684 0.012 . 1 . . . . 54 Trp HA . 16428 1 634 . 1 1 54 54 TRP HB2 H 1 2.961 0.004 . 2 . . . . 54 Trp HB2 . 16428 1 635 . 1 1 54 54 TRP HB3 H 1 3.083 0.002 . 2 . . . . 54 Trp HB3 . 16428 1 636 . 1 1 54 54 TRP HD1 H 1 7.421 0.003 . 1 . . . . 54 Trp HD1 . 16428 1 637 . 1 1 54 54 TRP HE1 H 1 9.703 0.002 . 1 . . . . 54 Trp HE1 . 16428 1 638 . 1 1 54 54 TRP CA C 13 56.550 0.049 . 1 . . . . 54 Trp CA . 16428 1 639 . 1 1 54 54 TRP CB C 13 28.692 0.078 . 1 . . . . 54 Trp CB . 16428 1 640 . 1 1 54 54 TRP CD1 C 13 127.327 0.045 . 1 . . . . 54 Trp CD1 . 16428 1 641 . 1 1 54 54 TRP N N 15 127.870 0.018 . 1 . . . . 54 Trp N . 16428 1 642 . 1 1 54 54 TRP NE1 N 15 130.344 0.025 . 1 . . . . 54 Trp NE1 . 16428 1 643 . 1 1 55 55 HIS H H 1 8.995 0.003 . 1 . . . . 55 His H . 16428 1 644 . 1 1 55 55 HIS HA H 1 3.984 0.005 . 1 . . . . 55 His HA . 16428 1 645 . 1 1 55 55 HIS HB2 H 1 2.389 0.004 . 2 . . . . 55 His HB2 . 16428 1 646 . 1 1 55 55 HIS HB3 H 1 2.889 0.004 . 2 . . . . 55 His HB3 . 16428 1 647 . 1 1 55 55 HIS HD2 H 1 7.013 0.000 . 1 . . . . 55 His HD2 . 16428 1 648 . 1 1 55 55 HIS C C 13 174.724 0.004 . 1 . . . . 55 His C . 16428 1 649 . 1 1 55 55 HIS CA C 13 55.858 0.059 . 1 . . . . 55 His CA . 16428 1 650 . 1 1 55 55 HIS CB C 13 33.862 0.046 . 1 . . . . 55 His CB . 16428 1 651 . 1 1 55 55 HIS N N 15 121.793 0.013 . 1 . . . . 55 His N . 16428 1 652 . 1 1 56 56 TYR H H 1 7.835 0.002 . 1 . . . . 56 Tyr H . 16428 1 653 . 1 1 56 56 TYR HA H 1 4.702 0.008 . 1 . . . . 56 Tyr HA . 16428 1 654 . 1 1 56 56 TYR HB2 H 1 0.808 0.003 . 2 . . . . 56 Tyr HB2 . 16428 1 655 . 1 1 56 56 TYR HB3 H 1 2.176 0.008 . 2 . . . . 56 Tyr HB3 . 16428 1 656 . 1 1 56 56 TYR HD1 H 1 6.456 0.001 . 3 . . . . 56 Tyr HD1 . 16428 1 657 . 1 1 56 56 TYR HD2 H 1 6.456 0.001 . 3 . . . . 56 Tyr HD2 . 16428 1 658 . 1 1 56 56 TYR C C 13 172.950 0.008 . 1 . . . . 56 Tyr C . 16428 1 659 . 1 1 56 56 TYR CA C 13 52.494 0.049 . 1 . . . . 56 Tyr CA . 16428 1 660 . 1 1 56 56 TYR CB C 13 36.962 0.064 . 1 . . . . 56 Tyr CB . 16428 1 661 . 1 1 56 56 TYR CD1 C 13 130.957 0.000 . 3 . . . . 56 Tyr CD1 . 16428 1 662 . 1 1 56 56 TYR CD2 C 13 130.957 0.000 . 3 . . . . 56 Tyr CD2 . 16428 1 663 . 1 1 56 56 TYR N N 15 121.308 0.026 . 1 . . . . 56 Tyr N . 16428 1 664 . 1 1 57 57 TYR H H 1 8.498 0.003 . 1 . . . . 57 Tyr H . 16428 1 665 . 1 1 57 57 TYR HA H 1 4.960 0.012 . 1 . . . . 57 Tyr HA . 16428 1 666 . 1 1 57 57 TYR HB2 H 1 1.653 0.004 . 2 . . . . 57 Tyr HB2 . 16428 1 667 . 1 1 57 57 TYR HB3 H 1 1.914 0.004 . 2 . . . . 57 Tyr HB3 . 16428 1 668 . 1 1 57 57 TYR HD1 H 1 5.999 0.004 . 3 . . . . 57 Tyr HD1 . 16428 1 669 . 1 1 57 57 TYR HD2 H 1 5.999 0.004 . 3 . . . . 57 Tyr HD2 . 16428 1 670 . 1 1 57 57 TYR HE1 H 1 6.476 0.000 . 3 . . . . 57 Tyr HE1 . 16428 1 671 . 1 1 57 57 TYR HE2 H 1 6.476 0.000 . 3 . . . . 57 Tyr HE2 . 16428 1 672 . 1 1 57 57 TYR C C 13 174.442 0.008 . 1 . . . . 57 Tyr C . 16428 1 673 . 1 1 57 57 TYR CA C 13 56.961 0.030 . 1 . . . . 57 Tyr CA . 16428 1 674 . 1 1 57 57 TYR CB C 13 42.100 0.037 . 1 . . . . 57 Tyr CB . 16428 1 675 . 1 1 57 57 TYR CD1 C 13 132.613 0.076 . 3 . . . . 57 Tyr CD1 . 16428 1 676 . 1 1 57 57 TYR CD2 C 13 132.613 0.076 . 3 . . . . 57 Tyr CD2 . 16428 1 677 . 1 1 57 57 TYR N N 15 118.194 0.016 . 1 . . . . 57 Tyr N . 16428 1 678 . 1 1 58 58 ALA H H 1 8.598 0.002 . 1 . . . . 58 Ala H . 16428 1 679 . 1 1 58 58 ALA HA H 1 4.675 0.013 . 1 . . . . 58 Ala HA . 16428 1 680 . 1 1 58 58 ALA HB1 H 1 1.441 0.002 . 1 . . . . 58 Ala HB1 . 16428 1 681 . 1 1 58 58 ALA HB2 H 1 1.441 0.002 . 1 . . . . 58 Ala HB2 . 16428 1 682 . 1 1 58 58 ALA HB3 H 1 1.441 0.002 . 1 . . . . 58 Ala HB3 . 16428 1 683 . 1 1 58 58 ALA C C 13 177.832 0.006 . 1 . . . . 58 Ala C . 16428 1 684 . 1 1 58 58 ALA CA C 13 50.252 0.039 . 1 . . . . 58 Ala CA . 16428 1 685 . 1 1 58 58 ALA CB C 13 21.292 0.064 . 1 . . . . 58 Ala CB . 16428 1 686 . 1 1 58 58 ALA N N 15 123.498 0.017 . 1 . . . . 58 Ala N . 16428 1 687 . 1 1 59 59 LEU H H 1 8.602 0.001 . 1 . . . . 59 Leu H . 16428 1 688 . 1 1 59 59 LEU HA H 1 5.253 0.008 . 1 . . . . 59 Leu HA . 16428 1 689 . 1 1 59 59 LEU HB2 H 1 1.209 0.007 . 2 . . . . 59 Leu HB2 . 16428 1 690 . 1 1 59 59 LEU HB3 H 1 1.448 0.006 . 2 . . . . 59 Leu HB3 . 16428 1 691 . 1 1 59 59 LEU HD11 H 1 -0.048 0.003 . 2 . . . . 59 Leu HD11 . 16428 1 692 . 1 1 59 59 LEU HD12 H 1 -0.048 0.003 . 2 . . . . 59 Leu HD12 . 16428 1 693 . 1 1 59 59 LEU HD13 H 1 -0.048 0.003 . 2 . . . . 59 Leu HD13 . 16428 1 694 . 1 1 59 59 LEU HD21 H 1 0.468 0.002 . 2 . . . . 59 Leu HD21 . 16428 1 695 . 1 1 59 59 LEU HD22 H 1 0.468 0.002 . 2 . . . . 59 Leu HD22 . 16428 1 696 . 1 1 59 59 LEU HD23 H 1 0.468 0.002 . 2 . . . . 59 Leu HD23 . 16428 1 697 . 1 1 59 59 LEU HG H 1 0.997 0.005 . 1 . . . . 59 Leu HG . 16428 1 698 . 1 1 59 59 LEU C C 13 180.267 0.011 . 1 . . . . 59 Leu C . 16428 1 699 . 1 1 59 59 LEU CA C 13 52.977 0.029 . 1 . . . . 59 Leu CA . 16428 1 700 . 1 1 59 59 LEU CB C 13 42.333 0.018 . 1 . . . . 59 Leu CB . 16428 1 701 . 1 1 59 59 LEU CD1 C 13 22.380 0.052 . 2 . . . . 59 Leu CD1 . 16428 1 702 . 1 1 59 59 LEU CD2 C 13 25.081 0.037 . 2 . . . . 59 Leu CD2 . 16428 1 703 . 1 1 59 59 LEU CG C 13 27.359 0.028 . 1 . . . . 59 Leu CG . 16428 1 704 . 1 1 59 59 LEU N N 15 122.210 0.028 . 1 . . . . 59 Leu N . 16428 1 705 . 1 1 60 60 SER H H 1 8.799 0.003 . 1 . . . . 60 Ser H . 16428 1 706 . 1 1 60 60 SER HA H 1 4.043 0.008 . 1 . . . . 60 Ser HA . 16428 1 707 . 1 1 60 60 SER HB2 H 1 3.890 0.005 . 2 . . . . 60 Ser HB2 . 16428 1 708 . 1 1 60 60 SER HB3 H 1 4.132 0.007 . 2 . . . . 60 Ser HB3 . 16428 1 709 . 1 1 60 60 SER C C 13 174.259 0.000 . 1 . . . . 60 Ser C . 16428 1 710 . 1 1 60 60 SER CA C 13 61.234 0.035 . 1 . . . . 60 Ser CA . 16428 1 711 . 1 1 60 60 SER CB C 13 62.858 0.076 . 1 . . . . 60 Ser CB . 16428 1 712 . 1 1 60 60 SER N N 15 117.120 0.021 . 1 . . . . 60 Ser N . 16428 1 713 . 1 1 61 61 ASP H H 1 7.607 0.008 . 1 . . . . 61 Asp H . 16428 1 714 . 1 1 61 61 ASP HA H 1 4.405 0.003 . 1 . . . . 61 Asp HA . 16428 1 715 . 1 1 61 61 ASP HB2 H 1 2.309 0.011 . 2 . . . . 61 Asp HB2 . 16428 1 716 . 1 1 61 61 ASP HB3 H 1 2.438 0.010 . 2 . . . . 61 Asp HB3 . 16428 1 717 . 1 1 61 61 ASP C C 13 175.377 0.032 . 1 . . . . 61 Asp C . 16428 1 718 . 1 1 61 61 ASP CA C 13 52.653 0.045 . 1 . . . . 61 Asp CA . 16428 1 719 . 1 1 61 61 ASP CB C 13 40.270 0.065 . 1 . . . . 61 Asp CB . 16428 1 720 . 1 1 61 61 ASP N N 15 118.983 0.044 . 1 . . . . 61 Asp N . 16428 1 721 . 1 1 62 62 GLY H H 1 7.432 0.003 . 1 . . . . 62 Gly H . 16428 1 722 . 1 1 62 62 GLY HA2 H 1 3.953 0.007 . 2 . . . . 62 Gly HA2 . 16428 1 723 . 1 1 62 62 GLY HA3 H 1 4.413 0.007 . 2 . . . . 62 Gly HA3 . 16428 1 724 . 1 1 62 62 GLY C C 13 175.777 0.000 . 1 . . . . 62 Gly C . 16428 1 725 . 1 1 62 62 GLY CA C 13 44.849 0.031 . 1 . . . . 62 Gly CA . 16428 1 726 . 1 1 62 62 GLY N N 15 105.642 0.015 . 1 . . . . 62 Gly N . 16428 1 727 . 1 1 63 63 GLY H H 1 7.949 0.008 . 1 . . . . 63 Gly H . 16428 1 728 . 1 1 63 63 GLY HA2 H 1 3.699 0.006 . 2 . . . . 63 Gly HA2 . 16428 1 729 . 1 1 63 63 GLY HA3 H 1 4.616 0.008 . 2 . . . . 63 Gly HA3 . 16428 1 730 . 1 1 63 63 GLY C C 13 170.408 0.018 . 1 . . . . 63 Gly C . 16428 1 731 . 1 1 63 63 GLY CA C 13 44.769 0.033 . 1 . . . . 63 Gly CA . 16428 1 732 . 1 1 63 63 GLY N N 15 104.981 0.033 . 1 . . . . 63 Gly N . 16428 1 733 . 1 1 64 64 PHE H H 1 8.738 0.002 . 1 . . . . 64 Phe H . 16428 1 734 . 1 1 64 64 PHE HA H 1 4.943 0.012 . 1 . . . . 64 Phe HA . 16428 1 735 . 1 1 64 64 PHE HB2 H 1 1.617 0.006 . 2 . . . . 64 Phe HB2 . 16428 1 736 . 1 1 64 64 PHE HB3 H 1 2.555 0.005 . 2 . . . . 64 Phe HB3 . 16428 1 737 . 1 1 64 64 PHE C C 13 172.780 0.000 . 1 . . . . 64 Phe C . 16428 1 738 . 1 1 64 64 PHE CA C 13 56.684 0.049 . 1 . . . . 64 Phe CA . 16428 1 739 . 1 1 64 64 PHE CB C 13 39.542 0.040 . 1 . . . . 64 Phe CB . 16428 1 740 . 1 1 64 64 PHE N N 15 116.970 0.022 . 1 . . . . 64 Phe N . 16428 1 741 . 1 1 65 65 TYR H H 1 8.676 0.002 . 1 . . . . 65 Tyr H . 16428 1 742 . 1 1 65 65 TYR HA H 1 4.268 0.007 . 1 . . . . 65 Tyr HA . 16428 1 743 . 1 1 65 65 TYR HB2 H 1 2.659 0.008 . 2 . . . . 65 Tyr HB2 . 16428 1 744 . 1 1 65 65 TYR HB3 H 1 3.467 0.005 . 2 . . . . 65 Tyr HB3 . 16428 1 745 . 1 1 65 65 TYR HD1 H 1 6.229 0.003 . 3 . . . . 65 Tyr HD1 . 16428 1 746 . 1 1 65 65 TYR HD2 H 1 6.229 0.003 . 3 . . . . 65 Tyr HD2 . 16428 1 747 . 1 1 65 65 TYR C C 13 171.343 0.015 . 1 . . . . 65 Tyr C . 16428 1 748 . 1 1 65 65 TYR CA C 13 57.915 0.067 . 1 . . . . 65 Tyr CA . 16428 1 749 . 1 1 65 65 TYR CB C 13 39.663 0.052 . 1 . . . . 65 Tyr CB . 16428 1 750 . 1 1 65 65 TYR CD1 C 13 132.278 0.028 . 3 . . . . 65 Tyr CD1 . 16428 1 751 . 1 1 65 65 TYR CD2 C 13 132.278 0.028 . 3 . . . . 65 Tyr CD2 . 16428 1 752 . 1 1 65 65 TYR N N 15 109.125 0.019 . 1 . . . . 65 Tyr N . 16428 1 753 . 1 1 66 66 MET H H 1 7.755 0.001 . 1 . . . . 66 Met H . 16428 1 754 . 1 1 66 66 MET HA H 1 5.669 0.008 . 1 . . . . 66 Met HA . 16428 1 755 . 1 1 66 66 MET HB2 H 1 2.464 0.006 . 2 . . . . 66 Met HB2 . 16428 1 756 . 1 1 66 66 MET HB3 H 1 2.714 0.006 . 2 . . . . 66 Met HB3 . 16428 1 757 . 1 1 66 66 MET HE1 H 1 1.789 0.002 . 1 . . . . 66 Met HE1 . 16428 1 758 . 1 1 66 66 MET HE2 H 1 1.789 0.002 . 1 . . . . 66 Met HE2 . 16428 1 759 . 1 1 66 66 MET HE3 H 1 1.789 0.002 . 1 . . . . 66 Met HE3 . 16428 1 760 . 1 1 66 66 MET HG2 H 1 2.570 0.003 . 2 . . . . 66 Met HG2 . 16428 1 761 . 1 1 66 66 MET HG3 H 1 2.819 0.003 . 2 . . . . 66 Met HG3 . 16428 1 762 . 1 1 66 66 MET C C 13 173.717 0.015 . 1 . . . . 66 Met C . 16428 1 763 . 1 1 66 66 MET CA C 13 54.143 0.063 . 1 . . . . 66 Met CA . 16428 1 764 . 1 1 66 66 MET CB C 13 39.146 0.033 . 1 . . . . 66 Met CB . 16428 1 765 . 1 1 66 66 MET CE C 13 16.130 0.020 . 1 . . . . 66 Met CE . 16428 1 766 . 1 1 66 66 MET CG C 13 30.795 0.068 . 1 . . . . 66 Met CG . 16428 1 767 . 1 1 66 66 MET N N 15 116.443 0.024 . 1 . . . . 66 Met N . 16428 1 768 . 1 1 67 67 ALA H H 1 9.157 0.003 . 1 . . . . 67 Ala H . 16428 1 769 . 1 1 67 67 ALA HA H 1 5.105 0.012 . 1 . . . . 67 Ala HA . 16428 1 770 . 1 1 67 67 ALA HB1 H 1 1.864 0.003 . 1 . . . . 67 Ala HB1 . 16428 1 771 . 1 1 67 67 ALA HB2 H 1 1.864 0.003 . 1 . . . . 67 Ala HB2 . 16428 1 772 . 1 1 67 67 ALA HB3 H 1 1.864 0.003 . 1 . . . . 67 Ala HB3 . 16428 1 773 . 1 1 67 67 ALA C C 13 173.156 0.000 . 1 . . . . 67 Ala C . 16428 1 774 . 1 1 67 67 ALA CA C 13 50.002 0.019 . 1 . . . . 67 Ala CA . 16428 1 775 . 1 1 67 67 ALA CB C 13 22.517 0.026 . 1 . . . . 67 Ala CB . 16428 1 776 . 1 1 67 67 ALA N N 15 120.954 0.022 . 1 . . . . 67 Ala N . 16428 1 777 . 1 1 68 68 PRO HA H 1 3.563 0.005 . 1 . . . . 68 Pro HA . 16428 1 778 . 1 1 68 68 PRO HB2 H 1 0.462 0.005 . 2 . . . . 68 Pro HB2 . 16428 1 779 . 