data_5695 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5695 _Entry.Title ; Solution Structure of the Product of the S. Cerevisiae YHR087W Gene, Northeast Structural Genomics Consortium target YTYst425 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-14 _Entry.Accession_date 2003-02-17 _Entry.Last_release_date 2003-04-30 _Entry.Original_release_date 2003-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 John Cort . R. . 5695 2 Adelinda Yee . . . 5695 3 Cheryl Arrowsmith . H. . 5695 4 Michael Kennedy . A. . 5695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5695 coupling_constants 1 5695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 547 5695 '13C chemical shifts' 355 5695 '15N chemical shifts' 78 5695 'coupling constants' 60 5695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-04-30 2003-02-14 original author . 5695 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5695 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the Product of the S. Cerevisiae YHR087W Gene' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 5695 1 2 Adelinda Yee . . . 5695 1 3 Cheryl Arrowsmith . H. . 5695 1 4 Michael Kennedy . A. . 5695 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID YHR087W 5695 1 'YHO7 YEAST' 5695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YHO7_YEAST _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YHO7_YEAST _Assembly.Entry_ID 5695 _Assembly.ID 1 _Assembly.Name 'YHR087W gene product' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5695 1 stop_ 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 YHRO87W 1 $YHR087W . . . native . . . . . 5695 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NYN . . . . . . 5695 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'YHR087W gene product' system 5695 1 YHO7_YEAST abbreviation 5695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YHR087W _Entity.Sf_category entity _Entity.Sf_framecode YHR087W _Entity.Entry_ID 5695 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YHR087W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSTVTKYFYKGENTDLIVFA ASEELVDEYLKNPSIGKLSE VVELFEVFTPQDGRGAEGEL GAASKAQVENEFGKGKKIEE VIDLILRNGKPNSTTSSLKT KGGNAGTKAYN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein contains a N-term His tag of 20 residues. The molecular mass of 12000 is for the natural sequences only. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NYN . "Solution Nmr Structure Of Protein Yhr087w From Saccharomyces Cerevisiae. Northeast Structural Genomics Consortium Target Ytyst4" . . . . . 100.00 131 100.00 100.00 1.11e-88 . . . . 5695 1 2 no DBJ GAA23805 . "K7_Yhr087wp [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 3 no EMBL CAY80098 . "EC1118_1H13_0507p [Saccharomyces cerevisiae EC1118]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 4 no GB AAB68927 . "Yhr087wp [Saccharomyces cerevisiae]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 5 no GB AAS56171 . "YHR087W [Saccharomyces cerevisiae]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 6 no GB AHY77788 . "Rtc3p [Saccharomyces cerevisiae YJM993]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 7 no GB EDN62328 . "conserved protein [Saccharomyces cerevisiae YJM789]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 8 no GB EDV09136 . "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 9 no REF NP_011955 . "Rtc3p [Saccharomyces cerevisiae S288c]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 10 no SP P38804 . "RecName: Full=Restriction of telomere capping protein 3 [Saccharomyces cerevisiae S288c]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 11 no TPG DAA06783 . "TPA: Rtc3p [Saccharomyces cerevisiae S288c]" . . . . . 84.73 111 100.00 100.00 3.43e-72 . . . . 5695 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YHR087W common 5695 1 YHR087W abbreviation 5695 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 -19 MET . 5695 1 2 -18 GLY . 5695 1 3 -17 SER . 5695 1 4 -16 SER . 5695 1 5 -15 HIS . 5695 1 6 -14 HIS . 5695 1 7 -13 HIS . 5695 1 8 -12 HIS . 5695 1 9 -11 HIS . 5695 1 10 -10 HIS . 5695 1 11 -9 SER . 5695 1 12 -8 SER . 5695 1 13 -7 GLY . 5695 1 14 -6 LEU . 5695 1 15 -5 VAL . 5695 1 16 -4 PRO . 5695 1 17 -3 ARG . 5695 1 18 -2 GLY . 5695 1 19 -1 SER . 5695 1 20 0 HIS . 5695 1 21 1 MET . 5695 1 22 2 SER . 5695 1 23 3 THR . 5695 1 24 4 VAL . 5695 1 25 5 THR . 5695 1 26 6 LYS . 5695 1 27 7 TYR . 5695 1 28 8 PHE . 5695 1 29 9 TYR . 5695 1 30 10 LYS . 5695 1 31 11 GLY . 5695 1 32 12 GLU . 5695 1 33 13 ASN . 5695 1 34 14 THR . 5695 1 35 15 ASP . 5695 1 36 16 LEU . 5695 1 37 17 ILE . 5695 1 38 18 VAL . 5695 1 39 19 PHE . 5695 1 40 20 ALA . 5695 1 41 21 ALA . 5695 1 42 22 SER . 5695 1 43 23 GLU . 5695 1 44 24 GLU . 5695 1 45 25 LEU . 5695 1 46 26 VAL . 5695 1 47 27 ASP . 5695 1 48 28 GLU . 5695 1 49 29 TYR . 5695 1 50 30 LEU . 5695 1 51 31 LYS . 5695 1 52 32 ASN . 5695 1 53 33 PRO . 5695 1 54 34 SER . 5695 1 55 35 ILE . 5695 1 56 36 GLY . 5695 1 57 37 LYS . 5695 1 58 38 LEU . 5695 1 59 39 SER . 5695 1 60 40 GLU . 5695 1 61 41 VAL . 5695 1 62 42 VAL . 5695 1 63 43 GLU . 5695 1 64 44 LEU . 5695 1 65 45 PHE . 5695 1 66 46 GLU . 5695 1 67 47 VAL . 5695 1 68 48 PHE . 5695 1 69 49 THR . 5695 1 70 50 PRO . 5695 1 71 51 GLN . 5695 1 72 52 ASP . 5695 1 73 53 GLY . 5695 1 74 54 ARG . 5695 1 75 55 GLY . 5695 1 76 56 ALA . 5695 1 77 57 GLU . 5695 1 78 58 GLY . 5695 1 79 59 GLU . 5695 1 80 60 LEU . 5695 1 81 61 GLY . 5695 1 82 62 ALA . 5695 1 83 63 ALA . 