data_18447 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18447 _Entry.Title ; NMR high resolution structures of free Tah1 and Tah1 bound to the Hsp90 C-terminal tail explain how Hsp90 recognizes the R2TP complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-07 _Entry.Accession_date 2012-05-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Regis BACK . . . 18447 2 Cyril DOMINGUEZ . . . 18447 3 Benjamin ROTHE . . . 18447 4 Claude BOBO . . . 18447 5 Chrystel BEAUFILS . . . 18447 6 Solange MORERA . . . 18447 7 Philippe MEYER . . . 18447 8 Bruno CHARPENTIER . . . 18447 9 Christiane BRANLANT . . . 18447 10 'Frederic H.-T.' ALLAIN . . . 18447 11 Xavier MANIVAL . . . 18447 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18447 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein/Peptide . 18447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 18447 '15N chemical shifts' 119 18447 '1H chemical shifts' 806 18447 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 2 . . 2014-02-24 2012-05-07 update BMRB 'update entry citation' 18447 1 . . 2013-05-20 2012-05-07 original author 'original release' 18447 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSU . 18447 PDB 2LSV 'BMRB Entry Tracking System' 18447 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18447 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24012479 _Citation.Full_citation . _Citation.Title 'High-resolution structural analysis shows how Tah1 tethers Hsp90 to the R2TP complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 10 _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 1834 _Citation.Page_last 1847 _Citation.Year 2013 _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 Regis Back . . . 18447 1 2 Cyril Dominguez . . . 18447 1 3 Benjamin Rothe . . . 18447 1 4 Claude Bobo . . . 18447 1 5 Chrystel Beaufils . . . 18447 1 6 Solange Morera . . . 18447 1 7 Philippe Meyer . . . 18447 1 8 Bruno Charpentier . . . 18447 1 9 Christiane Branlant . . . 18447 1 10 'Frederic H-T' Allain . . . 18447 1 11 Xavier Manival . . . 18447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18447 _Assembly.ID 1 _Assembly.Name 'yeast Tah1 in complex with the Hsp90 C-terminal tail' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'yeast Tah1' 1 $entity_1 A . yes native no no . . . 18447 1 2 'Hsp90 C-terminal tail' 2 $entity_2 B . yes native no no . . . 18447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18447 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SQFEKQKEQGNSLFKQGLYR EAVHCYDQLITAQPQNPVGY SNKAMALIKLGEYTQAIQMC QQGLRYTSTAEHVAIRSKLQ YRLELAQGAVGSVQIPVVEV DELPEGYDRS ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12393.052 _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 UniProtKB P25638 . Tah1 . . . . . . . . . . . . . . 18447 1 2 no BMRB 17312 . Tah1 . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 3 no BMRB 18445 . entity . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18447 1 4 no PDB 2L6J . "Tah1 Complexed By Meevd" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 5 no PDB 2LSU . "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18447 1 6 no PDB 2LSV . "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" . . . . . 100.00 110 100.00 100.00 1.42e-73 . . . . 18447 1 7 no PDB 4CGQ . "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" . . . . . 100.00 111 98.18 98.18 2.30e-71 . . . . 18447 1 8 no PDB 4CGU . "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" . . . . . 100.00 112 98.18 98.18 2.67e-71 . . . . 18447 1 9 no DBJ GAA21965 . "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 111 97.27 98.18 1.13e-71 . . . . 18447 1 10 no EMBL CAA42288 . "hypothetical protein [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 11 no EMBL CAY78265 . "Tah1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 12 no GB AAS56477 . "YCR060W [Saccharomyces cerevisiae]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 13 no GB AHN96120 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 14 no GB AHV79323 . "TAH1 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 15 no GB AHY79733 . "Tah1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 16 no GB AJP37484 . "Tah1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 17 no REF NP_009986 . "Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 18 no SP P25638 . "RecName: Full=TPR repeat-containing protein associated with Hsp90" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 1 19 no TPG DAA07534 . "TPA: Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 111 100.00 100.00 1.18e-73 . . . . 18447 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 . SER . 18447 1 2 . GLN . 18447 1 3 4 PHE . 18447 1 4 5 GLU . 18447 1 5 6 LYS . 18447 1 6 7 GLN . 18447 1 7 8 LYS . 18447 1 8 9 GLU . 18447 1 9 10 GLN . 18447 1 10 11 GLY . 18447 1 11 12 ASN . 18447 1 12 13 SER . 18447 1 13 14 LEU . 18447 1 14 15 PHE . 18447 1 15 16 LYS . 18447 1 16 17 GLN . 18447 1 17 18 GLY . 18447 1 18 19 LEU . 18447 1 19 20 TYR . 18447 1 20 21 ARG . 18447 1 21 22 GLU . 18447 1 22 23 ALA . 18447 1 23 24 VAL . 18447 1 24 25 HIS . 18447 1 25 26 CYS . 18447 1 26 27 TYR . 18447 1 27 28 ASP . 18447 1 28 29 GLN . 18447 1 29 30 LEU . 18447 1 30 31 ILE . 18447 1 31 32 THR . 18447 1 32 33 ALA . 18447 1 33 34 GLN . 18447 1 34 35 PRO . 18447 1 35 36 GLN . 18447 1 36 37 ASN . 18447 1 37 38 PRO . 18447 1 38 39 VAL . 18447 1 39 40 GLY . 18447 1 40 41 TYR . 18447 1 41 42 SER . 18447 1 42 43 ASN . 18447 1 43 44 LYS . 18447 1 44 45 ALA . 18447 1 45 46 MET . 18447 1 46 47 ALA . 18447 1 47 48 LEU . 18447 1 48 49 ILE . 18447 1 49 50 LYS . 18447 1 50 51 LEU . 18447 1 51 52 GLY . 18447 1 52 53 GLU . 18447 1 53 54 TYR . 18447 1 54 55 THR . 18447 1 55 56 GLN . 18447 1 56 57 ALA . 18447 1 57 58 ILE . 18447 1 58 59 GLN . 18447 1 59 60 MET . 18447 1 60 61 CYS . 18447 1 61 62 GLN . 18447 1 62 63 GLN . 18447 1 63 64 GLY . 18447 1 64 65 LEU . 18447 1 65 66 ARG . 18447 1 66 67 TYR . 18447 1 67 68 THR . 18447 1 68 69 SER . 18447 1 69 70 THR . 18447 1 70 71 ALA . 18447 1 71 72 GLU . 18447 1 72 73 HIS . 18447 1 73 74 VAL . 18447 1 74 75 ALA . 18447 1 75 76 ILE . 18447 1 76 77 ARG . 18447 1 77 78 SER . 18447 1 78 79 LYS . 18447 1 79 80 LEU . 18447 1 80 81 GLN . 18447 1 81 82 TYR . 18447 1 82 83 ARG . 18447 1 83 84 LEU . 18447 1 84 85 GLU . 18447 1 85 86 LEU . 18447 1 86 87 ALA . 18447 1 87 88 GLN . 18447 1 88 89 GLY . 18447 1 89 90 ALA . 18447 1 90 91 VAL . 18447 1 91 92 GLY . 18447 1 92 93 SER . 18447 1 93 94 VAL . 18447 1 94 95 GLN . 18447 1 95 96 ILE . 18447 1 96 97 PRO . 18447 1 97 98 VAL . 18447 1 98 99 VAL . 18447 1 99 100 GLU . 18447 1 100 101 VAL . 18447 1 101 102 ASP . 18447 1 102 103 GLU . 18447 1 103 104 LEU . 18447 1 104 105 PRO . 18447 1 105 106 GLU . 18447 1 106 107 GLY . 18447 1 107 108 TYR . 18447 1 108 109 ASP . 18447 1 109 110 ARG . 18447 1 110 111 SER . 18447 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 . SER 1 1 18447 1 . GLN 2 2 18447 1 . PHE 3 3 18447 1 . GLU 4 4 18447 1 . LYS 5 5 18447 1 . GLN 6 6 18447 1 . LYS 7 7 18447 1 . GLU 8 8 18447 1 . GLN 9 9 18447 1 . GLY 10 10 18447 1 . ASN 11 11 18447 1 . SER 12 12 18447 1 . LEU 13 13 18447 1 . PHE 14 14 18447 1 . LYS 15 15 18447 1 . GLN 16 16 18447 1 . GLY 17 17 18447 1 . LEU 18 18 18447 1 . TYR 19 19 18447 1 . ARG 20 20 18447 1 . GLU 21 21 18447 1 . ALA 22 22 18447 1 . VAL 23 23 18447 1 . HIS 24 24 18447 1 . CYS 25 25 18447 1 . TYR 26 26 18447 1 . ASP 27 27 18447 1 . GLN 28 28 18447 1 . LEU 29 29 18447 1 . ILE 30 30 18447 1 . THR 31 31 18447 1 . ALA 32 32 18447 1 . GLN 33 33 18447 1 . PRO 34 34 18447 1 . GLN 35 35 18447 1 . ASN 36 36 18447 1 . PRO 37 37 18447 1 . VAL 38 38 18447 1 . GLY 39 39 18447 1 . TYR 40 40 18447 1 . SER 41 41 18447 1 . ASN 42 42 18447 1 . LYS 43 43 18447 1 . ALA 44 44 18447 1 . MET 45 45 18447 1 . ALA 46 46 18447 1 . LEU 47 47 18447 1 . ILE 48 48 18447 1 . LYS 49 49 18447 1 . LEU 50 50 18447 1 . GLY 51 51 18447 1 . GLU 52 52 18447 1 . TYR 53 53 18447 1 . THR 54 54 18447 1 . GLN 55 55 18447 1 . ALA 56 56 18447 1 . ILE 57 57 18447 1 . GLN 58 58 18447 1 . MET 59 59 18447 1 . CYS 60 60 18447 1 . GLN 61 61 18447 1 . GLN 62 62 18447 1 . GLY 63 63 18447 1 . LEU 64 64 18447 1 . ARG 65 65 18447 1 . TYR 66 66 18447 1 . THR 67 67 18447 1 . SER 68 68 18447 1 . THR 69 69 18447 1 . ALA 70 70 18447 1 . GLU 71 71 18447 1 . HIS 72 72 18447 1 . VAL 73 73 18447 1 . ALA 74 74 18447 1 . ILE 75 75 18447 1 . ARG 76 76 18447 1 . SER 77 77 18447 1 . LYS 78 78 18447 1 . LEU 79 79 18447 1 . GLN 80 80 18447 1 . TYR 81 81 18447 1 . ARG 82 82 18447 1 . LEU 83 83 18447 1 . GLU 84 84 18447 1 . LEU 85 85 18447 1 . ALA 86 86 18447 1 . GLN 87 87 18447 1 . GLY 88 88 18447 1 . ALA 89 89 18447 1 . VAL 90 90 18447 1 . GLY 91 91 18447 1 . SER 92 92 18447 1 . VAL 93 93 18447 1 . GLN 94 94 18447 1 . ILE 95 95 18447 1 . PRO 96 96 18447 1 . VAL 97 97 18447 1 . VAL 98 98 18447 1 . GLU 99 99 18447 1 . VAL 100 100 18447 1 . ASP 101 101 18447 1 . GLU 102 102 18447 1 . LEU 103 103 18447 1 . PRO 104 104 18447 1 . GLU 105 105 18447 1 . GLY 106 106 18447 1 . TYR 107 107 18447 1 . ASP 108 108 18447 1 . ARG 109 109 18447 1 . SER 110 110 18447 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18447 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ADTEMEEVD _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Hsp90 C-terminal tail' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1038.046 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . UniProtKB P02829 . Hsp90 . . . . . . . . . . . . . . 18447 2 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 1 701 ALA . 18447 2 2 702 ASP . 18447 2 3 703 THR . 18447 2 4 704 GLU . 18447 2 5 705 MET . 18447 2 6 706 GLU . 18447 2 7 707 GLU . 18447 2 8 708 VAL . 18447 2 9 709 ASP . 18447 2 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 . ALA 1 1 18447 2 . ASP 2 2 18447 2 . THR 3 3 18447 2 . GLU 4 4 18447 2 . MET 5 5 18447 2 . GLU 6 6 18447 2 . GLU 7 7 18447 2 . VAL 8 8 18447 2 . ASP 9 9 18447 2 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 18447 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18447 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18447 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 18447 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pKHS . . . . . . 18447 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18447 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18447 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 18447 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18447 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18447 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18447 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18447 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18447 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18447 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 18447 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18447 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18447 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18447 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18447 _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' 160 . mM 18447 1 pH 7.2 . pH 18447 1 pressure 1 . atm 18447 1 temperature 288 . K 18447 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18447 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18447 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18447 1 processing 18447 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18447 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18447 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18447 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18447 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18447 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18447 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18447 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18447 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18447 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18447 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18447 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18447 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18447 _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 AVIII . 500 . . . 18447 1 2 spectrometer_2 Bruker AVIII . 700 . . . 18447 1 3 spectrometer_3 Bruker Avance . 900 . . . 18447 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 18447 _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 . . . . . . . . . . . . . . . . 18447 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18447 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18447 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18447 1 5 '2D F1-filtered, F2-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 7 '3D 13C F1-filtered, F3 edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 8 '3D 15N F1-filtered, F2 edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 11 '2D F1-filtered, F2-filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 12 '2D 13C F1-filtered, F2-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 13 '3D 13C F1-filtered, F3-edited NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 14 '3D 13C F1-filtered, F3-edited NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18447 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18447 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18447 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18447 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18447 1 19 '2D F1-filterd, F2-filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18447 1 20 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18447 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 18447 _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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 18447 1 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . . . . . 18447 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 18447 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 18447 _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' . . . 18447 1 2 '3D HNCA' . . . 18447 1 3 '2D 1H-13C HSQC' . . . 18447 1 4 '3D H(CCO)NH' . . . 18447 1 5 '2D F1-filtered, F2-filtered NOESY' . . . 18447 1 10 '2D 1H-13C HSQC aromatic' . . . 18447 1 11 '2D F1-filtered, F2-filtered NOESY' . . . 18447 1 16 '3D 1H-13C NOESY aliphatic' . . . 18447 1 17 '3D 1H-13C NOESY aromatic' . . . 18447 1 18 '3D 1H-15N NOESY' . . . 18447 1 19 '2D F1-filterd, F2-filtered TOCSY' . . . 18447 1 20 '2D 1H-13C HSQC aromatic' . . . 18447 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 3 3 PHE H H 1 8.185 0.003 . 1 . . . A 4 PHE H . 18447 1 2 . 1 1 3 3 PHE HA H 1 3.874 0.007 . 1 . . . A 4 PHE HA . 18447 1 3 . 1 1 3 3 PHE HB2 H 1 2.969 0.009 . 2 . . . A 4 PHE HB2 . 18447 1 4 . 1 1 3 3 PHE HB3 H 1 2.775 0.009 . 2 . . . A 4 PHE HB3 . 18447 1 5 . 1 1 3 3 PHE HD1 H 1 6.925 0.000 . 3 . . . A 4 PHE HD1 . 18447 1 6 . 1 1 3 3 PHE HD2 H 1 6.925 0.000 . 3 . . . A 4 PHE HD2 . 18447 1 7 . 1 1 3 3 PHE HE1 H 1 7.213 0.000 . 3 . . . A 4 PHE HE1 . 18447 1 8 . 1 1 3 3 PHE HE2 H 1 7.213 0.000 . 3 . . . A 4 PHE HE2 . 18447 1 9 . 1 1 3 3 PHE HZ H 1 6.803 0.000 . 1 . . . A 4 PHE HZ . 18447 1 10 . 1 1 3 3 PHE CA C 13 61.706 0.028 . 1 . . . A 4 PHE CA . 18447 1 11 . 1 1 3 3 PHE CB C 13 39.897 0.031 . 1 . . . A 4 PHE CB . 18447 1 12 . 1 1 3 3 PHE CD1 C 13 132.295 0.000 . 3 . . . A 4 PHE CD1 . 18447 1 13 . 1 1 3 3 PHE CE1 C 13 131.355 0.000 . 3 . . . A 4 PHE CE1 . 18447 1 14 . 1 1 3 3 PHE CZ C 13 129.448 0.000 . 1 . . . A 4 PHE CZ . 18447 1 15 . 1 1 3 3 PHE N N 15 120.902 0.000 . 1 . . . A 4 PHE N . 18447 1 16 . 1 1 4 4 GLU H H 1 7.965 0.013 . 1 . . . A 5 GLU H . 18447 1 17 . 1 1 4 4 GLU HA H 1 3.766 0.009 . 1 . . . A 5 GLU HA . 18447 1 18 . 1 1 4 4 GLU HB2 H 1 2.007 0.007 . 2 . . . A 5 GLU HB2 . 18447 1 19 . 1 1 4 4 GLU HB3 H 1 1.795 0.008 . 2 . . . A 5 GLU HB3 . 18447 1 20 . 1 1 4 4 GLU HG2 H 1 2.301 0.007 . 2 . . . A 5 GLU HG2 . 18447 1 21 . 1 1 4 4 GLU HG3 H 1 2.301 0.007 . 2 . . . A 5 GLU HG3 . 18447 1 22 . 1 1 4 4 GLU CA C 13 59.510 0.020 . 1 . . . A 5 GLU CA . 18447 1 23 . 1 1 4 4 GLU CB C 13 28.927 0.058 . 1 . . . A 5 GLU CB . 18447 1 24 . 1 1 4 4 GLU CG C 13 36.596 0.033 . 1 . . . A 5 GLU CG . 18447 1 25 . 1 1 4 4 GLU N N 15 116.709 0.000 . 1 . . . A 5 GLU N . 18447 1 26 . 1 1 5 5 LYS H H 1 7.848 0.009 . 1 . . . A 6 LYS H . 18447 1 27 . 1 1 5 5 LYS HA H 1 3.940 0.007 . 1 . . . A 6 LYS HA . 18447 1 28 . 1 1 5 5 LYS HB2 H 1 1.773 0.014 . 2 . . . A 6 LYS HB2 . 18447 1 29 . 1 1 5 5 LYS HB3 H 1 1.719 0.006 . 2 . . . A 6 LYS HB3 . 18447 1 30 . 1 1 5 5 LYS HG2 H 1 1.427 0.011 . 2 . . . A 6 LYS HG2 . 18447 1 31 . 1 1 5 5 LYS HG3 H 1 1.280 0.006 . 2 . . . A 6 LYS HG3 . 18447 1 32 . 1 1 5 5 LYS HD2 H 1 1.502 0.006 . 2 . . . A 6 LYS HD2 . 18447 1 33 . 1 1 5 5 LYS HD3 H 1 1.502 0.006 . 2 . . . A 6 LYS HD3 . 18447 1 34 . 1 1 5 5 LYS HE2 H 1 2.789 0.008 . 2 . . . A 6 LYS HE2 . 18447 1 35 . 1 1 5 5 LYS HE3 H 1 2.789 0.008 . 2 . . . A 6 LYS HE3 . 18447 1 36 . 1 1 5 5 LYS CA C 13 59.092 0.023 . 1 . . . A 6 LYS CA . 18447 1 37 . 1 1 5 5 LYS CB C 13 32.014 0.030 . 1 . . . A 6 LYS CB . 18447 1 38 . 1 1 5 5 LYS CG C 13 24.830 0.019 . 1 . . . A 6 LYS CG . 18447 1 39 . 1 1 5 5 LYS CD C 13 28.815 0.016 . 1 . . . A 6 LYS CD . 18447 1 40 . 1 1 5 5 LYS CE C 13 41.970 0.014 . 1 . . . A 6 LYS CE . 18447 1 41 . 1 1 5 5 LYS N N 15 119.956 0.000 . 1 . . . A 6 LYS N . 18447 1 42 . 1 1 6 6 GLN H H 1 8.336 0.007 . 1 . . . A 7 GLN H . 18447 1 43 . 1 1 6 6 GLN HA H 1 3.891 0.003 . 1 . . . A 7 GLN HA . 18447 1 44 . 1 1 6 6 GLN HB2 H 1 1.612 0.006 . 2 . . . A 7 GLN HB2 . 18447 1 45 . 1 1 6 6 GLN HB3 H 1 1.612 0.006 . 2 . . . A 7 GLN HB3 . 18447 1 46 . 1 1 6 6 GLN HG2 H 1 2.344 0.007 . 2 . . . A 7 GLN HG2 . 18447 1 47 . 1 1 6 6 GLN HG3 H 1 2.016 0.011 . 2 . . . A 7 GLN HG3 . 18447 1 48 . 1 1 6 6 GLN HE21 H 1 6.408 0.000 . 2 . . . A 7 GLN HE21 . 18447 1 49 . 1 1 6 6 GLN HE22 H 1 6.959 0.000 . 2 . . . A 7 GLN HE22 . 18447 1 50 . 1 1 6 6 GLN CA C 13 59.105 0.006 . 1 . . . A 7 GLN CA . 18447 1 51 . 1 1 6 6 GLN CB C 13 28.152 0.016 . 1 . . . A 7 GLN CB . 18447 1 52 . 1 1 6 6 GLN CG C 13 34.960 0.023 . 1 . . . A 7 GLN CG . 18447 1 53 . 1 1 6 6 GLN N N 15 120.044 0.000 . 1 . . . A 7 GLN N . 18447 1 54 . 1 1 6 6 GLN NE2 N 15 108.549 0.002 . 1 . . . A 7 GLN NE2 . 18447 1 55 . 1 1 7 7 LYS H H 1 8.297 0.010 . 1 . . . A 8 LYS H . 18447 1 56 . 1 1 7 7 LYS HA H 1 3.484 0.007 . 1 . . . A 8 LYS HA . 18447 1 57 . 1 1 7 7 LYS HB2 H 1 1.805 0.011 . 2 . . . A 8 LYS HB2 . 18447 1 58 . 1 1 7 7 LYS HB3 H 1 1.150 0.012 . 2 . . . A 8 LYS HB3 . 18447 1 59 . 1 1 7 7 LYS HG2 H 1 1.321 0.006 . 2 . . . A 8 LYS HG2 . 18447 1 60 . 1 1 7 7 LYS HG3 H 1 0.924 0.013 . 2 . . . A 8 LYS HG3 . 18447 1 61 . 1 1 7 7 LYS HD2 H 1 2.028 0.009 . 2 . . . A 8 LYS HD2 . 18447 1 62 . 1 1 7 7 LYS HD3 H 1 1.195 0.007 . 2 . . . A 8 LYS HD3 . 18447 1 63 . 1 1 7 7 LYS HE2 H 1 3.019 0.003 . 2 . . . A 8 LYS HE2 . 18447 1 64 . 1 1 7 7 LYS HE3 H 1 2.670 0.005 . 2 . . . A 8 LYS HE3 . 18447 1 65 . 1 1 7 7 LYS CA C 13 60.654 0.016 . 1 . . . A 8 LYS CA . 18447 1 66 . 1 1 7 7 LYS CB C 13 31.071 0.055 . 1 . . . A 8 LYS CB . 18447 1 67 . 1 1 7 7 LYS CG C 13 23.434 0.063 . 1 . . . A 8 LYS CG . 18447 1 68 . 1 1 7 7 LYS CD C 13 29.043 0.049 . 1 . . . A 8 LYS CD . 18447 1 69 . 1 1 7 7 LYS CE C 13 40.542 0.031 . 1 . . . A 8 LYS CE . 18447 1 70 . 1 1 7 7 LYS N N 15 122.050 0.000 . 1 . . . A 8 LYS N . 18447 1 71 . 1 1 8 8 GLU H H 1 8.060 0.010 . 1 . . . A 9 GLU H . 18447 1 72 . 1 1 8 8 GLU HA H 1 3.846 0.006 . 1 . . . A 9 GLU HA . 18447 1 73 . 1 1 8 8 GLU HB2 H 1 1.994 0.010 . 2 . . . A 9 GLU HB2 . 18447 1 74 . 1 1 8 8 GLU HB3 H 1 1.994 0.010 . 2 . . . A 9 GLU HB3 . 18447 1 75 . 1 1 8 8 GLU HG2 H 1 2.258 0.015 . 2 . . . A 9 GLU HG2 . 18447 1 76 . 1 1 8 8 GLU HG3 H 1 2.151 0.006 . 2 . . . A 9 GLU HG3 . 18447 1 77 . 1 1 8 8 GLU CA C 13 59.182 0.030 . 1 . . . A 9 GLU CA . 18447 1 78 . 1 1 8 8 GLU CB C 13 29.133 0.027 . 1 . . . A 9 GLU CB . 18447 1 79 . 1 1 8 8 GLU CG C 13 36.016 0.018 . 1 . . . A 9 GLU CG . 18447 1 80 . 1 1 8 8 GLU N N 15 118.354 0.000 . 1 . . . A 9 GLU N . 18447 1 81 . 1 1 9 9 GLN H H 1 8.037 0.007 . 1 . . . A 10 GLN H . 18447 1 82 . 1 1 9 9 GLN HA H 1 3.993 0.010 . 1 . . . A 10 GLN HA . 18447 1 83 . 1 1 9 9 GLN HB2 H 1 1.899 0.008 . 2 . . . A 10 GLN HB2 . 18447 1 84 . 1 1 9 9 GLN HB3 H 1 2.084 0.011 . 2 . . . A 10 GLN HB3 . 18447 1 85 . 1 1 9 9 GLN HG2 H 1 2.281 0.007 . 2 . . . A 10 GLN HG2 . 18447 1 86 . 1 1 9 9 GLN HG3 H 1 2.281 0.007 . 2 . . . A 10 GLN HG3 . 18447 1 87 . 1 1 9 9 GLN HE21 H 1 6.689 0.004 . 2 . . . A 10 GLN HE21 . 18447 1 88 . 1 1 9 9 GLN HE22 H 1 7.012 0.001 . 2 . . . A 10 GLN HE22 . 18447 1 89 . 1 1 9 9 GLN CA C 13 58.831 0.012 . 1 . . . A 10 GLN CA . 18447 1 90 . 1 1 9 9 GLN CB C 13 27.984 0.029 . 1 . . . A 10 GLN CB . 18447 1 91 . 1 1 9 9 GLN CG C 13 33.472 0.019 . 1 . . . A 10 GLN CG . 18447 1 92 . 1 1 9 9 GLN N N 15 120.774 0.000 . 1 . . . A 10 GLN N . 18447 1 93 . 1 1 9 9 GLN NE2 N 15 110.420 0.025 . 1 . . . A 10 GLN NE2 . 18447 1 94 . 1 1 10 10 GLY H H 1 8.597 0.006 . 1 . . . A 11 GLY H . 18447 1 95 . 1 1 10 10 GLY HA2 H 1 3.250 0.000 . 2 . . . A 11 GLY HA2 . 18447 1 96 . 1 1 10 10 GLY HA3 H 1 3.133 0.000 . 2 . . . A 11 GLY HA3 . 18447 1 97 . 1 1 10 10 GLY CA C 13 48.052 0.013 . 1 . . . A 11 GLY CA . 18447 1 98 . 1 1 10 10 GLY N N 15 108.620 0.000 . 1 . . . A 11 GLY N . 18447 1 99 . 1 1 11 11 ASN H H 1 8.874 0.009 . 1 . . . A 12 ASN H . 18447 1 100 . 1 1 11 11 ASN HA H 1 4.369 0.008 . 1 . . . A 12 ASN HA . 18447 1 101 . 1 1 11 11 ASN HB2 H 1 2.838 0.010 . 2 . . . A 12 ASN HB2 . 18447 1 102 . 1 1 11 11 ASN HB3 H 1 2.585 0.015 . 2 . . . A 12 ASN HB3 . 18447 1 103 . 1 1 11 11 ASN HD21 H 1 7.119 0.000 . 2 . . . A 12 ASN HD21 . 18447 1 104 . 1 1 11 11 ASN HD22 H 1 7.190 0.000 . 2 . . . A 12 ASN HD22 . 18447 1 105 . 1 1 11 11 ASN CA C 13 55.381 0.081 . 1 . . . A 12 ASN CA . 18447 1 106 . 1 1 11 11 ASN CB C 13 36.414 0.078 . 1 . . . A 12 ASN CB . 18447 1 107 . 1 1 11 11 ASN N N 15 120.846 0.000 . 1 . . . A 12 ASN N . 18447 1 108 . 1 1 11 11 ASN ND2 N 15 108.444 0.004 . 1 . . . A 12 ASN ND2 . 18447 1 109 . 1 1 12 12 SER H H 1 8.281 0.009 . 1 . . . A 13 SER H . 18447 1 110 . 1 1 12 12 SER HA H 1 4.108 0.003 . 1 . . . A 13 SER HA . 18447 1 111 . 1 1 12 12 SER HB2 H 1 3.885 0.001 . 2 . . . A 13 SER HB2 . 18447 1 112 . 1 1 12 12 SER HB3 H 1 3.885 0.001 . 2 . . . A 13 SER HB3 . 18447 1 113 . 1 1 12 12 SER CA C 13 61.486 0.001 . 1 . . . A 13 SER CA . 18447 1 114 . 1 1 12 12 SER CB C 13 59.274 0.000 . 1 . . . A 13 SER CB . 18447 1 115 . 1 1 12 12 SER N N 15 118.136 0.000 . 1 . . . A 13 SER N . 18447 1 116 . 1 1 13 13 LEU H H 1 7.876 0.008 . 1 . . . A 14 LEU H . 18447 1 117 . 1 1 13 13 LEU HA H 1 3.824 0.008 . 1 . . . A 14 LEU HA . 18447 1 118 . 1 1 13 13 LEU HB2 H 1 1.771 0.009 . 2 . . . A 14 LEU HB2 . 18447 1 119 . 1 1 13 13 LEU HB3 H 1 1.428 0.013 . 2 . . . A 14 LEU HB3 . 18447 1 120 . 1 1 13 13 LEU HG H 1 1.633 0.006 . 1 . . . A 14 LEU HG . 18447 1 121 . 1 1 13 13 LEU HD11 H 1 0.663 0.013 . 1 . . . A 14 LEU HD11 . 18447 1 122 . 1 1 13 13 LEU HD12 H 1 0.663 0.013 . 1 . . . A 14 LEU HD12 . 18447 1 123 . 1 1 13 13 LEU HD13 H 1 0.663 0.013 . 1 . . . A 14 LEU HD13 . 18447 1 124 . 1 1 13 13 LEU CA C 13 58.159 0.020 . 1 . . . A 14 LEU CA . 18447 1 125 . 1 1 13 13 LEU CB C 13 40.483 0.053 . 1 . . . A 14 LEU CB . 18447 1 126 . 1 1 13 13 LEU CG C 13 26.594 0.078 . 1 . . . A 14 LEU CG . 18447 1 127 . 1 1 13 13 LEU CD1 C 13 22.910 0.006 . 2 . . . A 14 LEU CD1 . 18447 1 128 . 1 1 13 13 LEU N N 15 123.268 0.000 . 1 . . . A 14 LEU N . 18447 1 129 . 1 1 14 14 PHE H H 1 8.808 0.013 . 1 . . . A 15 PHE H . 18447 1 130 . 1 1 14 14 PHE HA H 1 3.434 0.001 . 1 . . . A 15 PHE HA . 18447 1 131 . 1 1 14 14 PHE HB2 H 1 3.458 0.010 . 2 . . . A 15 PHE HB2 . 18447 1 132 . 1 1 14 14 PHE HB3 H 1 3.114 0.011 . 2 . . . A 15 PHE HB3 . 18447 1 133 . 1 1 14 14 PHE HD1 H 1 7.056 0.005 . 3 . . . A 15 PHE HD1 . 18447 1 134 . 1 1 14 14 PHE HD2 H 1 7.056 0.005 . 3 . . . A 15 PHE HD2 . 18447 1 135 . 1 1 14 14 PHE HE1 H 1 7.072 0.000 . 3 . . . A 15 PHE HE1 . 18447 1 136 . 1 1 14 14 PHE HE2 H 1 7.072 0.000 . 3 . . . A 15 PHE HE2 . 18447 1 137 . 1 1 14 14 PHE CA C 13 62.426 0.002 . 1 . . . A 15 PHE CA . 18447 1 138 . 1 1 14 14 PHE CB C 13 39.931 0.017 . 1 . . . A 15 PHE CB . 18447 1 139 . 1 1 14 14 PHE CD1 C 13 131.761 0.000 . 3 . . . A 15 PHE CD1 . 18447 1 140 . 1 1 14 14 PHE CE1 C 13 131.421 0.000 . 3 . . . A 15 PHE CE1 . 18447 1 141 . 1 1 14 14 PHE N N 15 121.447 0.000 . 1 . . . A 15 PHE N . 18447 1 142 . 1 1 15 15 LYS H H 1 8.431 0.006 . 1 . . . A 16 LYS H . 18447 1 143 . 1 1 15 15 LYS HA H 1 3.882 0.005 . 1 . . . A 16 LYS HA . 18447 1 144 . 1 1 15 15 LYS HB2 H 1 1.930 0.012 . 2 . . . A 16 LYS HB2 . 18447 1 145 . 1 1 15 15 LYS HB3 H 1 1.930 0.012 . 2 . . . A 16 LYS HB3 . 18447 1 146 . 1 1 15 15 LYS HG2 H 1 1.647 0.004 . 2 . . . A 16 LYS HG2 . 18447 1 147 . 1 1 15 15 LYS HG3 H 1 1.532 0.007 . 2 . . . A 16 LYS HG3 . 18447 1 148 . 1 1 15 15 LYS HD2 H 1 1.642 0.006 . 2 . . . A 16 LYS HD2 . 18447 1 149 . 1 1 15 15 LYS HD3 H 1 1.575 0.010 . 2 . . . A 16 LYS HD3 . 18447 1 150 . 1 1 15 15 LYS HE2 H 1 2.840 0.018 . 2 . . . A 16 LYS HE2 . 18447 1 151 . 1 1 15 15 LYS HE3 H 1 2.840 0.018 . 2 . . . A 16 LYS HE3 . 18447 1 152 . 1 1 15 15 LYS CA C 13 59.295 0.024 . 1 . . . A 16 LYS CA . 18447 1 153 . 1 1 15 15 LYS CB C 13 32.116 0.032 . 1 . . . A 16 LYS CB . 18447 1 154 . 1 1 15 15 LYS CG C 13 25.970 0.012 . 1 . . . A 16 LYS CG . 18447 1 155 . 1 1 15 15 LYS CD C 13 29.151 0.033 . 1 . . . A 16 LYS CD . 18447 1 156 . 1 1 15 15 LYS CE C 13 42.076 0.118 . 1 . . . A 16 LYS CE . 18447 1 157 . 1 1 15 15 LYS N N 15 121.170 0.000 . 1 . . . A 16 LYS N . 18447 1 158 . 1 1 16 16 GLN H H 1 7.317 0.003 . 1 . . . A 17 GLN H . 18447 1 159 . 1 1 16 16 GLN HA H 1 4.081 0.005 . 1 . . . A 17 GLN HA . 18447 1 160 . 1 1 16 16 GLN HB2 H 1 2.046 0.006 . 2 . . . A 17 GLN HB2 . 18447 1 161 . 1 1 16 16 GLN HB3 H 1 1.886 0.008 . 2 . . . A 17 GLN HB3 . 18447 1 162 . 1 1 16 16 GLN HG2 H 1 2.384 0.005 . 2 . . . A 17 GLN HG2 . 18447 1 163 . 1 1 16 16 GLN HG3 H 1 2.182 0.008 . 2 . . . A 17 GLN HG3 . 18447 1 164 . 1 1 16 16 GLN HE21 H 1 6.641 0.006 . 2 . . . A 17 GLN HE21 . 18447 1 165 . 1 1 16 16 GLN HE22 H 1 6.825 0.007 . 2 . . . A 17 GLN HE22 . 18447 1 166 . 1 1 16 16 GLN CA C 13 55.886 0.009 . 1 . . . A 17 GLN CA . 18447 1 167 . 1 1 16 16 GLN CB C 13 30.510 0.025 . 1 . . . A 17 GLN CB . 18447 1 168 . 1 1 16 16 GLN CG C 13 34.464 0.043 . 1 . . . A 17 GLN CG . 18447 1 169 . 1 1 16 16 GLN N N 15 115.846 0.000 . 1 . . . A 17 GLN N . 18447 1 170 . 1 1 16 16 GLN NE2 N 15 110.846 0.007 . 1 . . . A 17 GLN NE2 . 18447 1 171 . 1 1 17 17 GLY H H 1 7.483 0.006 . 1 . . . A 18 GLY H . 18447 1 172 . 1 1 17 17 GLY HA2 H 1 3.595 0.005 . 2 . . . A 18 GLY HA2 . 18447 1 173 . 1 1 17 17 GLY HA3 H 1 2.460 0.006 . 2 . . . A 18 GLY HA3 . 18447 1 174 . 1 1 17 17 GLY CA C 13 44.095 0.007 . 1 . . . A 18 GLY CA . 