1 1 68 68 PRO HB3 H 1 1.131 0.004 . 2 . . . . 68 Pro HB3 . 16428 1 780 . 1 1 68 68 PRO HD2 H 1 2.599 0.003 . 2 . . . . 68 Pro HD2 . 16428 1 781 . 1 1 68 68 PRO HD3 H 1 3.616 0.005 . 2 . . . . 68 Pro HD3 . 16428 1 782 . 1 1 68 68 PRO HG2 H 1 1.331 0.006 . 2 . . . . 68 Pro HG2 . 16428 1 783 . 1 1 68 68 PRO HG3 H 1 1.777 0.003 . 2 . . . . 68 Pro HG3 . 16428 1 784 . 1 1 68 68 PRO C C 13 176.401 0.015 . 1 . . . . 68 Pro C . 16428 1 785 . 1 1 68 68 PRO CA C 13 61.267 0.047 . 1 . . . . 68 Pro CA . 16428 1 786 . 1 1 68 68 PRO CB C 13 31.275 0.031 . 1 . . . . 68 Pro CB . 16428 1 787 . 1 1 68 68 PRO CD C 13 48.384 0.050 . 1 . . . . 68 Pro CD . 16428 1 788 . 1 1 68 68 PRO CG C 13 25.974 0.054 . 1 . . . . 68 Pro CG . 16428 1 789 . 1 1 69 69 ASP H H 1 9.118 0.003 . 1 . . . . 69 Asp H . 16428 1 790 . 1 1 69 69 ASP HA H 1 4.643 0.012 . 1 . . . . 69 Asp HA . 16428 1 791 . 1 1 69 69 ASP HB2 H 1 1.671 0.004 . 2 . . . . 69 Asp HB2 . 16428 1 792 . 1 1 69 69 ASP HB3 H 1 2.842 0.006 . 2 . . . . 69 Asp HB3 . 16428 1 793 . 1 1 69 69 ASP C C 13 174.774 0.002 . 1 . . . . 69 Asp C . 16428 1 794 . 1 1 69 69 ASP CA C 13 52.954 0.069 . 1 . . . . 69 Asp CA . 16428 1 795 . 1 1 69 69 ASP CB C 13 40.100 0.045 . 1 . . . . 69 Asp CB . 16428 1 796 . 1 1 69 69 ASP N N 15 122.087 0.019 . 1 . . . . 69 Asp N . 16428 1 797 . 1 1 70 70 LEU H H 1 6.985 0.002 . 1 . . . . 70 Leu H . 16428 1 798 . 1 1 70 70 LEU HA H 1 4.648 0.010 . 1 . . . . 70 Leu HA . 16428 1 799 . 1 1 70 70 LEU HB2 H 1 1.326 0.010 . 2 . . . . 70 Leu HB2 . 16428 1 800 . 1 1 70 70 LEU HB3 H 1 1.543 0.005 . 2 . . . . 70 Leu HB3 . 16428 1 801 . 1 1 70 70 LEU HD11 H 1 0.936 0.011 . 2 . . . . 70 Leu HD11 . 16428 1 802 . 1 1 70 70 LEU HD12 H 1 0.936 0.011 . 2 . . . . 70 Leu HD12 . 16428 1 803 . 1 1 70 70 LEU HD13 H 1 0.936 0.011 . 2 . . . . 70 Leu HD13 . 16428 1 804 . 1 1 70 70 LEU HD21 H 1 1.058 0.004 . 2 . . . . 70 Leu HD21 . 16428 1 805 . 1 1 70 70 LEU HD22 H 1 1.058 0.004 . 2 . . . . 70 Leu HD22 . 16428 1 806 . 1 1 70 70 LEU HD23 H 1 1.058 0.004 . 2 . . . . 70 Leu HD23 . 16428 1 807 . 1 1 70 70 LEU C C 13 175.447 0.007 . 1 . . . . 70 Leu C . 16428 1 808 . 1 1 70 70 LEU CA C 13 53.028 0.063 . 1 . . . . 70 Leu CA . 16428 1 809 . 1 1 70 70 LEU CB C 13 46.270 0.031 . 1 . . . . 70 Leu CB . 16428 1 810 . 1 1 70 70 LEU CD1 C 13 25.924 0.032 . 2 . . . . 70 Leu CD1 . 16428 1 811 . 1 1 70 70 LEU CD2 C 13 23.891 0.007 . 2 . . . . 70 Leu CD2 . 16428 1 812 . 1 1 70 70 LEU N N 15 123.731 0.014 . 1 . . . . 70 Leu N . 16428 1 813 . 1 1 71 71 ALA H H 1 8.497 0.004 . 1 . . . . 71 Ala H . 16428 1 814 . 1 1 71 71 ALA HA H 1 4.447 0.007 . 1 . . . . 71 Ala HA . 16428 1 815 . 1 1 71 71 ALA HB1 H 1 1.394 0.004 . 1 . . . . 71 Ala HB1 . 16428 1 816 . 1 1 71 71 ALA HB2 H 1 1.394 0.004 . 1 . . . . 71 Ala HB2 . 16428 1 817 . 1 1 71 71 ALA HB3 H 1 1.394 0.004 . 1 . . . . 71 Ala HB3 . 16428 1 818 . 1 1 71 71 ALA C C 13 178.136 0.002 . 1 . . . . 71 Ala C . 16428 1 819 . 1 1 71 71 ALA CA C 13 51.776 0.031 . 1 . . . . 71 Ala CA . 16428 1 820 . 1 1 71 71 ALA CB C 13 20.217 0.054 . 1 . . . . 71 Ala CB . 16428 1 821 . 1 1 71 71 ALA N N 15 125.392 0.016 . 1 . . . . 71 Ala N . 16428 1 822 . 1 1 72 72 GLY H H 1 8.476 0.003 . 1 . . . . 72 Gly H . 16428 1 823 . 1 1 72 72 GLY HA2 H 1 3.833 0.006 . 2 . . . . 72 Gly HA2 . 16428 1 824 . 1 1 72 72 GLY HA3 H 1 4.030 0.007 . 2 . . . . 72 Gly HA3 . 16428 1 825 . 1 1 72 72 GLY C C 13 173.855 0.013 . 1 . . . . 72 Gly C . 16428 1 826 . 1 1 72 72 GLY CA C 13 44.902 0.025 . 1 . . . . 72 Gly CA . 16428 1 827 . 1 1 72 72 GLY N N 15 106.561 0.018 . 1 . . . . 72 Gly N . 16428 1 828 . 1 1 73 73 ARG H H 1 8.429 0.002 . 1 . . . . 73 Arg H . 16428 1 829 . 1 1 73 73 ARG HA H 1 4.462 0.007 . 1 . . . . 73 Arg HA . 16428 1 830 . 1 1 73 73 ARG HB2 H 1 1.383 0.009 . 2 . . . . 73 Arg HB2 . 16428 1 831 . 1 1 73 73 ARG HB3 H 1 1.644 0.009 . 2 . . . . 73 Arg HB3 . 16428 1 832 . 1 1 73 73 ARG HD2 H 1 2.995 0.004 . 2 . . . . 73 Arg HD2 . 16428 1 833 . 1 1 73 73 ARG HD3 H 1 3.066 0.003 . 2 . . . . 73 Arg HD3 . 16428 1 834 . 1 1 73 73 ARG HE H 1 7.280 0.005 . 1 . . . . 73 Arg HE . 16428 1 835 . 1 1 73 73 ARG HG2 H 1 1.413 0.006 . 2 . . . . 73 Arg HG2 . 16428 1 836 . 1 1 73 73 ARG HG3 H 1 1.637 0.007 . 2 . . . . 73 Arg HG3 . 16428 1 837 . 1 1 73 73 ARG C C 13 175.672 0.003 . 1 . . . . 73 Arg C . 16428 1 838 . 1 1 73 73 ARG CA C 13 54.987 0.065 . 1 . . . . 73 Arg CA . 16428 1 839 . 1 1 73 73 ARG CB C 13 31.911 0.037 . 1 . . . . 73 Arg CB . 16428 1 840 . 1 1 73 73 ARG CD C 13 42.715 0.007 . 1 . . . . 73 Arg CD . 16428 1 841 . 1 1 73 73 ARG CG C 13 27.631 0.053 . 1 . . . . 73 Arg CG . 16428 1 842 . 1 1 73 73 ARG N N 15 119.329 0.009 . 1 . . . . 73 Arg N . 16428 1 843 . 1 1 73 73 ARG NE N 15 84.132 0.004 . 1 . . . . 73 Arg NE . 16428 1 844 . 1 1 74 74 LEU H H 1 9.282 0.003 . 1 . . . . 74 Leu H . 16428 1 845 . 1 1 74 74 LEU HA H 1 4.515 0.008 . 1 . . . . 74 Leu HA . 16428 1 846 . 1 1 74 74 LEU HB2 H 1 1.564 0.006 . 2 . . . . 74 Leu HB2 . 16428 1 847 . 1 1 74 74 LEU HB3 H 1 1.564 0.007 . 2 . . . . 74 Leu HB3 . 16428 1 848 . 1 1 74 74 LEU HD11 H 1 0.760 0.012 . 1 . . . . 74 Leu HD11 . 16428 1 849 . 1 1 74 74 LEU HD12 H 1 0.760 0.012 . 1 . . . . 74 Leu HD12 . 16428 1 850 . 1 1 74 74 LEU HD13 H 1 0.760 0.012 . 1 . . . . 74 Leu HD13 . 16428 1 851 . 1 1 74 74 LEU HD21 H 1 0.760 0.012 . 1 . . . . 74 Leu HD21 . 16428 1 852 . 1 1 74 74 LEU HD22 H 1 0.760 0.012 . 1 . . . . 74 Leu HD22 . 16428 1 853 . 1 1 74 74 LEU HD23 H 1 0.760 0.012 . 1 . . . . 74 Leu HD23 . 16428 1 854 . 1 1 74 74 LEU HG H 1 1.621 0.004 . 1 . . . . 74 Leu HG . 16428 1 855 . 1 1 74 74 LEU C C 13 175.647 0.027 . 1 . . . . 74 Leu C . 16428 1 856 . 1 1 74 74 LEU CA C 13 54.041 0.065 . 1 . . . . 74 Leu CA . 16428 1 857 . 1 1 74 74 LEU CB C 13 43.417 0.023 . 1 . . . . 74 Leu CB . 16428 1 858 . 1 1 74 74 LEU CD1 C 13 25.167 0.029 . 1 . . . . 74 Leu CD1 . 16428 1 859 . 1 1 74 74 LEU CD2 C 13 25.167 0.029 . 1 . . . . 74 Leu CD2 . 16428 1 860 . 1 1 74 74 LEU CG C 13 28.069 0.069 . 1 . . . . 74 Leu CG . 16428 1 861 . 1 1 74 74 LEU N N 15 124.696 0.010 . 1 . . . . 74 Leu N . 16428 1 862 . 1 1 75 75 GLU H H 1 8.845 0.003 . 1 . . . . 75 Glu H . 16428 1 863 . 1 1 75 75 GLU HA H 1 4.468 0.005 . 1 . . . . 75 Glu HA . 16428 1 864 . 1 1 75 75 GLU HB2 H 1 2.008 0.029 . 2 . . . . 75 Glu HB2 . 16428 1 865 . 1 1 75 75 GLU HB3 H 1 2.070 0.003 . 2 . . . . 75 Glu HB3 . 16428 1 866 . 1 1 75 75 GLU HG2 H 1 2.155 0.015 . 2 . . . . 75 Glu HG2 . 16428 1 867 . 1 1 75 75 GLU HG3 H 1 2.162 0.016 . 2 . . . . 75 Glu HG3 . 16428 1 868 . 1 1 75 75 GLU C C 13 175.465 0.022 . 1 . . . . 75 Glu C . 16428 1 869 . 1 1 75 75 GLU CA C 13 56.774 0.030 . 1 . . . . 75 Glu CA . 16428 1 870 . 1 1 75 75 GLU CB C 13 29.367 0.079 . 1 . . . . 75 Glu CB . 16428 1 871 . 1 1 75 75 GLU CG C 13 36.546 0.002 . 1 . . . . 75 Glu CG . 16428 1 872 . 1 1 75 75 GLU N N 15 122.574 0.029 . 1 . . . . 75 Glu N . 16428 1 873 . 1 1 76 76 ILE H H 1 8.871 0.005 . 1 . . . . 76 Ile H . 16428 1 874 . 1 1 76 76 ILE HA H 1 5.237 0.006 . 1 . . . . 76 Ile HA . 16428 1 875 . 1 1 76 76 ILE HB H 1 2.083 0.008 . 1 . . . . 76 Ile HB . 16428 1 876 . 1 1 76 76 ILE HD11 H 1 0.741 0.005 . 1 . . . . 76 Ile HD11 . 16428 1 877 . 1 1 76 76 ILE HD12 H 1 0.741 0.005 . 1 . . . . 76 Ile HD12 . 16428 1 878 . 1 1 76 76 ILE HD13 H 1 0.741 0.005 . 1 . . . . 76 Ile HD13 . 16428 1 879 . 1 1 76 76 ILE HG12 H 1 1.320 0.002 . 2 . . . . 76 Ile HG12 . 16428 1 880 . 1 1 76 76 ILE HG13 H 1 1.685 0.005 . 2 . . . . 76 Ile HG13 . 16428 1 881 . 1 1 76 76 ILE HG21 H 1 0.923 0.003 . 1 . . . . 76 Ile HG21 . 16428 1 882 . 1 1 76 76 ILE HG22 H 1 0.923 0.003 . 1 . . . . 76 Ile HG22 . 16428 1 883 . 1 1 76 76 ILE HG23 H 1 0.923 0.003 . 1 . . . . 76 Ile HG23 . 16428 1 884 . 1 1 76 76 ILE C C 13 174.788 0.008 . 1 . . . . 76 Ile C . 16428 1 885 . 1 1 76 76 ILE CA C 13 56.906 0.043 . 1 . . . . 76 Ile CA . 16428 1 886 . 1 1 76 76 ILE CB C 13 39.387 0.030 . 1 . . . . 76 Ile CB . 16428 1 887 . 1 1 76 76 ILE CD1 C 13 11.947 0.021 . 1 . . . . 76 Ile CD1 . 16428 1 888 . 1 1 76 76 ILE CG1 C 13 26.968 0.045 . 1 . . . . 76 Ile CG1 . 16428 1 889 . 1 1 76 76 ILE CG2 C 13 17.908 0.036 . 1 . . . . 76 Ile CG2 . 16428 1 890 . 1 1 76 76 ILE N N 15 127.601 0.015 . 1 . . . . 76 Ile N . 16428 1 891 . 1 1 77 77 GLU H H 1 8.965 0.003 . 1 . . . . 77 Glu H . 16428 1 892 . 1 1 77 77 GLU HA H 1 5.320 0.011 . 1 . . . . 77 Glu HA . 16428 1 893 . 1 1 77 77 GLU HB2 H 1 1.974 0.005 . 2 . . . . 77 Glu HB2 . 16428 1 894 . 1 1 77 77 GLU HB3 H 1 2.079 0.007 . 2 . . . . 77 Glu HB3 . 16428 1 895 . 1 1 77 77 GLU HG2 H 1 2.126 0.008 . 2 . . . . 77 Glu HG2 . 16428 1 896 . 1 1 77 77 GLU HG3 H 1 2.284 0.004 . 2 . . . . 77 Glu HG3 . 16428 1 897 . 1 1 77 77 GLU C C 13 175.187 0.013 . 1 . . . . 77 Glu C . 16428 1 898 . 1 1 77 77 GLU CA C 13 54.908 0.029 . 1 . . . . 77 Glu CA . 16428 1 899 . 1 1 77 77 GLU CB C 13 33.285 0.078 . 1 . . . . 77 Glu CB . 16428 1 900 . 1 1 77 77 GLU CG C 13 36.366 0.003 . 1 . . . . 77 Glu CG . 16428 1 901 . 1 1 77 77 GLU N N 15 125.215 0.022 . 1 . . . . 77 Glu N . 16428 1 902 . 1 1 78 78 VAL H H 1 9.014 0.007 . 1 . . . . 78 Val H . 16428 1 903 . 1 1 78 78 VAL HA H 1 4.272 0.006 . 1 . . . . 78 Val HA . 16428 1 904 . 1 1 78 78 VAL HB H 1 2.948 0.004 . 1 . . . . 78 Val HB . 16428 1 905 . 1 1 78 78 VAL HG11 H 1 1.109 0.004 . 2 . . . . 78 Val HG11 . 16428 1 906 . 1 1 78 78 VAL HG12 H 1 1.109 0.004 . 2 . . . . 78 Val HG12 . 16428 1 907 . 1 1 78 78 VAL HG13 H 1 1.109 0.004 . 2 . . . . 78 Val HG13 . 16428 1 908 . 1 1 78 78 VAL HG21 H 1 1.141 0.003 . 2 . . . . 78 Val HG21 . 16428 1 909 . 1 1 78 78 VAL HG22 H 1 1.141 0.003 . 2 . . . . 78 Val HG22 . 16428 1 910 . 1 1 78 78 VAL HG23 H 1 1.141 0.003 . 2 . . . . 78 Val HG23 . 16428 1 911 . 1 1 78 78 VAL C C 13 176.348 0.016 . 1 . . . . 78 Val C . 16428 1 912 . 1 1 78 78 VAL CA C 13 61.383 0.070 . 1 . . . . 78 Val CA . 16428 1 913 . 1 1 78 78 VAL CB C 13 32.054 0.076 . 1 . . . . 78 Val CB . 16428 1 914 . 1 1 78 78 VAL CG1 C 13 22.588 0.059 . 2 . . . . 78 Val CG1 . 16428 1 915 . 1 1 78 78 VAL CG2 C 13 20.146 0.015 . 2 . . . . 78 Val CG2 . 16428 1 916 . 1 1 78 78 VAL N N 15 125.272 0.024 . 1 . . . . 78 Val N . 16428 1 917 . 1 1 79 79 ASN H H 1 8.986 0.003 . 1 . . . . 79 Asn H . 16428 1 918 . 1 1 79 79 ASN HA H 1 4.494 0.011 . 1 . . . . 79 Asn HA . 16428 1 919 . 1 1 79 79 ASN HB2 H 1 2.764 0.013 . 2 . . . . 79 Asn HB2 . 16428 1 920 . 1 1 79 79 ASN HB3 H 1 2.837 0.014 . 2 . . . . 79 Asn HB3 . 16428 1 921 . 1 1 79 79 ASN HD21 H 1 7.022 0.002 . 1 . . . . 79 Asn HD21 . 16428 1 922 . 1 1 79 79 ASN HD22 H 1 7.739 0.002 . 1 . . . . 79 Asn HD22 . 16428 1 923 . 1 1 79 79 ASN C C 13 178.019 0.006 . 1 . . . . 79 Asn C . 16428 1 924 . 