5695 1 84 64 SER . 5695 1 85 65 LYS . 5695 1 86 66 ALA . 5695 1 87 67 GLN . 5695 1 88 68 VAL . 5695 1 89 69 GLU . 5695 1 90 70 ASN . 5695 1 91 71 GLU . 5695 1 92 72 PHE . 5695 1 93 73 GLY . 5695 1 94 74 LYS . 5695 1 95 75 GLY . 5695 1 96 76 LYS . 5695 1 97 77 LYS . 5695 1 98 78 ILE . 5695 1 99 79 GLU . 5695 1 100 80 GLU . 5695 1 101 81 VAL . 5695 1 102 82 ILE . 5695 1 103 83 ASP . 5695 1 104 84 LEU . 5695 1 105 85 ILE . 5695 1 106 86 LEU . 5695 1 107 87 ARG . 5695 1 108 88 ASN . 5695 1 109 89 GLY . 5695 1 110 90 LYS . 5695 1 111 91 PRO . 5695 1 112 92 ASN . 5695 1 113 93 SER . 5695 1 114 94 THR . 5695 1 115 95 THR . 5695 1 116 96 SER . 5695 1 117 97 SER . 5695 1 118 98 LEU . 5695 1 119 99 LYS . 5695 1 120 100 THR . 5695 1 121 101 LYS . 5695 1 122 102 GLY . 5695 1 123 103 GLY . 5695 1 124 104 ASN . 5695 1 125 105 ALA . 5695 1 126 106 GLY . 5695 1 127 107 THR . 5695 1 128 108 LYS . 5695 1 129 109 ALA . 5695 1 130 110 TYR . 5695 1 131 111 ASN . 5695 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5695 1 . GLY 2 2 5695 1 . SER 3 3 5695 1 . SER 4 4 5695 1 . HIS 5 5 5695 1 . HIS 6 6 5695 1 . HIS 7 7 5695 1 . HIS 8 8 5695 1 . HIS 9 9 5695 1 . HIS 10 10 5695 1 . SER 11 11 5695 1 . SER 12 12 5695 1 . GLY 13 13 5695 1 . LEU 14 14 5695 1 . VAL 15 15 5695 1 . PRO 16 16 5695 1 . ARG 17 17 5695 1 . GLY 18 18 5695 1 . SER 19 19 5695 1 . HIS 20 20 5695 1 . MET 21 21 5695 1 . SER 22 22 5695 1 . THR 23 23 5695 1 . VAL 24 24 5695 1 . THR 25 25 5695 1 . LYS 26 26 5695 1 . TYR 27 27 5695 1 . PHE 28 28 5695 1 . TYR 29 29 5695 1 . LYS 30 30 5695 1 . GLY 31 31 5695 1 . GLU 32 32 5695 1 . ASN 33 33 5695 1 . THR 34 34 5695 1 . ASP 35 35 5695 1 . LEU 36 36 5695 1 . ILE 37 37 5695 1 . VAL 38 38 5695 1 . PHE 39 39 5695 1 . ALA 40 40 5695 1 . ALA 41 41 5695 1 . SER 42 42 5695 1 . GLU 43 43 5695 1 . GLU 44 44 5695 1 . LEU 45 45 5695 1 . VAL 46 46 5695 1 . ASP 47 47 5695 1 . GLU 48 48 5695 1 . TYR 49 49 5695 1 . LEU 50 50 5695 1 . LYS 51 51 5695 1 . ASN 52 52 5695 1 . PRO 53 53 5695 1 . SER 54 54 5695 1 . ILE 55 55 5695 1 . GLY 56 56 5695 1 . LYS 57 57 5695 1 . LEU 58 58 5695 1 . SER 59 59 5695 1 . GLU 60 60 5695 1 . VAL 61 61 5695 1 . VAL 62 62 5695 1 . GLU 63 63 5695 1 . LEU 64 64 5695 1 . PHE 65 65 5695 1 . GLU 66 66 5695 1 . VAL 67 67 5695 1 . PHE 68 68 5695 1 . THR 69 69 5695 1 . PRO 70 70 5695 1 . GLN 71 71 5695 1 . ASP 72 72 5695 1 . GLY 73 73 5695 1 . ARG 74 74 5695 1 . GLY 75 75 5695 1 . ALA 76 76 5695 1 . GLU 77 77 5695 1 . GLY 78 78 5695 1 . GLU 79 79 5695 1 . LEU 80 80 5695 1 . GLY 81 81 5695 1 . ALA 82 82 5695 1 . ALA 83 83 5695 1 . SER 84 84 5695 1 . LYS 85 85 5695 1 . ALA 86 86 5695 1 . GLN 87 87 5695 1 . VAL 88 88 5695 1 . GLU 89 89 5695 1 . ASN 90 90 5695 1 . GLU 91 91 5695 1 . PHE 92 92 5695 1 . GLY 93 93 5695 1 . LYS 94 94 5695 1 . GLY 95 95 5695 1 . LYS 96 96 5695 1 . LYS 97 97 5695 1 . ILE 98 98 5695 1 . GLU 99 99 5695 1 . GLU 100 100 5695 1 . VAL 101 101 5695 1 . ILE 102 102 5695 1 . ASP 103 103 5695 1 . LEU 104 104 5695 1 . ILE 105 105 5695 1 . LEU 106 106 5695 1 . ARG 107 107 5695 1 . ASN 108 108 5695 1 . GLY 109 109 5695 1 . LYS 110 110 5695 1 . PRO 111 111 5695 1 . ASN 112 112 5695 1 . SER 113 113 5695 1 . THR 114 114 5695 1 . THR 115 115 5695 1 . SER 116 116 5695 1 . SER 117 117 5695 1 . LEU 118 118 5695 1 . LYS 119 119 5695 1 . THR 120 120 5695 1 . LYS 121 121 5695 1 . GLY 122 122 5695 1 . GLY 123 123 5695 1 . ASN 124 124 5695 1 . ALA 125 125 5695 1 . GLY 126 126 5695 1 . THR 127 127 5695 1 . LYS 128 128 5695 1 . ALA 129 129 5695 1 . TYR 130 130 5695 1 . ASN 131 131 5695 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5695 _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 $YHR087W . 4932 organism . 'Saccharomyces cerevisiae' Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . YHR087W . . . . 5695 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 5695 _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 $YHR087W . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5695 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5695 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 YHR087W '[U-13C; U-15N]' . . 1 $YHR087W . . 1 . . mM . . . . 5695 1 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 5695 1 3 'sodium chloride' . . . . . . . 300 . . mM . . . . 5695 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5695 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 YHR087W '[U-10% 13C; 99%-15N]' . . 1 $YHR087W . . 1 . . mM . . . . 5695 2 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 5695 2 3 'sodium chloride' . . . . . . . 300 . . mM . . . . 5695 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5695 _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 pH 5.0 0.2 n/a 5695 1 temperature 298 1 K 5695 1 'ionic strength' 0.31 0.02 M 5695 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5695 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5695 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5695 _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 NMR_spectrometer_1 Varian Inova . 750 . . . 5695 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 5695 1 3 NMR_spectrometer_3 Varian Unity . 600 . . . 