18447 1 175 . 1 1 17 17 GLY N N 15 107.434 0.000 . 1 . . . A 18 GLY N . 18447 1 176 . 1 1 18 18 LEU H H 1 7.490 0.006 . 1 . . . A 19 LEU H . 18447 1 177 . 1 1 18 18 LEU HA H 1 4.194 0.004 . 1 . . . A 19 LEU HA . 18447 1 178 . 1 1 18 18 LEU HB2 H 1 1.379 0.008 . 2 . . . A 19 LEU HB2 . 18447 1 179 . 1 1 18 18 LEU HB3 H 1 1.307 0.005 . 2 . . . A 19 LEU HB3 . 18447 1 180 . 1 1 18 18 LEU HG H 1 1.080 0.007 . 1 . . . A 19 LEU HG . 18447 1 181 . 1 1 18 18 LEU HD11 H 1 0.597 0.005 . 1 . . . A 19 LEU HD11 . 18447 1 182 . 1 1 18 18 LEU HD12 H 1 0.597 0.005 . 1 . . . A 19 LEU HD12 . 18447 1 183 . 1 1 18 18 LEU HD13 H 1 0.597 0.005 . 1 . . . A 19 LEU HD13 . 18447 1 184 . 1 1 18 18 LEU HD21 H 1 0.528 0.000 . 1 . . . A 19 LEU HD21 . 18447 1 185 . 1 1 18 18 LEU HD22 H 1 0.528 0.000 . 1 . . . A 19 LEU HD22 . 18447 1 186 . 1 1 18 18 LEU HD23 H 1 0.528 0.000 . 1 . . . A 19 LEU HD23 . 18447 1 187 . 1 1 18 18 LEU CA C 13 52.346 0.004 . 1 . . . A 19 LEU CA . 18447 1 188 . 1 1 18 18 LEU CB C 13 38.453 0.029 . 1 . . . A 19 LEU CB . 18447 1 189 . 1 1 18 18 LEU CG C 13 26.459 0.013 . 1 . . . A 19 LEU CG . 18447 1 190 . 1 1 18 18 LEU CD1 C 13 25.864 0.011 . 2 . . . A 19 LEU CD1 . 18447 1 191 . 1 1 18 18 LEU CD2 C 13 22.937 0.003 . 2 . . . A 19 LEU CD2 . 18447 1 192 . 1 1 18 18 LEU N N 15 124.457 0.000 . 1 . . . A 19 LEU N . 18447 1 193 . 1 1 19 19 TYR H H 1 6.500 0.004 . 1 . . . A 20 TYR H . 18447 1 194 . 1 1 19 19 TYR HA H 1 3.866 0.006 . 1 . . . A 20 TYR HA . 18447 1 195 . 1 1 19 19 TYR HB2 H 1 3.014 0.010 . 2 . . . A 20 TYR HB2 . 18447 1 196 . 1 1 19 19 TYR HB3 H 1 2.500 0.004 . 2 . . . A 20 TYR HB3 . 18447 1 197 . 1 1 19 19 TYR HD1 H 1 6.686 0.000 . 3 . . . A 20 TYR HD1 . 18447 1 198 . 1 1 19 19 TYR HD2 H 1 6.686 0.000 . 3 . . . A 20 TYR HD2 . 18447 1 199 . 1 1 19 19 TYR HE1 H 1 6.032 0.000 . 3 . . . A 20 TYR HE1 . 18447 1 200 . 1 1 19 19 TYR HE2 H 1 6.032 0.000 . 3 . . . A 20 TYR HE2 . 18447 1 201 . 1 1 19 19 TYR CA C 13 61.804 0.010 . 1 . . . A 20 TYR CA . 18447 1 202 . 1 1 19 19 TYR CB C 13 38.076 0.046 . 1 . . . A 20 TYR CB . 18447 1 203 . 1 1 19 19 TYR CD1 C 13 131.767 0.000 . 3 . . . A 20 TYR CD1 . 18447 1 204 . 1 1 19 19 TYR CE1 C 13 119.495 0.000 . 3 . . . A 20 TYR CE1 . 18447 1 205 . 1 1 19 19 TYR N N 15 117.878 0.000 . 1 . . . A 20 TYR N . 18447 1 206 . 1 1 20 20 ARG H H 1 8.875 0.007 . 1 . . . A 21 ARG H . 18447 1 207 . 1 1 20 20 ARG HA H 1 3.676 0.004 . 1 . . . A 21 ARG HA . 18447 1 208 . 1 1 20 20 ARG HB2 H 1 1.718 0.011 . 2 . . . A 21 ARG HB2 . 18447 1 209 . 1 1 20 20 ARG HB3 H 1 1.602 0.008 . 2 . . . A 21 ARG HB3 . 18447 1 210 . 1 1 20 20 ARG HG2 H 1 1.570 0.005 . 2 . . . A 21 ARG HG2 . 18447 1 211 . 1 1 20 20 ARG HG3 H 1 1.518 0.004 . 2 . . . A 21 ARG HG3 . 18447 1 212 . 1 1 20 20 ARG HD2 H 1 3.003 0.006 . 2 . . . A 21 ARG HD2 . 18447 1 213 . 1 1 20 20 ARG HD3 H 1 3.003 0.006 . 2 . . . A 21 ARG HD3 . 18447 1 214 . 1 1 20 20 ARG CA C 13 59.140 0.018 . 1 . . . A 21 ARG CA . 18447 1 215 . 1 1 20 20 ARG CB C 13 28.440 0.021 . 1 . . . A 21 ARG CB . 18447 1 216 . 1 1 20 20 ARG CG C 13 27.008 0.034 . 1 . . . A 21 ARG CG . 18447 1 217 . 1 1 20 20 ARG CD C 13 42.274 0.011 . 1 . . . A 21 ARG CD . 18447 1 218 . 1 1 20 20 ARG N N 15 119.843 0.000 . 1 . . . A 21 ARG N . 18447 1 219 . 1 1 21 21 GLU H H 1 9.214 0.007 . 1 . . . A 22 GLU H . 18447 1 220 . 1 1 21 21 GLU HA H 1 3.771 0.002 . 1 . . . A 22 GLU HA . 18447 1 221 . 1 1 21 21 GLU HB2 H 1 1.922 0.011 . 2 . . . A 22 GLU HB2 . 18447 1 222 . 1 1 21 21 GLU HB3 H 1 1.852 0.000 . 2 . . . A 22 GLU HB3 . 18447 1 223 . 1 1 21 21 GLU HG2 H 1 2.313 0.005 . 2 . . . A 22 GLU HG2 . 18447 1 224 . 1 1 21 21 GLU HG3 H 1 2.074 0.006 . 2 . . . A 22 GLU HG3 . 18447 1 225 . 1 1 21 21 GLU CA C 13 60.153 0.022 . 1 . . . A 22 GLU CA . 18447 1 226 . 1 1 21 21 GLU CB C 13 28.267 0.019 . 1 . . . A 22 GLU CB . 18447 1 227 . 1 1 21 21 GLU CG C 13 37.150 0.083 . 1 . . . A 22 GLU CG . 18447 1 228 . 1 1 21 21 GLU N N 15 121.817 0.000 . 1 . . . A 22 GLU N . 18447 1 229 . 1 1 22 22 ALA H H 1 8.171 0.006 . 1 . . . A 23 ALA H . 18447 1 230 . 1 1 22 22 ALA HA H 1 3.443 0.004 . 1 . . . A 23 ALA HA . 18447 1 231 . 1 1 22 22 ALA HB1 H 1 1.325 0.007 . 1 . . . A 23 ALA HB1 . 18447 1 232 . 1 1 22 22 ALA HB2 H 1 1.325 0.007 . 1 . . . A 23 ALA HB2 . 18447 1 233 . 1 1 22 22 ALA HB3 H 1 1.325 0.007 . 1 . . . A 23 ALA HB3 . 18447 1 234 . 1 1 22 22 ALA CA C 13 55.682 0.002 . 1 . . . A 23 ALA CA . 18447 1 235 . 1 1 22 22 ALA CB C 13 17.238 0.028 . 1 . . . A 23 ALA CB . 18447 1 236 . 1 1 22 22 ALA N N 15 122.960 0.000 . 1 . . . A 23 ALA N . 18447 1 237 . 1 1 23 23 VAL H H 1 8.143 0.006 . 1 . . . A 24 VAL H . 18447 1 238 . 1 1 23 23 VAL HA H 1 3.148 0.006 . 1 . . . A 24 VAL HA . 18447 1 239 . 1 1 23 23 VAL HB H 1 2.196 0.007 . 1 . . . A 24 VAL HB . 18447 1 240 . 1 1 23 23 VAL HG11 H 1 1.020 0.009 . 1 . . . A 24 VAL HG11 . 18447 1 241 . 1 1 23 23 VAL HG12 H 1 1.020 0.009 . 1 . . . A 24 VAL HG12 . 18447 1 242 . 1 1 23 23 VAL HG13 H 1 1.020 0.009 . 1 . . . A 24 VAL HG13 . 18447 1 243 . 1 1 23 23 VAL HG21 H 1 0.784 0.006 . 1 . . . A 24 VAL HG21 . 18447 1 244 . 1 1 23 23 VAL HG22 H 1 0.784 0.006 . 1 . . . A 24 VAL HG22 . 18447 1 245 . 1 1 23 23 VAL HG23 H 1 0.784 0.006 . 1 . . . A 24 VAL HG23 . 18447 1 246 . 1 1 23 23 VAL CA C 13 68.406 0.011 . 1 . . . A 24 VAL CA . 18447 1 247 . 1 1 23 23 VAL CB C 13 30.975 0.010 . 1 . . . A 24 VAL CB . 18447 1 248 . 1 1 23 23 VAL CG1 C 13 25.153 0.010 . 2 . . . A 24 VAL CG1 . 18447 1 249 . 1 1 23 23 VAL CG2 C 13 22.063 0.009 . 2 . . . A 24 VAL CG2 . 18447 1 250 . 1 1 23 23 VAL N N 15 117.042 0.000 . 1 . . . A 24 VAL N . 18447 1 251 . 1 1 24 24 HIS H H 1 7.249 0.008 . 1 . . . A 25 HIS H . 18447 1 252 . 1 1 24 24 HIS HA H 1 4.359 0.005 . 1 . . . A 25 HIS HA . 18447 1 253 . 1 1 24 24 HIS HB2 H 1 3.081 0.007 . 2 . . . A 25 HIS HB2 . 18447 1 254 . 1 1 24 24 HIS HB3 H 1 3.031 0.003 . 2 . . . A 25 HIS HB3 . 18447 1 255 . 1 1 24 24 HIS HD2 H 1 6.849 0.000 . 1 . . . A 25 HIS HD2 . 18447 1 256 . 1 1 24 24 HIS HE1 H 1 7.576 0.000 . 1 . . . A 25 HIS HE1 . 18447 1 257 . 1 1 24 24 HIS CA C 13 59.417 0.000 . 1 . . . A 25 HIS CA . 18447 1 258 . 1 1 24 24 HIS CB C 13 29.501 0.021 . 1 . . . A 25 HIS CB . 18447 1 259 . 1 1 24 24 HIS CD2 C 13 120.405 0.000 . 1 . . . A 25 HIS CD2 . 18447 1 260 . 1 1 24 24 HIS CE1 C 13 138.437 0.000 . 1 . . . A 25 HIS CE1 . 18447 1 261 . 1 1 24 24 HIS N N 15 116.786 0.000 . 1 . . . A 25 HIS N . 18447 1 262 . 1 1 25 25 CYS H H 1 7.046 0.005 . 1 . . . A 26 CYS H . 18447 1 263 . 1 1 25 25 CYS HA H 1 3.929 0.002 . 1 . . . A 26 CYS HA . 18447 1 264 . 1 1 25 25 CYS HB2 H 1 2.575 0.003 . 2 . . . A 26 CYS HB2 . 18447 1 265 . 1 1 25 25 CYS HB3 H 1 2.505 0.004 . 2 . . . A 26 CYS HB3 . 18447 1 266 . 1 1 25 25 CYS CA C 13 62.789 0.000 . 1 . . . A 26 CYS CA . 18447 1 267 . 1 1 25 25 CYS CB C 13 26.605 0.019 . 1 . . . A 26 CYS CB . 18447 1 268 . 1 1 25 25 CYS N N 15 117.223 0.000 . 1 . . . A 26 CYS N . 18447 1 269 . 1 1 26 26 TYR H H 1 8.552 0.007 . 1 . . . A 27 TYR H . 18447 1 270 . 1 1 26 26 TYR HA H 1 4.351 0.005 . 1 . . . A 27 TYR HA . 18447 1 271 . 1 1 26 26 TYR HB2 H 1 3.176 0.007 . 2 . . . A 27 TYR HB2 . 18447 1 272 . 1 1 26 26 TYR HB3 H 1 2.662 0.006 . 2 . . . A 27 TYR HB3 . 18447 1 273 . 1 1 26 26 TYR HD1 H 1 6.329 0.003 . 3 . . . A 27 TYR HD1 . 18447 1 274 . 1 1 26 26 TYR HD2 H 1 6.329 0.003 . 3 . . . A 27 TYR HD2 . 18447 1 275 . 1 1 26 26 TYR HE1 H 1 6.715 0.006 . 3 . . . A 27 TYR HE1 . 18447 1 276 . 1 1 26 26 TYR HE2 H 1 6.715 0.006 . 3 . . . A 27 TYR HE2 . 18447 1 277 . 1 1 26 26 TYR CA C 13 58.019 0.001 . 1 . . . A 27 TYR CA . 18447 1 278 . 1 1 26 26 TYR CB C 13 35.978 0.015 . 1 . . . A 27 TYR CB . 18447 1 279 . 1 1 26 26 TYR CD2 C 13 134.609 0.000 . 3 . . . A 27 TYR CD2 . 18447 1 280 . 1 1 26 26 TYR N N 15 121.230 0.000 . 1 . . . A 27 TYR N . 18447 1 281 . 1 1 27 27 ASP H H 1 9.173 0.002 . 1 . . . A 28 ASP H . 18447 1 282 . 1 1 27 27 ASP HA H 1 4.362 0.004 . 1 . . . A 28 ASP HA . 18447 1 283 . 1 1 27 27 ASP HB2 H 1 2.681 0.005 . 2 . . . A 28 ASP HB2 . 18447 1 284 . 1 1 27 27 ASP HB3 H 1 2.327 0.006 . 2 . . . A 28 ASP HB3 . 18447 1 285 . 1 1 27 27 ASP CA C 13 57.716 0.006 . 1 . . . A 28 ASP CA . 18447 1 286 . 1 1 27 27 ASP CB C 13 40.018 0.014 . 1 . . . A 28 ASP CB . 18447 1 287 . 1 1 27 27 ASP N N 15 120.718 0.000 . 1 . . . A 28 ASP N . 18447 1 288 . 1 1 28 28 GLN H H 1 7.286 0.008 . 1 . . . A 29 GLN H . 18447 1 289 . 1 1 28 28 GLN HA H 1 3.899 0.004 . 1 . . . A 29 GLN HA . 18447 1 290 . 1 1 28 28 GLN HB2 H 1 2.017 0.005 . 2 . . . A 29 GLN HB2 . 18447 1 291 . 1 1 28 28 GLN HB3 H 1 2.017 0.005 . 2 . . . A 29 GLN HB3 . 18447 1 292 . 1 1 28 28 GLN HG2 H 1 2.402 0.002 . 2 . . . A 29 GLN HG2 . 18447 1 293 . 1 1 28 28 GLN HG3 H 1 2.200 0.004 . 2 . . . A 29 GLN HG3 . 18447 1 294 . 1 1 28 28 GLN HE21 H 1 6.809 0.000 . 2 . . . A 29 GLN HE21 . 18447 1 295 . 1 1 28 28 GLN HE22 H 1 6.831 0.000 . 2 . . . A 29 GLN HE22 . 18447 1 296 . 1 1 28 28 GLN CA C 13 57.478 0.044 . 1 . . . A 29 GLN CA . 18447 1 297 . 1 1 28 28 GLN CB C 13 27.234 0.034 . 1 . . . A 29 GLN CB . 18447 1 298 . 1 1 28 28 GLN CG C 13 33.226 0.092 . 1 . . . A 29 GLN CG . 18447 1 299 . 1 1 28 28 GLN N N 15 117.501 0.000 . 1 . . . A 29 GLN N . 18447 1 300 . 1 1 28 28 GLN NE2 N 15 113.738 0.005 . 1 . . . A 29 GLN NE2 . 18447 1 301 . 1 1 29 29 LEU H H 1 7.380 0.007 . 1 . . . A 30 LEU H . 18447 1 302 . 1 1 29 29 LEU HA H 1 3.884 0.009 . 1 . . . A 30 LEU HA . 18447 1 303 . 1 1 29 29 LEU HB2 H 1 1.995 0.011 . 2 . . . A 30 LEU HB2 . 18447 1 304 . 1 1 29 29 LEU HB3 H 1 1.285 0.008 . 2 . . . A 30 LEU HB3 . 18447 1 305 . 1 1 29 29 LEU HG H 1 1.705 0.010 . 1 . . . A 30 LEU HG . 18447 1 306 . 1 1 29 29 LEU HD11 H 1 0.463 0.006 . 1 . . . A 30 LEU HD11 . 18447 1 307 . 1 1 29 29 LEU HD12 H 1 0.463 0.006 . 1 . . . A 30 LEU HD12 . 18447 1 308 . 1 1 29 29 LEU HD13 H 1 0.463 0.006 . 1 . . . A 30 LEU HD13 . 18447 1 309 . 1 1 29 29 LEU HD21 H 1 -0.191 0.006 . 1 . . . A 30 LEU HD21 . 18447 1 310 . 1 1 29 29 LEU HD22 H 1 -0.191 0.006 . 1 . . . A 30 LEU HD22 . 18447 1 311 . 1 1 29 29 LEU HD23 H 1 -0.191 0.006 . 1 . . . A 30 LEU HD23 . 18447 1 312 . 1 1 29 29 LEU CA C 13 57.269 0.062 . 1 . . . A 30 LEU CA . 18447 1 313 . 1 1 29 29 LEU CB C 13 39.341 0.032 . 1 . . . A 30 LEU CB . 18447 1 314 . 1 1 29 29 LEU CG C 13 25.816 0.027 . 1 . . . A 30 LEU CG . 18447 1 315 . 1 1 29 29 LEU CD1 C 13 25.741 0.020 . 2 . . . A 30 LEU CD1 . 18447 1 316 . 1 1 29 29 LEU CD2 C 13 20.796 0.019 . 2 . . . A 30 LEU CD2 . 18447 1 317 . 1 1 29 29 LEU N N 15 119.594 0.000 . 1 . . . A 30 LEU N . 18447 1 318 . 1 1 30 30 ILE H H 1 7.406 0.007 . 1 . . . A 31 ILE H . 18447 1 319 . 1 1 30 30 ILE HA H 1 3.145 0.007 . 1 . . . A 31 ILE HA . 18447 1 320 . 1 1 30 30 ILE HB H 1 1.433 0.008 . 1 . . . A 31 ILE HB . 18447 1 321 . 1 1 30 30 ILE HG12 H 1 -0.533 0.007 . 2 . . . A 31 ILE HG12 . 18447 1 322 . 1 1 30 30 ILE HG13 H 1 1.054 0.006 . 2 . . . A 31 ILE HG13 . 18447 1 323 . 1 1 30 30 ILE HG21 H 1 0.488 0.009 . 1 . . . A 31 ILE HG21 . 18447 1 324 . 1 1 30 30 ILE HG22 H 1 0.488 0.009 . 1 . . . A 31 ILE HG22 . 18447 1 325 . 1 1 30 30 ILE HG23 H 1 0.488 0.009 . 1 . . . A 31 ILE HG23 . 18447 1 326 . 1 1 30 30 ILE HD11 H 1 0.319 0.008 . 1 . . . A 31 ILE HD11 . 18447 1 327 . 1 1 30 30 ILE HD12 H 1 0.319 0.008 . 1 . . . A 31 ILE HD12 . 18447 1 328 . 1 1 30 30 ILE HD13 H 1 0.319 0.008 . 1 . . . A 31 ILE HD13 . 18447 1 329 . 1 1 30 30 ILE CA C 13 64.731 0.003 . 1 . . . A 31 ILE CA . 18447 1 330 . 1 1 30 30 ILE CB C 13 38.685 0.025 . 1 . . . A 31 ILE CB . 18447 1 331 . 1 1 30 30 ILE CG1 C 13 28.998 0.027 . 1 . . . A 31 ILE CG1 . 18447 1 332 . 1 1 30 30 ILE CG2 C 13 16.756 0.033 . 1 . . . A 31 ILE CG2 . 18447 1 333 . 1 1 30 30 ILE CD1 C 13 15.518 0.010 . 1 . . . A 31 ILE CD1 . 18447 1 334 . 1 1 30 30 ILE N N 15 121.255 0.000 . 1 . . . A 31 ILE N . 18447 1 335 . 1 1 31 31 THR H H 1 7.539 0.012 . 1 . . . A 32 THR H . 18447 1 336 . 1 1 31 31 THR HA H 1 3.669 0.004 . 1 . . . A 32 THR HA . 18447 1 337 . 1 1 31 31 THR HB H 1 3.910 0.003 . 1 . . . A 32 THR HB . 18447 1 338 . 1 1 31 31 THR HG21 H 1 1.049 0.004 . 1 . . . A 32 THR HG21 . 18447 1 339 . 1 1 31 31 THR HG22 H 1 1.049 0.004 . 1 . . . A 32 THR HG22 . 18447 1 340 . 1 1 31 31 THR HG23 H 1 1.049 0.004 . 1 . . . A 32 THR HG23 . 18447 1 341 . 1 1 31 31 THR CA C 13 65.693 0.006 . 1 . . . A 32 THR CA . 18447 1 342 . 1 1 31 31 THR CB C 13 68.783 0.000 . 1 . . . A 32 THR CB . 18447 1 343 . 1 1 31 31 THR CG2 C 13 21.766 0.010 . 1 . . . A 32 THR CG2 . 18447 1 344 . 1 1 31 31 THR N N 15 112.129 0.000 . 1 . . . A 32 THR N . 18447 1 345 . 1 1 32 32 ALA H H 1 7.547 0.006 . 1 . . . A 33 ALA H . 18447 1 346 . 1 1 32 32 ALA HA H 1 4.068 0.003 . 1 . . . A 33 ALA HA . 18447 1 347 . 1 1 32 32 ALA HB1 H 1 1.588 0.011 . 1 . . . A 33 ALA HB1 . 18447 1 348 . 1 1 32 32 ALA HB2 H 1 1.588 0.011 . 1 . . . A 33 ALA HB2 . 18447 1 349 . 1 1 32 32 ALA HB3 H 1 1.588 0.011 . 1 . . . A 33 ALA HB3 . 18447 1 350 . 1 1 32 32 ALA CA C 13 54.689 0.006 . 1 . . . A 33 ALA CA . 18447 1 351 . 1 1 32 32 ALA CB C 13 19.954 0.039 . 1 . . . A 33 ALA CB . 18447 1 352 . 1 1 32 32 ALA N N 15 121.225 0.000 . 1 . . . A 33 ALA N . 18447 1 353 . 1 1 33 33 GLN H H 1 7.944 0.004 . 1 . . . A 34 GLN H . 18447 1 354 . 1 1 33 33 GLN HA H 1 4.629 0.014 . 1 . . . A 34 GLN HA . 18447 1 355 . 1 1 33 33 GLN HB2 H 1 1.860 0.013 . 2 . . . A 34 GLN HB2 . 18447 1 356 . 1 1 33 33 GLN HB3 H 1 1.746 0.002 . 2 . . . A 34 GLN HB3 . 18447 1 357 . 1 1 33 33 GLN HG2 H 1 2.056 0.003 . 2 . . . A 34 GLN HG2 . 18447 1 358 . 1 1 33 33 GLN HG3 H 1 1.893 0.006 . 2 . . . A 34 GLN HG3 . 