1 1 79 79 ASN CA C 13 56.627 0.055 . 1 . . . . 79 Asn CA . 16428 1 925 . 1 1 79 79 ASN CB C 13 38.898 0.068 . 1 . . . . 79 Asn CB . 16428 1 926 . 1 1 79 79 ASN CG C 13 176.238 0.014 . 1 . . . . 79 Asn CG . 16428 1 927 . 1 1 79 79 ASN N N 15 125.368 0.013 . 1 . . . . 79 Asn N . 16428 1 928 . 1 1 79 79 ASN ND2 N 15 112.648 0.017 . 1 . . . . 79 Asn ND2 . 16428 1 929 . 1 1 80 80 GLY H H 1 8.836 0.002 . 1 . . . . 80 Gly H . 16428 1 930 . 1 1 80 80 GLY HA2 H 1 3.848 0.007 . 2 . . . . 80 Gly HA2 . 16428 1 931 . 1 1 80 80 GLY HA3 H 1 4.003 0.011 . 2 . . . . 80 Gly HA3 . 16428 1 932 . 1 1 80 80 GLY C C 13 174.389 0.002 . 1 . . . . 80 Gly C . 16428 1 933 . 1 1 80 80 GLY CA C 13 46.967 0.021 . 1 . . . . 80 Gly CA . 16428 1 934 . 1 1 80 80 GLY N N 15 106.183 0.010 . 1 . . . . 80 Gly N . 16428 1 935 . 1 1 81 81 ASN H H 1 7.174 0.001 . 1 . . . . 81 Asn H . 16428 1 936 . 1 1 81 81 ASN HA H 1 4.951 0.011 . 1 . . . . 81 Asn HA . 16428 1 937 . 1 1 81 81 ASN HB2 H 1 2.751 0.007 . 2 . . . . 81 Asn HB2 . 16428 1 938 . 1 1 81 81 ASN HB3 H 1 3.244 0.007 . 2 . . . . 81 Asn HB3 . 16428 1 939 . 1 1 81 81 ASN HD21 H 1 6.454 0.001 . 1 . . . . 81 Asn HD21 . 16428 1 940 . 1 1 81 81 ASN HD22 H 1 7.760 0.002 . 1 . . . . 81 Asn HD22 . 16428 1 941 . 1 1 81 81 ASN C C 13 177.510 0.009 . 1 . . . . 81 Asn C . 16428 1 942 . 1 1 81 81 ASN CA C 13 52.024 0.043 . 1 . . . . 81 Asn CA . 16428 1 943 . 1 1 81 81 ASN CB C 13 39.163 0.046 . 1 . . . . 81 Asn CB . 16428 1 944 . 1 1 81 81 ASN N N 15 114.460 0.014 . 1 . . . . 81 Asn N . 16428 1 945 . 1 1 81 81 ASN ND2 N 15 110.703 0.020 . 1 . . . . 81 Asn ND2 . 16428 1 946 . 1 1 82 82 GLY H H 1 7.966 0.002 . 1 . . . . 82 Gly H . 16428 1 947 . 1 1 82 82 GLY HA2 H 1 3.909 0.006 . 2 . . . . 82 Gly HA2 . 16428 1 948 . 1 1 82 82 GLY HA3 H 1 4.156 0.006 . 2 . . . . 82 Gly HA3 . 16428 1 949 . 1 1 82 82 GLY C C 13 174.372 0.013 . 1 . . . . 82 Gly C . 16428 1 950 . 1 1 82 82 GLY CA C 13 45.975 0.068 . 1 . . . . 82 Gly CA . 16428 1 951 . 1 1 82 82 GLY N N 15 108.538 0.014 . 1 . . . . 82 Gly N . 16428 1 952 . 1 1 83 83 PHE H H 1 8.720 0.002 . 1 . . . . 83 Phe H . 16428 1 953 . 1 1 83 83 PHE HA H 1 4.265 0.007 . 1 . . . . 83 Phe HA . 16428 1 954 . 1 1 83 83 PHE HB2 H 1 2.958 0.006 . 2 . . . . 83 Phe HB2 . 16428 1 955 . 1 1 83 83 PHE HB3 H 1 3.162 0.005 . 2 . . . . 83 Phe HB3 . 16428 1 956 . 1 1 83 83 PHE HD1 H 1 6.977 0.000 . 3 . . . . 83 Phe HD1 . 16428 1 957 . 1 1 83 83 PHE HD2 H 1 6.977 0.000 . 3 . . . . 83 Phe HD2 . 16428 1 958 . 1 1 83 83 PHE C C 13 174.789 0.028 . 1 . . . . 83 Phe C . 16428 1 959 . 1 1 83 83 PHE CA C 13 59.965 0.069 . 1 . . . . 83 Phe CA . 16428 1 960 . 1 1 83 83 PHE CB C 13 39.803 0.031 . 1 . . . . 83 Phe CB . 16428 1 961 . 1 1 83 83 PHE CD1 C 13 131.355 0.000 . 3 . . . . 83 Phe CD1 . 16428 1 962 . 1 1 83 83 PHE CD2 C 13 131.355 0.000 . 3 . . . . 83 Phe CD2 . 16428 1 963 . 1 1 83 83 PHE N N 15 123.137 0.017 . 1 . . . . 83 Phe N . 16428 1 964 . 1 1 84 84 ARG H H 1 7.199 0.002 . 1 . . . . 84 Arg H . 16428 1 965 . 1 1 84 84 ARG HA H 1 4.913 0.009 . 1 . . . . 84 Arg HA . 16428 1 966 . 1 1 84 84 ARG HB2 H 1 1.608 0.004 . 2 . . . . 84 Arg HB2 . 16428 1 967 . 1 1 84 84 ARG HB3 H 1 1.608 0.004 . 2 . . . . 84 Arg HB3 . 16428 1 968 . 1 1 84 84 ARG HD2 H 1 3.110 0.004 . 1 . . . . 84 Arg HD2 . 16428 1 969 . 1 1 84 84 ARG HD3 H 1 3.110 0.004 . 1 . . . . 84 Arg HD3 . 16428 1 970 . 1 1 84 84 ARG HE H 1 7.211 0.002 . 1 . . . . 84 Arg HE . 16428 1 971 . 1 1 84 84 ARG HG2 H 1 1.400 0.004 . 2 . . . . 84 Arg HG2 . 16428 1 972 . 1 1 84 84 ARG HG3 H 1 1.526 0.003 . 2 . . . . 84 Arg HG3 . 16428 1 973 . 1 1 84 84 ARG C C 13 174.716 0.012 . 1 . . . . 84 Arg C . 16428 1 974 . 1 1 84 84 ARG CA C 13 54.957 0.033 . 1 . . . . 84 Arg CA . 16428 1 975 . 1 1 84 84 ARG CB C 13 32.867 0.051 . 1 . . . . 84 Arg CB . 16428 1 976 . 1 1 84 84 ARG CD C 13 43.526 0.030 . 1 . . . . 84 Arg CD . 16428 1 977 . 1 1 84 84 ARG CG C 13 28.115 0.006 . 1 . . . . 84 Arg CG . 16428 1 978 . 1 1 84 84 ARG N N 15 128.014 0.017 . 1 . . . . 84 Arg N . 16428 1 979 . 1 1 84 84 ARG NE N 15 85.037 0.022 . 1 . . . . 84 Arg NE . 16428 1 980 . 1 1 85 85 GLY H H 1 8.265 0.003 . 1 . . . . 85 Gly H . 16428 1 981 . 1 1 85 85 GLY HA2 H 1 3.609 0.007 . 2 . . . . 85 Gly HA2 . 16428 1 982 . 1 1 85 85 GLY HA3 H 1 4.076 0.011 . 2 . . . . 85 Gly HA3 . 16428 1 983 . 1 1 85 85 GLY C C 13 170.773 0.016 . 1 . . . . 85 Gly C . 16428 1 984 . 1 1 85 85 GLY CA C 13 45.248 0.033 . 1 . . . . 85 Gly CA . 16428 1 985 . 1 1 85 85 GLY N N 15 111.656 0.012 . 1 . . . . 85 Gly N . 16428 1 986 . 1 1 86 86 GLU H H 1 8.275 0.007 . 1 . . . . 86 Glu H . 16428 1 987 . 1 1 86 86 GLU HA H 1 5.361 0.008 . 1 . . . . 86 Glu HA . 16428 1 988 . 1 1 86 86 GLU HB2 H 1 1.668 0.003 . 2 . . . . 86 Glu HB2 . 16428 1 989 . 1 1 86 86 GLU HB3 H 1 1.933 0.008 . 2 . . . . 86 Glu HB3 . 16428 1 990 . 1 1 86 86 GLU HG2 H 1 1.953 0.003 . 2 . . . . 86 Glu HG2 . 16428 1 991 . 1 1 86 86 GLU HG3 H 1 2.254 0.004 . 2 . . . . 86 Glu HG3 . 16428 1 992 . 1 1 86 86 GLU C C 13 176.140 0.022 . 1 . . . . 86 Glu C . 16428 1 993 . 1 1 86 86 GLU CA C 13 54.878 0.045 . 1 . . . . 86 Glu CA . 16428 1 994 . 1 1 86 86 GLU CB C 13 32.236 0.064 . 1 . . . . 86 Glu CB . 16428 1 995 . 1 1 86 86 GLU CG C 13 36.804 0.031 . 1 . . . . 86 Glu CG . 16428 1 996 . 1 1 86 86 GLU N N 15 118.692 0.031 . 1 . . . . 86 Glu N . 16428 1 997 . 1 1 87 87 LEU H H 1 8.903 0.003 . 1 . . . . 87 Leu H . 16428 1 998 . 1 1 87 87 LEU HA H 1 4.805 0.012 . 1 . . . . 87 Leu HA . 16428 1 999 . 1 1 87 87 LEU HB2 H 1 1.418 0.007 . 2 . . . . 87 Leu HB2 . 16428 1 1000 . 1 1 87 87 LEU HB3 H 1 1.875 0.006 . 2 . . . . 87 Leu HB3 . 16428 1 1001 . 1 1 87 87 LEU HD11 H 1 0.661 0.002 . 2 . . . . 87 Leu HD11 . 16428 1 1002 . 1 1 87 87 LEU HD12 H 1 0.661 0.002 . 2 . . . . 87 Leu HD12 . 16428 1 1003 . 1 1 87 87 LEU HD13 H 1 0.661 0.002 . 2 . . . . 87 Leu HD13 . 16428 1 1004 . 1 1 87 87 LEU HD21 H 1 0.813 0.002 . 2 . . . . 87 Leu HD21 . 16428 1 1005 . 1 1 87 87 LEU HD22 H 1 0.813 0.002 . 2 . . . . 87 Leu HD22 . 16428 1 1006 . 1 1 87 87 LEU HD23 H 1 0.813 0.002 . 2 . . . . 87 Leu HD23 . 16428 1 1007 . 1 1 87 87 LEU HG H 1 1.622 0.006 . 1 . . . . 87 Leu HG . 16428 1 1008 . 1 1 87 87 LEU C C 13 176.433 0.015 . 1 . . . . 87 Leu C . 16428 1 1009 . 1 1 87 87 LEU CA C 13 53.646 0.012 . 1 . . . . 87 Leu CA . 16428 1 1010 . 1 1 87 87 LEU CB C 13 47.124 0.031 . 1 . . . . 87 Leu CB . 16428 1 1011 . 1 1 87 87 LEU CD1 C 13 25.441 0.079 . 2 . . . . 87 Leu CD1 . 16428 1 1012 . 1 1 87 87 LEU CD2 C 13 24.747 0.043 . 2 . . . . 87 Leu CD2 . 16428 1 1013 . 1 1 87 87 LEU CG C 13 27.802 0.017 . 1 . . . . 87 Leu CG . 16428 1 1014 . 1 1 87 87 LEU N N 15 123.207 0.018 . 1 . . . . 87 Leu N . 16428 1 1015 . 1 1 88 88 SER H H 1 10.036 0.003 . 1 . . . . 88 Ser H . 16428 1 1016 . 1 1 88 88 SER HA H 1 4.392 0.007 . 1 . . . . 88 Ser HA . 16428 1 1017 . 1 1 88 88 SER HB2 H 1 4.208 0.018 . 2 . . . . 88 Ser HB2 . 16428 1 1018 . 1 1 88 88 SER HB3 H 1 4.217 0.005 . 2 . . . . 88 Ser HB3 . 16428 1 1019 . 1 1 88 88 SER C C 13 174.067 0.005 . 1 . . . . 88 Ser C . 16428 1 1020 . 1 1 88 88 SER CA C 13 59.160 0.046 . 1 . . . . 88 Ser CA . 16428 1 1021 . 1 1 88 88 SER CB C 13 63.768 0.052 . 1 . . . . 88 Ser CB . 16428 1 1022 . 1 1 88 88 SER N N 15 117.448 0.011 . 1 . . . . 88 Ser N . 16428 1 1023 . 1 1 89 89 ALA H H 1 8.920 0.003 . 1 . . . . 89 Ala H . 16428 1 1024 . 1 1 89 89 ALA HA H 1 3.925 0.005 . 1 . . . . 89 Ala HA . 16428 1 1025 . 1 1 89 89 ALA HB1 H 1 1.725 0.008 . 1 . . . . 89 Ala HB1 . 16428 1 1026 . 1 1 89 89 ALA HB2 H 1 1.725 0.008 . 1 . . . . 89 Ala HB2 . 16428 1 1027 . 1 1 89 89 ALA HB3 H 1 1.725 0.008 . 1 . . . . 89 Ala HB3 . 16428 1 1028 . 1 1 89 89 ALA C C 13 179.226 0.005 . 1 . . . . 89 Ala C . 16428 1 1029 . 1 1 89 89 ALA CA C 13 56.072 0.026 . 1 . . . . 89 Ala CA . 16428 1 1030 . 1 1 89 89 ALA CB C 13 19.068 0.047 . 1 . . . . 89 Ala CB . 16428 1 1031 . 1 1 89 89 ALA N N 15 122.832 0.028 . 1 . . . . 89 Ala N . 16428 1 1032 . 1 1 90 90 ASP H H 1 8.042 0.005 . 1 . . . . 90 Asp H . 16428 1 1033 . 1 1 90 90 ASP HA H 1 4.338 0.006 . 1 . . . . 90 Asp HA . 16428 1 1034 . 1 1 90 90 ASP HB2 H 1 2.647 0.004 . 2 . . . . 90 Asp HB2 . 16428 1 1035 . 1 1 90 90 ASP HB3 H 1 2.891 0.006 . 2 . . . . 90 Asp HB3 . 16428 1 1036 . 1 1 90 90 ASP C C 13 176.689 0.017 . 1 . . . . 90 Asp C . 16428 1 1037 . 1 1 90 90 ASP CA C 13 58.407 0.044 . 1 . . . . 90 Asp CA . 16428 1 1038 . 1 1 90 90 ASP CB C 13 44.093 0.032 . 1 . . . . 90 Asp CB . 16428 1 1039 . 1 1 90 90 ASP N N 15 116.083 0.012 . 1 . . . . 90 Asp N . 16428 1 1040 . 1 1 91 91 ALA H H 1 7.939 0.002 . 1 . . . . 91 Ala H . 16428 1 1041 . 1 1 91 91 ALA HA H 1 3.434 0.005 . 1 . . . . 91 Ala HA . 16428 1 1042 . 1 1 91 91 ALA HB1 H 1 1.211 0.004 . 1 . . . . 91 Ala HB1 . 16428 1 1043 . 1 1 91 91 ALA HB2 H 1 1.211 0.004 . 1 . . . . 91 Ala HB2 . 16428 1 1044 . 1 1 91 91 ALA HB3 H 1 1.211 0.004 . 1 . . . . 91 Ala HB3 . 16428 1 1045 . 1 1 91 91 ALA C C 13 179.039 0.016 . 1 . . . . 91 Ala C . 16428 1 1046 . 1 1 91 91 ALA CA C 13 54.491 0.051 . 1 . . . . 91 Ala CA . 16428 1 1047 . 1 1 91 91 ALA CB C 13 19.198 0.047 . 1 . . . . 91 Ala CB . 16428 1 1048 . 1 1 91 91 ALA N N 15 118.730 0.018 . 1 . . . . 91 Ala N . 16428 1 1049 . 1 1 92 92 ALA H H 1 9.124 0.002 . 1 . . . . 92 Ala H . 16428 1 1050 . 1 1 92 92 ALA HA H 1 3.712 0.007 . 1 . . . . 92 Ala HA . 16428 1 1051 . 1 1 92 92 ALA HB1 H 1 1.315 0.008 . 1 . . . . 92 Ala HB1 . 16428 1 1052 . 1 1 92 92 ALA HB2 H 1 1.315 0.008 . 1 . . . . 92 Ala HB2 . 16428 1 1053 . 1 1 92 92 ALA HB3 H 1 1.315 0.008 . 1 . . . . 92 Ala HB3 . 16428 1 1054 . 1 1 92 92 ALA C C 13 179.002 0.015 . 1 . . . . 92 Ala C . 16428 1 1055 . 1 1 92 92 ALA CA C 13 55.188 0.046 . 1 . . . . 92 Ala CA . 16428 1 1056 . 1 1 92 92 ALA CB C 13 18.400 0.057 . 1 . . . . 92 Ala CB . 16428 1 1057 . 1 1 92 92 ALA N N 15 119.603 0.009 . 1 . . . . 92 Ala N . 16428 1 1058 . 1 1 93 93 GLY H H 1 8.613 0.010 . 1 . . . . 93 Gly H . 16428 1 1059 . 1 1 93 93 GLY HA2 H 1 4.114 0.006 . 2 . . . . 93 Gly HA2 . 16428 1 1060 . 1 1 93 93 GLY HA3 H 1 4.493 0.005 . 2 . . . . 93 Gly HA3 . 16428 1 1061 . 1 1 93 93 GLY C C 13 176.735 0.009 . 1 . . . . 93 Gly C . 16428 1 1062 . 1 1 93 93 GLY CA C 13 48.020 0.059 . 1 . . . . 93 Gly CA . 16428 1 1063 . 1 1 93 93 GLY N N 15 106.122 0.026 . 1 . . . . 93 Gly N . 16428 1 1064 . 1 1 94 94 ILE H H 1 7.860 0.001 . 1 . . . . 94 Ile H . 16428 1 1065 . 1 1 94 94 ILE HA H 1 3.221 0.009 . 1 . . . . 94 Ile HA . 16428 1 1066 . 1 1 94 94 ILE HB H 1 1.748 0.006 . 1 . . . . 94 Ile HB . 16428 1 1067 . 1 1 94 94 ILE HD11 H 1 0.107 0.005 . 1 . . . . 94 Ile HD11 . 16428 1 1068 . 1 1 94 94 ILE HD12 H 1 0.107 0.005 . 1 . . . . 94 Ile HD12 . 16428 1 1069 . 1 1 94 94 ILE HD13 H 1 0.107 0.005 . 