5695 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 5695 _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 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 3 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 4 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 5 HCC-TOCSY-NNH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 6 CCC-TOCSY-NNH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 7 CBCACOCAHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5695 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5695 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5695 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5695 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5695 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5695 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5695 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5695 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 22 22 SER HA H 1 4.47 0.02 . 1 . . . . 2 . . . 5695 1 2 . 1 1 22 22 SER HB2 H 1 3.89 0.02 . 2 . . . . 2 . . . 5695 1 3 . 1 1 22 22 SER CA C 13 58.6 0.2 . 1 . . . . 2 . . . 5695 1 4 . 1 1 22 22 SER CB C 13 64.0 0.2 . 1 . . . . 2 . . . 5695 1 5 . 1 1 23 23 THR C C 13 174.0 0.2 . 1 . . . . 3 . . . 5695 1 6 . 1 1 23 23 THR CA C 13 61.8 0.2 . 1 . . . . 3 . . . 5695 1 7 . 1 1 23 23 THR CB C 13 70.1 0.2 . 1 . . . . 3 . . . 5695 1 8 . 1 1 24 24 VAL H H 1 7.93 0.02 . 1 . . . . 4 . . . 5695 1 9 . 1 1 24 24 VAL HA H 1 4.53 0.02 . 1 . . . . 4 . . . 5695 1 10 . 1 1 24 24 VAL HB H 1 2.12 0.02 . 1 . . . . 4 . . . 5695 1 11 . 1 1 24 24 VAL HG11 H 1 0.95 0.02 . 1 . . . . 4 . . . 5695 1 12 . 1 1 24 24 VAL HG12 H 1 0.95 0.02 . 1 . . . . 4 . . . 5695 1 13 . 1 1 24 24 VAL HG13 H 1 0.95 0.02 . 1 . . . . 4 . . . 5695 1 14 . 1 1 24 24 VAL HG21 H 1 0.91 0.02 . 1 . . . . 4 . . . 5695 1 15 . 1 1 24 24 VAL HG22 H 1 0.91 0.02 . 1 . . . . 4 . . . 5695 1 16 . 1 1 24 24 VAL HG23 H 1 0.91 0.02 . 1 . . . . 4 . . . 5695 1 17 . 1 1 24 24 VAL CA C 13 61.9 0.2 . 1 . . . . 4 . . . 5695 1 18 . 1 1 24 24 VAL CB C 13 33.6 0.2 . 1 . . . . 4 . . . 5695 1 19 . 1 1 24 24 VAL CG1 C 13 21.7 0.2 . 1 . . . . 4 . . . 5695 1 20 . 1 1 24 24 VAL CG2 C 13 21.0 0.2 . 1 . . . . 4 . . . 5695 1 21 . 1 1 24 24 VAL N N 15 120.9 0.2 . 1 . . . . 4 . . . 5695 1 22 . 1 1 25 25 THR H H 1 9.05 0.02 . 1 . . . . 5 . . . 5695 1 23 . 1 1 25 25 THR HA H 1 4.64 0.02 . 1 . . . . 5 . . . 5695 1 24 . 1 1 25 25 THR HB H 1 3.92 0.02 . 1 . . . . 5 . . . 5695 1 25 . 1 1 25 25 THR HG21 H 1 1.10 0.02 . 1 . . . . 5 . . . 5695 1 26 . 1 1 25 25 THR HG22 H 1 1.10 0.02 . 1 . . . . 5 . . . 5695 1 27 . 1 1 25 25 THR HG23 H 1 1.10 0.02 . 1 . . . . 5 . . . 5695 1 28 . 1 1 25 25 THR CA C 13 62.3 0.2 . 1 . . . . 5 . . . 5695 1 29 . 1 1 25 25 THR CB C 13 71.3 0.2 . 1 . . . . 5 . . . 5695 1 30 . 1 1 25 25 THR CG2 C 13 22.0 0.2 . 1 . . . . 5 . . . 5695 1 31 . 1 1 25 25 THR N N 15 122.4 0.2 . 1 . . . . 5 . . . 5695 1 32 . 1 1 26 26 LYS H H 1 8.63 0.02 . 1 . . . . 6 . . . 5695 1 33 . 1 1 26 26 LYS HA H 1 4.57 0.02 . 1 . . . . 6 . . . 5695 1 34 . 1 1 26 26 LYS HB2 H 1 1.34 0.02 . 2 . . . . 6 . . . 5695 1 35 . 1 1 26 26 LYS HB3 H 1 1.62 0.02 . 2 . . . . 6 . . . 5695 1 36 . 1 1 26 26 LYS HG2 H 1 0.64 0.02 . 2 . . . . 6 . . . 5695 1 37 . 1 1 26 26 LYS HG3 H 1 1.10 0.02 . 2 . . . . 6 . . . 5695 1 38 . 1 1 26 26 LYS HD2 H 1 1.51 0.02 . 2 . . . . 6 . . . 5695 1 39 . 1 1 26 26 LYS HE2 H 1 2.82 0.02 . 2 . . . . 6 . . . 5695 1 40 . 1 1 26 26 LYS CA C 13 55.7 0.2 . 1 . . . . 6 . . . 5695 1 41 . 1 1 26 26 LYS CB C 13 34.3 0.2 . 1 . . . . 6 . . . 5695 1 42 . 1 1 26 26 LYS CG C 13 25.1 0.2 . 1 . . . . 6 . . . 5695 1 43 . 1 1 26 26 LYS CD C 13 29.9 0.2 . 1 . . . . 6 . . . 5695 1 44 . 1 1 26 26 LYS CE C 13 41.6 0.2 . 1 . . . . 6 . . . 5695 1 45 . 1 1 26 26 LYS N N 15 127.2 0.2 . 1 . . . . 6 . . . 5695 1 46 . 1 1 27 27 TYR H H 1 9.39 0.02 . 1 . . . . 7 . . . 5695 1 47 . 1 1 27 27 TYR HA H 1 4.44 0.02 . 1 . . . . 7 . . . 5695 1 48 . 1 1 27 27 TYR HB2 H 1 2.33 0.02 . 2 . . . . 7 . . . 5695 1 49 . 1 1 27 27 TYR HB3 H 1 2.79 0.02 . 2 . . . . 7 . . . 5695 1 50 . 1 1 27 27 TYR HD1 H 1 6.84 0.02 . 3 . . . . 7 . . . 5695 1 51 . 1 1 27 27 TYR HE1 H 1 6.62 0.02 . 3 . . . . 7 . . . 5695 1 52 . 1 1 27 27 TYR C C 13 173.7 0.2 . 1 . . . . 7 . . . 5695 1 53 . 1 1 27 27 TYR CA C 13 58.7 0.2 . 1 . . . . 7 . . . 5695 1 54 . 1 1 27 27 TYR CB C 13 40.5 0.2 . 1 . . . . 7 . . . 5695 1 55 . 1 1 27 27 TYR CD1 C 13 131.6 0.2 . 3 . . . . 7 . . . 5695 1 56 . 1 1 27 27 TYR CE1 C 13 118.6 0.2 . 3 . . . . 7 . . . 5695 1 57 . 1 1 27 27 TYR N N 15 125.9 0.2 . 1 . . . . 7 . . . 5695 1 58 . 1 1 28 28 PHE H H 1 8.63 0.02 . 1 . . . . 8 . . . 5695 1 59 . 1 1 28 28 PHE HA H 1 4.99 0.02 . 1 . . . . 8 . . . 5695 1 60 . 1 1 28 28 PHE HB2 H 1 2.80 0.02 . 2 . . . . 8 . . . 5695 1 61 . 1 1 28 28 PHE HB3 H 1 3.06 0.02 . 2 . . . . 8 . . . 5695 1 62 . 1 1 28 28 PHE HD1 H 1 7.05 0.02 . 3 . . . . 8 . . . 5695 1 63 . 1 1 28 28 PHE HE1 H 1 7.14 0.02 . 3 . . . . 8 . . . 5695 1 64 . 1 1 28 28 PHE HZ H 1 7.25 0.02 . 1 . . . . 8 . . . 5695 1 65 . 1 1 28 28 PHE C C 13 173.9 0.2 . 1 . . . . 8 . . . 5695 1 66 . 1 1 28 28 PHE CA C 13 56.6 0.2 . 1 . . . . 8 . . . 5695 1 67 . 1 1 28 28 PHE CB C 13 42.8 0.2 . 1 . . . . 8 . . . 5695 1 68 . 1 1 28 28 PHE CD1 C 13 131.8 0.3 . 3 . . . . 8 . . . 5695 1 69 . 1 1 28 28 PHE CE1 C 13 131.4 0.2 . 3 . . . . 8 . . . 5695 1 70 . 1 1 28 28 PHE CZ C 13 129.8 0.2 . 1 . . . . 8 . . . 5695 1 71 . 1 1 28 28 PHE N N 15 122.2 0.2 . 1 . . . . 8 . . . 5695 1 72 . 1 1 29 29 TYR H H 1 9.68 0.02 . 1 . . . . 9 . . . 5695 1 73 . 1 1 29 29 TYR HA H 1 4.70 0.02 . 1 . . . . 9 . . . 5695 1 74 . 1 1 29 29 TYR HB2 H 1 2.79 0.02 . 2 . . . . 9 . . . 5695 1 75 . 1 1 29 29 TYR HB3 H 1 3.11 0.02 . 2 . . . . 9 . . . 5695 1 76 . 1 1 29 29 TYR HD1 H 1 6.81 0.02 . 3 . . . . 9 . . . 5695 1 77 . 