18447 1 359 . 1 1 33 33 GLN HE21 H 1 6.047 0.001 . 2 . . . A 34 GLN HE21 . 18447 1 360 . 1 1 33 33 GLN HE22 H 1 6.883 0.007 . 2 . . . A 34 GLN HE22 . 18447 1 361 . 1 1 33 33 GLN CA C 13 53.211 0.000 . 1 . . . A 34 GLN CA . 18447 1 362 . 1 1 33 33 GLN CB C 13 29.874 0.012 . 1 . . . A 34 GLN CB . 18447 1 363 . 1 1 33 33 GLN CG C 13 32.994 0.019 . 1 . . . A 34 GLN CG . 18447 1 364 . 1 1 33 33 GLN N N 15 114.781 0.000 . 1 . . . A 34 GLN N . 18447 1 365 . 1 1 33 33 GLN NE2 N 15 111.040 0.001 . 1 . . . A 34 GLN NE2 . 18447 1 366 . 1 1 34 34 PRO HA H 1 4.618 0.015 . 1 . . . A 35 PRO HA . 18447 1 367 . 1 1 34 34 PRO HB2 H 1 2.309 0.009 . 2 . . . A 35 PRO HB2 . 18447 1 368 . 1 1 34 34 PRO HB3 H 1 1.761 0.007 . 2 . . . A 35 PRO HB3 . 18447 1 369 . 1 1 34 34 PRO HG2 H 1 1.935 0.006 . 2 . . . A 35 PRO HG2 . 18447 1 370 . 1 1 34 34 PRO HG3 H 1 1.704 0.006 . 2 . . . A 35 PRO HG3 . 18447 1 371 . 1 1 34 34 PRO HD2 H 1 3.398 0.004 . 2 . . . A 35 PRO HD2 . 18447 1 372 . 1 1 34 34 PRO HD3 H 1 3.256 0.012 . 2 . . . A 35 PRO HD3 . 18447 1 373 . 1 1 34 34 PRO CA C 13 64.148 0.055 . 1 . . . A 35 PRO CA . 18447 1 374 . 1 1 34 34 PRO CB C 13 31.951 0.020 . 1 . . . A 35 PRO CB . 18447 1 375 . 1 1 34 34 PRO CG C 13 26.896 0.013 . 1 . . . A 35 PRO CG . 18447 1 376 . 1 1 34 34 PRO CD C 13 49.807 0.019 . 1 . . . A 35 PRO CD . 18447 1 377 . 1 1 35 35 GLN H H 1 8.180 0.007 . 1 . . . A 36 GLN H . 18447 1 378 . 1 1 35 35 GLN HA H 1 3.101 0.005 . 1 . . . A 36 GLN HA . 18447 1 379 . 1 1 35 35 GLN HB2 H 1 1.799 0.008 . 2 . . . A 36 GLN HB2 . 18447 1 380 . 1 1 35 35 GLN HB3 H 1 1.545 0.006 . 2 . . . A 36 GLN HB3 . 18447 1 381 . 1 1 35 35 GLN HG2 H 1 1.871 0.004 . 2 . . . A 36 GLN HG2 . 18447 1 382 . 1 1 35 35 GLN HG3 H 1 1.871 0.004 . 2 . . . A 36 GLN HG3 . 18447 1 383 . 1 1 35 35 GLN HE21 H 1 6.784 0.000 . 2 . . . A 36 GLN HE21 . 18447 1 384 . 1 1 35 35 GLN HE22 H 1 7.305 0.002 . 2 . . . A 36 GLN HE22 . 18447 1 385 . 1 1 35 35 GLN CA C 13 53.939 0.003 . 1 . . . A 36 GLN CA . 18447 1 386 . 1 1 35 35 GLN CB C 13 26.956 0.042 . 1 . . . A 36 GLN CB . 18447 1 387 . 1 1 35 35 GLN CG C 13 34.029 0.012 . 1 . . . A 36 GLN CG . 18447 1 388 . 1 1 35 35 GLN N N 15 114.285 0.000 . 1 . . . A 36 GLN N . 18447 1 389 . 1 1 35 35 GLN NE2 N 15 111.801 0.001 . 1 . . . A 36 GLN NE2 . 18447 1 390 . 1 1 36 36 ASN H H 1 7.631 0.004 . 1 . . . A 37 ASN H . 18447 1 391 . 1 1 36 36 ASN HA H 1 4.933 0.006 . 1 . . . A 37 ASN HA . 18447 1 392 . 1 1 36 36 ASN HB2 H 1 3.445 0.010 . 2 . . . A 37 ASN HB2 . 18447 1 393 . 1 1 36 36 ASN HB3 H 1 2.564 0.008 . 2 . . . A 37 ASN HB3 . 18447 1 394 . 1 1 36 36 ASN HD21 H 1 6.899 0.011 . 2 . . . A 37 ASN HD21 . 18447 1 395 . 1 1 36 36 ASN HD22 H 1 7.103 0.010 . 2 . . . A 37 ASN HD22 . 18447 1 396 . 1 1 36 36 ASN CA C 13 48.964 0.038 . 1 . . . A 37 ASN CA . 18447 1 397 . 1 1 36 36 ASN CB C 13 39.589 0.046 . 1 . . . A 37 ASN CB . 18447 1 398 . 1 1 36 36 ASN N N 15 120.212 0.000 . 1 . . . A 37 ASN N . 18447 1 399 . 1 1 36 36 ASN ND2 N 15 112.455 0.011 . 1 . . . A 37 ASN ND2 . 18447 1 400 . 1 1 37 37 PRO HA H 1 4.401 0.009 . 1 . . . A 38 PRO HA . 18447 1 401 . 1 1 37 37 PRO HB2 H 1 2.109 0.011 . 2 . . . A 38 PRO HB2 . 18447 1 402 . 1 1 37 37 PRO HB3 H 1 1.552 0.004 . 2 . . . A 38 PRO HB3 . 18447 1 403 . 1 1 37 37 PRO HG2 H 1 1.528 0.006 . 2 . . . A 38 PRO HG2 . 18447 1 404 . 1 1 37 37 PRO HG3 H 1 1.265 0.008 . 2 . . . A 38 PRO HG3 . 18447 1 405 . 1 1 37 37 PRO HD2 H 1 3.759 0.006 . 2 . . . A 38 PRO HD2 . 18447 1 406 . 1 1 37 37 PRO HD3 H 1 3.629 0.007 . 2 . . . A 38 PRO HD3 . 18447 1 407 . 1 1 37 37 PRO CA C 13 64.480 0.031 . 1 . . . A 38 PRO CA . 18447 1 408 . 1 1 37 37 PRO CB C 13 32.688 0.028 . 1 . . . A 38 PRO CB . 18447 1 409 . 1 1 37 37 PRO CG C 13 26.612 0.039 . 1 . . . A 38 PRO CG . 18447 1 410 . 1 1 37 37 PRO CD C 13 50.438 0.031 . 1 . . . A 38 PRO CD . 18447 1 411 . 1 1 38 38 VAL H H 1 8.078 0.008 . 1 . . . A 39 VAL H . 18447 1 412 . 1 1 38 38 VAL HA H 1 3.442 0.004 . 1 . . . A 39 VAL HA . 18447 1 413 . 1 1 38 38 VAL HB H 1 1.842 0.006 . 1 . . . A 39 VAL HB . 18447 1 414 . 1 1 38 38 VAL HG11 H 1 0.840 0.013 . 1 . . . A 39 VAL HG11 . 18447 1 415 . 1 1 38 38 VAL HG12 H 1 0.840 0.013 . 1 . . . A 39 VAL HG12 . 18447 1 416 . 1 1 38 38 VAL HG13 H 1 0.840 0.013 . 1 . . . A 39 VAL HG13 . 18447 1 417 . 1 1 38 38 VAL HG21 H 1 0.676 0.010 . 1 . . . A 39 VAL HG21 . 18447 1 418 . 1 1 38 38 VAL HG22 H 1 0.676 0.010 . 1 . . . A 39 VAL HG22 . 18447 1 419 . 1 1 38 38 VAL HG23 H 1 0.676 0.010 . 1 . . . A 39 VAL HG23 . 18447 1 420 . 1 1 38 38 VAL CA C 13 66.468 0.007 . 1 . . . A 39 VAL CA . 18447 1 421 . 1 1 38 38 VAL CB C 13 31.537 0.008 . 1 . . . A 39 VAL CB . 18447 1 422 . 1 1 38 38 VAL CG1 C 13 23.443 0.043 . 2 . . . A 39 VAL CG1 . 18447 1 423 . 1 1 38 38 VAL CG2 C 13 20.427 0.027 . 2 . . . A 39 VAL CG2 . 18447 1 424 . 1 1 38 38 VAL N N 15 119.095 0.000 . 1 . . . A 39 VAL N . 18447 1 425 . 1 1 39 39 GLY H H 1 7.075 0.005 . 1 . . . A 40 GLY H . 18447 1 426 . 1 1 39 39 GLY HA2 H 1 3.750 0.002 . 2 . . . A 40 GLY HA2 . 18447 1 427 . 1 1 39 39 GLY HA3 H 1 3.124 0.004 . 2 . . . A 40 GLY HA3 . 18447 1 428 . 1 1 39 39 GLY CA C 13 48.372 0.022 . 1 . . . A 40 GLY CA . 18447 1 429 . 1 1 39 39 GLY N N 15 105.924 0.000 . 1 . . . A 40 GLY N . 18447 1 430 . 1 1 40 40 TYR H H 1 6.215 0.010 . 1 . . . A 41 TYR H . 18447 1 431 . 1 1 40 40 TYR HA H 1 3.729 0.004 . 1 . . . A 41 TYR HA . 18447 1 432 . 1 1 40 40 TYR HB2 H 1 3.297 0.010 . 2 . . . A 41 TYR HB2 . 18447 1 433 . 1 1 40 40 TYR HB3 H 1 2.574 0.013 . 2 . . . A 41 TYR HB3 . 18447 1 434 . 1 1 40 40 TYR HD1 H 1 7.307 0.000 . 3 . . . A 41 TYR HD1 . 18447 1 435 . 1 1 40 40 TYR HD2 H 1 7.307 0.000 . 3 . . . A 41 TYR HD2 . 18447 1 436 . 1 1 40 40 TYR CA C 13 61.065 0.034 . 1 . . . A 41 TYR CA . 18447 1 437 . 1 1 40 40 TYR CB C 13 38.035 0.032 . 1 . . . A 41 TYR CB . 18447 1 438 . 1 1 40 40 TYR CD2 C 13 133.246 0.000 . 3 . . . A 41 TYR CD2 . 18447 1 439 . 1 1 40 40 TYR N N 15 116.925 0.000 . 1 . . . A 41 TYR N . 18447 1 440 . 1 1 41 41 SER H H 1 7.934 0.005 . 1 . . . A 42 SER H . 18447 1 441 . 1 1 41 41 SER HA H 1 3.718 0.001 . 1 . . . A 42 SER HA . 18447 1 442 . 1 1 41 41 SER HB2 H 1 3.753 0.000 . 2 . . . A 42 SER HB2 . 18447 1 443 . 1 1 41 41 SER HB3 H 1 3.354 0.000 . 2 . . . A 42 SER HB3 . 18447 1 444 . 1 1 41 41 SER CA C 13 61.572 0.022 . 1 . . . A 42 SER CA . 18447 1 445 . 1 1 41 41 SER CB C 13 63.567 0.022 . 1 . . . A 42 SER CB . 18447 1 446 . 1 1 41 41 SER N N 15 111.242 0.000 . 1 . . . A 42 SER N . 18447 1 447 . 1 1 42 42 ASN H H 1 8.265 0.008 . 1 . . . A 43 ASN H . 18447 1 448 . 1 1 42 42 ASN HA H 1 3.690 0.017 . 1 . . . A 43 ASN HA . 18447 1 449 . 1 1 42 42 ASN HB2 H 1 1.529 0.005 . 2 . . . A 43 ASN HB2 . 18447 1 450 . 1 1 42 42 ASN HB3 H 1 0.842 0.005 . 2 . . . A 43 ASN HB3 . 18447 1 451 . 1 1 42 42 ASN CA C 13 55.148 0.058 . 1 . . . A 43 ASN CA . 18447 1 452 . 1 1 42 42 ASN CB C 13 32.893 0.036 . 1 . . . A 43 ASN CB . 18447 1 453 . 1 1 42 42 ASN N N 15 120.025 0.000 . 1 . . . A 43 ASN N . 18447 1 454 . 1 1 43 43 LYS H H 1 7.716 0.006 . 1 . . . A 44 LYS H . 18447 1 455 . 1 1 43 43 LYS HA H 1 3.731 0.005 . 1 . . . A 44 LYS HA . 18447 1 456 . 1 1 43 43 LYS HB2 H 1 1.742 0.011 . 2 . . . A 44 LYS HB2 . 18447 1 457 . 1 1 43 43 LYS HB3 H 1 1.742 0.011 . 2 . . . A 44 LYS HB3 . 18447 1 458 . 1 1 43 43 LYS CA C 13 61.081 0.008 . 1 . . . A 44 LYS CA . 18447 1 459 . 1 1 43 43 LYS CB C 13 33.297 0.003 . 1 . . . A 44 LYS CB . 18447 1 460 . 1 1 43 43 LYS N N 15 118.998 0.022 . 1 . . . A 44 LYS N . 18447 1 461 . 1 1 44 44 ALA H H 1 8.538 0.004 . 1 . . . A 45 ALA H . 18447 1 462 . 1 1 44 44 ALA HA H 1 3.736 0.008 . 1 . . . A 45 ALA HA . 18447 1 463 . 1 1 44 44 ALA HB1 H 1 1.381 0.009 . 1 . . . A 45 ALA HB1 . 18447 1 464 . 1 1 44 44 ALA HB2 H 1 1.381 0.009 . 1 . . . A 45 ALA HB2 . 18447 1 465 . 1 1 44 44 ALA HB3 H 1 1.381 0.009 . 1 . . . A 45 ALA HB3 . 18447 1 466 . 1 1 44 44 ALA CA C 13 56.079 0.023 . 1 . . . A 45 ALA CA . 18447 1 467 . 1 1 44 44 ALA CB C 13 19.699 0.009 . 1 . . . A 45 ALA CB . 18447 1 468 . 1 1 44 44 ALA N N 15 118.334 0.000 . 1 . . . A 45 ALA N . 18447 1 469 . 1 1 45 45 MET H H 1 7.221 0.000 . 1 . . . A 46 MET H . 18447 1 470 . 1 1 45 45 MET HE1 H 1 2.137 0.003 . 1 . . . A 46 MET HE1 . 18447 1 471 . 1 1 45 45 MET HE2 H 1 2.137 0.003 . 1 . . . A 46 MET HE2 . 18447 1 472 . 1 1 45 45 MET HE3 H 1 2.137 0.003 . 1 . . . A 46 MET HE3 . 18447 1 473 . 1 1 45 45 MET CA C 13 56.285 0.000 . 1 . . . A 46 MET CA . 18447 1 474 . 1 1 45 45 MET CE C 13 20.399 0.000 . 1 . . . A 46 MET CE . 18447 1 475 . 1 1 45 45 MET N N 15 114.996 0.000 . 1 . . . A 46 MET N . 18447 1 476 . 1 1 46 46 ALA H H 1 7.778 0.003 . 1 . . . A 47 ALA H . 18447 1 477 . 1 1 46 46 ALA HA H 1 3.935 0.007 . 1 . . . A 47 ALA HA . 18447 1 478 . 1 1 46 46 ALA HB1 H 1 1.695 0.008 . 1 . . . A 47 ALA HB1 . 18447 1 479 . 1 1 46 46 ALA HB2 H 1 1.695 0.008 . 1 . . . A 47 ALA HB2 . 18447 1 480 . 1 1 46 46 ALA HB3 H 1 1.695 0.008 . 1 . . . A 47 ALA HB3 . 18447 1 481 . 1 1 46 46 ALA CA C 13 55.777 0.003 . 1 . . . A 47 ALA CA . 18447 1 482 . 1 1 46 46 ALA CB C 13 18.704 0.012 . 1 . . . A 47 ALA CB . 18447 1 483 . 1 1 46 46 ALA N N 15 120.637 0.000 . 1 . . . A 47 ALA N . 18447 1 484 . 1 1 47 47 LEU H H 1 8.459 0.008 . 1 . . . A 48 LEU H . 18447 1 485 . 1 1 47 47 LEU HA H 1 3.777 0.016 . 1 . . . A 48 LEU HA . 18447 1 486 . 1 1 47 47 LEU HB2 H 1 1.645 0.005 . 2 . . . A 48 LEU HB2 . 18447 1 487 . 1 1 47 47 LEU HB3 H 1 1.492 0.009 . 2 . . . A 48 LEU HB3 . 18447 1 488 . 1 1 47 47 LEU HG H 1 1.714 0.006 . 1 . . . A 48 LEU HG . 18447 1 489 . 1 1 47 47 LEU HD11 H 1 0.563 0.022 . 1 . . . A 48 LEU HD11 . 18447 1 490 . 1 1 47 47 LEU HD12 H 1 0.563 0.022 . 1 . . . A 48 LEU HD12 . 18447 1 491 . 1 1 47 47 LEU HD13 H 1 0.563 0.022 . 1 . . . A 48 LEU HD13 . 18447 1 492 . 1 1 47 47 LEU HD21 H 1 0.734 0.005 . 1 . . . A 48 LEU HD21 . 18447 1 493 . 1 1 47 47 LEU HD22 H 1 0.734 0.005 . 1 . . . A 48 LEU HD22 . 18447 1 494 . 1 1 47 47 LEU HD23 H 1 0.734 0.005 . 1 . . . A 48 LEU HD23 . 18447 1 495 . 1 1 47 47 LEU CA C 13 57.585 0.012 . 1 . . . A 48 LEU CA . 18447 1 496 . 1 1 47 47 LEU CB C 13 43.754 0.054 . 1 . . . A 48 LEU CB . 18447 1 497 . 1 1 47 47 LEU CG C 13 26.132 0.045 . 1 . . . A 48 LEU CG . 18447 1 498 . 1 1 47 47 LEU CD1 C 13 27.336 0.046 . 2 . . . A 48 LEU CD1 . 18447 1 499 . 1 1 47 47 LEU CD2 C 13 21.751 0.004 . 2 . . . A 48 LEU CD2 . 18447 1 500 . 1 1 47 47 LEU N N 15 115.957 0.000 . 1 . . . A 48 LEU N . 18447 1 501 . 1 1 48 48 ILE H H 1 8.192 0.011 . 1 . . . A 49 ILE H . 18447 1 502 . 1 1 48 48 ILE HA H 1 3.093 0.007 . 1 . . . A 49 ILE HA . 18447 1 503 . 1 1 48 48 ILE HB H 1 1.990 0.006 . 1 . . . A 49 ILE HB . 18447 1 504 . 1 1 48 48 ILE HG12 H 1 1.783 0.009 . 2 . . . A 49 ILE HG12 . 18447 1 505 . 1 1 48 48 ILE HG13 H 1 0.679 0.009 . 2 . . . A 49 ILE HG13 . 18447 1 506 . 1 1 48 48 ILE HG21 H 1 0.816 0.005 . 1 . . . A 49 ILE HG21 . 18447 1 507 . 1 1 48 48 ILE HG22 H 1 0.816 0.005 . 1 . . . A 49 ILE HG22 . 18447 1 508 . 1 1 48 48 ILE HG23 H 1 0.816 0.005 . 1 . . . A 49 ILE HG23 . 18447 1 509 . 1 1 48 48 ILE HD11 H 1 0.855 0.005 . 1 . . . A 49 ILE HD11 . 18447 1 510 . 1 1 48 48 ILE HD12 H 1 0.855 0.005 . 1 . . . A 49 ILE HD12 . 18447 1 511 . 1 1 48 48 ILE HD13 H 1 0.855 0.005 . 1 . . . A 49 ILE HD13 . 18447 1 512 . 1 1 48 48 ILE CA C 13 66.400 0.008 . 1 . . . A 49 ILE CA . 18447 1 513 . 1 1 48 48 ILE CB C 13 37.584 0.053 . 1 . . . A 49 ILE CB . 18447 1 514 . 1 1 48 48 ILE CG1 C 13 31.549 0.094 . 1 . . . A 49 ILE CG1 . 18447 1 515 . 1 1 48 48 ILE CG2 C 13 17.571 0.050 . 1 . . . A 49 ILE CG2 . 18447 1 516 . 1 1 48 48 ILE CD1 C 13 13.992 0.012 . 1 . . . A 49 ILE CD1 . 18447 1 517 . 1 1 48 48 ILE N N 15 121.691 0.000 . 1 . . . A 49 ILE N . 18447 1 518 . 1 1 49 49 LYS H H 1 7.436 0.009 . 1 . . . A 50 LYS H . 18447 1 519 . 1 1 49 49 LYS HA H 1 3.654 0.006 . 1 . . . A 50 LYS HA . 18447 1 520 . 1 1 49 49 LYS HB2 H 1 1.036 0.008 . 2 . . . A 50 LYS HB2 . 18447 1 521 . 1 1 49 49 LYS HB3 H 1 0.421 0.006 . 2 . . . A 50 LYS HB3 . 18447 1 522 . 1 1 49 49 LYS HG2 H 1 1.364 0.007 . 2 . . . A 50 LYS HG2 . 18447 1 523 . 1 1 49 49 LYS HG3 H 1 0.702 0.007 . 2 . . . A 50 LYS HG3 . 18447 1 524 . 1 1 49 49 LYS HD2 H 1 1.444 0.005 . 2 . . . A 50 LYS HD2 . 18447 1 525 . 1 1 49 49 LYS HD3 H 1 1.186 0.006 . 2 . . . A 50 LYS HD3 . 18447 1 526 . 1 1 49 49 LYS HE2 H 1 2.762 0.006 . 2 . . . A 50 LYS HE2 . 18447 1 527 . 1 1 49 49 LYS HE3 H 1 2.622 0.007 . 2 . . . A 50 LYS HE3 . 18447 1 528 . 1 1 49 49 LYS CA C 13 56.773 0.018 . 1 . . . A 50 LYS CA . 18447 1 529 . 1 1 49 49 LYS CB C 13 28.858 0.032 . 1 . . . A 50 LYS CB . 18447 1 530 . 1 1 49 49 LYS CG C 13 24.333 0.037 . 1 . . . A 50 LYS CG . 18447 1 531 . 1 1 49 49 LYS CD C 13 27.072 0.062 . 1 . . . A 50 LYS CD . 18447 1 532 . 1 1 49 49 LYS CE C 13 41.989 0.033 . 1 . . . A 50 LYS CE . 18447 1 533 . 1 1 49 49 LYS N N 15 119.698 0.000 . 1 . . . A 50 LYS N . 18447 1 534 . 1 1 50 50 LEU H H 1 6.980 0.007 . 1 . . . A 51 LEU H . 18447 1 535 . 1 1 50 50 LEU HA H 1 4.054 0.004 . 1 . . . A 51 LEU HA . 18447 1 536 . 1 1 50 50 LEU HB2 H 1 1.649 0.004 . 2 . . . A 51 LEU HB2 . 18447 1 537 . 1 1 50 50 LEU HB3 H 1 1.496 0.007 . 2 . . . A 51 LEU HB3 . 18447 1 538 . 1 1 50 50 LEU HG H 1 1.484 0.007 . 1 . . . A 51 LEU HG . 18447 1 539 . 1 1 50 50 LEU HD11 H 1 0.535 0.006 . 1 . . . A 51 LEU HD11 . 18447 1 540 . 1 1 50 50 LEU HD12 H 1 0.535 0.006 . 1 . . . A 51 LEU HD12 . 18447 1 541 . 1 1 50 50 LEU HD13 H 1 0.535 0.006 . 1 . . . A 51 LEU HD13 . 18447 1 542 . 1 1 50 50 LEU HD21 H 1 0.923 0.006 . 1 . . . A 51 LEU HD21 . 