1 . . . . 94 Ile HD13 . 16428 1 1070 . 1 1 94 94 ILE HG12 H 1 0.367 0.018 . 2 . . . . 94 Ile HG12 . 16428 1 1071 . 1 1 94 94 ILE HG13 H 1 1.301 0.009 . 2 . . . . 94 Ile HG13 . 16428 1 1072 . 1 1 94 94 ILE HG21 H 1 -0.580 0.003 . 1 . . . . 94 Ile HG21 . 16428 1 1073 . 1 1 94 94 ILE HG22 H 1 -0.580 0.003 . 1 . . . . 94 Ile HG22 . 16428 1 1074 . 1 1 94 94 ILE HG23 H 1 -0.580 0.003 . 1 . . . . 94 Ile HG23 . 16428 1 1075 . 1 1 94 94 ILE C C 13 176.972 0.007 . 1 . . . . 94 Ile C . 16428 1 1076 . 1 1 94 94 ILE CA C 13 67.400 0.065 . 1 . . . . 94 Ile CA . 16428 1 1077 . 1 1 94 94 ILE CB C 13 37.187 0.041 . 1 . . . . 94 Ile CB . 16428 1 1078 . 1 1 94 94 ILE CD1 C 13 14.130 0.021 . 1 . . . . 94 Ile CD1 . 16428 1 1079 . 1 1 94 94 ILE CG1 C 13 29.104 0.037 . 1 . . . . 94 Ile CG1 . 16428 1 1080 . 1 1 94 94 ILE CG2 C 13 29.142 0.042 . 1 . . . . 94 Ile CG2 . 16428 1 1081 . 1 1 94 94 ILE N N 15 125.336 0.018 . 1 . . . . 94 Ile N . 16428 1 1082 . 1 1 95 95 VAL H H 1 7.808 0.002 . 1 . . . . 95 Val H . 16428 1 1083 . 1 1 95 95 VAL HA H 1 3.006 0.003 . 1 . . . . 95 Val HA . 16428 1 1084 . 1 1 95 95 VAL HB H 1 1.995 0.006 . 1 . . . . 95 Val HB . 16428 1 1085 . 1 1 95 95 VAL HG11 H 1 0.484 0.002 . 2 . . . . 95 Val HG11 . 16428 1 1086 . 1 1 95 95 VAL HG12 H 1 0.484 0.002 . 2 . . . . 95 Val HG12 . 16428 1 1087 . 1 1 95 95 VAL HG13 H 1 0.484 0.002 . 2 . . . . 95 Val HG13 . 16428 1 1088 . 1 1 95 95 VAL HG21 H 1 0.697 0.003 . 2 . . . . 95 Val HG21 . 16428 1 1089 . 1 1 95 95 VAL HG22 H 1 0.697 0.003 . 2 . . . . 95 Val HG22 . 16428 1 1090 . 1 1 95 95 VAL HG23 H 1 0.697 0.003 . 2 . . . . 95 Val HG23 . 16428 1 1091 . 1 1 95 95 VAL C C 13 176.627 0.009 . 1 . . . . 95 Val C . 16428 1 1092 . 1 1 95 95 VAL CA C 13 67.643 0.042 . 1 . . . . 95 Val CA . 16428 1 1093 . 1 1 95 95 VAL CB C 13 31.330 0.068 . 1 . . . . 95 Val CB . 16428 1 1094 . 1 1 95 95 VAL CG1 C 13 22.826 0.053 . 2 . . . . 95 Val CG1 . 16428 1 1095 . 1 1 95 95 VAL CG2 C 13 24.584 0.059 . 2 . . . . 95 Val CG2 . 16428 1 1096 . 1 1 95 95 VAL N N 15 118.495 0.013 . 1 . . . . 95 Val N . 16428 1 1097 . 1 1 96 96 ALA H H 1 8.917 0.002 . 1 . . . . 96 Ala H . 16428 1 1098 . 1 1 96 96 ALA HA H 1 3.935 0.008 . 1 . . . . 96 Ala HA . 16428 1 1099 . 1 1 96 96 ALA HB1 H 1 1.827 0.007 . 1 . . . . 96 Ala HB1 . 16428 1 1100 . 1 1 96 96 ALA HB2 H 1 1.827 0.007 . 1 . . . . 96 Ala HB2 . 16428 1 1101 . 1 1 96 96 ALA HB3 H 1 1.827 0.007 . 1 . . . . 96 Ala HB3 . 16428 1 1102 . 1 1 96 96 ALA C C 13 179.244 0.000 . 1 . . . . 96 Ala C . 16428 1 1103 . 1 1 96 96 ALA CA C 13 56.456 0.080 . 1 . . . . 96 Ala CA . 16428 1 1104 . 1 1 96 96 ALA CB C 13 18.240 0.033 . 1 . . . . 96 Ala CB . 16428 1 1105 . 1 1 96 96 ALA N N 15 120.569 0.013 . 1 . . . . 96 Ala N . 16428 1 1106 . 1 1 97 97 THR H H 1 8.763 0.001 . 1 . . . . 97 Thr H . 16428 1 1107 . 1 1 97 97 THR HA H 1 4.284 0.006 . 1 . . . . 97 Thr HA . 16428 1 1108 . 1 1 97 97 THR HB H 1 3.894 0.002 . 1 . . . . 97 Thr HB . 16428 1 1109 . 1 1 97 97 THR HG21 H 1 0.838 0.003 . 1 . . . . 97 Thr HG21 . 16428 1 1110 . 1 1 97 97 THR HG22 H 1 0.838 0.003 . 1 . . . . 97 Thr HG22 . 16428 1 1111 . 1 1 97 97 THR HG23 H 1 0.838 0.003 . 1 . . . . 97 Thr HG23 . 16428 1 1112 . 1 1 97 97 THR C C 13 176.511 0.010 . 1 . . . . 97 Thr C . 16428 1 1113 . 1 1 97 97 THR CA C 13 68.202 0.047 . 1 . . . . 97 Thr CA . 16428 1 1114 . 1 1 97 97 THR CB C 13 68.492 0.026 . 1 . . . . 97 Thr CB . 16428 1 1115 . 1 1 97 97 THR CG2 C 13 21.796 0.047 . 1 . . . . 97 Thr CG2 . 16428 1 1116 . 1 1 97 97 THR N N 15 113.154 0.032 . 1 . . . . 97 Thr N . 16428 1 1117 . 1 1 98 98 LEU H H 1 8.427 0.002 . 1 . . . . 98 Leu H . 16428 1 1118 . 1 1 98 98 LEU HA H 1 3.803 0.006 . 1 . . . . 98 Leu HA . 16428 1 1119 . 1 1 98 98 LEU HB2 H 1 0.979 0.005 . 2 . . . . 98 Leu HB2 . 16428 1 1120 . 1 1 98 98 LEU HB3 H 1 1.849 0.004 . 2 . . . . 98 Leu HB3 . 16428 1 1121 . 1 1 98 98 LEU HD11 H 1 0.134 0.003 . 2 . . . . 98 Leu HD11 . 16428 1 1122 . 1 1 98 98 LEU HD12 H 1 0.134 0.003 . 2 . . . . 98 Leu HD12 . 16428 1 1123 . 1 1 98 98 LEU HD13 H 1 0.134 0.003 . 2 . . . . 98 Leu HD13 . 16428 1 1124 . 1 1 98 98 LEU HD21 H 1 0.237 0.002 . 2 . . . . 98 Leu HD21 . 16428 1 1125 . 1 1 98 98 LEU HD22 H 1 0.237 0.002 . 2 . . . . 98 Leu HD22 . 16428 1 1126 . 1 1 98 98 LEU HD23 H 1 0.237 0.002 . 2 . . . . 98 Leu HD23 . 16428 1 1127 . 1 1 98 98 LEU HG H 1 1.501 0.004 . 1 . . . . 98 Leu HG . 16428 1 1128 . 1 1 98 98 LEU C C 13 179.621 0.016 . 1 . . . . 98 Leu C . 16428 1 1129 . 1 1 98 98 LEU CA C 13 58.943 0.059 . 1 . . . . 98 Leu CA . 16428 1 1130 . 1 1 98 98 LEU CB C 13 41.148 0.024 . 1 . . . . 98 Leu CB . 16428 1 1131 . 1 1 98 98 LEU CD1 C 13 24.858 0.048 . 2 . . . . 98 Leu CD1 . 16428 1 1132 . 1 1 98 98 LEU CD2 C 13 26.714 0.020 . 2 . . . . 98 Leu CD2 . 16428 1 1133 . 1 1 98 98 LEU CG C 13 26.396 0.064 . 1 . . . . 98 Leu CG . 16428 1 1134 . 1 1 98 98 LEU N N 15 122.938 0.030 . 1 . . . . 98 Leu N . 16428 1 1135 . 1 1 99 99 PHE H H 1 8.392 0.002 . 1 . . . . 99 Phe H . 16428 1 1136 . 1 1 99 99 PHE HA H 1 3.983 0.005 . 1 . . . . 99 Phe HA . 16428 1 1137 . 1 1 99 99 PHE HB2 H 1 0.743 0.004 . 2 . . . . 99 Phe HB2 . 16428 1 1138 . 1 1 99 99 PHE HB3 H 1 2.020 0.004 . 2 . . . . 99 Phe HB3 . 16428 1 1139 . 1 1 99 99 PHE HD1 H 1 6.580 0.004 . 3 . . . . 99 Phe HD1 . 16428 1 1140 . 1 1 99 99 PHE HD2 H 1 6.580 0.004 . 3 . . . . 99 Phe HD2 . 16428 1 1141 . 1 1 99 99 PHE C C 13 179.642 0.016 . 1 . . . . 99 Phe C . 16428 1 1142 . 1 1 99 99 PHE CA C 13 59.980 0.048 . 1 . . . . 99 Phe CA . 16428 1 1143 . 1 1 99 99 PHE CB C 13 36.159 0.027 . 1 . . . . 99 Phe CB . 16428 1 1144 . 1 1 99 99 PHE CD1 C 13 130.492 0.042 . 3 . . . . 99 Phe CD1 . 16428 1 1145 . 1 1 99 99 PHE CD2 C 13 130.492 0.042 . 3 . . . . 99 Phe CD2 . 16428 1 1146 . 1 1 99 99 PHE N N 15 118.041 0.028 . 1 . . . . 99 Phe N . 16428 1 1147 . 1 1 100 100 ALA H H 1 8.270 0.001 . 1 . . . . 100 Ala H . 16428 1 1148 . 1 1 100 100 ALA HA H 1 4.062 0.005 . 1 . . . . 100 Ala HA . 16428 1 1149 . 1 1 100 100 ALA HB1 H 1 1.630 0.003 . 1 . . . . 100 Ala HB1 . 16428 1 1150 . 1 1 100 100 ALA HB2 H 1 1.630 0.003 . 1 . . . . 100 Ala HB2 . 16428 1 1151 . 1 1 100 100 ALA HB3 H 1 1.630 0.003 . 1 . . . . 100 Ala HB3 . 16428 1 1152 . 1 1 100 100 ALA C C 13 179.155 0.003 . 1 . . . . 100 Ala C . 16428 1 1153 . 1 1 100 100 ALA CA C 13 56.168 0.038 . 1 . . . . 100 Ala CA . 16428 1 1154 . 1 1 100 100 ALA CB C 13 20.109 0.050 . 1 . . . . 100 Ala CB . 16428 1 1155 . 1 1 100 100 ALA N N 15 122.532 0.023 . 1 . . . . 100 Ala N . 16428 1 1156 . 1 1 101 101 LEU H H 1 8.933 0.001 . 1 . . . . 101 Leu H . 16428 1 1157 . 1 1 101 101 LEU HA H 1 4.082 0.006 . 1 . . . . 101 Leu HA . 16428 1 1158 . 1 1 101 101 LEU HB2 H 1 1.405 0.004 . 2 . . . . 101 Leu HB2 . 16428 1 1159 . 1 1 101 101 LEU HB3 H 1 2.261 0.006 . 2 . . . . 101 Leu HB3 . 16428 1 1160 . 1 1 101 101 LEU HD11 H 1 0.655 0.005 . 2 . . . . 101 Leu HD11 . 16428 1 1161 . 1 1 101 101 LEU HD12 H 1 0.655 0.005 . 2 . . . . 101 Leu HD12 . 16428 1 1162 . 1 1 101 101 LEU HD13 H 1 0.655 0.005 . 2 . . . . 101 Leu HD13 . 16428 1 1163 . 1 1 101 101 LEU HD21 H 1 1.090 0.003 . 2 . . . . 101 Leu HD21 . 16428 1 1164 . 1 1 101 101 LEU HD22 H 1 1.090 0.003 . 2 . . . . 101 Leu HD22 . 16428 1 1165 . 1 1 101 101 LEU HD23 H 1 1.090 0.003 . 2 . . . . 101 Leu HD23 . 16428 1 1166 . 1 1 101 101 LEU HG H 1 1.891 0.006 . 1 . . . . 101 Leu HG . 16428 1 1167 . 1 1 101 101 LEU C C 13 179.289 0.008 . 1 . . . . 101 Leu C . 16428 1 1168 . 1 1 101 101 LEU CA C 13 58.370 0.039 . 1 . . . . 101 Leu CA . 16428 1 1169 . 1 1 101 101 LEU CB C 13 44.127 0.031 . 1 . . . . 101 Leu CB . 16428 1 1170 . 1 1 101 101 LEU CD1 C 13 25.806 0.050 . 2 . . . . 101 Leu CD1 . 16428 1 1171 . 1 1 101 101 LEU CD2 C 13 23.890 0.007 . 2 . . . . 101 Leu CD2 . 16428 1 1172 . 1 1 101 101 LEU CG C 13 27.360 0.014 . 1 . . . . 101 Leu CG . 16428 1 1173 . 1 1 101 101 LEU N N 15 117.624 0.008 . 1 . . . . 101 Leu N . 16428 1 1174 . 1 1 102 102 GLY H H 1 8.658 0.002 . 1 . . . . 102 Gly H . 16428 1 1175 . 1 1 102 102 GLY HA2 H 1 3.279 0.004 . 2 . . . . 102 Gly HA2 . 16428 1 1176 . 1 1 102 102 GLY HA3 H 1 3.711 0.006 . 2 . . . . 102 Gly HA3 . 16428 1 1177 . 1 1 102 102 GLY C C 13 176.529 0.011 . 1 . . . . 102 Gly C . 16428 1 1178 . 1 1 102 102 GLY CA C 13 46.678 0.032 . 1 . . . . 102 Gly CA . 16428 1 1179 . 1 1 102 102 GLY N N 15 105.080 0.023 . 1 . . . . 102 Gly N . 16428 1 1180 . 1 1 103 103 GLN H H 1 8.106 0.001 . 1 . . . . 103 Gln H . 16428 1 1181 . 1 1 103 103 GLN HA H 1 4.142 0.011 . 1 . . . . 103 Gln HA . 16428 1 1182 . 1 1 103 103 GLN HB2 H 1 2.194 0.009 . 2 . . . . 103 Gln HB2 . 16428 1 1183 . 1 1 103 103 GLN HB3 H 1 2.484 0.003 . 2 . . . . 103 Gln HB3 . 16428 1 1184 . 1 1 103 103 GLN HE21 H 1 6.466 0.003 . 1 . . . . 103 Gln HE21 . 16428 1 1185 . 1 1 103 103 GLN HE22 H 1 7.844 0.001 . 1 . . . . 103 Gln HE22 . 16428 1 1186 . 1 1 103 103 GLN HG2 H 1 2.237 0.003 . 2 . . . . 103 Gln HG2 . 16428 1 1187 . 1 1 103 103 GLN HG3 H 1 2.646 0.003 . 2 . . . . 103 Gln HG3 . 16428 1 1188 . 1 1 103 103 GLN C C 13 178.325 0.003 . 1 . . . . 103 Gln C . 16428 1 1189 . 1 1 103 103 GLN CA C 13 59.172 0.061 . 1 . . . . 103 Gln CA . 16428 1 1190 . 1 1 103 103 GLN CB C 13 27.496 0.047 . 1 . . . . 103 Gln CB . 16428 1 1191 . 1 1 103 103 GLN CG C 13 33.074 0.049 . 1 . . . . 103 Gln CG . 16428 1 1192 . 1 1 103 103 GLN N N 15 122.652 0.022 . 1 . . . . 103 Gln N . 16428 1 1193 . 1 1 103 103 GLN NE2 N 15 110.296 0.033 . 1 . . . . 103 Gln NE2 . 16428 1 1194 . 1 1 104 104 LEU H H 1 8.737 0.002 . 1 . . . . 104 Leu H . 16428 1 1195 . 1 1 104 104 LEU HA H 1 3.965 0.004 . 1 . . . . 104 Leu HA . 16428 1 1196 . 1 1 104 104 LEU HB2 H 1 1.668 0.009 . 2 . . . . 104 Leu HB2 . 16428 1 1197 . 1 1 104 104 LEU HB3 H 1 1.823 0.007 . 2 . . . . 104 Leu HB3 . 16428 1 1198 . 1 1 104 104 LEU HD11 H 1 0.903 0.002 . 1 . . . . 104 Leu HD11 . 16428 1 1199 . 1 1 104 104 LEU HD12 H 1 0.903 0.002 . 1 . . . . 104 Leu HD12 . 16428 1 1200 . 1 1 104 104 LEU HD13 H 1 0.903 0.002 . 1 . . . . 104 Leu HD13 . 16428 1 1201 . 1 1 104 104 LEU HD21 H 1 0.903 0.002 . 1 . . . . 104 Leu HD21 . 16428 1 1202 . 1 1 104 104 LEU HD22 H 1 0.903 0.002 . 1 . . . . 104 Leu HD22 . 16428 1 1203 . 1 1 104 104 LEU HD23 H 1 0.903 0.002 . 1 . . . . 104 Leu HD23 . 16428 1 1204 . 1 1 104 104 LEU HG H 1 1.644 0.003 . 1 . . . . 104 Leu HG . 16428 1 1205 . 1 1 104 104 LEU C C 13 178.354 0.010 . 1 . . . . 104 Leu C . 16428 1 1206 . 1 1 104 104 LEU CA C 13 57.765 0.034 . 1 . . . . 104 Leu CA . 16428 1 1207 . 1 1 104 104 LEU CB C 13 42.539 0.035 . 1 . . . . 104 Leu CB . 16428 1 1208 . 1 1 104 104 LEU CD1 C 13 24.067 0.060 . 1 . . . . 104 Leu CD1 . 16428 1 1209 . 1 1 104 104 LEU CD2 C 13 24.067 0.060 . 