1 1 29 29 TYR HE1 H 1 6.65 0.02 . 3 . . . . 9 . . . 5695 1 78 . 1 1 29 29 TYR C C 13 172.1 0.2 . 1 . . . . 9 . . . 5695 1 79 . 1 1 29 29 TYR CA C 13 56.6 0.2 . 1 . . . . 9 . . . 5695 1 80 . 1 1 29 29 TYR CB C 13 41.9 0.2 . 1 . . . . 9 . . . 5695 1 81 . 1 1 29 29 TYR CD1 C 13 132.9 0.2 . 3 . . . . 9 . . . 5695 1 82 . 1 1 29 29 TYR CE1 C 13 118.3 0.2 . 3 . . . . 9 . . . 5695 1 83 . 1 1 29 29 TYR N N 15 131.1 0.2 . 1 . . . . 9 . . . 5695 1 84 . 1 1 30 30 LYS H H 1 7.60 0.02 . 1 . . . . 10 . . . 5695 1 85 . 1 1 30 30 LYS HA H 1 4.35 0.02 . 1 . . . . 10 . . . 5695 1 86 . 1 1 30 30 LYS HB2 H 1 1.48 0.02 . 2 . . . . 10 . . . 5695 1 87 . 1 1 30 30 LYS HB3 H 1 1.68 0.02 . 2 . . . . 10 . . . 5695 1 88 . 1 1 30 30 LYS C C 13 175.2 0.2 . 1 . . . . 10 . . . 5695 1 89 . 1 1 30 30 LYS CA C 13 54.6 0.2 . 1 . . . . 10 . . . 5695 1 90 . 1 1 30 30 LYS CB C 13 31.4 0.2 . 1 . . . . 10 . . . 5695 1 91 . 1 1 30 30 LYS CG C 13 24.3 0.2 . 1 . . . . 10 . . . 5695 1 92 . 1 1 30 30 LYS CD C 13 28.9 0.2 . 1 . . . . 10 . . . 5695 1 93 . 1 1 30 30 LYS CE C 13 42.1 0.2 . 1 . . . . 10 . . . 5695 1 94 . 1 1 30 30 LYS N N 15 129.6 0.2 . 1 . . . . 10 . . . 5695 1 95 . 1 1 31 31 GLY H H 1 8.22 0.02 . 1 . . . . 11 . . . 5695 1 96 . 1 1 31 31 GLY HA2 H 1 3.88 0.02 . 2 . . . . 11 . . . 5695 1 97 . 1 1 31 31 GLY HA3 H 1 4.07 0.02 . 2 . . . . 11 . . . 5695 1 98 . 1 1 31 31 GLY C C 13 174.7 0.2 . 1 . . . . 11 . . . 5695 1 99 . 1 1 31 31 GLY CA C 13 44.4 0.2 . 1 . . . . 11 . . . 5695 1 100 . 1 1 31 31 GLY N N 15 116.4 0.2 . 1 . . . . 11 . . . 5695 1 101 . 1 1 32 32 GLU H H 1 10.43 0.02 . 1 . . . . 12 . . . 5695 1 102 . 1 1 32 32 GLU HA H 1 4.04 0.02 . 1 . . . . 12 . . . 5695 1 103 . 1 1 32 32 GLU HB2 H 1 2.00 0.02 . 2 . . . . 12 . . . 5695 1 104 . 1 1 32 32 GLU HB3 H 1 2.07 0.02 . 2 . . . . 12 . . . 5695 1 105 . 1 1 32 32 GLU HG2 H 1 2.23 0.02 . 2 . . . . 12 . . . 5695 1 106 . 1 1 32 32 GLU HG3 H 1 2.33 0.02 . 2 . . . . 12 . . . 5695 1 107 . 1 1 32 32 GLU C C 13 178.1 0.2 . 1 . . . . 12 . . . 5695 1 108 . 1 1 32 32 GLU CA C 13 59.2 0.2 . 1 . . . . 12 . . . 5695 1 109 . 1 1 32 32 GLU CB C 13 30.1 0.2 . 1 . . . . 12 . . . 5695 1 110 . 1 1 32 32 GLU CG C 13 36.2 0.2 . 1 . . . . 12 . . . 5695 1 111 . 1 1 32 32 GLU N N 15 123.8 0.2 . 1 . . . . 12 . . . 5695 1 112 . 1 1 33 33 ASN H H 1 9.74 0.02 . 1 . . . . 13 . . . 5695 1 113 . 1 1 33 33 ASN HA H 1 4.88 0.02 . 1 . . . . 13 . . . 5695 1 114 . 1 1 33 33 ASN HB2 H 1 2.56 0.02 . 2 . . . . 13 . . . 5695 1 115 . 1 1 33 33 ASN HB3 H 1 2.70 0.02 . 2 . . . . 13 . . . 5695 1 116 . 1 1 33 33 ASN HD21 H 1 7.04 0.02 . 2 . . . . 13 . . . 5695 1 117 . 1 1 33 33 ASN HD22 H 1 7.40 0.02 . 2 . . . . 13 . . . 5695 1 118 . 1 1 33 33 ASN C C 13 174.6 0.2 . 1 . . . . 13 . . . 5695 1 119 . 1 1 33 33 ASN CA C 13 54.0 0.2 . 1 . . . . 13 . . . 5695 1 120 . 1 1 33 33 ASN CB C 13 42.1 0.2 . 1 . . . . 13 . . . 5695 1 121 . 1 1 33 33 ASN N N 15 115.0 0.2 . 1 . . . . 13 . . . 5695 1 122 . 1 1 33 33 ASN ND2 N 15 114.7 0.2 . 1 . . . . 13 . . . 5695 1 123 . 1 1 34 34 THR H H 1 7.71 0.02 . 1 . . . . 14 . . . 5695 1 124 . 1 1 34 34 THR HA H 1 4.37 0.02 . 1 . . . . 14 . . . 5695 1 125 . 1 1 34 34 THR HB H 1 3.77 0.02 . 1 . . . . 14 . . . 5695 1 126 . 1 1 34 34 THR HG21 H 1 1.13 0.02 . 1 . . . . 14 . . . 5695 1 127 . 1 1 34 34 THR HG22 H 1 1.13 0.02 . 1 . . . . 14 . . . 5695 1 128 . 1 1 34 34 THR HG23 H 1 1.13 0.02 . 1 . . . . 14 . . . 5695 1 129 . 1 1 34 34 THR C C 13 171.5 0.2 . 1 . . . . 14 . . . 5695 1 130 . 1 1 34 34 THR CA C 13 61.5 0.2 . 1 . . . . 14 . . . 5695 1 131 . 1 1 34 34 THR CB C 13 71.2 0.2 . 1 . . . . 14 . . . 5695 1 132 . 1 1 34 34 THR CG2 C 13 22.2 0.2 . 1 . . . . 14 . . . 5695 1 133 . 1 1 34 34 THR N N 15 115.5 0.2 . 1 . . . . 14 . . . 5695 1 134 . 1 1 35 35 ASP H H 1 8.40 0.02 . 1 . . . . 15 . . . 5695 1 135 . 1 1 35 35 ASP HA H 1 5.24 0.02 . 1 . . . . 15 . . . 5695 1 136 . 1 1 35 35 ASP HB2 H 1 2.38 0.02 . 2 . . . . 15 . . . 5695 1 137 . 1 1 35 35 ASP HB3 H 1 2.49 0.02 . 2 . . . . 15 . . . 5695 1 138 . 1 1 35 35 ASP C C 13 175.2 0.2 . 1 . . . . 15 . . . 5695 1 139 . 1 1 35 35 ASP CA C 13 53.7 0.2 . 1 . . . . 15 . . . 5695 1 140 . 1 1 35 35 ASP CB C 13 42.3 0.2 . 1 . . . . 15 . . . 5695 1 141 . 1 1 35 35 ASP N N 15 124.5 0.2 . 1 . . . . 15 . . . 5695 1 142 . 1 1 36 36 LEU H H 1 8.85 0.02 . 1 . . . . 16 . . . 5695 1 143 . 1 1 36 36 LEU HA H 1 5.57 0.02 . 1 . . . . 16 . . . 5695 1 144 . 1 1 36 36 LEU HB2 H 1 1.42 0.02 . 2 . . . . 16 . . . 5695 1 145 . 1 1 36 36 LEU HB3 H 1 1.74 0.02 . 2 . . . . 16 . . . 5695 1 146 . 1 1 36 36 LEU HG H 1 1.66 0.02 . 1 . . . . 16 . . . 5695 1 147 . 1 1 36 36 LEU HD11 H 1 0.86 0.02 . 1 . . . . 16 . . . 5695 1 148 . 1 1 36 36 LEU HD12 H 1 0.86 0.02 . 1 . . . . 16 . . . 5695 1 149 . 1 1 36 36 LEU HD13 H 1 0.86 0.02 . 1 . . . . 16 . . . 5695 1 150 . 1 1 36 36 LEU HD21 H 1 0.74 0.02 . 1 . . . . 16 . . . 5695 1 151 . 1 1 36 36 LEU HD22 H 1 0.74 0.02 . 1 . . . . 16 . . . 5695 1 152 . 1 1 36 36 LEU HD23 H 1 0.74 0.02 . 1 . . . . 16 . . . 5695 1 153 . 1 1 36 36 LEU C C 13 175.2 0.2 . 1 . . . . 16 . . . 5695 1 154 . 1 1 36 36 LEU CA C 13 53.6 0.2 . 1 . . . . 16 . . . 5695 1 155 . 1 1 36 36 LEU CB C 13 45.0 0.2 . 1 . . . . 16 . . . 5695 1 156 . 1 1 36 36 LEU CG C 13 26.8 0.2 . 1 . . . . 16 . . . 5695 1 157 . 1 1 36 36 LEU CD1 C 13 27.7 0.2 . 1 . . . . 16 . . . 5695 1 158 . 1 1 36 36 LEU CD2 C 13 23.8 0.2 . 1 . . . . 16 . . . 5695 1 159 . 1 1 36 36 LEU N N 15 121.4 0.2 . 1 . . . . 16 . . . 5695 1 160 . 1 1 37 37 ILE H H 1 9.10 0.02 . 1 . . . . 17 . . . 5695 1 161 . 