18447 1 543 . 1 1 50 50 LEU HD22 H 1 0.923 0.006 . 1 . . . A 51 LEU HD22 . 18447 1 544 . 1 1 50 50 LEU HD23 H 1 0.923 0.006 . 1 . . . A 51 LEU HD23 . 18447 1 545 . 1 1 50 50 LEU CA C 13 54.842 0.022 . 1 . . . A 51 LEU CA . 18447 1 546 . 1 1 50 50 LEU CB C 13 43.775 0.016 . 1 . . . A 51 LEU CB . 18447 1 547 . 1 1 50 50 LEU CG C 13 26.010 0.008 . 1 . . . A 51 LEU CG . 18447 1 548 . 1 1 50 50 LEU CD1 C 13 25.048 0.020 . 2 . . . A 51 LEU CD1 . 18447 1 549 . 1 1 50 50 LEU CD2 C 13 23.209 0.013 . 2 . . . A 51 LEU CD2 . 18447 1 550 . 1 1 50 50 LEU N N 15 117.243 0.000 . 1 . . . A 51 LEU N . 18447 1 551 . 1 1 51 51 GLY H H 1 7.557 0.006 . 1 . . . A 52 GLY H . 18447 1 552 . 1 1 51 51 GLY HA2 H 1 3.709 0.006 . 2 . . . A 52 GLY HA2 . 18447 1 553 . 1 1 51 51 GLY HA3 H 1 2.668 0.005 . 2 . . . A 52 GLY HA3 . 18447 1 554 . 1 1 51 51 GLY CA C 13 44.739 0.006 . 1 . . . A 52 GLY CA . 18447 1 555 . 1 1 51 51 GLY N N 15 108.846 0.000 . 1 . . . A 52 GLY N . 18447 1 556 . 1 1 52 52 GLU H H 1 7.706 0.005 . 1 . . . A 53 GLU H . 18447 1 557 . 1 1 52 52 GLU HA H 1 4.341 0.005 . 1 . . . A 53 GLU HA . 18447 1 558 . 1 1 52 52 GLU HB2 H 1 1.912 0.011 . 2 . . . A 53 GLU HB2 . 18447 1 559 . 1 1 52 52 GLU HB3 H 1 1.468 0.008 . 2 . . . A 53 GLU HB3 . 18447 1 560 . 1 1 52 52 GLU HG2 H 1 1.949 0.006 . 2 . . . A 53 GLU HG2 . 18447 1 561 . 1 1 52 52 GLU HG3 H 1 1.814 0.007 . 2 . . . A 53 GLU HG3 . 18447 1 562 . 1 1 52 52 GLU CA C 13 53.509 0.027 . 1 . . . A 53 GLU CA . 18447 1 563 . 1 1 52 52 GLU CB C 13 27.461 0.045 . 1 . . . A 53 GLU CB . 18447 1 564 . 1 1 52 52 GLU CG C 13 34.069 0.023 . 1 . . . A 53 GLU CG . 18447 1 565 . 1 1 52 52 GLU N N 15 122.502 0.000 . 1 . . . A 53 GLU N . 18447 1 566 . 1 1 53 53 TYR H H 1 6.831 0.019 . 1 . . . A 54 TYR H . 18447 1 567 . 1 1 53 53 TYR HA H 1 3.810 0.008 . 1 . . . A 54 TYR HA . 18447 1 568 . 1 1 53 53 TYR HB2 H 1 3.088 0.006 . 2 . . . A 54 TYR HB2 . 18447 1 569 . 1 1 53 53 TYR HB3 H 1 2.641 0.007 . 2 . . . A 54 TYR HB3 . 18447 1 570 . 1 1 53 53 TYR HD1 H 1 6.806 0.000 . 3 . . . A 54 TYR HD1 . 18447 1 571 . 1 1 53 53 TYR HD2 H 1 6.806 0.000 . 3 . . . A 54 TYR HD2 . 18447 1 572 . 1 1 53 53 TYR HE1 H 1 6.696 0.000 . 3 . . . A 54 TYR HE1 . 18447 1 573 . 1 1 53 53 TYR HE2 H 1 6.696 0.000 . 3 . . . A 54 TYR HE2 . 18447 1 574 . 1 1 53 53 TYR CA C 13 61.759 0.008 . 1 . . . A 54 TYR CA . 18447 1 575 . 1 1 53 53 TYR CB C 13 38.090 0.042 . 1 . . . A 54 TYR CB . 18447 1 576 . 1 1 53 53 TYR CD1 C 13 131.833 0.000 . 3 . . . A 54 TYR CD1 . 18447 1 577 . 1 1 53 53 TYR CE1 C 13 119.135 0.000 . 3 . . . A 54 TYR CE1 . 18447 1 578 . 1 1 53 53 TYR N N 15 118.766 0.000 . 1 . . . A 54 TYR N . 18447 1 579 . 1 1 54 54 THR H H 1 8.510 0.005 . 1 . . . A 55 THR H . 18447 1 580 . 1 1 54 54 THR HA H 1 3.781 0.003 . 1 . . . A 55 THR HA . 18447 1 581 . 1 1 54 54 THR HB H 1 4.045 0.006 . 1 . . . A 55 THR HB . 18447 1 582 . 1 1 54 54 THR HG21 H 1 1.131 0.004 . 1 . . . A 55 THR HG21 . 18447 1 583 . 1 1 54 54 THR HG22 H 1 1.131 0.004 . 1 . . . A 55 THR HG22 . 18447 1 584 . 1 1 54 54 THR HG23 H 1 1.131 0.004 . 1 . . . A 55 THR HG23 . 18447 1 585 . 1 1 54 54 THR CA C 13 67.100 0.014 . 1 . . . A 55 THR CA . 18447 1 586 . 1 1 54 54 THR CB C 13 67.802 0.014 . 1 . . . A 55 THR CB . 18447 1 587 . 1 1 54 54 THR CG2 C 13 22.035 0.007 . 1 . . . A 55 THR CG2 . 18447 1 588 . 1 1 54 54 THR N N 15 114.586 0.000 . 1 . . . A 55 THR N . 18447 1 589 . 1 1 55 55 GLN H H 1 8.248 0.007 . 1 . . . A 56 GLN H . 18447 1 590 . 1 1 55 55 GLN HA H 1 4.050 0.005 . 1 . . . A 56 GLN HA . 18447 1 591 . 1 1 55 55 GLN HB2 H 1 2.025 0.008 . 2 . . . A 56 GLN HB2 . 18447 1 592 . 1 1 55 55 GLN HB3 H 1 1.893 0.008 . 2 . . . A 56 GLN HB3 . 18447 1 593 . 1 1 55 55 GLN HG2 H 1 2.431 0.006 . 2 . . . A 56 GLN HG2 . 18447 1 594 . 1 1 55 55 GLN HG3 H 1 2.230 0.006 . 2 . . . A 56 GLN HG3 . 18447 1 595 . 1 1 55 55 GLN HE21 H 1 6.719 0.002 . 2 . . . A 56 GLN HE21 . 18447 1 596 . 1 1 55 55 GLN HE22 H 1 7.220 0.002 . 2 . . . A 56 GLN HE22 . 18447 1 597 . 1 1 55 55 GLN CA C 13 58.987 0.009 . 1 . . . A 56 GLN CA . 18447 1 598 . 1 1 55 55 GLN CB C 13 29.312 0.028 . 1 . . . A 56 GLN CB . 18447 1 599 . 1 1 55 55 GLN CG C 13 34.896 0.026 . 1 . . . A 56 GLN CG . 18447 1 600 . 1 1 55 55 GLN N N 15 121.565 0.000 . 1 . . . A 56 GLN N . 18447 1 601 . 1 1 55 55 GLN NE2 N 15 111.315 0.001 . 1 . . . A 56 GLN NE2 . 18447 1 602 . 1 1 56 56 ALA H H 1 8.215 0.008 . 1 . . . A 57 ALA H . 18447 1 603 . 1 1 56 56 ALA HA H 1 3.738 0.009 . 1 . . . A 57 ALA HA . 18447 1 604 . 1 1 56 56 ALA HB1 H 1 1.400 0.003 . 1 . . . A 57 ALA HB1 . 18447 1 605 . 1 1 56 56 ALA HB2 H 1 1.400 0.003 . 1 . . . A 57 ALA HB2 . 18447 1 606 . 1 1 56 56 ALA HB3 H 1 1.400 0.003 . 1 . . . A 57 ALA HB3 . 18447 1 607 . 1 1 56 56 ALA CA C 13 56.135 0.032 . 1 . . . A 57 ALA CA . 18447 1 608 . 1 1 56 56 ALA CB C 13 18.377 0.053 . 1 . . . A 57 ALA CB . 18447 1 609 . 1 1 56 56 ALA N N 15 122.502 0.000 . 1 . . . A 57 ALA N . 18447 1 610 . 1 1 57 57 ILE H H 1 8.279 0.008 . 1 . . . A 58 ILE H . 18447 1 611 . 1 1 57 57 ILE HA H 1 3.245 0.004 . 1 . . . A 58 ILE HA . 18447 1 612 . 1 1 57 57 ILE HB H 1 1.856 0.005 . 1 . . . A 58 ILE HB . 18447 1 613 . 1 1 57 57 ILE HG12 H 1 1.905 0.006 . 2 . . . A 58 ILE HG12 . 18447 1 614 . 1 1 57 57 ILE HG13 H 1 0.713 0.008 . 2 . . . A 58 ILE HG13 . 18447 1 615 . 1 1 57 57 ILE HG21 H 1 0.666 0.005 . 1 . . . A 58 ILE HG21 . 18447 1 616 . 1 1 57 57 ILE HG22 H 1 0.666 0.005 . 1 . . . A 58 ILE HG22 . 18447 1 617 . 1 1 57 57 ILE HG23 H 1 0.666 0.005 . 1 . . . A 58 ILE HG23 . 18447 1 618 . 1 1 57 57 ILE HD11 H 1 0.656 0.005 . 1 . . . A 58 ILE HD11 . 18447 1 619 . 1 1 57 57 ILE HD12 H 1 0.656 0.005 . 1 . . . A 58 ILE HD12 . 18447 1 620 . 1 1 57 57 ILE HD13 H 1 0.656 0.005 . 1 . . . A 58 ILE HD13 . 18447 1 621 . 1 1 57 57 ILE CA C 13 66.564 0.011 . 1 . . . A 58 ILE CA . 18447 1 622 . 1 1 57 57 ILE CB C 13 38.584 0.018 . 1 . . . A 58 ILE CB . 18447 1 623 . 1 1 57 57 ILE CG1 C 13 30.646 0.037 . 1 . . . A 58 ILE CG1 . 18447 1 624 . 1 1 57 57 ILE CG2 C 13 16.000 0.011 . 1 . . . A 58 ILE CG2 . 18447 1 625 . 1 1 57 57 ILE CD1 C 13 14.189 0.012 . 1 . . . A 58 ILE CD1 . 18447 1 626 . 1 1 57 57 ILE N N 15 119.675 0.000 . 1 . . . A 58 ILE N . 18447 1 627 . 1 1 58 58 GLN H H 1 7.087 0.008 . 1 . . . A 59 GLN H . 18447 1 628 . 1 1 58 58 GLN HA H 1 3.957 0.008 . 1 . . . A 59 GLN HA . 18447 1 629 . 1 1 58 58 GLN HB2 H 1 2.129 0.005 . 2 . . . A 59 GLN HB2 . 18447 1 630 . 1 1 58 58 GLN HB3 H 1 2.025 0.006 . 2 . . . A 59 GLN HB3 . 18447 1 631 . 1 1 58 58 GLN HG2 H 1 2.393 0.009 . 2 . . . A 59 GLN HG2 . 18447 1 632 . 1 1 58 58 GLN HG3 H 1 2.253 0.010 . 2 . . . A 59 GLN HG3 . 18447 1 633 . 1 1 58 58 GLN HE21 H 1 6.723 0.002 . 2 . . . A 59 GLN HE21 . 18447 1 634 . 1 1 58 58 GLN HE22 H 1 7.325 0.003 . 2 . . . A 59 GLN HE22 . 18447 1 635 . 1 1 58 58 GLN CA C 13 58.904 0.021 . 1 . . . A 59 GLN CA . 18447 1 636 . 1 1 58 58 GLN CB C 13 28.072 0.020 . 1 . . . A 59 GLN CB . 18447 1 637 . 1 1 58 58 GLN CG C 13 33.656 0.045 . 1 . . . A 59 GLN CG . 18447 1 638 . 1 1 58 58 GLN N N 15 117.221 0.000 . 1 . . . A 59 GLN N . 18447 1 639 . 1 1 58 58 GLN NE2 N 15 111.842 0.004 . 1 . . . A 59 GLN NE2 . 18447 1 640 . 1 1 59 59 MET H H 1 8.076 0.007 . 1 . . . A 60 MET H . 18447 1 641 . 1 1 59 59 MET HA H 1 4.527 0.004 . 1 . . . A 60 MET HA . 18447 1 642 . 1 1 59 59 MET HB2 H 1 2.290 0.008 . 2 . . . A 60 MET HB2 . 18447 1 643 . 1 1 59 59 MET HB3 H 1 2.079 0.013 . 2 . . . A 60 MET HB3 . 18447 1 644 . 1 1 59 59 MET HG2 H 1 2.657 0.010 . 2 . . . A 60 MET HG2 . 18447 1 645 . 1 1 59 59 MET HG3 H 1 2.339 0.010 . 2 . . . A 60 MET HG3 . 18447 1 646 . 1 1 59 59 MET HE1 H 1 2.105 0.006 . 1 . . . A 60 MET HE1 . 18447 1 647 . 1 1 59 59 MET HE2 H 1 2.105 0.006 . 1 . . . A 60 MET HE2 . 18447 1 648 . 1 1 59 59 MET HE3 H 1 2.105 0.006 . 1 . . . A 60 MET HE3 . 18447 1 649 . 1 1 59 59 MET CA C 13 57.049 0.021 . 1 . . . A 60 MET CA . 18447 1 650 . 1 1 59 59 MET CB C 13 35.158 0.037 . 1 . . . A 60 MET CB . 18447 1 651 . 1 1 59 59 MET CG C 13 33.564 0.026 . 1 . . . A 60 MET CG . 18447 1 652 . 1 1 59 59 MET CE C 13 20.534 0.005 . 1 . . . A 60 MET CE . 18447 1 653 . 1 1 59 59 MET N N 15 116.432 0.000 . 1 . . . A 60 MET N . 18447 1 654 . 1 1 60 60 CYS H H 1 8.446 0.006 . 1 . . . A 61 CYS H . 18447 1 655 . 1 1 60 60 CYS HA H 1 4.027 0.009 . 1 . . . A 61 CYS HA . 18447 1 656 . 1 1 60 60 CYS HB2 H 1 3.038 0.005 . 2 . . . A 61 CYS HB2 . 18447 1 657 . 1 1 60 60 CYS HB3 H 1 2.374 0.010 . 2 . . . A 61 CYS HB3 . 18447 1 658 . 1 1 60 60 CYS CA C 13 63.665 0.086 . 1 . . . A 61 CYS CA . 18447 1 659 . 1 1 60 60 CYS CB C 13 27.850 0.023 . 1 . . . A 61 CYS CB . 18447 1 660 . 1 1 60 60 CYS N N 15 118.441 0.000 . 1 . . . A 61 CYS N . 18447 1 661 . 1 1 61 61 GLN H H 1 8.279 0.009 . 1 . . . A 62 GLN H . 18447 1 662 . 1 1 61 61 GLN HA H 1 3.765 0.007 . 1 . . . A 62 GLN HA . 18447 1 663 . 1 1 61 61 GLN HB2 H 1 2.056 0.005 . 2 . . . A 62 GLN HB2 . 18447 1 664 . 1 1 61 61 GLN HB3 H 1 1.722 0.012 . 2 . . . A 62 GLN HB3 . 18447 1 665 . 1 1 61 61 GLN HG2 H 1 2.411 0.005 . 2 . . . A 62 GLN HG2 . 18447 1 666 . 1 1 61 61 GLN HG3 H 1 2.144 0.006 . 2 . . . A 62 GLN HG3 . 18447 1 667 . 1 1 61 61 GLN HE21 H 1 6.554 0.002 . 2 . . . A 62 GLN HE21 . 18447 1 668 . 1 1 61 61 GLN HE22 H 1 7.028 0.006 . 2 . . . A 62 GLN HE22 . 18447 1 669 . 1 1 61 61 GLN CA C 13 58.916 0.054 . 1 . . . A 62 GLN CA . 18447 1 670 . 1 1 61 61 GLN CB C 13 28.017 0.088 . 1 . . . A 62 GLN CB . 18447 1 671 . 1 1 61 61 GLN CG C 13 34.013 0.041 . 1 . . . A 62 GLN CG . 18447 1 672 . 1 1 61 61 GLN N N 15 116.606 0.000 . 1 . . . A 62 GLN N . 18447 1 673 . 1 1 61 61 GLN NE2 N 15 110.161 0.007 . 1 . . . A 62 GLN NE2 . 18447 1 674 . 1 1 62 62 GLN H H 1 7.750 0.006 . 1 . . . A 63 GLN H . 18447 1 675 . 1 1 62 62 GLN HA H 1 3.570 0.004 . 1 . . . A 63 GLN HA . 18447 1 676 . 1 1 62 62 GLN HB2 H 1 1.812 0.009 . 2 . . . A 63 GLN HB2 . 18447 1 677 . 1 1 62 62 GLN HB3 H 1 1.579 0.006 . 2 . . . A 63 GLN HB3 . 18447 1 678 . 1 1 62 62 GLN HG2 H 1 2.267 0.006 . 2 . . . A 63 GLN HG2 . 18447 1 679 . 1 1 62 62 GLN HG3 H 1 2.161 0.009 . 2 . . . A 63 GLN HG3 . 18447 1 680 . 1 1 62 62 GLN HE21 H 1 6.726 0.010 . 2 . . . A 63 GLN HE21 . 18447 1 681 . 1 1 62 62 GLN HE22 H 1 7.136 0.000 . 2 . . . A 63 GLN HE22 . 18447 1 682 . 1 1 62 62 GLN CA C 13 58.626 0.011 . 1 . . . A 63 GLN CA . 18447 1 683 . 1 1 62 62 GLN CB C 13 28.673 0.024 . 1 . . . A 63 GLN CB . 18447 1 684 . 1 1 62 62 GLN CG C 13 33.987 0.067 . 1 . . . A 63 GLN CG . 18447 1 685 . 1 1 62 62 GLN N N 15 117.102 0.000 . 1 . . . A 63 GLN N . 18447 1 686 . 1 1 62 62 GLN NE2 N 15 111.176 0.002 . 1 . . . A 63 GLN NE2 . 18447 1 687 . 1 1 63 63 GLY H H 1 8.119 0.007 . 1 . . . A 64 GLY H . 18447 1 688 . 1 1 63 63 GLY HA2 H 1 3.192 0.000 . 1 . . . A 64 GLY HA2 . 18447 1 689 . 1 1 63 63 GLY HA3 H 1 3.122 0.000 . 2 . . . A 64 GLY HA3 . 18447 1 690 . 1 1 63 63 GLY CA C 13 47.716 0.004 . 1 . . . A 64 GLY CA . 18447 1 691 . 1 1 63 63 GLY N N 15 104.347 0.000 . 1 . . . A 64 GLY N . 18447 1 692 . 1 1 64 64 LEU H H 1 7.924 0.007 . 1 . . . A 65 LEU H . 18447 1 693 . 1 1 64 64 LEU HA H 1 3.960 0.009 . 1 . . . A 65 LEU HA . 18447 1 694 . 1 1 64 64 LEU HB2 H 1 1.607 0.007 . 2 . . . A 65 LEU HB2 . 18447 1 695 . 1 1 64 64 LEU HB3 H 1 1.193 0.006 . 2 . . . A 65 LEU HB3 . 18447 1 696 . 1 1 64 64 LEU HG H 1 1.563 0.008 . 1 . . . A 65 LEU HG . 18447 1 697 . 1 1 64 64 LEU HD11 H 1 0.532 0.008 . 1 . . . A 65 LEU HD11 . 18447 1 698 . 1 1 64 64 LEU HD12 H 1 0.532 0.008 . 1 . . . A 65 LEU HD12 . 18447 1 699 . 1 1 64 64 LEU HD13 H 1 0.532 0.008 . 1 . . . A 65 LEU HD13 . 18447 1 700 . 1 1 64 64 LEU HD21 H 1 0.809 0.008 . 1 . . . A 65 LEU HD21 . 18447 1 701 . 1 1 64 64 LEU HD22 H 1 0.809 0.008 . 1 . . . A 65 LEU HD22 . 18447 1 702 . 1 1 64 64 LEU HD23 H 1 0.809 0.008 . 1 . . . A 65 LEU HD23 . 18447 1 703 . 1 1 64 64 LEU CA C 13 56.810 0.012 . 1 . . . A 65 LEU CA . 18447 1 704 . 1 1 64 64 LEU CB C 13 41.939 0.020 . 1 . . . A 65 LEU CB . 18447 1 705 . 1 1 64 64 LEU CG C 13 27.901 0.023 . 1 . . . A 65 LEU CG . 18447 1 706 . 1 1 64 64 LEU CD1 C 13 25.209 0.030 . 2 . . . A 65 LEU CD1 . 18447 1 707 . 1 1 64 64 LEU CD2 C 13 24.609 0.012 . 2 . . . A 65 LEU CD2 . 18447 1 708 . 1 1 64 64 LEU N N 15 118.740 0.000 . 1 . . . A 65 LEU N . 18447 1 709 . 1 1 65 65 ARG H H 1 6.983 0.007 . 1 . . . A 66 ARG H . 18447 1 710 . 1 1 65 65 ARG HA H 1 3.683 0.006 . 1 . . . A 66 ARG HA . 18447 1 711 . 1 1 65 65 ARG HB2 H 1 1.079 0.006 . 2 . . . A 66 ARG HB2 . 18447 1 712 . 1 1 65 65 ARG HB3 H 1 0.877 0.007 . 2 . . . A 66 ARG HB3 . 18447 1 713 . 1 1 65 65 ARG HG2 H 1 1.469 0.005 . 2 . . . A 66 ARG HG2 . 18447 1 714 . 1 1 65 65 ARG HG3 H 1 1.143 0.006 . 2 . . . A 66 ARG HG3 . 18447 1 715 . 1 1 65 65 ARG HD2 H 1 2.799 0.004 . 2 . . . A 66 ARG HD2 . 18447 1 716 . 1 1 65 65 ARG HD3 H 1 2.742 0.006 . 2 . . . A 66 ARG HD3 . 18447 1 717 . 1 1 65 65 ARG CA C 13 58.025 0.007 . 1 . . . A 66 ARG CA . 18447 1 718 . 1 1 65 65 ARG CB C 13 29.258 0.011 . 1 . . . A 66 ARG CB . 18447 1 719 . 1 1 65 65 ARG CG C 13 26.648 0.021 . 1 . . . A 66 ARG CG . 18447 1 720 . 1 1 65 65 ARG CD C 13 43.412 0.018 . 1 . . . A 66 ARG CD . 18447 1 721 . 1 1 65 65 ARG N N 15 118.185 0.000 . 1 . . . A 66 ARG N . 18447 1 722 . 1 1 66 66 TYR H H 1 7.114 0.008 . 1 . . . A 67 TYR H . 18447 1 723 . 1 1 66 66 TYR HA H 1 4.743 0.000 . 1 . . . A 67 TYR HA . 18447 1 724 . 1 1 66 66 TYR HB2 H 1 3.487 0.010 . 2 . . . A 67 TYR HB2 . 18447 1 725 . 1 1 66 66 TYR HB3 H 1 2.155 0.007 . 2 . . . A 67 TYR HB3 . 18447 1 726 . 1 1 66 66 TYR HD1 H 1 6.727 0.000 . 3 . . . A 67 TYR HD1 . 18447 1 727 . 