1 . . . . 104 Leu CD2 . 16428 1 1210 . 1 1 104 104 LEU CG C 13 26.206 0.068 . 1 . . . . 104 Leu CG . 16428 1 1211 . 1 1 104 104 LEU N N 15 120.456 0.020 . 1 . . . . 104 Leu N . 16428 1 1212 . 1 1 105 105 ALA H H 1 8.299 0.002 . 1 . . . . 105 Ala H . 16428 1 1213 . 1 1 105 105 ALA HA H 1 3.825 0.005 . 1 . . . . 105 Ala HA . 16428 1 1214 . 1 1 105 105 ALA HB1 H 1 1.317 0.007 . 1 . . . . 105 Ala HB1 . 16428 1 1215 . 1 1 105 105 ALA HB2 H 1 1.317 0.007 . 1 . . . . 105 Ala HB2 . 16428 1 1216 . 1 1 105 105 ALA HB3 H 1 1.317 0.007 . 1 . . . . 105 Ala HB3 . 16428 1 1217 . 1 1 105 105 ALA C C 13 179.207 0.004 . 1 . . . . 105 Ala C . 16428 1 1218 . 1 1 105 105 ALA CA C 13 55.223 0.035 . 1 . . . . 105 Ala CA . 16428 1 1219 . 1 1 105 105 ALA CB C 13 17.840 0.060 . 1 . . . . 105 Ala CB . 16428 1 1220 . 1 1 105 105 ALA N N 15 117.066 0.012 . 1 . . . . 105 Ala N . 16428 1 1221 . 1 1 106 106 ALA H H 1 7.208 0.002 . 1 . . . . 106 Ala H . 16428 1 1222 . 1 1 106 106 ALA HA H 1 4.176 0.007 . 1 . . . . 106 Ala HA . 16428 1 1223 . 1 1 106 106 ALA HB1 H 1 1.520 0.010 . 1 . . . . 106 Ala HB1 . 16428 1 1224 . 1 1 106 106 ALA HB2 H 1 1.520 0.010 . 1 . . . . 106 Ala HB2 . 16428 1 1225 . 1 1 106 106 ALA HB3 H 1 1.520 0.010 . 1 . . . . 106 Ala HB3 . 16428 1 1226 . 1 1 106 106 ALA C C 13 180.118 0.018 . 1 . . . . 106 Ala C . 16428 1 1227 . 1 1 106 106 ALA CA C 13 54.061 0.057 . 1 . . . . 106 Ala CA . 16428 1 1228 . 1 1 106 106 ALA CB C 13 18.465 0.015 . 1 . . . . 106 Ala CB . 16428 1 1229 . 1 1 106 106 ALA N N 15 117.122 0.035 . 1 . . . . 106 Ala N . 16428 1 1230 . 1 1 107 107 GLU H H 1 7.959 0.001 . 1 . . . . 107 Glu H . 16428 1 1231 . 1 1 107 107 GLU HA H 1 4.194 0.005 . 1 . . . . 107 Glu HA . 16428 1 1232 . 1 1 107 107 GLU HB2 H 1 2.040 0.009 . 2 . . . . 107 Glu HB2 . 16428 1 1233 . 1 1 107 107 GLU HB3 H 1 2.259 0.009 . 2 . . . . 107 Glu HB3 . 16428 1 1234 . 1 1 107 107 GLU HG2 H 1 2.176 0.000 . 2 . . . . 107 Glu HG2 . 16428 1 1235 . 1 1 107 107 GLU HG3 H 1 2.336 0.011 . 2 . . . . 107 Glu HG3 . 16428 1 1236 . 1 1 107 107 GLU C C 13 178.426 0.012 . 1 . . . . 107 Glu C . 16428 1 1237 . 1 1 107 107 GLU CA C 13 58.247 0.041 . 1 . . . . 107 Glu CA . 16428 1 1238 . 1 1 107 107 GLU CB C 13 30.344 0.062 . 1 . . . . 107 Glu CB . 16428 1 1239 . 1 1 107 107 GLU CG C 13 36.717 0.018 . 1 . . . . 107 Glu CG . 16428 1 1240 . 1 1 107 107 GLU N N 15 117.790 0.017 . 1 . . . . 107 Glu N . 16428 1 1241 . 1 1 108 108 ILE H H 1 7.452 0.002 . 1 . . . . 108 Ile H . 16428 1 1242 . 1 1 108 108 ILE HA H 1 4.565 0.006 . 1 . . . . 108 Ile HA . 16428 1 1243 . 1 1 108 108 ILE HB H 1 2.104 0.006 . 1 . . . . 108 Ile HB . 16428 1 1244 . 1 1 108 108 ILE HD11 H 1 0.767 0.004 . 1 . . . . 108 Ile HD11 . 16428 1 1245 . 1 1 108 108 ILE HD12 H 1 0.767 0.004 . 1 . . . . 108 Ile HD12 . 16428 1 1246 . 1 1 108 108 ILE HD13 H 1 0.767 0.004 . 1 . . . . 108 Ile HD13 . 16428 1 1247 . 1 1 108 108 ILE HG12 H 1 1.338 0.008 . 2 . . . . 108 Ile HG12 . 16428 1 1248 . 1 1 108 108 ILE HG13 H 1 1.451 0.011 . 2 . . . . 108 Ile HG13 . 16428 1 1249 . 1 1 108 108 ILE HG21 H 1 0.963 0.002 . 1 . . . . 108 Ile HG21 . 16428 1 1250 . 1 1 108 108 ILE HG22 H 1 0.963 0.002 . 1 . . . . 108 Ile HG22 . 16428 1 1251 . 1 1 108 108 ILE HG23 H 1 0.963 0.002 . 1 . . . . 108 Ile HG23 . 16428 1 1252 . 1 1 108 108 ILE C C 13 175.663 0.000 . 1 . . . . 108 Ile C . 16428 1 1253 . 1 1 108 108 ILE CA C 13 60.328 0.055 . 1 . . . . 108 Ile CA . 16428 1 1254 . 1 1 108 108 ILE CB C 13 38.354 0.038 . 1 . . . . 108 Ile CB . 16428 1 1255 . 1 1 108 108 ILE CD1 C 13 15.412 0.044 . 1 . . . . 108 Ile CD1 . 16428 1 1256 . 1 1 108 108 ILE CG1 C 13 24.674 0.010 . 1 . . . . 108 Ile CG1 . 16428 1 1257 . 1 1 108 108 ILE CG2 C 13 18.201 0.025 . 1 . . . . 108 Ile CG2 . 16428 1 1258 . 1 1 108 108 ILE N N 15 113.257 0.014 . 1 . . . . 108 Ile N . 16428 1 1259 . 1 1 111 111 THR HA H 1 4.356 0.000 . 1 . . . . 111 Thr HA . 16428 1 1260 . 1 1 111 111 THR C C 13 175.499 0.020 . 1 . . . . 111 Thr C . 16428 1 1261 . 1 1 111 111 THR CA C 13 62.372 0.000 . 1 . . . . 111 Thr CA . 16428 1 1262 . 1 1 111 111 THR CB C 13 71.049 0.000 . 1 . . . . 111 Thr CB . 16428 1 1263 . 1 1 112 112 ASP H H 1 8.490 0.002 . 1 . . . . 112 Asp H . 16428 1 1264 . 1 1 112 112 ASP HA H 1 4.481 0.006 . 1 . . . . 112 Asp HA . 16428 1 1265 . 1 1 112 112 ASP HB2 H 1 2.732 0.024 . 2 . . . . 112 Asp HB2 . 16428 1 1266 . 1 1 112 112 ASP HB3 H 1 2.735 0.016 . 2 . . . . 112 Asp HB3 . 16428 1 1267 . 1 1 112 112 ASP C C 13 177.639 0.011 . 1 . . . . 112 Asp C . 16428 1 1268 . 1 1 112 112 ASP CA C 13 56.040 0.070 . 1 . . . . 112 Asp CA . 16428 1 1269 . 1 1 112 112 ASP CB C 13 40.434 0.027 . 1 . . . . 112 Asp CB . 16428 1 1270 . 1 1 112 112 ASP N N 15 121.187 0.023 . 1 . . . . 112 Asp N . 16428 1 1271 . 1 1 113 113 ALA H H 1 7.777 0.002 . 1 . . . . 113 Ala H . 16428 1 1272 . 1 1 113 113 ALA HA H 1 4.256 0.014 . 1 . . . . 113 Ala HA . 16428 1 1273 . 1 1 113 113 ALA HB1 H 1 1.409 0.003 . 1 . . . . 113 Ala HB1 . 16428 1 1274 . 1 1 113 113 ALA HB2 H 1 1.409 0.003 . 1 . . . . 113 Ala HB2 . 16428 1 1275 . 1 1 113 113 ALA HB3 H 1 1.409 0.003 . 1 . . . . 113 Ala HB3 . 16428 1 1276 . 1 1 113 113 ALA C C 13 178.670 0.012 . 1 . . . . 113 Ala C . 16428 1 1277 . 1 1 113 113 ALA CA C 13 53.428 0.040 . 1 . . . . 113 Ala CA . 16428 1 1278 . 1 1 113 113 ALA CB C 13 19.112 0.073 . 1 . . . . 113 Ala CB . 16428 1 1279 . 1 1 113 113 ALA N N 15 122.305 0.009 . 1 . . . . 113 Ala N . 16428 1 1280 . 1 1 114 114 ALA H H 1 7.951 0.003 . 1 . . . . 114 Ala H . 16428 1 1281 . 1 1 114 114 ALA HA H 1 3.949 0.005 . 1 . . . . 114 Ala HA . 16428 1 1282 . 1 1 114 114 ALA HB1 H 1 1.528 0.004 . 1 . . . . 114 Ala HB1 . 16428 1 1283 . 1 1 114 114 ALA HB2 H 1 1.528 0.004 . 1 . . . . 114 Ala HB2 . 16428 1 1284 . 1 1 114 114 ALA HB3 H 1 1.528 0.004 . 1 . . . . 114 Ala HB3 . 16428 1 1285 . 1 1 114 114 ALA C C 13 178.807 0.051 . 1 . . . . 114 Ala C . 16428 1 1286 . 1 1 114 114 ALA CA C 13 55.251 0.076 . 1 . . . . 114 Ala CA . 16428 1 1287 . 1 1 114 114 ALA CB C 13 18.733 0.059 . 1 . . . . 114 Ala CB . 16428 1 1288 . 1 1 114 114 ALA N N 15 120.880 0.033 . 1 . . . . 114 Ala N . 16428 1 1289 . 1 1 115 115 ASP H H 1 8.041 0.002 . 1 . . . . 115 Asp H . 16428 1 1290 . 1 1 115 115 ASP HA H 1 4.253 0.008 . 1 . . . . 115 Asp HA . 16428 1 1291 . 1 1 115 115 ASP HB2 H 1 2.699 0.008 . 1 . . . . 115 Asp HB2 . 16428 1 1292 . 1 1 115 115 ASP C C 13 178.045 0.006 . 1 . . . . 115 Asp C . 16428 1 1293 . 1 1 115 115 ASP CA C 13 57.657 0.079 . 1 . . . . 115 Asp CA . 16428 1 1294 . 1 1 115 115 ASP CB C 13 40.184 0.058 . 1 . . . . 115 Asp CB . 16428 1 1295 . 1 1 115 115 ASP N N 15 117.235 0.014 . 1 . . . . 115 Asp N . 16428 1 1296 . 1 1 116 116 ALA H H 1 7.859 0.002 . 1 . . . . 116 Ala H . 16428 1 1297 . 1 1 116 116 ALA HA H 1 4.205 0.014 . 1 . . . . 116 Ala HA . 16428 1 1298 . 1 1 116 116 ALA HB1 H 1 1.448 0.005 . 1 . . . . 116 Ala HB1 . 16428 1 1299 . 1 1 116 116 ALA HB2 H 1 1.448 0.005 . 1 . . . . 116 Ala HB2 . 16428 1 1300 . 1 1 116 116 ALA HB3 H 1 1.448 0.005 . 1 . . . . 116 Ala HB3 . 16428 1 1301 . 1 1 116 116 ALA C C 13 180.466 0.007 . 1 . . . . 116 Ala C . 16428 1 1302 . 1 1 116 116 ALA CA C 13 54.863 0.013 . 1 . . . . 116 Ala CA . 16428 1 1303 . 1 1 116 116 ALA CB C 13 18.120 0.071 . 1 . . . . 116 Ala CB . 16428 1 1304 . 1 1 116 116 ALA N N 15 121.011 0.014 . 1 . . . . 116 Ala N . 16428 1 1305 . 1 1 117 117 LEU H H 1 7.610 0.007 . 1 . . . . 117 Leu H . 16428 1 1306 . 1 1 117 117 LEU HA H 1 4.106 0.004 . 1 . . . . 117 Leu HA . 16428 1 1307 . 1 1 117 117 LEU HB2 H 1 1.468 0.003 . 2 . . . . 117 Leu HB2 . 16428 1 1308 . 1 1 117 117 LEU HB3 H 1 2.077 0.006 . 2 . . . . 117 Leu HB3 . 16428 1 1309 . 1 1 117 117 LEU HD11 H 1 0.952 0.004 . 2 . . . . 117 Leu HD11 . 16428 1 1310 . 1 1 117 117 LEU HD12 H 1 0.952 0.004 . 2 . . . . 117 Leu HD12 . 16428 1 1311 . 1 1 117 117 LEU HD13 H 1 0.952 0.004 . 2 . . . . 117 Leu HD13 . 16428 1 1312 . 1 1 117 117 LEU HD21 H 1 1.055 0.005 . 2 . . . . 117 Leu HD21 . 16428 1 1313 . 1 1 117 117 LEU HD22 H 1 1.055 0.005 . 2 . . . . 117 Leu HD22 . 16428 1 1314 . 1 1 117 117 LEU HD23 H 1 1.055 0.005 . 2 . . . . 117 Leu HD23 . 16428 1 1315 . 1 1 117 117 LEU HG H 1 1.972 0.004 . 1 . . . . 117 Leu HG . 16428 1 1316 . 1 1 117 117 LEU C C 13 179.364 0.002 . 1 . . . . 117 Leu C . 16428 1 1317 . 1 1 117 117 LEU CA C 13 57.871 0.078 . 1 . . . . 117 Leu CA . 16428 1 1318 . 1 1 117 117 LEU CB C 13 41.936 0.050 . 1 . . . . 117 Leu CB . 16428 1 1319 . 1 1 117 117 LEU CD1 C 13 26.757 0.000 . 2 . . . . 117 Leu CD1 . 16428 1 1320 . 1 1 117 117 LEU CD2 C 13 23.157 0.054 . 2 . . . . 117 Leu CD2 . 16428 1 1321 . 1 1 117 117 LEU CG C 13 26.773 0.022 . 1 . . . . 117 Leu CG . 16428 1 1322 . 1 1 117 117 LEU N N 15 117.515 0.027 . 1 . . . . 117 Leu N . 16428 1 1323 . 1 1 118 118 ILE H H 1 8.344 0.003 . 1 . . . . 118 Ile H . 16428 1 1324 . 1 1 118 118 ILE HA H 1 3.572 0.005 . 1 . . . . 118 Ile HA . 16428 1 1325 . 1 1 118 118 ILE HB H 1 1.964 0.004 . 1 . . . . 118 Ile HB . 16428 1 1326 . 1 1 118 118 ILE HD11 H 1 0.679 0.003 . 1 . . . . 118 Ile HD11 . 16428 1 1327 . 1 1 118 118 ILE HD12 H 1 0.679 0.003 . 1 . . . . 118 Ile HD12 . 16428 1 1328 . 1 1 118 118 ILE HD13 H 1 0.679 0.003 . 1 . . . . 118 Ile HD13 . 16428 1 1329 . 1 1 118 118 ILE HG12 H 1 1.040 0.005 . 2 . . . . 118 Ile HG12 . 16428 1 1330 . 1 1 118 118 ILE HG13 H 1 1.528 0.003 . 2 . . . . 118 Ile HG13 . 16428 1 1331 . 1 1 118 118 ILE HG21 H 1 0.838 0.003 . 1 . . . . 118 Ile HG21 . 16428 1 1332 . 1 1 118 118 ILE HG22 H 1 0.838 0.003 . 1 . . . . 118 Ile HG22 . 16428 1 1333 . 1 1 118 118 ILE HG23 H 1 0.838 0.003 . 1 . . . . 118 Ile HG23 . 16428 1 1334 . 1 1 118 118 ILE C C 13 178.728 0.009 . 1 . . . . 118 Ile C . 16428 1 1335 . 1 1 118 118 ILE CA C 13 64.120 0.042 . 1 . . . . 118 Ile CA . 16428 1 1336 . 1 1 118 118 ILE CB C 13 37.154 0.050 . 1 . . . . 118 Ile CB . 16428 1 1337 . 1 1 118 118 ILE CD1 C 13 11.892 0.035 . 1 . . . . 118 Ile CD1 . 16428 1 1338 . 1 1 118 118 ILE CG1 C 13 28.899 0.045 . 1 . . . . 118 Ile CG1 . 16428 1 1339 . 1 1 118 118 ILE CG2 C 13 17.903 0.052 . 1 . . . . 118 Ile CG2 . 16428 1 1340 . 1 1 118 118 ILE N N 15 121.973 0.022 . 1 . . . . 118 Ile N . 16428 1 1341 . 1 1 119 119 ASP H H 1 8.075 0.002 . 1 . . . . 119 Asp H . 16428 1 1342 . 1 1 119 119 ASP HA H 1 4.172 0.008 . 1 . . . . 119 Asp HA . 16428 1 1343 . 1 1 119 119 ASP HB2 H 1 2.184 0.014 . 2 . . . . 119 Asp HB2 . 16428 1 1344 . 1 1 119 119 ASP HB3 H 1 2.756 0.008 . 2 . . . . 119 Asp HB3 . 16428 1 1345 . 1 1 119 119 ASP C C 13 178.042 0.019 . 1 . . . . 119 Asp C . 16428 1 1346 . 1 1 119 119 ASP CA C 13 57.394 0.048 . 1 . . . . 119 Asp CA . 16428 1 1347 . 1 1 119 119 ASP CB C 13 39.432 0.039 . 