1 1 37 37 ILE HA H 1 5.47 0.02 . 1 . . . . 17 . . . 5695 1 162 . 1 1 37 37 ILE HB H 1 1.34 0.02 . 1 . . . . 17 . . . 5695 1 163 . 1 1 37 37 ILE HG12 H 1 0.91 0.02 . 2 . . . . 17 . . . 5695 1 164 . 1 1 37 37 ILE HG13 H 1 1.43 0.02 . 2 . . . . 17 . . . 5695 1 165 . 1 1 37 37 ILE HG21 H 1 0.38 0.02 . 1 . . . . 17 . . . 5695 1 166 . 1 1 37 37 ILE HG22 H 1 0.38 0.02 . 1 . . . . 17 . . . 5695 1 167 . 1 1 37 37 ILE HG23 H 1 0.38 0.02 . 1 . . . . 17 . . . 5695 1 168 . 1 1 37 37 ILE HD11 H 1 0.83 0.02 . 1 . . . . 17 . . . 5695 1 169 . 1 1 37 37 ILE HD12 H 1 0.83 0.02 . 1 . . . . 17 . . . 5695 1 170 . 1 1 37 37 ILE HD13 H 1 0.83 0.02 . 1 . . . . 17 . . . 5695 1 171 . 1 1 37 37 ILE C C 13 175.5 0.2 . 1 . . . . 17 . . . 5695 1 172 . 1 1 37 37 ILE CA C 13 60.0 0.2 . 1 . . . . 17 . . . 5695 1 173 . 1 1 37 37 ILE CB C 13 43.9 0.2 . 1 . . . . 17 . . . 5695 1 174 . 1 1 37 37 ILE CG1 C 13 30.1 0.2 . 1 . . . . 17 . . . 5695 1 175 . 1 1 37 37 ILE CG2 C 13 19.1 0.2 . 1 . . . . 17 . . . 5695 1 176 . 1 1 37 37 ILE CD1 C 13 16.4 0.2 . 1 . . . . 17 . . . 5695 1 177 . 1 1 37 37 ILE N N 15 121.8 0.2 . 1 . . . . 17 . . . 5695 1 178 . 1 1 38 38 VAL H H 1 8.29 0.02 . 1 . . . . 18 . . . 5695 1 179 . 1 1 38 38 VAL HA H 1 4.80 0.02 . 1 . . . . 18 . . . 5695 1 180 . 1 1 38 38 VAL HB H 1 2.02 0.02 . 1 . . . . 18 . . . 5695 1 181 . 1 1 38 38 VAL HG11 H 1 1.02 0.02 . 1 . . . . 18 . . . 5695 1 182 . 1 1 38 38 VAL HG12 H 1 1.02 0.02 . 1 . . . . 18 . . . 5695 1 183 . 1 1 38 38 VAL HG13 H 1 1.02 0.02 . 1 . . . . 18 . . . 5695 1 184 . 1 1 38 38 VAL HG21 H 1 0.95 0.02 . 1 . . . . 18 . . . 5695 1 185 . 1 1 38 38 VAL HG22 H 1 0.95 0.02 . 1 . . . . 18 . . . 5695 1 186 . 1 1 38 38 VAL HG23 H 1 0.95 0.02 . 1 . . . . 18 . . . 5695 1 187 . 1 1 38 38 VAL C C 13 173.8 0.2 . 1 . . . . 18 . . . 5695 1 188 . 1 1 38 38 VAL CA C 13 59.8 0.2 . 1 . . . . 18 . . . 5695 1 189 . 1 1 38 38 VAL CB C 13 36.8 0.2 . 1 . . . . 18 . . . 5695 1 190 . 1 1 38 38 VAL CG1 C 13 22.4 0.2 . 1 . . . . 18 . . . 5695 1 191 . 1 1 38 38 VAL CG2 C 13 22.5 0.2 . 1 . . . . 18 . . . 5695 1 192 . 1 1 38 38 VAL N N 15 121.0 0.2 . 1 . . . . 18 . . . 5695 1 193 . 1 1 39 39 PHE H H 1 9.61 0.02 . 1 . . . . 19 . . . 5695 1 194 . 1 1 39 39 PHE HA H 1 5.00 0.02 . 1 . . . . 19 . . . 5695 1 195 . 1 1 39 39 PHE HB2 H 1 2.77 0.02 . 2 . . . . 19 . . . 5695 1 196 . 1 1 39 39 PHE HB3 H 1 3.06 0.02 . 2 . . . . 19 . . . 5695 1 197 . 1 1 39 39 PHE HD1 H 1 7.11 0.02 . 3 . . . . 19 . . . 5695 1 198 . 1 1 39 39 PHE HE1 H 1 6.60 0.02 . 3 . . . . 19 . . . 5695 1 199 . 1 1 39 39 PHE HZ H 1 6.80 0.02 . 1 . . . . 19 . . . 5695 1 200 . 1 1 39 39 PHE C C 13 174.6 0.2 . 1 . . . . 19 . . . 5695 1 201 . 1 1 39 39 PHE CA C 13 57.2 0.2 . 1 . . . . 19 . . . 5695 1 202 . 1 1 39 39 PHE CB C 13 40.3 0.2 . 1 . . . . 19 . . . 5695 1 203 . 1 1 39 39 PHE CD1 C 13 131.6 0.2 . 3 . . . . 19 . . . 5695 1 204 . 1 1 39 39 PHE CE1 C 13 130.9 0.2 . 3 . . . . 19 . . . 5695 1 205 . 1 1 39 39 PHE CZ C 13 129.0 0.2 . 1 . . . . 19 . . . 5695 1 206 . 1 1 39 39 PHE N N 15 124.0 0.2 . 1 . . . . 19 . . . 5695 1 207 . 1 1 40 40 ALA H H 1 9.18 0.02 . 1 . . . . 20 . . . 5695 1 208 . 1 1 40 40 ALA HA H 1 5.13 0.02 . 1 . . . . 20 . . . 5695 1 209 . 1 1 40 40 ALA HB1 H 1 1.25 0.02 . 1 . . . . 20 . . . 5695 1 210 . 1 1 40 40 ALA HB2 H 1 1.25 0.02 . 1 . . . . 20 . . . 5695 1 211 . 1 1 40 40 ALA HB3 H 1 1.25 0.02 . 1 . . . . 20 . . . 5695 1 212 . 1 1 40 40 ALA C C 13 176.8 0.2 . 1 . . . . 20 . . . 5695 1 213 . 1 1 40 40 ALA CA C 13 50.2 0.2 . 1 . . . . 20 . . . 5695 1 214 . 1 1 40 40 ALA CB C 13 23.7 0.2 . 1 . . . . 20 . . . 5695 1 215 . 1 1 40 40 ALA N N 15 126.4 0.2 . 1 . . . . 20 . . . 5695 1 216 . 1 1 41 41 ALA H H 1 8.90 0.02 . 1 . . . . 21 . . . 5695 1 217 . 1 1 41 41 ALA HA H 1 4.30 0.02 . 1 . . . . 21 . . . 5695 1 218 . 1 1 41 41 ALA HB1 H 1 1.54 0.02 . 1 . . . . 21 . . . 5695 1 219 . 1 1 41 41 ALA HB2 H 1 1.54 0.02 . 1 . . . . 21 . . . 5695 1 220 . 1 1 41 41 ALA HB3 H 1 1.54 0.02 . 1 . . . . 21 . . . 5695 1 221 . 1 1 41 41 ALA C C 13 177.4 0.2 . 1 . . . . 21 . . . 5695 1 222 . 1 1 41 41 ALA CA C 13 55.2 0.2 . 1 . . . . 21 . . . 5695 1 223 . 1 1 41 41 ALA CB C 13 20.2 0.2 . 1 . . . . 21 . . . 5695 1 224 . 1 1 41 41 ALA N N 15 121.7 0.2 . 1 . . . . 21 . . . 5695 1 225 . 1 1 42 42 SER H H 1 7.16 0.02 . 1 . . . . 22 . . . 5695 1 226 . 1 1 42 42 SER HA H 1 4.65 0.02 . 1 . . . . 22 . . . 5695 1 227 . 1 1 42 42 SER HB2 H 1 4.28 0.02 . 2 . . . . 22 . . . 5695 1 228 . 1 1 42 42 SER HB3 H 1 4.31 0.02 . 2 . . . . 22 . . . 5695 1 229 . 1 1 42 42 SER C C 13 173.9 0.2 . 1 . . . . 22 . . . 5695 1 230 . 1 1 42 42 SER CA C 13 57.3 0.2 . 1 . . . . 22 . . . 5695 1 231 . 1 1 42 42 SER CB C 13 64.7 0.2 . 1 . . . . 22 . . . 5695 1 232 . 1 1 42 42 SER N N 15 104.6 0.2 . 1 . . . . 22 . . . 5695 1 233 . 1 1 43 43 GLU H H 1 9.29 0.02 . 1 . . . . 23 . . . 5695 1 234 . 1 1 43 43 GLU HA H 1 4.56 0.02 . 1 . . . . 23 . . . 5695 1 235 . 1 1 43 43 GLU HB2 H 1 2.03 0.02 . 2 . . . . 23 . . . 5695 1 236 . 1 1 43 43 GLU HB3 H 1 2.13 0.02 . 2 . . . . 23 . . . 5695 1 237 . 1 1 43 43 GLU HG2 H 1 2.38 0.02 . 2 . . . . 23 . . . 5695 1 238 . 1 1 43 43 GLU HG3 H 1 2.47 0.02 . 2 . . . . 23 . . . 5695 1 239 . 1 1 43 43 GLU C C 13 178.2 0.2 . 1 . . . . 23 . . . 5695 1 240 . 1 1 43 43 GLU CA C 13 59.4 0.2 . 1 . . . . 23 . . . 5695 1 241 . 1 1 43 43 GLU CB C 13 30.5 0.2 . 1 . . . . 23 . . . 5695 1 242 . 1 1 43 43 GLU CG C 13 36.8 0.2 . 1 . . . . 23 . . . 5695 1 243 . 1 1 43 43 GLU N N 15 123.2 0.2 . 1 . . . . 23 . . . 5695 1 244 . 