1 1 66 66 TYR HD2 H 1 6.727 0.000 . 3 . . . A 67 TYR HD2 . 18447 1 728 . 1 1 66 66 TYR HE1 H 1 6.420 0.000 . 3 . . . A 67 TYR HE1 . 18447 1 729 . 1 1 66 66 TYR HE2 H 1 6.420 0.000 . 3 . . . A 67 TYR HE2 . 18447 1 730 . 1 1 66 66 TYR CA C 13 56.953 0.000 . 1 . . . A 67 TYR CA . 18447 1 731 . 1 1 66 66 TYR CB C 13 39.247 0.058 . 1 . . . A 67 TYR CB . 18447 1 732 . 1 1 66 66 TYR CD1 C 13 132.348 0.000 . 3 . . . A 67 TYR CD1 . 18447 1 733 . 1 1 66 66 TYR CE1 C 13 118.602 0.000 . 3 . . . A 67 TYR CE1 . 18447 1 734 . 1 1 66 66 TYR N N 15 116.386 0.000 . 1 . . . A 67 TYR N . 18447 1 735 . 1 1 67 67 THR H H 1 7.062 0.006 . 1 . . . A 68 THR H . 18447 1 736 . 1 1 67 67 THR HA H 1 4.438 0.002 . 1 . . . A 68 THR HA . 18447 1 737 . 1 1 67 67 THR HB H 1 4.412 0.000 . 1 . . . A 68 THR HB . 18447 1 738 . 1 1 67 67 THR HG21 H 1 0.869 0.003 . 1 . . . A 68 THR HG21 . 18447 1 739 . 1 1 67 67 THR HG22 H 1 0.869 0.003 . 1 . . . A 68 THR HG22 . 18447 1 740 . 1 1 67 67 THR HG23 H 1 0.869 0.003 . 1 . . . A 68 THR HG23 . 18447 1 741 . 1 1 67 67 THR CA C 13 59.791 0.002 . 1 . . . A 68 THR CA . 18447 1 742 . 1 1 67 67 THR CB C 13 69.656 0.000 . 1 . . . A 68 THR CB . 18447 1 743 . 1 1 67 67 THR CG2 C 13 21.905 0.007 . 1 . . . A 68 THR CG2 . 18447 1 744 . 1 1 67 67 THR N N 15 106.165 0.000 . 1 . . . A 68 THR N . 18447 1 745 . 1 1 68 68 SER H H 1 8.742 0.012 . 1 . . . A 69 SER H . 18447 1 746 . 1 1 68 68 SER HA H 1 4.366 0.003 . 1 . . . A 69 SER HA . 18447 1 747 . 1 1 68 68 SER HB2 H 1 3.911 0.004 . 2 . . . A 69 SER HB2 . 18447 1 748 . 1 1 68 68 SER HB3 H 1 3.774 0.001 . 2 . . . A 69 SER HB3 . 18447 1 749 . 1 1 68 68 SER CA C 13 59.350 0.034 . 1 . . . A 69 SER CA . 18447 1 750 . 1 1 68 68 SER CB C 13 63.960 0.043 . 1 . . . A 69 SER CB . 18447 1 751 . 1 1 68 68 SER N N 15 118.000 0.000 . 1 . . . A 69 SER N . 18447 1 752 . 1 1 69 69 THR H H 1 7.880 0.009 . 1 . . . A 70 THR H . 18447 1 753 . 1 1 69 69 THR HA H 1 4.357 0.002 . 1 . . . A 70 THR HA . 18447 1 754 . 1 1 69 69 THR HB H 1 4.357 0.002 . 1 . . . A 70 THR HB . 18447 1 755 . 1 1 69 69 THR HG21 H 1 1.091 0.004 . 1 . . . A 70 THR HG21 . 18447 1 756 . 1 1 69 69 THR HG22 H 1 1.091 0.004 . 1 . . . A 70 THR HG22 . 18447 1 757 . 1 1 69 69 THR HG23 H 1 1.091 0.004 . 1 . . . A 70 THR HG23 . 18447 1 758 . 1 1 69 69 THR CA C 13 61.364 0.067 . 1 . . . A 70 THR CA . 18447 1 759 . 1 1 69 69 THR CB C 13 70.226 0.004 . 1 . . . A 70 THR CB . 18447 1 760 . 1 1 69 69 THR CG2 C 13 21.860 0.012 . 1 . . . A 70 THR CG2 . 18447 1 761 . 1 1 69 69 THR N N 15 111.283 0.000 . 1 . . . A 70 THR N . 18447 1 762 . 1 1 70 70 ALA H H 1 8.440 0.005 . 1 . . . A 71 ALA H . 18447 1 763 . 1 1 70 70 ALA HA H 1 4.058 0.004 . 1 . . . A 71 ALA HA . 18447 1 764 . 1 1 70 70 ALA HB1 H 1 1.262 0.004 . 1 . . . A 71 ALA HB1 . 18447 1 765 . 1 1 70 70 ALA HB2 H 1 1.262 0.004 . 1 . . . A 71 ALA HB2 . 18447 1 766 . 1 1 70 70 ALA HB3 H 1 1.262 0.004 . 1 . . . A 71 ALA HB3 . 18447 1 767 . 1 1 70 70 ALA CA C 13 54.047 0.013 . 1 . . . A 71 ALA CA . 18447 1 768 . 1 1 70 70 ALA CB C 13 18.922 0.001 . 1 . . . A 71 ALA CB . 18447 1 769 . 1 1 70 70 ALA N N 15 122.725 0.000 . 1 . . . A 71 ALA N . 18447 1 770 . 1 1 71 71 GLU H H 1 8.199 0.007 . 1 . . . A 72 GLU H . 18447 1 771 . 1 1 71 71 GLU HA H 1 4.015 0.004 . 1 . . . A 72 GLU HA . 18447 1 772 . 1 1 71 71 GLU HB2 H 1 1.575 0.006 . 2 . . . A 72 GLU HB2 . 18447 1 773 . 1 1 71 71 GLU HB3 H 1 1.538 0.003 . 2 . . . A 72 GLU HB3 . 18447 1 774 . 1 1 71 71 GLU HG2 H 1 1.743 0.006 . 2 . . . A 72 GLU HG2 . 18447 1 775 . 1 1 71 71 GLU HG3 H 1 1.675 0.008 . 2 . . . A 72 GLU HG3 . 18447 1 776 . 1 1 71 71 GLU CA C 13 57.509 0.018 . 1 . . . A 72 GLU CA . 18447 1 777 . 1 1 71 71 GLU CB C 13 29.557 0.024 . 1 . . . A 72 GLU CB . 18447 1 778 . 1 1 71 71 GLU CG C 13 35.526 0.025 . 1 . . . A 72 GLU CG . 18447 1 779 . 1 1 71 71 GLU N N 15 117.369 0.000 . 1 . . . A 72 GLU N . 18447 1 780 . 1 1 72 72 HIS H H 1 7.595 0.011 . 1 . . . A 73 HIS H . 18447 1 781 . 1 1 72 72 HIS HA H 1 4.847 0.009 . 1 . . . A 73 HIS HA . 18447 1 782 . 1 1 72 72 HIS HB2 H 1 3.182 0.003 . 2 . . . A 73 HIS HB2 . 18447 1 783 . 1 1 72 72 HIS HB3 H 1 2.832 0.010 . 2 . . . A 73 HIS HB3 . 18447 1 784 . 1 1 72 72 HIS HD2 H 1 6.973 0.000 . 1 . . . A 73 HIS HD2 . 18447 1 785 . 1 1 72 72 HIS HE1 H 1 7.609 0.000 . 1 . . . A 73 HIS HE1 . 18447 1 786 . 1 1 72 72 HIS CA C 13 55.586 0.051 . 1 . . . A 73 HIS CA . 18447 1 787 . 1 1 72 72 HIS CB C 13 31.330 0.031 . 1 . . . A 73 HIS CB . 18447 1 788 . 1 1 72 72 HIS CD2 C 13 118.433 0.000 . 1 . . . A 73 HIS CD2 . 18447 1 789 . 1 1 72 72 HIS CE1 C 13 138.553 0.000 . 1 . . . A 73 HIS CE1 . 18447 1 790 . 1 1 72 72 HIS N N 15 116.641 0.000 . 1 . . . A 73 HIS N . 18447 1 791 . 1 1 73 73 VAL H H 1 7.231 0.006 . 1 . . . A 74 VAL H . 18447 1 792 . 1 1 73 73 VAL HA H 1 3.508 0.005 . 1 . . . A 74 VAL HA . 18447 1 793 . 1 1 73 73 VAL HB H 1 1.945 0.010 . 1 . . . A 74 VAL HB . 18447 1 794 . 1 1 73 73 VAL HG11 H 1 0.907 0.004 . 1 . . . A 74 VAL HG11 . 18447 1 795 . 1 1 73 73 VAL HG12 H 1 0.907 0.004 . 1 . . . A 74 VAL HG12 . 18447 1 796 . 1 1 73 73 VAL HG13 H 1 0.907 0.004 . 1 . . . A 74 VAL HG13 . 18447 1 797 . 1 1 73 73 VAL HG21 H 1 0.841 0.004 . 1 . . . A 74 VAL HG21 . 18447 1 798 . 1 1 73 73 VAL HG22 H 1 0.841 0.004 . 1 . . . A 74 VAL HG22 . 18447 1 799 . 1 1 73 73 VAL HG23 H 1 0.841 0.004 . 1 . . . A 74 VAL HG23 . 18447 1 800 . 1 1 73 73 VAL CA C 13 66.633 0.005 . 1 . . . A 74 VAL CA . 18447 1 801 . 1 1 73 73 VAL CB C 13 31.720 0.022 . 1 . . . A 74 VAL CB . 18447 1 802 . 1 1 73 73 VAL CG1 C 13 22.012 0.005 . 2 . . . A 74 VAL CG1 . 18447 1 803 . 1 1 73 73 VAL CG2 C 13 20.625 0.020 . 2 . . . A 74 VAL CG2 . 18447 1 804 . 1 1 73 73 VAL N N 15 119.188 0.000 . 1 . . . A 74 VAL N . 18447 1 805 . 1 1 74 74 ALA H H 1 8.459 0.005 . 1 . . . A 75 ALA H . 18447 1 806 . 1 1 74 74 ALA HA H 1 4.108 0.006 . 1 . . . A 75 ALA HA . 18447 1 807 . 1 1 74 74 ALA HB1 H 1 1.291 0.007 . 1 . . . A 75 ALA HB1 . 18447 1 808 . 1 1 74 74 ALA HB2 H 1 1.291 0.007 . 1 . . . A 75 ALA HB2 . 18447 1 809 . 1 1 74 74 ALA HB3 H 1 1.291 0.007 . 1 . . . A 75 ALA HB3 . 18447 1 810 . 1 1 74 74 ALA CA C 13 55.296 0.018 . 1 . . . A 75 ALA CA . 18447 1 811 . 1 1 74 74 ALA CB C 13 17.686 0.028 . 1 . . . A 75 ALA CB . 18447 1 812 . 1 1 74 74 ALA N N 15 123.273 0.000 . 1 . . . A 75 ALA N . 18447 1 813 . 1 1 75 75 ILE H H 1 8.023 0.007 . 1 . . . A 76 ILE H . 18447 1 814 . 1 1 75 75 ILE HA H 1 3.780 0.010 . 1 . . . A 76 ILE HA . 18447 1 815 . 1 1 75 75 ILE HB H 1 1.755 0.005 . 1 . . . A 76 ILE HB . 18447 1 816 . 1 1 75 75 ILE HG12 H 1 1.403 0.006 . 2 . . . A 76 ILE HG12 . 18447 1 817 . 1 1 75 75 ILE HG13 H 1 1.159 0.007 . 2 . . . A 76 ILE HG13 . 18447 1 818 . 1 1 75 75 ILE HG21 H 1 0.817 0.006 . 1 . . . A 76 ILE HG21 . 18447 1 819 . 1 1 75 75 ILE HG22 H 1 0.817 0.006 . 1 . . . A 76 ILE HG22 . 18447 1 820 . 1 1 75 75 ILE HG23 H 1 0.817 0.006 . 1 . . . A 76 ILE HG23 . 18447 1 821 . 1 1 75 75 ILE HD11 H 1 0.666 0.011 . 1 . . . A 76 ILE HD11 . 18447 1 822 . 1 1 75 75 ILE HD12 H 1 0.666 0.011 . 1 . . . A 76 ILE HD12 . 18447 1 823 . 1 1 75 75 ILE HD13 H 1 0.666 0.011 . 1 . . . A 76 ILE HD13 . 18447 1 824 . 1 1 75 75 ILE CA C 13 63.033 0.015 . 1 . . . A 76 ILE CA . 18447 1 825 . 1 1 75 75 ILE CB C 13 37.349 0.007 . 1 . . . A 76 ILE CB . 18447 1 826 . 1 1 75 75 ILE CG1 C 13 29.388 0.015 . 1 . . . A 76 ILE CG1 . 18447 1 827 . 1 1 75 75 ILE CG2 C 13 18.068 0.030 . 1 . . . A 76 ILE CG2 . 18447 1 828 . 1 1 75 75 ILE CD1 C 13 13.280 0.077 . 1 . . . A 76 ILE CD1 . 18447 1 829 . 1 1 75 75 ILE N N 15 119.829 0.000 . 1 . . . A 76 ILE N . 18447 1 830 . 1 1 76 76 ARG H H 1 8.650 0.008 . 1 . . . A 77 ARG H . 18447 1 831 . 1 1 76 76 ARG HA H 1 3.775 0.004 . 1 . . . A 77 ARG HA . 18447 1 832 . 1 1 76 76 ARG HB2 H 1 1.972 0.010 . 2 . . . A 77 ARG HB2 . 18447 1 833 . 1 1 76 76 ARG HB3 H 1 1.799 0.008 . 2 . . . A 77 ARG HB3 . 18447 1 834 . 1 1 76 76 ARG HG2 H 1 1.544 0.013 . 2 . . . A 77 ARG HG2 . 18447 1 835 . 1 1 76 76 ARG HG3 H 1 1.334 0.009 . 2 . . . A 77 ARG HG3 . 18447 1 836 . 1 1 76 76 ARG HD2 H 1 2.998 0.009 . 2 . . . A 77 ARG HD2 . 18447 1 837 . 1 1 76 76 ARG HD3 H 1 2.998 0.009 . 2 . . . A 77 ARG HD3 . 18447 1 838 . 1 1 76 76 ARG CA C 13 60.278 0.051 . 1 . . . A 77 ARG CA . 18447 1 839 . 1 1 76 76 ARG CB C 13 30.469 0.043 . 1 . . . A 77 ARG CB . 18447 1 840 . 1 1 76 76 ARG CG C 13 26.622 0.023 . 1 . . . A 77 ARG CG . 18447 1 841 . 1 1 76 76 ARG CD C 13 43.813 0.013 . 1 . . . A 77 ARG CD . 18447 1 842 . 1 1 76 76 ARG N N 15 123.405 0.000 . 1 . . . A 77 ARG N . 18447 1 843 . 1 1 77 77 SER H H 1 7.742 0.007 . 1 . . . A 78 SER H . 18447 1 844 . 1 1 77 77 SER HA H 1 4.148 0.009 . 1 . . . A 78 SER HA . 18447 1 845 . 1 1 77 77 SER HB2 H 1 3.899 0.006 . 2 . . . A 78 SER HB2 . 18447 1 846 . 1 1 77 77 SER HB3 H 1 3.832 0.015 . 2 . . . A 78 SER HB3 . 18447 1 847 . 1 1 77 77 SER CA C 13 61.928 0.077 . 1 . . . A 78 SER CA . 18447 1 848 . 1 1 77 77 SER CB C 13 62.439 0.089 . 1 . . . A 78 SER CB . 18447 1 849 . 1 1 77 77 SER N N 15 113.279 0.000 . 1 . . . A 78 SER N . 18447 1 850 . 1 1 78 78 LYS H H 1 7.408 0.007 . 1 . . . A 79 LYS H . 18447 1 851 . 1 1 78 78 LYS HA H 1 4.136 0.012 . 1 . . . A 79 LYS HA . 18447 1 852 . 1 1 78 78 LYS HB2 H 1 1.944 0.006 . 2 . . . A 79 LYS HB2 . 18447 1 853 . 1 1 78 78 LYS HB3 H 1 1.293 0.006 . 2 . . . A 79 LYS HB3 . 18447 1 854 . 1 1 78 78 LYS HG2 H 1 1.583 0.012 . 2 . . . A 79 LYS HG2 . 18447 1 855 . 1 1 78 78 LYS HG3 H 1 1.201 0.014 . 2 . . . A 79 LYS HG3 . 18447 1 856 . 1 1 78 78 LYS HD2 H 1 1.615 0.007 . 2 . . . A 79 LYS HD2 . 18447 1 857 . 1 1 78 78 LYS HD3 H 1 1.359 0.006 . 2 . . . A 79 LYS HD3 . 18447 1 858 . 1 1 78 78 LYS HE2 H 1 2.715 0.010 . 2 . . . A 79 LYS HE2 . 18447 1 859 . 1 1 78 78 LYS HE3 H 1 2.715 0.010 . 2 . . . A 79 LYS HE3 . 18447 1 860 . 1 1 78 78 LYS CA C 13 60.337 0.065 . 1 . . . A 79 LYS CA . 18447 1 861 . 1 1 78 78 LYS CB C 13 32.993 0.031 . 1 . . . A 79 LYS CB . 18447 1 862 . 1 1 78 78 LYS CG C 13 26.435 0.049 . 1 . . . A 79 LYS CG . 18447 1 863 . 1 1 78 78 LYS CD C 13 30.405 0.107 . 1 . . . A 79 LYS CD . 18447 1 864 . 1 1 78 78 LYS CE C 13 41.879 0.150 . 1 . . . A 79 LYS CE . 18447 1 865 . 1 1 78 78 LYS N N 15 122.524 0.023 . 1 . . . A 79 LYS N . 18447 1 866 . 1 1 79 79 LEU H H 1 8.642 0.002 . 1 . . . A 80 LEU H . 18447 1 867 . 1 1 79 79 LEU HA H 1 3.719 0.009 . 1 . . . A 80 LEU HA . 18447 1 868 . 1 1 79 79 LEU HB2 H 1 2.108 0.006 . 2 . . . A 80 LEU HB2 . 18447 1 869 . 1 1 79 79 LEU HB3 H 1 1.076 0.012 . 2 . . . A 80 LEU HB3 . 18447 1 870 . 1 1 79 79 LEU HG H 1 1.605 0.014 . 1 . . . A 80 LEU HG . 18447 1 871 . 1 1 79 79 LEU HD11 H 1 0.875 0.021 . 1 . . . A 80 LEU HD11 . 18447 1 872 . 1 1 79 79 LEU HD12 H 1 0.875 0.021 . 1 . . . A 80 LEU HD12 . 18447 1 873 . 1 1 79 79 LEU HD13 H 1 0.875 0.021 . 1 . . . A 80 LEU HD13 . 18447 1 874 . 1 1 79 79 LEU HD21 H 1 0.592 0.010 . 1 . . . A 80 LEU HD21 . 18447 1 875 . 1 1 79 79 LEU HD22 H 1 0.592 0.010 . 1 . . . A 80 LEU HD22 . 18447 1 876 . 1 1 79 79 LEU HD23 H 1 0.592 0.010 . 1 . . . A 80 LEU HD23 . 18447 1 877 . 1 1 79 79 LEU CA C 13 58.916 0.026 . 1 . . . A 80 LEU CA . 18447 1 878 . 1 1 79 79 LEU CB C 13 42.597 0.013 . 1 . . . A 80 LEU CB . 18447 1 879 . 1 1 79 79 LEU CG C 13 27.449 0.048 . 1 . . . A 80 LEU CG . 18447 1 880 . 1 1 79 79 LEU CD1 C 13 25.115 0.003 . 2 . . . A 80 LEU CD1 . 18447 1 881 . 1 1 79 79 LEU CD2 C 13 26.856 0.038 . 2 . . . A 80 LEU CD2 . 18447 1 882 . 1 1 79 79 LEU N N 15 121.434 0.000 . 1 . . . A 80 LEU N . 18447 1 883 . 1 1 80 80 GLN H H 1 8.445 0.006 . 1 . . . A 81 GLN H . 18447 1 884 . 1 1 80 80 GLN HA H 1 3.766 0.005 . 1 . . . A 81 GLN HA . 18447 1 885 . 1 1 80 80 GLN HB2 H 1 2.123 0.004 . 2 . . . A 81 GLN HB2 . 18447 1 886 . 1 1 80 80 GLN HB3 H 1 1.890 0.006 . 2 . . . A 81 GLN HB3 . 18447 1 887 . 1 1 80 80 GLN HG2 H 1 2.344 0.005 . 2 . . . A 81 GLN HG2 . 18447 1 888 . 1 1 80 80 GLN HG3 H 1 2.210 0.007 . 2 . . . A 81 GLN HG3 . 18447 1 889 . 1 1 80 80 GLN HE21 H 1 6.499 0.004 . 2 . . . A 81 GLN HE21 . 18447 1 890 . 1 1 80 80 GLN HE22 H 1 7.692 0.001 . 2 . . . A 81 GLN HE22 . 18447 1 891 . 1 1 80 80 GLN CA C 13 58.898 0.023 . 1 . . . A 81 GLN CA . 18447 1 892 . 1 1 80 80 GLN CB C 13 28.084 0.021 . 1 . . . A 81 GLN CB . 18447 1 893 . 1 1 80 80 GLN CG C 13 33.503 0.019 . 1 . . . A 81 GLN CG . 18447 1 894 . 1 1 80 80 GLN N N 15 118.127 0.000 . 1 . . . A 81 GLN N . 18447 1 895 . 1 1 80 80 GLN NE2 N 15 111.691 0.007 . 1 . . . A 81 GLN NE2 . 18447 1 896 . 1 1 81 81 TYR H H 1 7.902 0.008 . 1 . . . A 82 TYR H . 18447 1 897 . 1 1 81 81 TYR HA H 1 4.047 0.003 . 1 . . . A 82 TYR HA . 18447 1 898 . 1 1 81 81 TYR HB2 H 1 3.084 0.010 . 2 . . . A 82 TYR HB2 . 18447 1 899 . 1 1 81 81 TYR HB3 H 1 3.084 0.010 . 2 . . . A 82 TYR HB3 . 18447 1 900 . 1 1 81 81 TYR HD1 H 1 6.874 0.004 . 3 . . . A 82 TYR HD1 . 18447 1 901 . 1 1 81 81 TYR HD2 H 1 6.874 0.004 . 3 . . . A 82 TYR HD2 . 18447 1 902 . 1 1 81 81 TYR HE1 H 1 6.592 0.003 . 3 . . . A 82 TYR HE1 . 18447 1 903 . 1 1 81 81 TYR HE2 H 1 6.592 0.003 . 3 . . . A 82 TYR HE2 . 18447 1 904 . 1 1 81 81 TYR CA C 13 61.191 0.001 . 1 . . . A 82 TYR CA . 18447 1 905 . 1 1 81 81 TYR CB C 13 38.712 0.071 . 1 . . . A 82 TYR CB . 18447 1 906 . 1 1 81 81 TYR CD1 C 13 133.382 0.000 . 3 . . . A 82 TYR CD1 . 18447 1 907 . 1 1 81 81 TYR CE1 C 13 118.077 0.000 . 3 . . . A 82 TYR CE1 . 18447 1 908 . 1 1 81 81 TYR N N 15 120.177 0.039 . 1 . . . A 82 TYR N . 18447 1 909 . 1 1 82 82 ARG H H 1 8.572 0.007 . 1 . . . A 83 ARG H . 18447 1 910 . 1 1 82 82 ARG HA H 1 3.529 0.006 . 1 . . . A 83 ARG HA . 18447 1 911 . 