1 . . . . 119 Asp CB . 16428 1 1348 . 1 1 119 119 ASP N N 15 121.608 0.021 . 1 . . . . 119 Asp N . 16428 1 1349 . 1 1 120 120 ARG H H 1 7.739 0.002 . 1 . . . . 120 Arg H . 16428 1 1350 . 1 1 120 120 ARG HA H 1 4.065 0.006 . 1 . . . . 120 Arg HA . 16428 1 1351 . 1 1 120 120 ARG HB2 H 1 2.081 0.007 . 2 . . . . 120 Arg HB2 . 16428 1 1352 . 1 1 120 120 ARG HB3 H 1 2.451 0.005 . 2 . . . . 120 Arg HB3 . 16428 1 1353 . 1 1 120 120 ARG HD2 H 1 3.306 0.003 . 2 . . . . 120 Arg HD2 . 16428 1 1354 . 1 1 120 120 ARG HD3 H 1 3.546 0.003 . 2 . . . . 120 Arg HD3 . 16428 1 1355 . 1 1 120 120 ARG HE H 1 7.490 0.002 . 1 . . . . 120 Arg HE . 16428 1 1356 . 1 1 120 120 ARG C C 13 179.682 0.006 . 1 . . . . 120 Arg C . 16428 1 1357 . 1 1 120 120 ARG CA C 13 60.513 0.033 . 1 . . . . 120 Arg CA . 16428 1 1358 . 1 1 120 120 ARG CB C 13 28.981 0.080 . 1 . . . . 120 Arg CB . 16428 1 1359 . 1 1 120 120 ARG CD C 13 44.617 0.047 . 1 . . . . 120 Arg CD . 16428 1 1360 . 1 1 120 120 ARG CG C 13 30.105 0.000 . 1 . . . . 120 Arg CG . 16428 1 1361 . 1 1 120 120 ARG N N 15 117.047 0.024 . 1 . . . . 120 Arg N . 16428 1 1362 . 1 1 120 120 ARG NE N 15 85.941 0.022 . 1 . . . . 120 Arg NE . 16428 1 1363 . 1 1 121 121 TYR H H 1 8.734 0.002 . 1 . . . . 121 Tyr H . 16428 1 1364 . 1 1 121 121 TYR HA H 1 3.793 0.005 . 1 . . . . 121 Tyr HA . 16428 1 1365 . 1 1 121 121 TYR HB2 H 1 2.782 0.006 . 2 . . . . 121 Tyr HB2 . 16428 1 1366 . 1 1 121 121 TYR HB3 H 1 3.439 0.006 . 2 . . . . 121 Tyr HB3 . 16428 1 1367 . 1 1 121 121 TYR HD1 H 1 6.639 0.000 . 3 . . . . 121 Tyr HD1 . 16428 1 1368 . 1 1 121 121 TYR HD2 H 1 6.639 0.000 . 3 . . . . 121 Tyr HD2 . 16428 1 1369 . 1 1 121 121 TYR HE1 H 1 6.588 0.000 . 3 . . . . 121 Tyr HE1 . 16428 1 1370 . 1 1 121 121 TYR HE2 H 1 6.588 0.000 . 3 . . . . 121 Tyr HE2 . 16428 1 1371 . 1 1 121 121 TYR C C 13 176.274 0.020 . 1 . . . . 121 Tyr C . 16428 1 1372 . 1 1 121 121 TYR CA C 13 62.004 0.054 . 1 . . . . 121 Tyr CA . 16428 1 1373 . 1 1 121 121 TYR CB C 13 37.796 0.062 . 1 . . . . 121 Tyr CB . 16428 1 1374 . 1 1 121 121 TYR N N 15 125.735 0.018 . 1 . . . . 121 Tyr N . 16428 1 1375 . 1 1 122 122 HIS H H 1 8.263 0.004 . 1 . . . . 122 His H . 16428 1 1376 . 1 1 122 122 HIS HA H 1 4.189 0.007 . 1 . . . . 122 His HA . 16428 1 1377 . 1 1 122 122 HIS HB2 H 1 3.183 0.005 . 2 . . . . 122 His HB2 . 16428 1 1378 . 1 1 122 122 HIS HB3 H 1 3.279 0.013 . 2 . . . . 122 His HB3 . 16428 1 1379 . 1 1 122 122 HIS HD2 H 1 7.158 0.004 . 1 . . . . 122 His HD2 . 16428 1 1380 . 1 1 122 122 HIS C C 13 179.548 0.014 . 1 . . . . 122 His C . 16428 1 1381 . 1 1 122 122 HIS CA C 13 59.749 0.048 . 1 . . . . 122 His CA . 16428 1 1382 . 1 1 122 122 HIS CB C 13 28.608 0.061 . 1 . . . . 122 His CB . 16428 1 1383 . 1 1 122 122 HIS CD2 C 13 119.619 0.076 . 1 . . . . 122 His CD2 . 16428 1 1384 . 1 1 122 122 HIS N N 15 118.606 0.016 . 1 . . . . 122 His N . 16428 1 1385 . 1 1 123 123 PHE H H 1 8.895 0.003 . 1 . . . . 123 Phe H . 16428 1 1386 . 1 1 123 123 PHE HA H 1 4.768 0.010 . 1 . . . . 123 Phe HA . 16428 1 1387 . 1 1 123 123 PHE HB2 H 1 2.861 0.008 . 2 . . . . 123 Phe HB2 . 16428 1 1388 . 1 1 123 123 PHE HB3 H 1 3.914 0.009 . 2 . . . . 123 Phe HB3 . 16428 1 1389 . 1 1 123 123 PHE HD1 H 1 6.901 0.004 . 3 . . . . 123 Phe HD1 . 16428 1 1390 . 1 1 123 123 PHE HD2 H 1 6.901 0.004 . 3 . . . . 123 Phe HD2 . 16428 1 1391 . 1 1 123 123 PHE C C 13 179.928 0.021 . 1 . . . . 123 Phe C . 16428 1 1392 . 1 1 123 123 PHE CA C 13 58.099 0.047 . 1 . . . . 123 Phe CA . 16428 1 1393 . 1 1 123 123 PHE CB C 13 38.010 0.059 . 1 . . . . 123 Phe CB . 16428 1 1394 . 1 1 123 123 PHE CD1 C 13 130.620 0.021 . 3 . . . . 123 Phe CD1 . 16428 1 1395 . 1 1 123 123 PHE CD2 C 13 130.620 0.021 . 3 . . . . 123 Phe CD2 . 16428 1 1396 . 1 1 123 123 PHE N N 15 121.861 0.031 . 1 . . . . 123 Phe N . 16428 1 1397 . 1 1 124 124 LEU H H 1 8.039 0.002 . 1 . . . . 124 Leu H . 16428 1 1398 . 1 1 124 124 LEU HA H 1 4.114 0.004 . 1 . . . . 124 Leu HA . 16428 1 1399 . 1 1 124 124 LEU HB2 H 1 1.480 0.004 . 2 . . . . 124 Leu HB2 . 16428 1 1400 . 1 1 124 124 LEU HB3 H 1 1.798 0.012 . 2 . . . . 124 Leu HB3 . 16428 1 1401 . 1 1 124 124 LEU HD11 H 1 0.801 0.004 . 2 . . . . 124 Leu HD11 . 16428 1 1402 . 1 1 124 124 LEU HD12 H 1 0.801 0.004 . 2 . . . . 124 Leu HD12 . 16428 1 1403 . 1 1 124 124 LEU HD13 H 1 0.801 0.004 . 2 . . . . 124 Leu HD13 . 16428 1 1404 . 1 1 124 124 LEU HD21 H 1 0.894 0.003 . 2 . . . . 124 Leu HD21 . 16428 1 1405 . 1 1 124 124 LEU HD22 H 1 0.894 0.003 . 2 . . . . 124 Leu HD22 . 16428 1 1406 . 1 1 124 124 LEU HD23 H 1 0.894 0.003 . 2 . . . . 124 Leu HD23 . 16428 1 1407 . 1 1 124 124 LEU HG H 1 1.165 0.006 . 1 . . . . 124 Leu HG . 16428 1 1408 . 1 1 124 124 LEU C C 13 177.511 0.010 . 1 . . . . 124 Leu C . 16428 1 1409 . 1 1 124 124 LEU CA C 13 57.570 0.046 . 1 . . . . 124 Leu CA . 16428 1 1410 . 1 1 124 124 LEU CB C 13 40.400 0.045 . 1 . . . . 124 Leu CB . 16428 1 1411 . 1 1 124 124 LEU CD1 C 13 23.493 0.068 . 2 . . . . 124 Leu CD1 . 16428 1 1412 . 1 1 124 124 LEU CD2 C 13 25.990 0.017 . 2 . . . . 124 Leu CD2 . 16428 1 1413 . 1 1 124 124 LEU CG C 13 26.263 0.017 . 1 . . . . 124 Leu CG . 16428 1 1414 . 1 1 124 124 LEU N N 15 121.797 0.015 . 1 . . . . 124 Leu N . 16428 1 1415 . 1 1 125 125 ARG H H 1 8.583 0.005 . 1 . . . . 125 Arg H . 16428 1 1416 . 1 1 125 125 ARG HA H 1 3.456 0.004 . 1 . . . . 125 Arg HA . 16428 1 1417 . 1 1 125 125 ARG HB2 H 1 1.334 0.007 . 2 . . . . 125 Arg HB2 . 16428 1 1418 . 1 1 125 125 ARG HB3 H 1 1.758 0.008 . 2 . . . . 125 Arg HB3 . 16428 1 1419 . 1 1 125 125 ARG HD2 H 1 2.810 0.003 . 2 . . . . 125 Arg HD2 . 16428 1 1420 . 1 1 125 125 ARG HD3 H 1 2.943 0.004 . 2 . . . . 125 Arg HD3 . 16428 1 1421 . 1 1 125 125 ARG HE H 1 7.145 0.003 . 1 . . . . 125 Arg HE . 16428 1 1422 . 1 1 125 125 ARG C C 13 180.150 0.013 . 1 . . . . 125 Arg C . 16428 1 1423 . 1 1 125 125 ARG CA C 13 60.386 0.042 . 1 . . . . 125 Arg CA . 16428 1 1424 . 1 1 125 125 ARG CB C 13 29.730 0.053 . 1 . . . . 125 Arg CB . 16428 1 1425 . 1 1 125 125 ARG CD C 13 43.298 0.035 . 1 . . . . 125 Arg CD . 16428 1 1426 . 1 1 125 125 ARG N N 15 120.843 0.019 . 1 . . . . 125 Arg N . 16428 1 1427 . 1 1 125 125 ARG NE N 15 83.078 0.011 . 1 . . . . 125 Arg NE . 16428 1 1428 . 1 1 126 126 GLY H H 1 8.428 0.002 . 1 . . . . 126 Gly H . 16428 1 1429 . 1 1 126 126 GLY HA2 H 1 3.868 0.014 . 2 . . . . 126 Gly HA2 . 16428 1 1430 . 1 1 126 126 GLY HA3 H 1 4.014 0.008 . 2 . . . . 126 Gly HA3 . 16428 1 1431 . 1 1 126 126 GLY C C 13 176.342 0.012 . 1 . . . . 126 Gly C . 16428 1 1432 . 1 1 126 126 GLY CA C 13 47.210 0.067 . 1 . . . . 126 Gly CA . 16428 1 1433 . 1 1 126 126 GLY N N 15 108.474 0.020 . 1 . . . . 126 Gly N . 16428 1 1434 . 1 1 127 127 PHE H H 1 8.075 0.002 . 1 . . . . 127 Phe H . 16428 1 1435 . 1 1 127 127 PHE HA H 1 4.213 0.008 . 1 . . . . 127 Phe HA . 16428 1 1436 . 1 1 127 127 PHE HB2 H 1 3.086 0.006 . 2 . . . . 127 Phe HB2 . 16428 1 1437 . 1 1 127 127 PHE HB3 H 1 3.253 0.009 . 2 . . . . 127 Phe HB3 . 16428 1 1438 . 1 1 127 127 PHE C C 13 178.229 0.007 . 1 . . . . 127 Phe C . 16428 1 1439 . 1 1 127 127 PHE CA C 13 60.818 0.038 . 1 . . . . 127 Phe CA . 16428 1 1440 . 1 1 127 127 PHE CB C 13 40.058 0.048 . 1 . . . . 127 Phe CB . 16428 1 1441 . 1 1 127 127 PHE N N 15 124.613 0.024 . 1 . . . . 127 Phe N . 16428 1 1442 . 1 1 128 128 ALA H H 1 8.515 0.002 . 1 . . . . 128 Ala H . 16428 1 1443 . 1 1 128 128 ALA HA H 1 3.534 0.004 . 1 . . . . 128 Ala HA . 16428 1 1444 . 1 1 128 128 ALA HB1 H 1 1.305 0.010 . 1 . . . . 128 Ala HB1 . 16428 1 1445 . 1 1 128 128 ALA HB2 H 1 1.305 0.010 . 1 . . . . 128 Ala HB2 . 16428 1 1446 . 1 1 128 128 ALA HB3 H 1 1.305 0.010 . 1 . . . . 128 Ala HB3 . 16428 1 1447 . 1 1 128 128 ALA C C 13 177.075 0.001 . 1 . . . . 128 Ala C . 16428 1 1448 . 1 1 128 128 ALA CA C 13 54.241 0.030 . 1 . . . . 128 Ala CA . 16428 1 1449 . 1 1 128 128 ALA CB C 13 18.018 0.056 . 1 . . . . 128 Ala CB . 16428 1 1450 . 1 1 128 128 ALA N N 15 120.706 0.017 . 1 . . . . 128 Ala N . 16428 1 1451 . 1 1 129 129 ALA H H 1 7.213 0.003 . 1 . . . . 129 Ala H . 16428 1 1452 . 1 1 129 129 ALA HA H 1 3.868 0.007 . 1 . . . . 129 Ala HA . 16428 1 1453 . 1 1 129 129 ALA HB1 H 1 1.424 0.007 . 1 . . . . 129 Ala HB1 . 16428 1 1454 . 1 1 129 129 ALA HB2 H 1 1.424 0.007 . 1 . . . . 129 Ala HB2 . 16428 1 1455 . 1 1 129 129 ALA HB3 H 1 1.424 0.007 . 1 . . . . 129 Ala HB3 . 16428 1 1456 . 1 1 129 129 ALA C C 13 178.355 0.005 . 1 . . . . 129 Ala C . 16428 1 1457 . 1 1 129 129 ALA CA C 13 54.637 0.073 . 1 . . . . 129 Ala CA . 16428 1 1458 . 1 1 129 129 ALA CB C 13 17.882 0.063 . 1 . . . . 129 Ala CB . 16428 1 1459 . 1 1 129 129 ALA N N 15 116.641 0.017 . 1 . . . . 129 Ala N . 16428 1 1460 . 1 1 130 130 GLY H H 1 7.261 0.002 . 1 . . . . 130 Gly H . 16428 1 1461 . 1 1 130 130 GLY HA2 H 1 3.549 0.007 . 2 . . . . 130 Gly HA2 . 16428 1 1462 . 1 1 130 130 GLY HA3 H 1 4.196 0.007 . 2 . . . . 130 Gly HA3 . 16428 1 1463 . 1 1 130 130 GLY C C 13 173.353 0.002 . 1 . . . . 130 Gly C . 16428 1 1464 . 1 1 130 130 GLY CA C 13 44.365 0.051 . 1 . . . . 130 Gly CA . 16428 1 1465 . 1 1 130 130 GLY N N 15 103.315 0.017 . 1 . . . . 130 Gly N . 16428 1 1466 . 1 1 131 131 HIS H H 1 7.125 0.001 . 1 . . . . 131 His H . 16428 1 1467 . 1 1 131 131 HIS HA H 1 4.223 0.002 . 1 . . . . 131 His HA . 16428 1 1468 . 1 1 131 131 HIS HB2 H 1 2.487 0.003 . 2 . . . . 131 His HB2 . 16428 1 1469 . 1 1 131 131 HIS HB3 H 1 2.762 0.006 . 2 . . . . 131 His HB3 . 16428 1 1470 . 1 1 131 131 HIS HD2 H 1 6.582 0.000 . 1 . . . . 131 His HD2 . 16428 1 1471 . 1 1 131 131 HIS C C 13 175.379 0.000 . 1 . . . . 131 His C . 16428 1 1472 . 1 1 131 131 HIS CA C 13 55.900 0.062 . 1 . . . . 131 His CA . 16428 1 1473 . 1 1 131 131 HIS CB C 13 32.941 0.028 . 1 . . . . 131 His CB . 16428 1 1474 . 1 1 131 131 HIS N N 15 124.653 0.017 . 1 . . . . 131 His N . 16428 1 1475 . 1 1 132 132 PRO HA H 1 4.334 0.006 . 1 . . . . 132 Pro HA . 16428 1 1476 . 1 1 132 132 PRO HB2 H 1 1.903 0.005 . 2 . . . . 132 Pro HB2 . 16428 1 1477 . 1 1 132 132 PRO HB3 H 1 2.340 0.005 . 2 . . . . 132 Pro HB3 . 16428 1 1478 . 1 1 132 132 PRO HD2 H 1 3.365 0.003 . 2 . . . . 132 Pro HD2 . 16428 1 1479 . 1 1 132 132 PRO HD3 H 1 3.365 0.003 . 2 . . . . 132 Pro HD3 . 16428 1 1480 . 1 1 132 132 PRO HG2 H 1 1.812 0.009 . 2 . . . . 132 Pro HG2 . 16428 1 1481 . 1 1 132 132 PRO HG3 H 1 1.838 0.013 . 2 . . . . 132 Pro HG3 . 16428 1 1482 . 1 1 132 132 PRO C C 13 179.186 0.011 . 1 . . . . 132 Pro C . 16428 1 1483 . 1 1 132 132 PRO CA C 13 65.691 0.068 . 1 . . . . 132 Pro CA . 16428 1 1484 . 1 1 132 132 PRO CB C 13 32.068 0.056 . 1 . . . . 132 Pro CB . 16428 1 1485 . 1 1 132 132 PRO CD C 13 50.260 0.025 . 1 . . . . 132 Pro CD . 