1 1 44 44 GLU H H 1 8.74 0.02 . 1 . . . . 24 . . . 5695 1 245 . 1 1 44 44 GLU HA H 1 4.15 0.02 . 1 . . . . 24 . . . 5695 1 246 . 1 1 44 44 GLU HB2 H 1 1.98 0.02 . 2 . . . . 24 . . . 5695 1 247 . 1 1 44 44 GLU HB3 H 1 2.09 0.02 . 2 . . . . 24 . . . 5695 1 248 . 1 1 44 44 GLU HG2 H 1 2.36 0.02 . 2 . . . . 24 . . . 5695 1 249 . 1 1 44 44 GLU C C 13 179.6 0.2 . 1 . . . . 24 . . . 5695 1 250 . 1 1 44 44 GLU CA C 13 60.0 0.2 . 1 . . . . 24 . . . 5695 1 251 . 1 1 44 44 GLU CB C 13 29.3 0.2 . 1 . . . . 24 . . . 5695 1 252 . 1 1 44 44 GLU CG C 13 36.7 0.2 . 1 . . . . 24 . . . 5695 1 253 . 1 1 44 44 GLU N N 15 118.4 0.2 . 1 . . . . 24 . . . 5695 1 254 . 1 1 45 45 LEU H H 1 7.93 0.02 . 1 . . . . 25 . . . 5695 1 255 . 1 1 45 45 LEU HA H 1 4.17 0.02 . 1 . . . . 25 . . . 5695 1 256 . 1 1 45 45 LEU HB2 H 1 1.46 0.02 . 2 . . . . 25 . . . 5695 1 257 . 1 1 45 45 LEU HB3 H 1 1.93 0.02 . 2 . . . . 25 . . . 5695 1 258 . 1 1 45 45 LEU HG H 1 1.61 0.02 . 1 . . . . 25 . . . 5695 1 259 . 1 1 45 45 LEU HD11 H 1 0.97 0.02 . 1 . . . . 25 . . . 5695 1 260 . 1 1 45 45 LEU HD12 H 1 0.97 0.02 . 1 . . . . 25 . . . 5695 1 261 . 1 1 45 45 LEU HD13 H 1 0.97 0.02 . 1 . . . . 25 . . . 5695 1 262 . 1 1 45 45 LEU HD21 H 1 0.88 0.02 . 1 . . . . 25 . . . 5695 1 263 . 1 1 45 45 LEU HD22 H 1 0.88 0.02 . 1 . . . . 25 . . . 5695 1 264 . 1 1 45 45 LEU HD23 H 1 0.88 0.02 . 1 . . . . 25 . . . 5695 1 265 . 1 1 45 45 LEU C C 13 179.8 0.2 . 1 . . . . 25 . . . 5695 1 266 . 1 1 45 45 LEU CA C 13 57.7 0.2 . 1 . . . . 25 . . . 5695 1 267 . 1 1 45 45 LEU CB C 13 41.6 0.2 . 1 . . . . 25 . . . 5695 1 268 . 1 1 45 45 LEU CG C 13 28.4 0.2 . 1 . . . . 25 . . . 5695 1 269 . 1 1 45 45 LEU CD1 C 13 25.8 0.2 . 1 . . . . 25 . . . 5695 1 270 . 1 1 45 45 LEU CD2 C 13 23.3 0.2 . 1 . . . . 25 . . . 5695 1 271 . 1 1 45 45 LEU N N 15 120.3 0.2 . 1 . . . . 25 . . . 5695 1 272 . 1 1 46 46 VAL H H 1 7.82 0.02 . 1 . . . . 26 . . . 5695 1 273 . 1 1 46 46 VAL HA H 1 3.48 0.02 . 1 . . . . 26 . . . 5695 1 274 . 1 1 46 46 VAL HB H 1 2.45 0.02 . 1 . . . . 26 . . . 5695 1 275 . 1 1 46 46 VAL HG11 H 1 0.77 0.02 . 1 . . . . 26 . . . 5695 1 276 . 1 1 46 46 VAL HG12 H 1 0.77 0.02 . 1 . . . . 26 . . . 5695 1 277 . 1 1 46 46 VAL HG13 H 1 0.77 0.02 . 1 . . . . 26 . . . 5695 1 278 . 1 1 46 46 VAL HG21 H 1 0.78 0.02 . 1 . . . . 26 . . . 5695 1 279 . 1 1 46 46 VAL HG22 H 1 0.78 0.02 . 1 . . . . 26 . . . 5695 1 280 . 1 1 46 46 VAL HG23 H 1 0.78 0.02 . 1 . . . . 26 . . . 5695 1 281 . 1 1 46 46 VAL C C 13 177.5 0.2 . 1 . . . . 26 . . . 5695 1 282 . 1 1 46 46 VAL CA C 13 68.0 0.2 . 1 . . . . 26 . . . 5695 1 283 . 1 1 46 46 VAL CB C 13 31.7 0.2 . 1 . . . . 26 . . . 5695 1 284 . 1 1 46 46 VAL CG1 C 13 22.1 0.2 . 1 . . . . 26 . . . 5695 1 285 . 1 1 46 46 VAL CG2 C 13 24.9 0.2 . 1 . . . . 26 . . . 5695 1 286 . 1 1 46 46 VAL N N 15 122.0 0.2 . 1 . . . . 26 . . . 5695 1 287 . 1 1 47 47 ASP H H 1 8.60 0.02 . 1 . . . . 27 . . . 5695 1 288 . 1 1 47 47 ASP HA H 1 4.40 0.02 . 1 . . . . 27 . . . 5695 1 289 . 1 1 47 47 ASP HB2 H 1 2.63 0.02 . 2 . . . . 27 . . . 5695 1 290 . 1 1 47 47 ASP HB3 H 1 2.84 0.02 . 2 . . . . 27 . . . 5695 1 291 . 1 1 47 47 ASP C C 13 179.1 0.2 . 1 . . . . 27 . . . 5695 1 292 . 1 1 47 47 ASP CA C 13 58.1 0.2 . 1 . . . . 27 . . . 5695 1 293 . 1 1 47 47 ASP CB C 13 40.5 0.2 . 1 . . . . 27 . . . 5695 1 294 . 1 1 47 47 ASP N N 15 120.1 0.2 . 1 . . . . 27 . . . 5695 1 295 . 1 1 48 48 GLU H H 1 7.65 0.02 . 1 . . . . 28 . . . 5695 1 296 . 1 1 48 48 GLU HA H 1 3.98 0.02 . 1 . . . . 28 . . . 5695 1 297 . 1 1 48 48 GLU HB2 H 1 2.12 0.02 . 2 . . . . 28 . . . 5695 1 298 . 1 1 48 48 GLU HB3 H 1 2.19 0.02 . 2 . . . . 28 . . . 5695 1 299 . 1 1 48 48 GLU HG2 H 1 2.29 0.02 . 2 . . . . 28 . . . 5695 1 300 . 1 1 48 48 GLU HG3 H 1 2.48 0.02 . 2 . . . . 28 . . . 5695 1 301 . 1 1 48 48 GLU C C 13 179.4 0.2 . 1 . . . . 28 . . . 5695 1 302 . 1 1 48 48 GLU CA C 13 59.5 0.2 . 1 . . . . 28 . . . 5695 1 303 . 1 1 48 48 GLU CB C 13 30.0 0.2 . 1 . . . . 28 . . . 5695 1 304 . 1 1 48 48 GLU CG C 13 36.3 0.2 . 1 . . . . 28 . . . 5695 1 305 . 1 1 48 48 GLU N N 15 118.1 0.2 . 1 . . . . 28 . . . 5695 1 306 . 1 1 49 49 TYR H H 1 8.06 0.02 . 1 . . . . 29 . . . 5695 1 307 . 1 1 49 49 TYR HA H 1 3.93 0.02 . 1 . . . . 29 . . . 5695 1 308 . 1 1 49 49 TYR HB2 H 1 3.03 0.02 . 2 . . . . 29 . . . 5695 1 309 . 1 1 49 49 TYR HB3 H 1 3.39 0.02 . 2 . . . . 29 . . . 5695 1 310 . 1 1 49 49 TYR HD1 H 1 6.81 0.02 . 3 . . . . 29 . . . 5695 1 311 . 1 1 49 49 TYR HE1 H 1 6.84 0.02 . 3 . . . . 29 . . . 5695 1 312 . 1 1 49 49 TYR C C 13 175.8 0.2 . 1 . . . . 29 . . . 5695 1 313 . 1 1 49 49 TYR CA C 13 61.7 0.2 . 1 . . . . 29 . . . 5695 1 314 . 1 1 49 49 TYR CB C 13 38.2 0.2 . 1 . . . . 29 . . . 5695 1 315 . 1 1 49 49 TYR CD1 C 13 132.6 0.2 . 3 . . . . 29 . . . 5695 1 316 . 1 1 49 49 TYR CE1 C 13 118.2 0.2 . 3 . . . . 29 . . . 5695 1 317 . 1 1 49 49 TYR N N 15 122.4 0.2 . 1 . . . . 29 . . . 5695 1 318 . 1 1 50 50 LEU H H 1 8.74 0.02 . 1 . . . . 30 . . . 5695 1 319 . 1 1 50 50 LEU HA H 1 3.53 0.02 . 1 . . . . 30 . . . 5695 1 320 . 1 1 50 50 LEU HB2 H 1 1.36 0.02 . 2 . . . . 30 . . . 5695 1 321 . 1 1 50 50 LEU HB3 H 1 1.94 0.02 . 2 . . . . 30 . . . 5695 1 322 . 1 1 50 50 LEU HG H 1 2.05 0.02 . 1 . . . . 30 . . . 5695 1 323 . 1 1 50 50 LEU HD11 H 1 0.96 0.02 . 1 . . . . 30 . . . 5695 1 324 . 1 1 50 50 LEU HD12 H 1 0.96 0.02 . 1 . . . . 30 . . . 5695 1 325 . 1 1 50 50 LEU HD13 H 1 0.96 0.02 . 1 . . . . 30 . . . 5695 1 326 . 1 1 50 50 LEU HD21 H 1 0.81 0.02 . 1 . . . . 30 . . . 5695 1 327 . 1 1 50 50 LEU HD22 H 1 0.81 0.02 . 