1 1 82 82 ARG HB2 H 1 2.107 0.006 . 2 . . . A 83 ARG HB2 . 18447 1 912 . 1 1 82 82 ARG HB3 H 1 1.462 0.005 . 2 . . . A 83 ARG HB3 . 18447 1 913 . 1 1 82 82 ARG HD2 H 1 2.692 0.008 . 2 . . . A 83 ARG HD2 . 18447 1 914 . 1 1 82 82 ARG HD3 H 1 2.692 0.008 . 2 . . . A 83 ARG HD3 . 18447 1 915 . 1 1 82 82 ARG CA C 13 59.752 0.012 . 1 . . . A 83 ARG CA . 18447 1 916 . 1 1 82 82 ARG CB C 13 29.950 0.072 . 1 . . . A 83 ARG CB . 18447 1 917 . 1 1 82 82 ARG CD C 13 43.215 0.030 . 1 . . . A 83 ARG CD . 18447 1 918 . 1 1 82 82 ARG N N 15 119.996 0.000 . 1 . . . A 83 ARG N . 18447 1 919 . 1 1 83 83 LEU H H 1 8.311 0.011 . 1 . . . A 84 LEU H . 18447 1 920 . 1 1 83 83 LEU HA H 1 3.769 0.007 . 1 . . . A 84 LEU HA . 18447 1 921 . 1 1 83 83 LEU HB2 H 1 1.940 0.006 . 2 . . . A 84 LEU HB2 . 18447 1 922 . 1 1 83 83 LEU HB3 H 1 1.220 0.011 . 2 . . . A 84 LEU HB3 . 18447 1 923 . 1 1 83 83 LEU HG H 1 1.305 0.006 . 1 . . . A 84 LEU HG . 18447 1 924 . 1 1 83 83 LEU HD11 H 1 0.808 0.010 . 1 . . . A 84 LEU HD11 . 18447 1 925 . 1 1 83 83 LEU HD12 H 1 0.808 0.010 . 1 . . . A 84 LEU HD12 . 18447 1 926 . 1 1 83 83 LEU HD13 H 1 0.808 0.010 . 1 . . . A 84 LEU HD13 . 18447 1 927 . 1 1 83 83 LEU HD21 H 1 0.655 0.007 . 1 . . . A 84 LEU HD21 . 18447 1 928 . 1 1 83 83 LEU HD22 H 1 0.655 0.007 . 1 . . . A 84 LEU HD22 . 18447 1 929 . 1 1 83 83 LEU HD23 H 1 0.655 0.007 . 1 . . . A 84 LEU HD23 . 18447 1 930 . 1 1 83 83 LEU CA C 13 58.796 0.072 . 1 . . . A 84 LEU CA . 18447 1 931 . 1 1 83 83 LEU CB C 13 41.884 0.018 . 1 . . . A 84 LEU CB . 18447 1 932 . 1 1 83 83 LEU CG C 13 26.858 0.050 . 1 . . . A 84 LEU CG . 18447 1 933 . 1 1 83 83 LEU CD1 C 13 25.179 0.047 . 2 . . . A 84 LEU CD1 . 18447 1 934 . 1 1 83 83 LEU CD2 C 13 25.999 0.005 . 2 . . . A 84 LEU CD2 . 18447 1 935 . 1 1 83 83 LEU N N 15 123.651 0.000 . 1 . . . A 84 LEU N . 18447 1 936 . 1 1 84 84 GLU H H 1 7.618 0.007 . 1 . . . A 85 GLU H . 18447 1 937 . 1 1 84 84 GLU HA H 1 3.777 0.005 . 1 . . . A 85 GLU HA . 18447 1 938 . 1 1 84 84 GLU HB2 H 1 1.790 0.006 . 2 . . . A 85 GLU HB2 . 18447 1 939 . 1 1 84 84 GLU HB3 H 1 1.790 0.006 . 2 . . . A 85 GLU HB3 . 18447 1 940 . 1 1 84 84 GLU HG2 H 1 2.304 0.007 . 2 . . . A 85 GLU HG2 . 18447 1 941 . 1 1 84 84 GLU HG3 H 1 2.017 0.010 . 2 . . . A 85 GLU HG3 . 18447 1 942 . 1 1 84 84 GLU CA C 13 59.193 0.019 . 1 . . . A 85 GLU CA . 18447 1 943 . 1 1 84 84 GLU CB C 13 28.924 0.008 . 1 . . . A 85 GLU CB . 18447 1 944 . 1 1 84 84 GLU CG C 13 36.508 0.020 . 1 . . . A 85 GLU CG . 18447 1 945 . 1 1 84 84 GLU N N 15 117.868 0.000 . 1 . . . A 85 GLU N . 18447 1 946 . 1 1 85 85 LEU H H 1 7.982 0.009 . 1 . . . A 86 LEU H . 18447 1 947 . 1 1 85 85 LEU HA H 1 3.679 0.006 . 1 . . . A 86 LEU HA . 18447 1 948 . 1 1 85 85 LEU HB2 H 1 1.440 0.009 . 2 . . . A 86 LEU HB2 . 18447 1 949 . 1 1 85 85 LEU HB3 H 1 1.245 0.008 . 2 . . . A 86 LEU HB3 . 18447 1 950 . 1 1 85 85 LEU HG H 1 1.318 0.003 . 1 . . . A 86 LEU HG . 18447 1 951 . 1 1 85 85 LEU HD11 H 1 0.673 0.001 . 1 . . . A 86 LEU HD11 . 18447 1 952 . 1 1 85 85 LEU HD12 H 1 0.673 0.001 . 1 . . . A 86 LEU HD12 . 18447 1 953 . 1 1 85 85 LEU HD13 H 1 0.673 0.001 . 1 . . . A 86 LEU HD13 . 18447 1 954 . 1 1 85 85 LEU HD21 H 1 0.676 0.000 . 1 . . . A 86 LEU HD21 . 18447 1 955 . 1 1 85 85 LEU HD22 H 1 0.676 0.000 . 1 . . . A 86 LEU HD22 . 18447 1 956 . 1 1 85 85 LEU HD23 H 1 0.676 0.000 . 1 . . . A 86 LEU HD23 . 18447 1 957 . 1 1 85 85 LEU CA C 13 58.070 0.030 . 1 . . . A 86 LEU CA . 18447 1 958 . 1 1 85 85 LEU CB C 13 42.676 0.042 . 1 . . . A 86 LEU CB . 18447 1 959 . 1 1 85 85 LEU CG C 13 26.923 0.054 . 1 . . . A 86 LEU CG . 18447 1 960 . 1 1 85 85 LEU CD1 C 13 24.503 0.010 . 2 . . . A 86 LEU CD1 . 18447 1 961 . 1 1 85 85 LEU CD2 C 13 25.320 0.005 . 2 . . . A 86 LEU CD2 . 18447 1 962 . 1 1 85 85 LEU N N 15 122.843 0.000 . 1 . . . A 86 LEU N . 18447 1 963 . 1 1 86 86 ALA H H 1 8.325 0.006 . 1 . . . A 87 ALA H . 18447 1 964 . 1 1 86 86 ALA HA H 1 3.748 0.007 . 1 . . . A 87 ALA HA . 18447 1 965 . 1 1 86 86 ALA HB1 H 1 1.454 0.004 . 1 . . . A 87 ALA HB1 . 18447 1 966 . 1 1 86 86 ALA HB2 H 1 1.454 0.004 . 1 . . . A 87 ALA HB2 . 18447 1 967 . 1 1 86 86 ALA HB3 H 1 1.454 0.004 . 1 . . . A 87 ALA HB3 . 18447 1 968 . 1 1 86 86 ALA CA C 13 55.230 0.003 . 1 . . . A 87 ALA CA . 18447 1 969 . 1 1 86 86 ALA CB C 13 18.927 0.008 . 1 . . . A 87 ALA CB . 18447 1 970 . 1 1 86 86 ALA N N 15 122.109 0.000 . 1 . . . A 87 ALA N . 18447 1 971 . 1 1 87 87 GLN H H 1 8.621 0.006 . 1 . . . A 88 GLN H . 18447 1 972 . 1 1 87 87 GLN HA H 1 3.777 0.006 . 1 . . . A 88 GLN HA . 18447 1 973 . 1 1 87 87 GLN HB2 H 1 2.018 0.007 . 2 . . . A 88 GLN HB2 . 18447 1 974 . 1 1 87 87 GLN HB3 H 1 1.725 0.004 . 2 . . . A 88 GLN HB3 . 18447 1 975 . 1 1 87 87 GLN HG2 H 1 2.447 0.006 . 2 . . . A 88 GLN HG2 . 18447 1 976 . 1 1 87 87 GLN HG3 H 1 2.111 0.005 . 2 . . . A 88 GLN HG3 . 18447 1 977 . 1 1 87 87 GLN HE21 H 1 6.560 0.004 . 2 . . . A 88 GLN HE21 . 18447 1 978 . 1 1 87 87 GLN HE22 H 1 7.023 0.003 . 2 . . . A 88 GLN HE22 . 18447 1 979 . 1 1 87 87 GLN CA C 13 58.892 0.011 . 1 . . . A 88 GLN CA . 18447 1 980 . 1 1 87 87 GLN CB C 13 28.383 0.039 . 1 . . . A 88 GLN CB . 18447 1 981 . 1 1 87 87 GLN CG C 13 34.538 0.063 . 1 . . . A 88 GLN CG . 18447 1 982 . 1 1 87 87 GLN N N 15 115.773 0.000 . 1 . . . A 88 GLN N . 18447 1 983 . 1 1 87 87 GLN NE2 N 15 110.172 0.019 . 1 . . . A 88 GLN NE2 . 18447 1 984 . 1 1 88 88 GLY H H 1 7.831 0.006 . 1 . . . A 89 GLY H . 18447 1 985 . 1 1 88 88 GLY HA2 H 1 3.700 0.001 . 1 . . . A 89 GLY HA2 . 18447 1 986 . 1 1 88 88 GLY HA3 H 1 3.592 0.002 . 2 . . . A 89 GLY HA3 . 18447 1 987 . 1 1 88 88 GLY CA C 13 46.037 0.013 . 1 . . . A 89 GLY CA . 18447 1 988 . 1 1 88 88 GLY N N 15 106.434 0.000 . 1 . . . A 89 GLY N . 18447 1 989 . 1 1 89 89 ALA H H 1 7.208 0.006 . 1 . . . A 90 ALA H . 18447 1 990 . 1 1 89 89 ALA HA H 1 3.769 0.006 . 1 . . . A 90 ALA HA . 18447 1 991 . 1 1 89 89 ALA HB1 H 1 0.364 0.005 . 1 . . . A 90 ALA HB1 . 18447 1 992 . 1 1 89 89 ALA HB2 H 1 0.364 0.005 . 1 . . . A 90 ALA HB2 . 18447 1 993 . 1 1 89 89 ALA HB3 H 1 0.364 0.005 . 1 . . . A 90 ALA HB3 . 18447 1 994 . 1 1 89 89 ALA CA C 13 53.113 0.001 . 1 . . . A 90 ALA CA . 18447 1 995 . 1 1 89 89 ALA CB C 13 17.000 0.011 . 1 . . . A 90 ALA CB . 18447 1 996 . 1 1 89 89 ALA N N 15 122.774 0.000 . 1 . . . A 90 ALA N . 18447 1 997 . 1 1 90 90 VAL H H 1 7.208 0.006 . 1 . . . A 91 VAL H . 18447 1 998 . 1 1 90 90 VAL HA H 1 3.855 0.017 . 1 . . . A 91 VAL HA . 18447 1 999 . 1 1 90 90 VAL HB H 1 1.964 0.009 . 1 . . . A 91 VAL HB . 18447 1 1000 . 1 1 90 90 VAL HG11 H 1 0.857 0.004 . 1 . . . A 91 VAL HG11 . 18447 1 1001 . 1 1 90 90 VAL HG12 H 1 0.857 0.004 . 1 . . . A 91 VAL HG12 . 18447 1 1002 . 1 1 90 90 VAL HG13 H 1 0.857 0.004 . 1 . . . A 91 VAL HG13 . 18447 1 1003 . 1 1 90 90 VAL HG21 H 1 0.796 0.004 . 1 . . . A 91 VAL HG21 . 18447 1 1004 . 1 1 90 90 VAL HG22 H 1 0.796 0.004 . 1 . . . A 91 VAL HG22 . 18447 1 1005 . 1 1 90 90 VAL HG23 H 1 0.796 0.004 . 1 . . . A 91 VAL HG23 . 18447 1 1006 . 1 1 90 90 VAL CA C 13 63.233 0.026 . 1 . . . A 91 VAL CA . 18447 1 1007 . 1 1 90 90 VAL CB C 13 32.204 0.021 . 1 . . . A 91 VAL CB . 18447 1 1008 . 1 1 90 90 VAL CG1 C 13 21.334 0.010 . 2 . . . A 91 VAL CG1 . 18447 1 1009 . 1 1 90 90 VAL CG2 C 13 20.940 0.045 . 2 . . . A 91 VAL CG2 . 18447 1 1010 . 1 1 90 90 VAL N N 15 115.544 0.000 . 1 . . . A 91 VAL N . 18447 1 1011 . 1 1 91 91 GLY H H 1 7.834 0.005 . 1 . . . A 92 GLY H . 18447 1 1012 . 1 1 91 91 GLY HA2 H 1 3.815 0.000 . 2 . . . A 92 GLY HA2 . 18447 1 1013 . 1 1 91 91 GLY HA3 H 1 3.815 0.000 . 2 . . . A 92 GLY HA3 . 18447 1 1014 . 1 1 91 91 GLY CA C 13 45.295 0.000 . 1 . . . A 92 GLY CA . 18447 1 1015 . 1 1 91 91 GLY N N 15 109.389 0.000 . 1 . . . A 92 GLY N . 18447 1 1016 . 1 1 92 92 SER H H 1 7.896 0.014 . 1 . . . A 93 SER H . 18447 1 1017 . 1 1 92 92 SER HA H 1 4.317 0.000 . 1 . . . A 93 SER HA . 18447 1 1018 . 1 1 92 92 SER HB2 H 1 3.695 0.002 . 2 . . . A 93 SER HB2 . 18447 1 1019 . 1 1 92 92 SER HB3 H 1 3.695 0.002 . 2 . . . A 93 SER HB3 . 18447 1 1020 . 1 1 92 92 SER CA C 13 58.213 0.007 . 1 . . . A 93 SER CA . 18447 1 1021 . 1 1 92 92 SER CB C 13 63.772 0.005 . 1 . . . A 93 SER CB . 18447 1 1022 . 1 1 92 92 SER N N 15 115.295 0.000 . 1 . . . A 93 SER N . 18447 1 1023 . 1 1 93 93 VAL H H 1 7.909 0.005 . 1 . . . A 94 VAL H . 18447 1 1024 . 1 1 93 93 VAL HA H 1 3.977 0.006 . 1 . . . A 94 VAL HA . 18447 1 1025 . 1 1 93 93 VAL HB H 1 1.924 0.004 . 1 . . . A 94 VAL HB . 18447 1 1026 . 1 1 93 93 VAL HG11 H 1 0.767 0.004 . 1 . . . A 94 VAL HG11 . 18447 1 1027 . 1 1 93 93 VAL HG12 H 1 0.767 0.004 . 1 . . . A 94 VAL HG12 . 18447 1 1028 . 1 1 93 93 VAL HG13 H 1 0.767 0.004 . 1 . . . A 94 VAL HG13 . 18447 1 1029 . 1 1 93 93 VAL HG21 H 1 0.792 0.005 . 1 . . . A 94 VAL HG21 . 18447 1 1030 . 1 1 93 93 VAL HG22 H 1 0.792 0.005 . 1 . . . A 94 VAL HG22 . 18447 1 1031 . 1 1 93 93 VAL HG23 H 1 0.792 0.005 . 1 . . . A 94 VAL HG23 . 18447 1 1032 . 1 1 93 93 VAL CA C 13 62.072 0.014 . 1 . . . A 94 VAL CA . 18447 1 1033 . 1 1 93 93 VAL CB C 13 32.560 0.007 . 1 . . . A 94 VAL CB . 18447 1 1034 . 1 1 93 93 VAL CG1 C 13 21.025 0.024 . 2 . . . A 94 VAL CG1 . 18447 1 1035 . 1 1 93 93 VAL CG2 C 13 20.413 0.042 . 2 . . . A 94 VAL CG2 . 18447 1 1036 . 1 1 93 93 VAL N N 15 121.522 0.000 . 1 . . . A 94 VAL N . 18447 1 1037 . 1 1 94 94 GLN H H 1 8.318 0.010 . 1 . . . A 95 GLN H . 18447 1 1038 . 1 1 94 94 GLN HA H 1 4.186 0.004 . 1 . . . A 95 GLN HA . 18447 1 1039 . 1 1 94 94 GLN HB2 H 1 1.867 0.007 . 2 . . . A 95 GLN HB2 . 18447 1 1040 . 1 1 94 94 GLN HB3 H 1 1.771 0.005 . 2 . . . A 95 GLN HB3 . 18447 1 1041 . 1 1 94 94 GLN HG2 H 1 2.161 0.008 . 2 . . . A 95 GLN HG2 . 18447 1 1042 . 1 1 94 94 GLN HG3 H 1 2.161 0.008 . 2 . . . A 95 GLN HG3 . 18447 1 1043 . 1 1 94 94 GLN HE21 H 1 6.729 0.003 . 2 . . . A 95 GLN HE21 . 18447 1 1044 . 1 1 94 94 GLN HE22 H 1 7.383 0.000 . 2 . . . A 95 GLN HE22 . 18447 1 1045 . 1 1 94 94 GLN CA C 13 55.241 0.034 . 1 . . . A 95 GLN CA . 18447 1 1046 . 1 1 94 94 GLN CB C 13 29.321 0.014 . 1 . . . A 95 GLN CB . 18447 1 1047 . 1 1 94 94 GLN CG C 13 33.651 0.047 . 1 . . . A 95 GLN CG . 18447 1 1048 . 1 1 94 94 GLN N N 15 124.562 0.000 . 1 . . . A 95 GLN N . 18447 1 1049 . 1 1 94 94 GLN NE2 N 15 112.929 0.008 . 1 . . . A 95 GLN NE2 . 18447 1 1050 . 1 1 95 95 ILE H H 1 7.760 0.005 . 1 . . . A 96 ILE H . 18447 1 1051 . 1 1 95 95 ILE HA H 1 4.148 0.002 . 1 . . . A 96 ILE HA . 18447 1 1052 . 1 1 95 95 ILE HB H 1 1.607 0.007 . 1 . . . A 96 ILE HB . 18447 1 1053 . 1 1 95 95 ILE HG21 H 1 0.702 0.003 . 1 . . . A 96 ILE HG21 . 18447 1 1054 . 1 1 95 95 ILE HG22 H 1 0.702 0.003 . 1 . . . A 96 ILE HG22 . 18447 1 1055 . 1 1 95 95 ILE HG23 H 1 0.702 0.003 . 1 . . . A 96 ILE HG23 . 18447 1 1056 . 1 1 95 95 ILE CA C 13 57.734 0.071 . 1 . . . A 96 ILE CA . 18447 1 1057 . 1 1 95 95 ILE CB C 13 40.499 0.026 . 1 . . . A 96 ILE CB . 18447 1 1058 . 1 1 95 95 ILE CG2 C 13 16.955 0.025 . 1 . . . A 96 ILE CG2 . 18447 1 1059 . 1 1 95 95 ILE N N 15 121.631 0.000 . 1 . . . A 96 ILE N . 18447 1 1060 . 1 1 96 96 PRO HA H 1 4.256 0.011 . 1 . . . A 97 PRO HA . 18447 1 1061 . 1 1 96 96 PRO HB2 H 1 2.097 0.011 . 2 . . . A 97 PRO HB2 . 18447 1 1062 . 1 1 96 96 PRO HB3 H 1 1.674 0.016 . 2 . . . A 97 PRO HB3 . 18447 1 1063 . 1 1 96 96 PRO HG2 H 1 1.861 0.007 . 2 . . . A 97 PRO HG2 . 18447 1 1064 . 1 1 96 96 PRO HG3 H 1 1.803 0.008 . 2 . . . A 97 PRO HG3 . 18447 1 1065 . 1 1 96 96 PRO HD2 H 1 3.737 0.004 . 2 . . . A 97 PRO HD2 . 18447 1 1066 . 1 1 96 96 PRO HD3 H 1 3.511 0.003 . 2 . . . A 97 PRO HD3 . 18447 1 1067 . 1 1 96 96 PRO CA C 13 62.883 0.085 . 1 . . . A 97 PRO CA . 18447 1 1068 . 1 1 96 96 PRO CB C 13 32.033 0.034 . 1 . . . A 97 PRO CB . 18447 1 1069 . 1 1 96 96 PRO CG C 13 27.256 0.010 . 1 . . . A 97 PRO CG . 18447 1 1070 . 1 1 96 96 PRO CD C 13 50.990 0.002 . 1 . . . A 97 PRO CD . 18447 1 1071 . 1 1 97 97 VAL H H 1 8.160 0.016 . 1 . . . A 98 VAL H . 18447 1 1072 . 1 1 97 97 VAL HA H 1 3.905 0.016 . 1 . . . A 98 VAL HA . 18447 1 1073 . 1 1 97 97 VAL HB H 1 1.861 0.010 . 1 . . . A 98 VAL HB . 18447 1 1074 . 1 1 97 97 VAL HG11 H 1 0.795 0.004 . 1 . . . A 98 VAL HG11 . 18447 1 1075 . 1 1 97 97 VAL HG12 H 1 0.795 0.004 . 1 . . . A 98 VAL HG12 . 18447 1 1076 . 1 1 97 97 VAL HG13 H 1 0.795 0.004 . 1 . . . A 98 VAL HG13 . 18447 1 1077 . 1 1 97 97 VAL CA C 13 62.211 0.005 . 1 . . . A 98 VAL CA . 18447 1 1078 . 1 1 97 97 VAL CB C 13 32.783 0.020 . 1 . . . A 98 VAL CB . 18447 1 1079 . 1 1 97 97 VAL CG1 C 13 20.672 0.009 . 2 . . . A 98 VAL CG1 . 18447 1 1080 . 1 1 97 97 VAL N N 15 121.691 0.000 . 1 . . . A 98 VAL N . 18447 1 1081 . 1 1 98 98 VAL H H 1 8.137 0.008 . 1 . . . A 99 VAL H . 18447 1 1082 . 1 1 98 98 VAL HA H 1 3.926 0.015 . 1 . . . A 99 VAL HA . 18447 1 1083 . 1 1 98 98 VAL HB H 1 1.847 0.016 . 1 . . . A 99 VAL HB . 18447 1 1084 . 1 1 98 98 VAL HG11 H 1 0.738 0.005 . 1 . . . A 99 VAL HG11 . 18447 1 1085 . 1 1 98 98 VAL HG12 H 1 0.738 0.005 . 1 . . . A 99 VAL HG12 . 18447 1 1086 . 1 1 98 98 VAL HG13 H 1 0.738 0.005 . 1 . . . A 99 VAL HG13 . 18447 1 1087 . 1 1 98 98 VAL HG21 H 1 0.736 0.004 . 1 . . . A 99 VAL HG21 . 18447 1 1088 . 1 1 98 98 VAL HG22 H 1 0.736 0.004 . 1 . . . A 99 VAL HG22 . 18447 1 1089 . 1 1 98 98 VAL HG23 H 1 0.736 0.004 . 1 . . . A 99 VAL HG23 . 18447 1 1090 . 1 1 98 98 VAL CA C 13 61.958 0.025 . 1 . . . A 99 VAL CA . 18447 1 1091 . 1 1 98 98 VAL CB C 13 32.710 0.016 . 1 . . . A 99 VAL CB . 18447 1 1092 . 1 1 98 98 VAL CG1 C 13 20.985 0.045 . 2 . . . A 99 VAL CG1 . 18447 1 1093 . 1 1 98 98 VAL CG2 C 13 20.357 0.068 . 2 . . . A 99 VAL CG2 . 