16428 1 1486 . 1 1 132 132 PRO CG C 13 27.793 0.004 . 1 . . . . 132 Pro CG . 16428 1 1487 . 1 1 133 133 GLU H H 1 11.796 0.003 . 1 . . . . 133 Glu H . 16428 1 1488 . 1 1 133 133 GLU HA H 1 4.659 0.011 . 1 . . . . 133 Glu HA . 16428 1 1489 . 1 1 133 133 GLU HB2 H 1 1.981 0.009 . 2 . . . . 133 Glu HB2 . 16428 1 1490 . 1 1 133 133 GLU HB3 H 1 2.621 0.005 . 2 . . . . 133 Glu HB3 . 16428 1 1491 . 1 1 133 133 GLU HG2 H 1 2.202 0.005 . 2 . . . . 133 Glu HG2 . 16428 1 1492 . 1 1 133 133 GLU HG3 H 1 2.282 0.006 . 2 . . . . 133 Glu HG3 . 16428 1 1493 . 1 1 133 133 GLU C C 13 175.273 0.011 . 1 . . . . 133 Glu C . 16428 1 1494 . 1 1 133 133 GLU CA C 13 55.361 0.044 . 1 . . . . 133 Glu CA . 16428 1 1495 . 1 1 133 133 GLU CB C 13 29.279 0.056 . 1 . . . . 133 Glu CB . 16428 1 1496 . 1 1 133 133 GLU CG C 13 38.129 0.047 . 1 . . . . 133 Glu CG . 16428 1 1497 . 1 1 133 133 GLU N N 15 122.129 0.018 . 1 . . . . 133 Glu N . 16428 1 1498 . 1 1 134 134 ALA H H 1 7.979 0.001 . 1 . . . . 134 Ala H . 16428 1 1499 . 1 1 134 134 ALA HA H 1 3.767 0.006 . 1 . . . . 134 Ala HA . 16428 1 1500 . 1 1 134 134 ALA HB1 H 1 1.483 0.004 . 1 . . . . 134 Ala HB1 . 16428 1 1501 . 1 1 134 134 ALA HB2 H 1 1.483 0.004 . 1 . . . . 134 Ala HB2 . 16428 1 1502 . 1 1 134 134 ALA HB3 H 1 1.483 0.004 . 1 . . . . 134 Ala HB3 . 16428 1 1503 . 1 1 134 134 ALA C C 13 178.701 0.017 . 1 . . . . 134 Ala C . 16428 1 1504 . 1 1 134 134 ALA CA C 13 56.491 0.035 . 1 . . . . 134 Ala CA . 16428 1 1505 . 1 1 134 134 ALA CB C 13 20.803 0.049 . 1 . . . . 134 Ala CB . 16428 1 1506 . 1 1 134 134 ALA N N 15 122.867 0.015 . 1 . . . . 134 Ala N . 16428 1 1507 . 1 1 135 135 ALA H H 1 8.454 0.003 . 1 . . . . 135 Ala H . 16428 1 1508 . 1 1 135 135 ALA HA H 1 4.003 0.004 . 1 . . . . 135 Ala HA . 16428 1 1509 . 1 1 135 135 ALA HB1 H 1 1.385 0.005 . 1 . . . . 135 Ala HB1 . 16428 1 1510 . 1 1 135 135 ALA HB2 H 1 1.385 0.005 . 1 . . . . 135 Ala HB2 . 16428 1 1511 . 1 1 135 135 ALA HB3 H 1 1.385 0.005 . 1 . . . . 135 Ala HB3 . 16428 1 1512 . 1 1 135 135 ALA C C 13 180.380 0.005 . 1 . . . . 135 Ala C . 16428 1 1513 . 1 1 135 135 ALA CA C 13 55.357 0.056 . 1 . . . . 135 Ala CA . 16428 1 1514 . 1 1 135 135 ALA CB C 13 17.542 0.072 . 1 . . . . 135 Ala CB . 16428 1 1515 . 1 1 135 135 ALA N N 15 116.710 0.011 . 1 . . . . 135 Ala N . 16428 1 1516 . 1 1 136 136 ALA H H 1 7.615 0.002 . 1 . . . . 136 Ala H . 16428 1 1517 . 1 1 136 136 ALA HA H 1 4.108 0.005 . 1 . . . . 136 Ala HA . 16428 1 1518 . 1 1 136 136 ALA HB1 H 1 1.546 0.006 . 1 . . . . 136 Ala HB1 . 16428 1 1519 . 1 1 136 136 ALA HB2 H 1 1.546 0.006 . 1 . . . . 136 Ala HB2 . 16428 1 1520 . 1 1 136 136 ALA HB3 H 1 1.546 0.006 . 1 . . . . 136 Ala HB3 . 16428 1 1521 . 1 1 136 136 ALA C C 13 178.730 0.013 . 1 . . . . 136 Ala C . 16428 1 1522 . 1 1 136 136 ALA CA C 13 55.028 0.043 . 1 . . . . 136 Ala CA . 16428 1 1523 . 1 1 136 136 ALA CB C 13 19.242 0.046 . 1 . . . . 136 Ala CB . 16428 1 1524 . 1 1 136 136 ALA N N 15 121.324 0.013 . 1 . . . . 136 Ala N . 16428 1 1525 . 1 1 137 137 ILE H H 1 8.210 0.001 . 1 . . . . 137 Ile H . 16428 1 1526 . 1 1 137 137 ILE HA H 1 2.944 0.006 . 1 . . . . 137 Ile HA . 16428 1 1527 . 1 1 137 137 ILE HB H 1 1.572 0.005 . 1 . . . . 137 Ile HB . 16428 1 1528 . 1 1 137 137 ILE HD11 H 1 0.123 0.005 . 1 . . . . 137 Ile HD11 . 16428 1 1529 . 1 1 137 137 ILE HD12 H 1 0.123 0.005 . 1 . . . . 137 Ile HD12 . 16428 1 1530 . 1 1 137 137 ILE HD13 H 1 0.123 0.005 . 1 . . . . 137 Ile HD13 . 16428 1 1531 . 1 1 137 137 ILE HG12 H 1 0.408 0.005 . 2 . . . . 137 Ile HG12 . 16428 1 1532 . 1 1 137 137 ILE HG13 H 1 1.464 0.002 . 2 . . . . 137 Ile HG13 . 16428 1 1533 . 1 1 137 137 ILE HG21 H 1 0.347 0.008 . 1 . . . . 137 Ile HG21 . 16428 1 1534 . 1 1 137 137 ILE HG22 H 1 0.347 0.008 . 1 . . . . 137 Ile HG22 . 16428 1 1535 . 1 1 137 137 ILE HG23 H 1 0.347 0.008 . 1 . . . . 137 Ile HG23 . 16428 1 1536 . 1 1 137 137 ILE C C 13 177.493 0.013 . 1 . . . . 137 Ile C . 16428 1 1537 . 1 1 137 137 ILE CA C 13 65.888 0.025 . 1 . . . . 137 Ile CA . 16428 1 1538 . 1 1 137 137 ILE CB C 13 38.113 0.045 . 1 . . . . 137 Ile CB . 16428 1 1539 . 1 1 137 137 ILE CD1 C 13 13.276 0.037 . 1 . . . . 137 Ile CD1 . 16428 1 1540 . 1 1 137 137 ILE CG1 C 13 28.623 0.035 . 1 . . . . 137 Ile CG1 . 16428 1 1541 . 1 1 137 137 ILE CG2 C 13 16.054 0.054 . 1 . . . . 137 Ile CG2 . 16428 1 1542 . 1 1 137 137 ILE N N 15 117.300 0.020 . 1 . . . . 137 Ile N . 16428 1 1543 . 1 1 138 138 TYR H H 1 8.607 0.001 . 1 . . . . 138 Tyr H . 16428 1 1544 . 1 1 138 138 TYR HA H 1 3.872 0.006 . 1 . . . . 138 Tyr HA . 16428 1 1545 . 1 1 138 138 TYR HB2 H 1 2.790 0.006 . 2 . . . . 138 Tyr HB2 . 16428 1 1546 . 1 1 138 138 TYR HB3 H 1 2.997 0.009 . 2 . . . . 138 Tyr HB3 . 16428 1 1547 . 1 1 138 138 TYR HD1 H 1 7.082 0.000 . 3 . . . . 138 Tyr HD1 . 16428 1 1548 . 1 1 138 138 TYR HD2 H 1 7.082 0.000 . 3 . . . . 138 Tyr HD2 . 16428 1 1549 . 1 1 138 138 TYR C C 13 178.438 0.025 . 1 . . . . 138 Tyr C . 16428 1 1550 . 1 1 138 138 TYR CA C 13 61.467 0.052 . 1 . . . . 138 Tyr CA . 16428 1 1551 . 1 1 138 138 TYR CB C 13 36.695 0.051 . 1 . . . . 138 Tyr CB . 16428 1 1552 . 1 1 138 138 TYR CD1 C 13 131.994 0.000 . 3 . . . . 138 Tyr CD1 . 16428 1 1553 . 1 1 138 138 TYR CD2 C 13 131.994 0.000 . 3 . . . . 138 Tyr CD2 . 16428 1 1554 . 1 1 138 138 TYR N N 15 115.303 0.010 . 1 . . . . 138 Tyr N . 16428 1 1555 . 1 1 139 139 ARG H H 1 7.412 0.002 . 1 . . . . 139 Arg H . 16428 1 1556 . 1 1 139 139 ARG HA H 1 4.072 0.005 . 1 . . . . 139 Arg HA . 16428 1 1557 . 1 1 139 139 ARG HB2 H 1 1.754 0.009 . 1 . . . . 139 Arg HB2 . 16428 1 1558 . 1 1 139 139 ARG HB3 H 1 1.754 0.009 . 1 . . . . 139 Arg HB3 . 16428 1 1559 . 1 1 139 139 ARG HD2 H 1 3.288 0.003 . 2 . . . . 139 Arg HD2 . 16428 1 1560 . 1 1 139 139 ARG HD3 H 1 3.342 0.003 . 2 . . . . 139 Arg HD3 . 16428 1 1561 . 1 1 139 139 ARG HE H 1 7.357 0.002 . 1 . . . . 139 Arg HE . 16428 1 1562 . 1 1 139 139 ARG HG2 H 1 1.726 0.003 . 2 . . . . 139 Arg HG2 . 16428 1 1563 . 1 1 139 139 ARG HG3 H 1 1.882 0.014 . 2 . . . . 139 Arg HG3 . 16428 1 1564 . 1 1 139 139 ARG C C 13 178.191 0.006 . 1 . . . . 139 Arg C . 16428 1 1565 . 1 1 139 139 ARG CA C 13 58.361 0.065 . 1 . . . . 139 Arg CA . 16428 1 1566 . 1 1 139 139 ARG CB C 13 30.032 0.052 . 1 . . . . 139 Arg CB . 16428 1 1567 . 1 1 139 139 ARG CD C 13 43.389 0.040 . 1 . . . . 139 Arg CD . 16428 1 1568 . 1 1 139 139 ARG CG C 13 28.110 0.033 . 1 . . . . 139 Arg CG . 16428 1 1569 . 1 1 139 139 ARG N N 15 118.573 0.011 . 1 . . . . 139 Arg N . 16428 1 1570 . 1 1 139 139 ARG NE N 15 84.613 0.031 . 1 . . . . 139 Arg NE . 16428 1 1571 . 1 1 140 140 ALA H H 1 7.516 0.002 . 1 . . . . 140 Ala H . 16428 1 1572 . 1 1 140 140 ALA HA H 1 3.553 0.007 . 1 . . . . 140 Ala HA . 16428 1 1573 . 1 1 140 140 ALA HB1 H 1 0.812 0.006 . 1 . . . . 140 Ala HB1 . 16428 1 1574 . 1 1 140 140 ALA HB2 H 1 0.812 0.006 . 1 . . . . 140 Ala HB2 . 16428 1 1575 . 1 1 140 140 ALA HB3 H 1 0.812 0.006 . 1 . . . . 140 Ala HB3 . 16428 1 1576 . 1 1 140 140 ALA C C 13 178.683 0.016 . 1 . . . . 140 Ala C . 16428 1 1577 . 1 1 140 140 ALA CA C 13 55.258 0.023 . 1 . . . . 140 Ala CA . 16428 1 1578 . 1 1 140 140 ALA CB C 13 17.560 0.039 . 1 . . . . 140 Ala CB . 16428 1 1579 . 1 1 140 140 ALA N N 15 121.348 0.016 . 1 . . . . 140 Ala N . 16428 1 1580 . 1 1 141 141 ILE H H 1 7.155 0.001 . 1 . . . . 141 Ile H . 16428 1 1581 . 1 1 141 141 ILE HA H 1 4.251 0.007 . 1 . . . . 141 Ile HA . 16428 1 1582 . 1 1 141 141 ILE HB H 1 1.820 0.007 . 1 . . . . 141 Ile HB . 16428 1 1583 . 1 1 141 141 ILE HD11 H 1 0.084 0.004 . 1 . . . . 141 Ile HD11 . 16428 1 1584 . 1 1 141 141 ILE HD12 H 1 0.084 0.004 . 1 . . . . 141 Ile HD12 . 16428 1 1585 . 1 1 141 141 ILE HD13 H 1 0.084 0.004 . 1 . . . . 141 Ile HD13 . 16428 1 1586 . 1 1 141 141 ILE HG12 H 1 0.957 0.012 . 2 . . . . 141 Ile HG12 . 16428 1 1587 . 1 1 141 141 ILE HG13 H 1 1.181 0.005 . 2 . . . . 141 Ile HG13 . 16428 1 1588 . 1 1 141 141 ILE HG21 H 1 0.431 0.003 . 1 . . . . 141 Ile HG21 . 16428 1 1589 . 1 1 141 141 ILE HG22 H 1 0.431 0.003 . 1 . . . . 141 Ile HG22 . 16428 1 1590 . 1 1 141 141 ILE HG23 H 1 0.431 0.003 . 1 . . . . 141 Ile HG23 . 16428 1 1591 . 1 1 141 141 ILE C C 13 175.492 0.007 . 1 . . . . 141 Ile C . 16428 1 1592 . 1 1 141 141 ILE CA C 13 61.381 0.057 . 1 . . . . 141 Ile CA . 16428 1 1593 . 1 1 141 141 ILE CB C 13 37.935 0.045 . 1 . . . . 141 Ile CB . 16428 1 1594 . 1 1 141 141 ILE CD1 C 13 13.547 0.045 . 1 . . . . 141 Ile CD1 . 16428 1 1595 . 1 1 141 141 ILE CG1 C 13 24.830 0.045 . 1 . . . . 141 Ile CG1 . 16428 1 1596 . 1 1 141 141 ILE CG2 C 13 16.971 0.048 . 1 . . . . 141 Ile CG2 . 16428 1 1597 . 1 1 141 141 ILE N N 15 105.656 0.011 . 1 . . . . 141 Ile N . 16428 1 1598 . 1 1 142 142 ASP H H 1 7.032 0.002 . 1 . . . . 142 Asp H . 16428 1 1599 . 1 1 142 142 ASP HA H 1 4.347 0.006 . 1 . . . . 142 Asp HA . 16428 1 1600 . 1 1 142 142 ASP HB2 H 1 2.577 0.008 . 2 . . . . 142 Asp HB2 . 16428 1 1601 . 1 1 142 142 ASP HB3 H 1 2.678 0.008 . 2 . . . . 142 Asp HB3 . 16428 1 1602 . 1 1 142 142 ASP C C 13 181.211 0.000 . 1 . . . . 142 Asp C . 16428 1 1603 . 1 1 142 142 ASP CA C 13 57.026 0.080 . 1 . . . . 142 Asp CA . 16428 1 1604 . 1 1 142 142 ASP CB C 13 42.558 0.051 . 1 . . . . 142 Asp CB . 16428 1 1605 . 1 1 142 142 ASP N N 15 128.323 0.030 . 1 . . . . 142 Asp N . 16428 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16428 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 800.014 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 20 'IPAP for RDC measurement' . . . 16428 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 4 $CCPNMR_Analysis . . 16428 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 3 3 THR H H 1 . . 1 1 3 3 THR N N 15 . 0.497 . . 0.335 . . . . . . . . . . . 16428 1 2 DHN . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU N N 15 . -0.263 . . 0.335 . . . . . . . . . . . 16428 1 3 DHN . 1 1 8 8 VAL H H 1 . . 1 1 8 8 VAL N N 15 . 1.308 . . 0.335 . . . . . . . . . . . 16428 1 4 DHN . 1 1 9 9 THR H H 1 . . 1 1 9 9 THR N N 15 . 1.721 . . 0.335 . . . . . . . . . . . 16428 1 5 DHN . 1 1 10 10 ALA H H 1 . . 1 1 10 10 ALA N N 15 . -1.726 . . 0.335 . . . . . . . . . . . 16428 1 6 DHN . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU N N 15 . -2.199 . . 0.335 . . . . . . . . . . . 16428 1 7 DHN . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL N N 15 . 4.950 . . 0.335 . . . . . . . . . . . 16428 1 8 DHN . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA N N 15 . 2.471 . . 0.335 . . . . . . . . . . . 16428 1 9 DHN . 1 1 16 16 ALA H H 1 . . 1 1 16 16 ALA N N 15 . -1.615 . . 0.335 . . . . . . . . . . . 16428 1 10 DHN . 1 1 17 17 GLN H H 1 . . 1 1 17 17 GLN N N 15 . -2.045 . . 