1 . . . . 30 . . . 5695 1 328 . 1 1 50 50 LEU HD23 H 1 0.81 0.02 . 1 . . . . 30 . . . 5695 1 329 . 1 1 50 50 LEU C C 13 179.7 0.2 . 1 . . . . 30 . . . 5695 1 330 . 1 1 50 50 LEU CA C 13 57.1 0.2 . 1 . . . . 30 . . . 5695 1 331 . 1 1 50 50 LEU CB C 13 41.6 0.2 . 1 . . . . 30 . . . 5695 1 332 . 1 1 50 50 LEU CG C 13 27.0 0.2 . 1 . . . . 30 . . . 5695 1 333 . 1 1 50 50 LEU CD1 C 13 26.4 0.2 . 1 . . . . 30 . . . 5695 1 334 . 1 1 50 50 LEU CD2 C 13 22.6 0.2 . 1 . . . . 30 . . . 5695 1 335 . 1 1 50 50 LEU N N 15 116.9 0.2 . 1 . . . . 30 . . . 5695 1 336 . 1 1 51 51 LYS H H 1 7.36 0.02 . 1 . . . . 31 . . . 5695 1 337 . 1 1 51 51 LYS HA H 1 4.05 0.02 . 1 . . . . 31 . . . 5695 1 338 . 1 1 51 51 LYS HB2 H 1 1.81 0.02 . 2 . . . . 31 . . . 5695 1 339 . 1 1 51 51 LYS HB3 H 1 1.87 0.02 . 2 . . . . 31 . . . 5695 1 340 . 1 1 51 51 LYS HG2 H 1 1.45 0.02 . 2 . . . . 31 . . . 5695 1 341 . 1 1 51 51 LYS HG3 H 1 1.63 0.02 . 2 . . . . 31 . . . 5695 1 342 . 1 1 51 51 LYS HD2 H 1 1.67 0.02 . 1 . . . . 31 . . . 5695 1 343 . 1 1 51 51 LYS HD3 H 1 1.67 0.02 . 1 . . . . 31 . . . 5695 1 344 . 1 1 51 51 LYS C C 13 177.0 0.2 . 1 . . . . 31 . . . 5695 1 345 . 1 1 51 51 LYS CA C 13 58.3 0.2 . 1 . . . . 31 . . . 5695 1 346 . 1 1 51 51 LYS CB C 13 33.5 0.2 . 1 . . . . 31 . . . 5695 1 347 . 1 1 51 51 LYS CG C 13 25.5 0.2 . 1 . . . . 31 . . . 5695 1 348 . 1 1 51 51 LYS CD C 13 29.5 0.2 . 1 . . . . 31 . . . 5695 1 349 . 1 1 51 51 LYS CE C 13 42.1 0.2 . 1 . . . . 31 . . . 5695 1 350 . 1 1 51 51 LYS N N 15 116.7 0.2 . 1 . . . . 31 . . . 5695 1 351 . 1 1 52 52 ASN H H 1 7.19 0.02 . 1 . . . . 32 . . . 5695 1 352 . 1 1 52 52 ASN HA H 1 4.91 0.02 . 1 . . . . 32 . . . 5695 1 353 . 1 1 52 52 ASN HB2 H 1 2.59 0.02 . 2 . . . . 32 . . . 5695 1 354 . 1 1 52 52 ASN HB3 H 1 2.67 0.02 . 2 . . . . 32 . . . 5695 1 355 . 1 1 52 52 ASN HD21 H 1 6.81 0.02 . 2 . . . . 32 . . . 5695 1 356 . 1 1 52 52 ASN HD22 H 1 7.71 0.02 . 2 . . . . 32 . . . 5695 1 357 . 1 1 52 52 ASN C C 13 170.9 0.2 . 1 . . . . 32 . . . 5695 1 358 . 1 1 52 52 ASN CA C 13 51.6 0.2 . 1 . . . . 32 . . . 5695 1 359 . 1 1 52 52 ASN CB C 13 39.1 0.2 . 1 . . . . 32 . . . 5695 1 360 . 1 1 52 52 ASN N N 15 114.0 0.2 . 1 . . . . 32 . . . 5695 1 361 . 1 1 52 52 ASN ND2 N 15 112.8 0.2 . 1 . . . . 32 . . . 5695 1 362 . 1 1 53 53 PRO HA H 1 3.82 0.02 . 1 . . . . 33 . . . 5695 1 363 . 1 1 53 53 PRO HB2 H 1 1.35 0.02 . 2 . . . . 33 . . . 5695 1 364 . 1 1 53 53 PRO HB3 H 1 1.65 0.02 . 2 . . . . 33 . . . 5695 1 365 . 1 1 53 53 PRO HG2 H 1 1.73 0.02 . 2 . . . . 33 . . . 5695 1 366 . 1 1 53 53 PRO HG3 H 1 1.88 0.02 . 2 . . . . 33 . . . 5695 1 367 . 1 1 53 53 PRO HD2 H 1 3.29 0.02 . 2 . . . . 33 . . . 5695 1 368 . 1 1 53 53 PRO HD3 H 1 3.49 0.02 . 2 . . . . 33 . . . 5695 1 369 . 1 1 53 53 PRO C C 13 177.2 0.2 . 1 . . . . 33 . . . 5695 1 370 . 1 1 53 53 PRO CA C 13 64.9 0.2 . 1 . . . . 33 . . . 5695 1 371 . 1 1 53 53 PRO CB C 13 31.9 0.2 . 1 . . . . 33 . . . 5695 1 372 . 1 1 53 53 PRO CG C 13 27.2 0.2 . 1 . . . . 33 . . . 5695 1 373 . 1 1 53 53 PRO CD C 13 49.7 0.2 . 1 . . . . 33 . . . 5695 1 374 . 1 1 54 54 SER H H 1 7.18 0.02 . 1 . . . . 34 . . . 5695 1 375 . 1 1 54 54 SER HA H 1 4.59 0.02 . 1 . . . . 34 . . . 5695 1 376 . 1 1 54 54 SER HB2 H 1 4.09 0.02 . 2 . . . . 34 . . . 5695 1 377 . 1 1 54 54 SER CA C 13 58.0 0.2 . 1 . . . . 34 . . . 5695 1 378 . 1 1 54 54 SER CB C 13 65.3 0.2 . 1 . . . . 34 . . . 5695 1 379 . 1 1 54 54 SER N N 15 112.2 0.2 . 1 . . . . 34 . . . 5695 1 380 . 1 1 55 55 ILE HA H 1 4.19 0.02 . 1 . . . . 35 . . . 5695 1 381 . 1 1 55 55 ILE HB H 1 1.94 0.02 . 1 . . . . 35 . . . 5695 1 382 . 1 1 55 55 ILE HG12 H 1 1.33 0.02 . 1 . . . . 35 . . . 5695 1 383 . 1 1 55 55 ILE HG13 H 1 1.53 0.02 . 1 . . . . 35 . . . 5695 1 384 . 1 1 55 55 ILE HG21 H 1 0.98 0.02 . 1 . . . . 35 . . . 5695 1 385 . 1 1 55 55 ILE HG22 H 1 0.98 0.02 . 1 . . . . 35 . . . 5695 1 386 . 1 1 55 55 ILE HG23 H 1 0.98 0.02 . 1 . . . . 35 . . . 5695 1 387 . 1 1 55 55 ILE HD11 H 1 0.91 0.02 . 1 . . . . 35 . . . 5695 1 388 . 1 1 55 55 ILE HD12 H 1 0.91 0.02 . 1 . . . . 35 . . . 5695 1 389 . 1 1 55 55 ILE HD13 H 1 0.91 0.02 . 1 . . . . 35 . . . 5695 1 390 . 1 1 55 55 ILE C C 13 178.3 0.2 . 1 . . . . 35 . . . 5695 1 391 . 1 1 55 55 ILE CA C 13 63.6 0.2 . 1 . . . . 35 . . . 5695 1 392 . 1 1 55 55 ILE CB C 13 37.8 0.2 . 1 . . . . 35 . . . 5695 1 393 . 1 1 55 55 ILE CG1 C 13 28.7 0.2 . 1 . . . . 35 . . . 5695 1 394 . 1 1 55 55 ILE CG2 C 13 17.7 0.2 . 1 . . . . 35 . . . 5695 1 395 . 1 1 55 55 ILE CD1 C 13 13.0 0.2 . 1 . . . . 35 . . . 5695 1 396 . 1 1 56 56 GLY H H 1 8.60 0.02 . 1 . . . . 36 . . . 5695 1 397 . 1 1 56 56 GLY HA2 H 1 3.91 . . 2 . . . . 36 . . . 5695 1 398 . 1 1 56 56 GLY HA3 H 1 3.94 . . 2 . . . . 36 . . . 5695 1 399 . 1 1 56 56 GLY CA C 13 46.8 0.2 . 1 . . . . 36 . . . 5695 1 400 . 1 1 56 56 GLY N N 15 110.1 0.2 . 1 . . . . 36 . . . 5695 1 401 . 1 1 57 57 LYS H H 1 7.87 0.02 . 1 . . . . 37 . . . 5695 1 402 . 1 1 57 57 LYS HA H 1 4.39 0.02 . 1 . . . . 37 . . . 5695 1 403 . 1 1 57 57 LYS HB2 H 1 2.02 0.02 . 2 . . . . 37 . . . 5695 1 404 . 1 1 57 57 LYS HB3 H 1 2.08 0.02 . 2 . . . . 37 . . . 5695 1 405 . 1 1 57 57 LYS HG2 H 1 1.67 0.02 . 2 . . . . 37 . . . 5695 1 406 . 1 1 57 57 LYS HG3 H 1 1.71 0.02 . 2 . . . . 37 . . . 5695 1 407 . 1 1 57 57 LYS HD2 H 1 1.78 0.02 . 2 . . . . 37 . . . 5695 1 408 . 1 1 57 57 LYS HD3 H 1 1.92 0.02 . 2 . . . . 37 . . . 5695 1 409 . 1 1 57 57 LYS C C 13 178.4 0.2 . 1 . . . . 37 . . . 5695 1 410 . 1 1 57 57 LYS CA C 13 57.0 0.2 . 1 . . . . 37 . . . 