18447 1 1094 . 1 1 98 98 VAL N N 15 125.238 0.000 . 1 . . . A 99 VAL N . 18447 1 1095 . 1 1 99 99 GLU H H 1 8.422 0.008 . 1 . . . A 100 GLU H . 18447 1 1096 . 1 1 99 99 GLU HA H 1 4.164 0.005 . 1 . . . A 100 GLU HA . 18447 1 1097 . 1 1 99 99 GLU HB2 H 1 1.840 0.010 . 2 . . . A 100 GLU HB2 . 18447 1 1098 . 1 1 99 99 GLU HB3 H 1 1.710 0.006 . 2 . . . A 100 GLU HB3 . 18447 1 1099 . 1 1 99 99 GLU HG2 H 1 2.093 0.011 . 2 . . . A 100 GLU HG2 . 18447 1 1100 . 1 1 99 99 GLU HG3 H 1 2.033 0.010 . 2 . . . A 100 GLU HG3 . 18447 1 1101 . 1 1 99 99 GLU CA C 13 56.114 0.011 . 1 . . . A 100 GLU CA . 18447 1 1102 . 1 1 99 99 GLU CB C 13 30.237 0.039 . 1 . . . A 100 GLU CB . 18447 1 1103 . 1 1 99 99 GLU CG C 13 36.090 0.018 . 1 . . . A 100 GLU CG . 18447 1 1104 . 1 1 99 99 GLU N N 15 125.983 0.000 . 1 . . . A 100 GLU N . 18447 1 1105 . 1 1 100 100 VAL H H 1 8.139 0.007 . 1 . . . A 101 VAL H . 18447 1 1106 . 1 1 100 100 VAL HA H 1 3.940 0.005 . 1 . . . A 101 VAL HA . 18447 1 1107 . 1 1 100 100 VAL HB H 1 1.880 0.009 . 1 . . . A 101 VAL HB . 18447 1 1108 . 1 1 100 100 VAL HG11 H 1 0.734 0.008 . 1 . . . A 101 VAL HG11 . 18447 1 1109 . 1 1 100 100 VAL HG12 H 1 0.734 0.008 . 1 . . . A 101 VAL HG12 . 18447 1 1110 . 1 1 100 100 VAL HG13 H 1 0.734 0.008 . 1 . . . A 101 VAL HG13 . 18447 1 1111 . 1 1 100 100 VAL HG21 H 1 0.736 0.004 . 1 . . . A 101 VAL HG21 . 18447 1 1112 . 1 1 100 100 VAL HG22 H 1 0.736 0.004 . 1 . . . A 101 VAL HG22 . 18447 1 1113 . 1 1 100 100 VAL HG23 H 1 0.736 0.004 . 1 . . . A 101 VAL HG23 . 18447 1 1114 . 1 1 100 100 VAL CA C 13 61.958 0.025 . 1 . . . A 101 VAL CA . 18447 1 1115 . 1 1 100 100 VAL CB C 13 32.864 0.064 . 1 . . . A 101 VAL CB . 18447 1 1116 . 1 1 100 100 VAL CG1 C 13 21.016 0.011 . 2 . . . A 101 VAL CG1 . 18447 1 1117 . 1 1 100 100 VAL CG2 C 13 20.318 0.017 . 2 . . . A 101 VAL CG2 . 18447 1 1118 . 1 1 100 100 VAL N N 15 121.199 0.000 . 1 . . . A 101 VAL N . 18447 1 1119 . 1 1 101 101 ASP H H 1 8.265 0.004 . 1 . . . A 102 ASP H . 18447 1 1120 . 1 1 101 101 ASP HA H 1 4.404 0.012 . 1 . . . A 102 ASP HA . 18447 1 1121 . 1 1 101 101 ASP HB2 H 1 2.486 0.007 . 2 . . . A 102 ASP HB2 . 18447 1 1122 . 1 1 101 101 ASP HB3 H 1 2.378 0.005 . 2 . . . A 102 ASP HB3 . 18447 1 1123 . 1 1 101 101 ASP CA C 13 54.229 0.003 . 1 . . . A 102 ASP CA . 18447 1 1124 . 1 1 101 101 ASP CB C 13 40.997 0.052 . 1 . . . A 102 ASP CB . 18447 1 1125 . 1 1 101 101 ASP N N 15 123.941 0.000 . 1 . . . A 102 ASP N . 18447 1 1126 . 1 1 102 102 GLU H H 1 8.131 0.005 . 1 . . . A 103 GLU H . 18447 1 1127 . 1 1 102 102 GLU HA H 1 4.163 0.000 . 1 . . . A 103 GLU HA . 18447 1 1128 . 1 1 102 102 GLU HB2 H 1 1.833 0.000 . 2 . . . A 103 GLU HB2 . 18447 1 1129 . 1 1 102 102 GLU HB3 H 1 1.702 0.000 . 2 . . . A 103 GLU HB3 . 18447 1 1130 . 1 1 102 102 GLU HG2 H 1 2.070 0.000 . 2 . . . A 103 GLU HG2 . 18447 1 1131 . 1 1 102 102 GLU HG3 H 1 2.005 0.000 . 2 . . . A 103 GLU HG3 . 18447 1 1132 . 1 1 102 102 GLU CA C 13 56.126 0.000 . 1 . . . A 103 GLU CA . 18447 1 1133 . 1 1 102 102 GLU CB C 13 30.331 0.006 . 1 . . . A 103 GLU CB . 18447 1 1134 . 1 1 102 102 GLU CG C 13 36.055 0.018 . 1 . . . A 103 GLU CG . 18447 1 1135 . 1 1 102 102 GLU N N 15 121.199 0.000 . 1 . . . A 103 GLU N . 18447 1 1136 . 1 1 103 103 LEU H H 1 8.200 0.004 . 1 . . . A 104 LEU H . 18447 1 1137 . 1 1 103 103 LEU HA H 1 4.351 0.003 . 1 . . . A 104 LEU HA . 18447 1 1138 . 1 1 103 103 LEU HB2 H 1 1.397 0.004 . 2 . . . A 104 LEU HB2 . 18447 1 1139 . 1 1 103 103 LEU HB3 H 1 1.182 0.010 . 2 . . . A 104 LEU HB3 . 18447 1 1140 . 1 1 103 103 LEU HG H 1 1.413 0.005 . 1 . . . A 104 LEU HG . 18447 1 1141 . 1 1 103 103 LEU HD11 H 1 0.635 0.003 . 1 . . . A 104 LEU HD11 . 18447 1 1142 . 1 1 103 103 LEU HD12 H 1 0.635 0.003 . 1 . . . A 104 LEU HD12 . 18447 1 1143 . 1 1 103 103 LEU HD13 H 1 0.635 0.003 . 1 . . . A 104 LEU HD13 . 18447 1 1144 . 1 1 103 103 LEU HD21 H 1 0.570 0.004 . 1 . . . A 104 LEU HD21 . 18447 1 1145 . 1 1 103 103 LEU HD22 H 1 0.570 0.004 . 1 . . . A 104 LEU HD22 . 18447 1 1146 . 1 1 103 103 LEU HD23 H 1 0.570 0.004 . 1 . . . A 104 LEU HD23 . 18447 1 1147 . 1 1 103 103 LEU CA C 13 52.751 0.013 . 1 . . . A 104 LEU CA . 18447 1 1148 . 1 1 103 103 LEU CB C 13 41.410 0.008 . 1 . . . A 104 LEU CB . 18447 1 1149 . 1 1 103 103 LEU CG C 13 26.706 0.020 . 1 . . . A 104 LEU CG . 18447 1 1150 . 1 1 103 103 LEU CD1 C 13 24.970 0.025 . 2 . . . A 104 LEU CD1 . 18447 1 1151 . 1 1 103 103 LEU CD2 C 13 22.924 0.006 . 2 . . . A 104 LEU CD2 . 18447 1 1152 . 1 1 103 103 LEU N N 15 125.012 0.000 . 1 . . . A 104 LEU N . 18447 1 1153 . 1 1 104 104 PRO HA H 1 4.238 0.003 . 1 . . . A 105 PRO HA . 18447 1 1154 . 1 1 104 104 PRO HB2 H 1 2.121 0.006 . 2 . . . A 105 PRO HB2 . 18447 1 1155 . 1 1 104 104 PRO HB3 H 1 1.714 0.013 . 2 . . . A 105 PRO HB3 . 18447 1 1156 . 1 1 104 104 PRO HG2 H 1 1.818 0.004 . 2 . . . A 105 PRO HG2 . 18447 1 1157 . 1 1 104 104 PRO HG3 H 1 1.818 0.004 . 2 . . . A 105 PRO HG3 . 18447 1 1158 . 1 1 104 104 PRO HD2 H 1 3.619 0.005 . 2 . . . A 105 PRO HD2 . 18447 1 1159 . 1 1 104 104 PRO HD3 H 1 3.300 0.005 . 2 . . . A 105 PRO HD3 . 18447 1 1160 . 1 1 104 104 PRO CA C 13 62.776 0.028 . 1 . . . A 105 PRO CA . 18447 1 1161 . 1 1 104 104 PRO CB C 13 31.948 0.012 . 1 . . . A 105 PRO CB . 18447 1 1162 . 1 1 104 104 PRO CG C 13 27.273 0.004 . 1 . . . A 105 PRO CG . 18447 1 1163 . 1 1 104 104 PRO CD C 13 50.361 0.012 . 1 . . . A 105 PRO CD . 18447 1 1164 . 1 1 105 105 GLU H H 1 8.459 0.008 . 1 . . . A 106 GLU H . 18447 1 1165 . 1 1 105 105 GLU HA H 1 4.008 0.008 . 1 . . . A 106 GLU HA . 18447 1 1166 . 1 1 105 105 GLU HB2 H 1 1.816 0.010 . 2 . . . A 106 GLU HB2 . 18447 1 1167 . 1 1 105 105 GLU HB3 H 1 1.816 0.010 . 2 . . . A 106 GLU HB3 . 18447 1 1168 . 1 1 105 105 GLU HG2 H 1 2.093 0.011 . 2 . . . A 106 GLU HG2 . 18447 1 1169 . 1 1 105 105 GLU HG3 H 1 2.093 0.011 . 2 . . . A 106 GLU HG3 . 18447 1 1170 . 1 1 105 105 GLU CA C 13 57.199 0.003 . 1 . . . A 106 GLU CA . 18447 1 1171 . 1 1 105 105 GLU CB C 13 29.790 0.050 . 1 . . . A 106 GLU CB . 18447 1 1172 . 1 1 105 105 GLU CG C 13 36.073 0.016 . 1 . . . A 106 GLU CG . 18447 1 1173 . 1 1 105 105 GLU N N 15 121.351 0.000 . 1 . . . A 106 GLU N . 18447 1 1174 . 1 1 106 106 GLY H H 1 8.479 0.006 . 1 . . . A 107 GLY H . 18447 1 1175 . 1 1 106 106 GLY HA2 H 1 3.818 0.005 . 2 . . . A 107 GLY HA2 . 18447 1 1176 . 1 1 106 106 GLY HA3 H 1 3.666 0.010 . 2 . . . A 107 GLY HA3 . 18447 1 1177 . 1 1 106 106 GLY CA C 13 45.140 0.025 . 1 . . . A 107 GLY CA . 18447 1 1178 . 1 1 106 106 GLY N N 15 110.854 0.000 . 1 . . . A 107 GLY N . 18447 1 1179 . 1 1 107 107 TYR H H 1 7.738 0.004 . 1 . . . A 108 TYR H . 18447 1 1180 . 1 1 107 107 TYR HA H 1 4.239 0.003 . 1 . . . A 108 TYR HA . 18447 1 1181 . 1 1 107 107 TYR HB2 H 1 2.832 0.006 . 2 . . . A 108 TYR HB2 . 18447 1 1182 . 1 1 107 107 TYR HB3 H 1 2.832 0.006 . 2 . . . A 108 TYR HB3 . 18447 1 1183 . 1 1 107 107 TYR HD1 H 1 6.900 0.000 . 3 . . . A 108 TYR HD1 . 18447 1 1184 . 1 1 107 107 TYR HD2 H 1 6.900 0.000 . 3 . . . A 108 TYR HD2 . 18447 1 1185 . 1 1 107 107 TYR HE1 H 1 6.626 0.000 . 3 . . . A 108 TYR HE1 . 18447 1 1186 . 1 1 107 107 TYR HE2 H 1 6.626 0.000 . 3 . . . A 108 TYR HE2 . 18447 1 1187 . 1 1 107 107 TYR CA C 13 58.296 0.019 . 1 . . . A 108 TYR CA . 18447 1 1188 . 1 1 107 107 TYR CB C 13 38.696 0.005 . 1 . . . A 108 TYR CB . 18447 1 1189 . 1 1 107 107 TYR CD2 C 13 133.147 0.000 . 3 . . . A 108 TYR CD2 . 18447 1 1190 . 1 1 107 107 TYR CE2 C 13 118.075 0.000 . 3 . . . A 108 TYR CE2 . 18447 1 1191 . 1 1 107 107 TYR N N 15 120.291 0.000 . 1 . . . A 108 TYR N . 18447 1 1192 . 1 1 108 108 ASP H H 1 8.173 0.010 . 1 . . . A 109 ASP H . 18447 1 1193 . 1 1 108 108 ASP HA H 1 4.364 0.003 . 1 . . . A 109 ASP HA . 18447 1 1194 . 1 1 108 108 ASP HB2 H 1 2.484 0.005 . 2 . . . A 109 ASP HB2 . 18447 1 1195 . 1 1 108 108 ASP HB3 H 1 2.386 0.006 . 2 . . . A 109 ASP HB3 . 18447 1 1196 . 1 1 108 108 ASP CA C 13 53.613 0.003 . 1 . . . A 109 ASP CA . 18447 1 1197 . 1 1 108 108 ASP CB C 13 40.842 0.019 . 1 . . . A 109 ASP CB . 18447 1 1198 . 1 1 108 108 ASP N N 15 122.623 0.000 . 1 . . . A 109 ASP N . 18447 1 1199 . 1 1 109 109 ARG H H 1 8.194 0.011 . 1 . . . A 110 ARG H . 18447 1 1200 . 1 1 109 109 ARG HA H 1 4.061 0.007 . 1 . . . A 110 ARG HA . 18447 1 1201 . 1 1 109 109 ARG HB2 H 1 1.755 0.008 . 2 . . . A 110 ARG HB2 . 18447 1 1202 . 1 1 109 109 ARG HB3 H 1 1.598 0.007 . 2 . . . A 110 ARG HB3 . 18447 1 1203 . 1 1 109 109 ARG HG2 H 1 1.468 0.008 . 2 . . . A 110 ARG HG2 . 18447 1 1204 . 1 1 109 109 ARG HG3 H 1 1.468 0.008 . 2 . . . A 110 ARG HG3 . 18447 1 1205 . 1 1 109 109 ARG HD2 H 1 3.019 0.005 . 2 . . . A 110 ARG HD2 . 18447 1 1206 . 1 1 109 109 ARG HD3 H 1 3.019 0.005 . 2 . . . A 110 ARG HD3 . 18447 1 1207 . 1 1 109 109 ARG CA C 13 56.612 0.003 . 1 . . . A 110 ARG CA . 18447 1 1208 . 1 1 109 109 ARG CB C 13 30.120 0.058 . 1 . . . A 110 ARG CB . 18447 1 1209 . 1 1 109 109 ARG CG C 13 27.108 0.037 . 1 . . . A 110 ARG CG . 18447 1 1210 . 1 1 109 109 ARG CD C 13 43.175 0.013 . 1 . . . A 110 ARG CD . 18447 1 1211 . 1 1 109 109 ARG N N 15 123.275 0.000 . 1 . . . A 110 ARG N . 18447 1 1212 . 1 1 110 110 SER H H 1 8.245 0.008 . 1 . . . A 111 SER H . 18447 1 1213 . 1 1 110 110 SER HA H 1 4.173 0.001 . 1 . . . A 111 SER HA . 18447 1 1214 . 1 1 110 110 SER HB2 H 1 3.751 0.001 . 2 . . . A 111 SER HB2 . 18447 1 1215 . 1 1 110 110 SER HB3 H 1 3.721 0.001 . 2 . . . A 111 SER HB3 . 18447 1 1216 . 1 1 110 110 SER CA C 13 59.185 0.022 . 1 . . . A 111 SER CA . 18447 1 1217 . 1 1 110 110 SER CB C 13 63.517 0.012 . 1 . . . A 111 SER CB . 18447 1 1218 . 1 1 110 110 SER N N 15 116.524 0.000 . 1 . . . A 111 SER N . 18447 1 1219 . 2 2 1 1 ALA HA H 1 3.910 0.004 . 1 . . . B 701 ALA HA . 18447 1 1220 . 2 2 1 1 ALA HB1 H 1 1.326 0.003 . 1 . . . B 701 ALA HB1 . 18447 1 1221 . 2 2 1 1 ALA HB2 H 1 1.326 0.003 . 1 . . . B 701 ALA HB2 . 18447 1 1222 . 2 2 1 1 ALA HB3 H 1 1.326 0.003 . 1 . . . B 701 ALA HB3 . 18447 1 1223 . 2 2 2 2 ASP HA H 1 4.503 0.004 . 1 . . . B 702 ASP HA . 18447 1 1224 . 2 2 2 2 ASP HB2 H 1 2.528 0.008 . 2 . . . B 702 ASP HB2 . 18447 1 1225 . 2 2 2 2 ASP HB3 H 1 2.394 0.006 . 2 . . . B 702 ASP HB3 . 18447 1 1226 . 2 2 3 3 THR H H 1 8.022 0.002 . 1 . . . B 703 THR H . 18447 1 1227 . 2 2 3 3 THR HA H 1 4.011 0.004 . 1 . . . B 703 THR HA . 18447 1 1228 . 2 2 3 3 THR HB H 1 4.064 0.004 . 1 . . . B 703 THR HB . 18447 1 1229 . 2 2 3 3 THR HG21 H 1 1.006 0.005 . 1 . . . B 703 THR HG21 . 18447 1 1230 . 2 2 3 3 THR HG22 H 1 1.006 0.005 . 1 . . . B 703 THR HG22 . 18447 1 1231 . 2 2 3 3 THR HG23 H 1 1.006 0.005 . 1 . . . B 703 THR HG23 . 18447 1 1232 . 2 2 4 4 GLU H H 1 8.459 0.003 . 1 . . . B 704 GLU H . 18447 1 1233 . 2 2 4 4 GLU HA H 1 3.909 0.003 . 1 . . . B 704 GLU HA . 18447 1 1234 . 2 2 4 4 GLU HB2 H 1 1.799 0.004 . 2 . . . B 704 GLU HB2 . 18447 1 1235 . 2 2 4 4 GLU HB3 H 1 1.799 0.004 . 2 . . . B 704 GLU HB3 . 18447 1 1236 . 2 2 4 4 GLU HG2 H 1 2.048 0.006 . 2 . . . B 704 GLU HG2 . 18447 1 1237 . 2 2 4 4 GLU HG3 H 1 2.048 0.006 . 2 . . . B 704 GLU HG3 . 18447 1 1238 . 2 2 5 5 MET H H 1 7.775 0.003 . 1 . . . B 705 MET H . 18447 1 1239 . 2 2 5 5 MET HA H 1 3.909 0.002 . 1 . . . B 705 MET HA . 18447 1 1240 . 2 2 5 5 MET HB2 H 1 1.983 0.000 . 2 . . . B 705 MET HB2 . 18447 1 1241 . 2 2 5 5 MET HB3 H 1 1.983 0.000 . 2 . . . B 705 MET HB3 . 18447 1 1242 . 2 2 5 5 MET HG2 H 1 2.317 0.001 . 2 . . . B 705 MET HG2 . 18447 1 1243 . 2 2 5 5 MET HG3 H 1 2.104 0.000 . 2 . . . B 705 MET HG3 . 18447 1 1244 . 2 2 5 5 MET HE1 H 1 1.734 0.005 . 1 . . . B 705 MET HE1 . 18447 1 1245 . 2 2 5 5 MET HE2 H 1 1.734 0.005 . 1 . . . B 705 MET HE2 . 18447 1 1246 . 2 2 5 5 MET HE3 H 1 1.734 0.005 . 1 . . . B 705 MET HE3 . 18447 1 1247 . 2 2 6 6 GLU H H 1 7.719 0.007 . 1 . . . B 706 GLU H . 18447 1 1248 . 2 2 6 6 GLU HA H 1 4.661 0.002 . 1 . . . B 706 GLU HA . 18447 1 1249 . 2 2 6 6 GLU HB2 H 1 1.997 0.002 . 2 . . . B 706 GLU HB2 . 18447 1 1250 . 2 2 6 6 GLU HB3 H 1 1.696 0.001 . 2 . . . B 706 GLU HB3 . 18447 1 1251 . 2 2 6 6 GLU HG2 H 1 2.304 0.010 . 2 . . . B 706 GLU HG2 . 18447 1 1252 . 2 2 6 6 GLU HG3 H 1 2.134 0.009 . 2 . . . B 706 GLU HG3 . 18447 1 1253 . 2 2 7 7 GLU H H 1 6.946 0.007 . 1 . . . B 707 GLU H . 18447 1 1254 . 2 2 7 7 GLU HA H 1 4.445 0.003 . 1 . . . B 707 GLU HA . 18447 1 1255 . 2 2 7 7 GLU HB2 H 1 1.799 0.004 . 2 . . . B 707 GLU HB2 . 18447 1 1256 . 2 2 7 7 GLU HB3 H 1 1.689 0.005 . 2 . . . B 707 GLU HB3 . 18447 1 1257 . 2 2 7 7 GLU HG2 H 1 2.317 0.008 . 2 . . . B 707 GLU HG2 . 18447 1 1258 . 2 2 7 7 GLU HG3 H 1 2.104 0.006 . 2 . . . B 707 GLU HG3 . 18447 1 1259 . 2 2 8 8 VAL H H 1 7.862 0.011 . 1 . . . B 708 VAL H . 18447 1 1260 . 2 2 8 8 VAL HA H 1 3.785 0.003 . 1 . . . B 708 VAL HA . 18447 1 1261 . 2 2 8 8 VAL HB H 1 1.572 0.004 . 1 . . . B 708 VAL HB . 18447 1 1262 . 2 2 8 8 VAL HG11 H 1 0.381 0.002 . 1 . . . B 708 VAL HG11 . 18447 1 1263 . 2 2 8 8 VAL HG12 H 1 0.381 0.002 . 1 . . . B 708 VAL HG12 . 18447 1 1264 . 2 2 8 8 VAL HG13 H 1 0.381 0.002 . 1 . . . B 708 VAL HG13 . 18447 1 1265 . 2 2 8 8 VAL HG21 H 1 -0.265 0.004 . 1 . . . B 708 VAL HG21 . 18447 1 1266 . 2 2 8 8 VAL HG22 H 1 -0.265 0.004 . 1 . . . B 708 VAL HG22 . 18447 1 1267 . 2 2 8 8 VAL HG23 H 1 -0.265 0.004 . 1 . . . B 708 VAL HG23 . 18447 1 1268 . 2 2 9 9 ASP H H 1 7.894 0.008 . 1 . . . B 709 ASP H . 18447 1 1269 . 2 2 9 9 ASP HA H 1 4.343 0.008 . 1 . . . B 709 ASP HA . 18447 1 1270 . 2 2 9 9 ASP HB2 H 1 2.472 0.004 . 2 . . . B 709 ASP HB2 . 18447 1 1271 . 2 2 9 9 ASP HB3 H 1 1.867 0.003 . 2 . . . B 709 ASP HB3 . 18447 1 stop_ save_