0.335 . . . . . . . . . . . 16428 1 11 DHN . 1 1 18 18 ARG H H 1 . . 1 1 18 18 ARG N N 15 . 3.383 . . 0.335 . . . . . . . . . . . 16428 1 12 DHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . 4.549 . . 0.335 . . . . . . . . . . . 16428 1 13 DHN . 1 1 20 20 ASP H H 1 . . 1 1 20 20 ASP N N 15 . 0.221 . . 0.335 . . . . . . . . . . . 16428 1 14 DHN . 1 1 21 21 PHE H H 1 . . 1 1 21 21 PHE N N 15 . 2.064 . . 0.335 . . . . . . . . . . . 16428 1 15 DHN . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU N N 15 . -0.400 . . 0.335 . . . . . . . . . . . 16428 1 16 DHN . 1 1 24 24 THR H H 1 . . 1 1 24 24 THR N N 15 . 2.992 . . 0.335 . . . . . . . . . . . 16428 1 17 DHN . 1 1 25 25 TYR H H 1 . . 1 1 25 25 TYR N N 15 . 1.521 . . 0.335 . . . . . . . . . . . 16428 1 18 DHN . 1 1 26 26 PHE H H 1 . . 1 1 26 26 PHE N N 15 . 0.189 . . 0.335 . . . . . . . . . . . 16428 1 19 DHN . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . 3.115 . . 0.335 . . . . . . . . . . . 16428 1 20 DHN . 1 1 29 29 ARG H H 1 . . 1 1 29 29 ARG N N 15 . -2.143 . . 0.335 . . . . . . . . . . . 16428 1 21 DHN . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU N N 15 . 0.713 . . 0.335 . . . . . . . . . . . 16428 1 22 DHN . 1 1 31 31 MET H H 1 . . 1 1 31 31 MET N N 15 . 3.636 . . 0.335 . . . . . . . . . . . 16428 1 23 DHN . 1 1 32 32 MET H H 1 . . 1 1 32 32 MET N N 15 . 0.724 . . 0.335 . . . . . . . . . . . 16428 1 24 DHN . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG N N 15 . 2.987 . . 0.335 . . . . . . . . . . . 16428 1 25 DHN . 1 1 34 34 GLY H H 1 . . 1 1 34 34 GLY N N 15 . 2.482 . . 0.335 . . . . . . . . . . . 16428 1 26 DHN . 1 1 35 35 GLU H H 1 . . 1 1 35 35 GLU N N 15 . -0.986 . . 0.335 . . . . . . . . . . . 16428 1 27 DHN . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA N N 15 . 0.226 . . 0.335 . . . . . . . . . . . 16428 1 28 DHN . 1 1 37 37 LEU H H 1 . . 1 1 37 37 LEU N N 15 . 3.520 . . 0.335 . . . . . . . . . . . 16428 1 29 DHN . 1 1 38 38 VAL H H 1 . . 1 1 38 38 VAL N N 15 . 0.895 . . 0.335 . . . . . . . . . . . 16428 1 30 DHN . 1 1 39 39 TYR H H 1 . . 1 1 39 39 TYR N N 15 . -0.641 . . 0.335 . . . . . . . . . . . 16428 1 31 DHN . 1 1 41 41 TRP H H 1 . . 1 1 41 41 TRP N N 15 . 4.178 . . 0.335 . . . . . . . . . . . 16428 1 32 DHN . 1 1 42 42 MET H H 1 . . 1 1 42 42 MET N N 15 . 0.848 . . 0.335 . . . . . . . . . . . 16428 1 33 DHN . 1 1 43 43 ARG H H 1 . . 1 1 43 43 ARG N N 15 . 0.087 . . 0.335 . . . . . . . . . . . 16428 1 34 DHN . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . 2.525 . . 0.335 . . . . . . . . . . . 16428 1 35 DHN . 1 1 46 46 CYS H H 1 . . 1 1 46 46 CYS N N 15 . -3.049 . . 0.335 . . . . . . . . . . . 16428 1 36 DHN . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . -4.401 . . 0.335 . . . . . . . . . . . 16428 1 37 DHN . 1 1 48 48 ARG H H 1 . . 1 1 48 48 ARG N N 15 . -7.054 . . 0.335 . . . . . . . . . . . 16428 1 38 DHN . 1 1 49 49 TYR H H 1 . . 1 1 49 49 TYR N N 15 . 2.436 . . 0.335 . . . . . . . . . . . 16428 1 39 DHN . 1 1 50 50 ASN H H 1 . . 1 1 50 50 ASN N N 15 . -0.090 . . 0.335 . . . . . . . . . . . 16428 1 40 DHN . 1 1 52 52 ALA H H 1 . . 1 1 52 52 ALA N N 15 . -0.572 . . 0.335 . . . . . . . . . . . 16428 1 41 DHN . 1 1 53 53 TYR H H 1 . . 1 1 53 53 TYR N N 15 . -0.781 . . 0.335 . . . . . . . . . . . 16428 1 42 DHN . 1 1 54 54 TRP H H 1 . . 1 1 54 54 TRP N N 15 . -5.292 . . 0.335 . . . . . . . . . . . 16428 1 43 DHN . 1 1 55 55 HIS H H 1 . . 1 1 55 55 HIS N N 15 . 1.459 . . 0.335 . . . . . . . . . . . 16428 1 44 DHN . 1 1 56 56 TYR H H 1 . . 1 1 56 56 TYR N N 15 . 3.818 . . 0.335 . . . . . . . . . . . 16428 1 45 DHN . 1 1 57 57 TYR H H 1 . . 1 1 57 57 TYR N N 15 . 3.539 . . 0.335 . . . . . . . . . . . 16428 1 46 DHN . 1 1 58 58 ALA H H 1 . . 1 1 58 58 ALA N N 15 . 2.532 . . 0.335 . . . . . . . . . . . 16428 1 47 DHN . 1 1 62 62 GLY H H 1 . . 1 1 62 62 GLY N N 15 . 3.292 . . 0.335 . . . . . . . . . . . 16428 1 48 DHN . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR N N 15 . 3.677 . . 0.335 . . . . . . . . . . . 16428 1 49 DHN . 1 1 66 66 MET H H 1 . . 1 1 66 66 MET N N 15 . 4.086 . . 0.335 . . . . . . . . . . . 16428 1 50 DHN . 1 1 67 67 ALA H H 1 . . 1 1 67 67 ALA N N 15 . 2.781 . . 0.335 . . . . . . . . . . . 16428 1 51 DHN . 1 1 69 69 ASP H H 1 . . 1 1 69 69 ASP N N 15 . -6.820 . . 0.335 . . . . . . . . . . . 16428 1 52 DHN . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU N N 15 . -2.258 . . 0.335 . . . . . . . . . . . 16428 1 53 DHN . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . -4.377 . . 0.335 . . . . . . . . . . . 16428 1 54 DHN . 1 1 72 72 GLY H H 1 . . 1 1 72 72 GLY N N 15 . 0.982 . . 0.335 . . . . . . . . . . . 16428 1 55 DHN . 1 1 73 73 ARG H H 1 . . 1 1 73 73 ARG N N 15 . 2.285 . . 0.335 . . . . . . . . . . . 16428 1 56 DHN . 1 1 74 74 LEU H H 1 . . 1 1 74 74 LEU N N 15 . 0.398 . . 0.335 . . . . . . . . . . . 16428 1 57 DHN . 1 1 75 75 GLU H H 1 . . 1 1 75 75 GLU N N 15 . -3.918 . . 0.335 . . . . . . . . . . . 16428 1 58 DHN . 1 1 77 77 GLU H H 1 . . 1 1 77 77 GLU N N 15 . -5.228 . . 0.335 . . . . . . . . . . . 16428 1 59 DHN . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . -5.742 . . 0.335 . . . . . . . . . . . 16428 1 60 DHN . 1 1 79 79 ASN H H 1 . . 1 1 79 79 ASN N N 15 . -3.751 . . 0.335 . . . . . . . . . . . 16428 1 61 DHN . 1 1 80 80 GLY H H 1 . . 1 1 80 80 GLY N N 15 . 1.698 . . 0.335 . . . . . . . . . . . 16428 1 62 DHN . 1 1 81 81 ASN H H 1 . . 1 1 81 81 ASN N N 15 . 1.873 . . 0.335 . . . . . . . . . . . 16428 1 63 DHN . 1 1 82 82 GLY H H 1 . . 1 1 82 82 GLY N N 15 . -6.593 . . 0.335 . . . . . . . . . . . 16428 1 64 DHN . 1 1 83 83 PHE H H 1 . . 1 1 83 83 PHE N N 15 . 0.529 . . 0.335 . . . . . . . . . . . 16428 1 65 DHN . 1 1 84 84 ARG H H 1 . . 1 1 84 84 ARG N N 15 . -7.438 . . 0.335 . . . . . . . . . . . 16428 1 66 DHN . 1 1 85 85 GLY H H 1 . . 1 1 85 85 GLY N N 15 . -6.801 . . 0.335 . . . . . . . . . . . 16428 1 67 DHN . 1 1 87 87 LEU H H 1 . . 1 1 87 87 LEU N N 15 . -5.485 . . 0.335 . . . . . . . . . . . 16428 1 68 DHN . 1 1 88 88 SER H H 1 . . 1 1 88 88 SER N N 15 . -4.274 . . 0.335 . . . . . . . . . . . 16428 1 69 DHN . 1 1 89 89 ALA H H 1 . . 1 1 89 89 ALA N N 15 . 2.679 . . 0.335 . . . . . . . . . . . 16428 1 70 DHN . 1 1 90 90 ASP H H 1 . . 1 1 90 90 ASP N N 15 . -0.089 . . 0.335 . . . . . . . . . . . 16428 1 71 DHN . 1 1 91 91 ALA H H 1 . . 1 1 91 91 ALA N N 15 . 2.006 . . 0.335 . . . . . . . . . . . 16428 1 72 DHN . 1 1 92 92 ALA H H 1 . . 1 1 92 92 ALA N N 15 . 2.719 . . 0.335 . . . . . . . . . . . 16428 1 73 DHN . 1 1 93 93 GLY H H 1 . . 1 1 93 93 GLY N N 15 . 1.090 . . 0.335 . . . . . . . . . . . 16428 1 74 DHN . 1 1 94 94 ILE H H 1 . . 1 1 94 94 ILE N N 15 . -0.815 . . 0.335 . . . . . . . . . . . 16428 1 75 DHN . 1 1 96 96 ALA H H 1 . . 1 1 96 96 ALA N N 15 . 2.354 . . 0.335 . . . . . . . . . . . 16428 1 76 DHN . 1 1 97 97 THR H H 1 . . 1 1 97 97 THR N N 15 . -1.480 . . 0.335 . . . . . . . . . . . 16428 1 77 DHN . 1 1 98 98 LEU H H 1 . . 1 1 98 98 LEU N N 15 . 0.159 . . 0.335 . . . . . . . . . . . 16428 1 78 DHN . 1 1 99 99 PHE H H 1 . . 1 1 99 99 PHE N N 15 . 2.149 . . 0.335 . . . . . . . . . . . 16428 1 79 DHN . 1 1 100 100 ALA H H 1 . . 1 1 100 100 ALA N N 15 . 1.663 . . 0.335 . . . . . . . . . . . 16428 1 80 DHN . 1 1 101 101 LEU H H 1 . . 1 1 101 101 LEU N N 15 . -1.341 . . 0.335 . . . . . . . . . . . 16428 1 81 DHN . 1 1 102 102 GLY H H 1 . . 1 1 102 102 GLY N N 15 . 1.034 . . 0.335 . . . . . . . . . . . 16428 1 82 DHN . 1 1 103 103 GLN H H 1 . . 1 1 103 103 GLN N N 15 . 2.542 . . 0.335 . . . . . . . . . . . 16428 1 83 DHN . 1 1 104 104 LEU H H 1 . . 1 1 104 104 LEU N N 15 . 0.368 . . 0.335 . . . . . . . . . . . 16428 1 84 DHN . 1 1 105 105 ALA H H 1 . . 1 1 105 105 ALA N N 15 . -1.424 . . 0.335 . . . . . . . . . . . 16428 1 85 DHN . 1 1 106 106 ALA H H 1 . . 1 1 106 106 ALA N N 15 . 2.328 . . 0.335 . . . . . . . . . . . 16428 1 86 DHN . 1 1 107 107 GLU H H 1 . . 1 1 107 107 GLU N N 15 . 2.201 . . 0.335 . . . . . . . . . . . 16428 1 87 DHN . 1 1 112 112 ASP H H 1 . . 1 1 112 112 ASP N N 15 . -5.100 . . 0.335 . . . . . . . . . . . 16428 1 88 DHN . 1 1 113 113 ALA H H 1 . . 1 1 113 113 ALA N N 15 . -3.328 . . 0.335 . . . . . . . . . . . 16428 1 89 DHN . 1 1 115 115 ASP H H 1 . . 1 1 115 115 ASP N N 15 . -1.365 . . 0.335 . . . . . . . . . . . 16428 1 90 DHN . 1 1 116 116 ALA H H 1 . . 1 1 116 116 ALA N N 15 . -5.390 . . 0.335 . . . . . . . . . . . 16428 1 91 DHN . 1 1 117 117 LEU H H 1 . . 1 1 117 117 LEU N N 15 . -1.525 . . 0.335 . . . . . . . . . . . 16428 1 92 DHN . 1 1 120 120 ARG H H 1 . . 1 1 120 120 ARG N N 15 . -5.282 . . 0.335 . . . . . . . . . . . 16428 1 93 DHN . 1 1 121 121 TYR H H 1 . . 1 1 121 121 TYR N N 15 . -0.700 . . 0.335 . . . . . . . . . . . 16428 1 94 DHN . 1 1 124 124 LEU H H 1 . . 1 1 124 124 LEU N N 15 . -4.063 . . 0.335 . . . . . . . . . . . 16428 1 95 DHN . 1 1 125 125 ARG H H 1 . . 1 1 125 125 ARG N N 15 . -2.010 . . 0.335 . . . . . . . . . . . 16428 1 96 DHN . 1 1 126 126 GLY H H 1 . . 1 1 126 126 GLY N N 15 . -1.828 . . 0.335 . . . . . . . . . . . 16428 1 97 DHN . 1 1 127 127 PHE H H 1 . . 1 1 127 127 PHE N N 15 . -5.569 . . 0.335 . . . . . . . . . . . 16428 1 98 DHN . 1 1 129 129 ALA H H 1 . . 1 1 129 129 ALA N N 15 . 1.515 . . 0.335 . . . . . . . . . . . 16428 1 99 DHN . 1 1 130 130 GLY H H 1 . . 1 1 130 130 GLY N N 15 . -5.087 . . 0.335 . . . . . . . . . . . 16428 1 100 DHN . 1 1 131 131 HIS H H 1 . . 1 1 131 131 HIS N N 15 . 2.131 . . 0.335 . . . . . . . . . . . 16428 1 101 DHN . 1 1 133 133 GLU H H 1 . . 1 1 133 133 GLU N N 15 . -0.641 . . 0.335 . . . . . . . . . . . 16428 1 102 DHN . 1 1 134 134 ALA H H 1 . . 1 1 134 134 ALA N N 15 . 1.958 . . 0.335 . . . . . . . . . . . 16428 1 103 DHN . 1 1 135 135 ALA H H 1 . . 1 1 135 135 ALA N N 15 . -0.311 . . 0.335 . . . . . . . . . . . 16428 1 104 DHN . 1 1 136 136 ALA H H 1 . . 1 1 136 136 ALA N N 15 . 3.060 . . 0.335 . . . . . . . . . . . 16428 1 105 DHN . 1 1 137 137 ILE H H 1 . . 1 1 137 137 ILE N N 15 . -0.483 . . 0.335 . . . . . . . . . . . 16428 1 106 DHN . 1 1 138 138 TYR H H 1 . . 1 1 138 138 TYR N N 15 . -3.145 . . 0.335 . . . . . . . . . . . 16428 1 107 DHN . 1 1 139 139 ARG H H 1 . . 1 1 139 139 ARG N N 15 . 1.808 . . 0.335 . . . . . . . . . . . 16428 1 108 DHN . 1 1 140 140 ALA H H 1 . . 1 1 140 140 ALA N N 15 . 2.346 . . 0.335 . . . . . . . . . . . 16428 1 109 DHN . 1 1 141 141 ILE H H 1 . . 1 1 141 141 ILE N N 15 . -2.967 . . 0.335 . . . . . . . . . . . 16428 1 110 DHN . 1 1 142 142 ASP H H 1 . . 1 1 142 142 ASP N N 15 . 0.990 . . 0.335 . . . . . . . . . . . 16428 1 stop_ save_