5695 1 411 . 1 1 57 57 LYS CB C 13 32.8 0.2 . 1 . . . . 37 . . . 5695 1 412 . 1 1 57 57 LYS CG C 13 25.1 0.2 . 1 . . . . 37 . . . 5695 1 413 . 1 1 57 57 LYS CD C 13 29.1 0.2 . 1 . . . . 37 . . . 5695 1 414 . 1 1 57 57 LYS N N 15 121.7 0.2 . 1 . . . . 37 . . . 5695 1 415 . 1 1 58 58 LEU H H 1 8.43 0.02 . 1 . . . . 38 . . . 5695 1 416 . 1 1 58 58 LEU HA H 1 3.62 0.02 . 1 . . . . 38 . . . 5695 1 417 . 1 1 58 58 LEU HB2 H 1 1.78 0.02 . 2 . . . . 38 . . . 5695 1 418 . 1 1 58 58 LEU HB3 H 1 2.00 0.02 . 2 . . . . 38 . . . 5695 1 419 . 1 1 58 58 LEU HG H 1 1.55 0.02 . 1 . . . . 38 . . . 5695 1 420 . 1 1 58 58 LEU HD11 H 1 0.36 0.02 . 1 . . . . 38 . . . 5695 1 421 . 1 1 58 58 LEU HD12 H 1 0.36 0.02 . 1 . . . . 38 . . . 5695 1 422 . 1 1 58 58 LEU HD13 H 1 0.36 0.02 . 1 . . . . 38 . . . 5695 1 423 . 1 1 58 58 LEU HD21 H 1 0.69 0.02 . 1 . . . . 38 . . . 5695 1 424 . 1 1 58 58 LEU HD22 H 1 0.69 0.02 . 1 . . . . 38 . . . 5695 1 425 . 1 1 58 58 LEU HD23 H 1 0.69 0.02 . 1 . . . . 38 . . . 5695 1 426 . 1 1 58 58 LEU C C 13 178.4 0.2 . 1 . . . . 38 . . . 5695 1 427 . 1 1 58 58 LEU CA C 13 58.0 0.2 . 1 . . . . 38 . . . 5695 1 428 . 1 1 58 58 LEU CB C 13 41.5 0.2 . 1 . . . . 38 . . . 5695 1 429 . 1 1 58 58 LEU CG C 13 26.9 0.2 . 1 . . . . 38 . . . 5695 1 430 . 1 1 58 58 LEU CD1 C 13 22.8 0.2 . 1 . . . . 38 . . . 5695 1 431 . 1 1 58 58 LEU CD2 C 13 26.1 0.2 . 1 . . . . 38 . . . 5695 1 432 . 1 1 58 58 LEU N N 15 122.1 . . 1 . . . . 38 . . . 5695 1 433 . 1 1 59 59 SER H H 1 7.93 0.02 . 1 . . . . 39 . . . 5695 1 434 . 1 1 59 59 SER HA H 1 4.40 0.02 . 1 . . . . 39 . . . 5695 1 435 . 1 1 59 59 SER HB2 H 1 3.95 0.02 . 2 . . . . 39 . . . 5695 1 436 . 1 1 59 59 SER HB3 H 1 4.02 0.02 . 2 . . . . 39 . . . 5695 1 437 . 1 1 59 59 SER C C 13 174.7 0.2 . 1 . . . . 39 . . . 5695 1 438 . 1 1 59 59 SER CA C 13 61.1 0.2 . 1 . . . . 39 . . . 5695 1 439 . 1 1 59 59 SER CB C 13 63.2 0.2 . 1 . . . . 39 . . . 5695 1 440 . 1 1 59 59 SER N N 15 110.8 0.2 . 1 . . . . 39 . . . 5695 1 441 . 1 1 60 60 GLU H H 1 7.55 0.02 . 1 . . . . 40 . . . 5695 1 442 . 1 1 60 60 GLU HA H 1 4.27 0.02 . 1 . . . . 40 . . . 5695 1 443 . 1 1 60 60 GLU HB2 H 1 2.21 0.02 . 1 . . . . 40 . . . 5695 1 444 . 1 1 60 60 GLU HB3 H 1 2.21 0.02 . 1 . . . . 40 . . . 5695 1 445 . 1 1 60 60 GLU HG2 H 1 2.23 0.02 . 2 . . . . 40 . . . 5695 1 446 . 1 1 60 60 GLU HG3 H 1 2.45 0.02 . 2 . . . . 40 . . . 5695 1 447 . 1 1 60 60 GLU C C 13 177.2 0.2 . 1 . . . . 40 . . . 5695 1 448 . 1 1 60 60 GLU CA C 13 57.6 0.2 . 1 . . . . 40 . . . 5695 1 449 . 1 1 60 60 GLU CB C 13 30.5 0.2 . 1 . . . . 40 . . . 5695 1 450 . 1 1 60 60 GLU CG C 13 36.7 0.2 . 1 . . . . 40 . . . 5695 1 451 . 1 1 60 60 GLU N N 15 118.5 0.2 . 1 . . . . 40 . . . 5695 1 452 . 1 1 61 61 VAL H H 1 7.53 0.02 . 1 . . . . 41 . . . 5695 1 453 . 1 1 61 61 VAL HA H 1 4.16 0.02 . 1 . . . . 41 . . . 5695 1 454 . 1 1 61 61 VAL HB H 1 2.07 0.02 . 1 . . . . 41 . . . 5695 1 455 . 1 1 61 61 VAL HG11 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 456 . 1 1 61 61 VAL HG12 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 457 . 1 1 61 61 VAL HG13 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 458 . 1 1 61 61 VAL HG21 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 459 . 1 1 61 61 VAL HG22 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 460 . 1 1 61 61 VAL HG23 H 1 0.87 0.02 . 1 . . . . 41 . . . 5695 1 461 . 1 1 61 61 VAL C C 13 174.6 0.2 . 1 . . . . 41 . . . 5695 1 462 . 1 1 61 61 VAL CA C 13 63.3 0.2 . 1 . . . . 41 . . . 5695 1 463 . 1 1 61 61 VAL CB C 13 33.0 0.2 . 1 . . . . 41 . . . 5695 1 464 . 1 1 61 61 VAL CG1 C 13 22.6 0.2 . 1 . . . . 41 . . . 5695 1 465 . 1 1 61 61 VAL CG2 C 13 21.6 0.2 . 1 . . . . 41 . . . 5695 1 466 . 1 1 61 61 VAL N N 15 114.2 0.2 . 1 . . . . 41 . . . 5695 1 467 . 1 1 62 62 VAL H H 1 7.91 0.02 . 1 . . . . 42 . . . 5695 1 468 . 1 1 62 62 VAL HA H 1 4.39 0.02 . 1 . . . . 42 . . . 5695 1 469 . 1 1 62 62 VAL HB H 1 1.99 0.02 . 1 . . . . 42 . . . 5695 1 470 . 1 1 62 62 VAL HG11 H 1 0.78 0.02 . 1 . . . . 42 . . . 5695 1 471 . 1 1 62 62 VAL HG12 H 1 0.78 0.02 . 1 . . . . 42 . . . 5695 1 472 . 1 1 62 62 VAL HG13 H 1 0.78 0.02 . 1 . . . . 42 . . . 5695 1 473 . 1 1 62 62 VAL HG21 H 1 0.65 0.02 . 1 . . . . 42 . . . 5695 1 474 . 1 1 62 62 VAL HG22 H 1 0.65 0.02 . 1 . . . . 42 . . . 5695 1 475 . 1 1 62 62 VAL HG23 H 1 0.65 0.02 . 1 . . . . 42 . . . 5695 1 476 . 1 1 62 62 VAL C C 13 174.1 0.2 . 1 . . . . 42 . . . 5695 1 477 . 1 1 62 62 VAL CA C 13 61.5 0.2 . 1 . . . . 42 . . . 5695 1 478 . 1 1 62 62 VAL CB C 13 33.3 0.2 . 1 . . . . 42 . . . 5695 1 479 . 1 1 62 62 VAL CG1 C 13 22.3 0.2 . 1 . . . . 42 . . . 5695 1 480 . 1 1 62 62 VAL CG2 C 13 21.2 0.2 . 1 . . . . 42 . . . 5695 1 481 . 1 1 62 62 VAL N N 15 119.6 0.2 . 1 . . . . 42 . . . 5695 1 482 . 1 1 63 63 GLU H H 1 8.47 0.02 . 1 . . . . 43 . . . 5695 1 483 . 1 1 63 63 GLU HA H 1 4.23 0.02 . 1 . . . . 43 . . . 5695 1 484 . 1 1 63 63 GLU HB2 H 1 1.86 0.02 . 2 . . . . 43 . . . 5695 1 485 . 1 1 63 63 GLU HB3 H 1 1.92 0.02 . 2 . . . . 43 . . . 5695 1 486 . 1 1 63 63 GLU HG2 H 1 2.14 0.02 . 2 . . . . 43 . . . 5695 1 487 . 1 1 63 63 GLU HG3 H 1 2.20 0.02 . 2 . . . . 43 . . . 5695 1 488 . 1 1 63 63 GLU C C 13 176.4 0.2 . 1 . . . . 43 . . . 5695 1 489 . 1 1 63 63 GLU CA C 13 58.1 0.2 . 1 . . . . 43 . . . 5695 1 490 . 1 1 63 63 GLU CB C 13 31.0 0.2 . 1 . . . . 43 . . . 5695 1 491 . 1 1 63 63 GLU CG C 13 36.3 0.2 . 1 . . . . 43 . . . 5695 1 492 . 1 1 63 63 GLU N N 15 123.8 0.2 . 1 . . . . 43 . . . 5695 1 493 . 1 1 64 64 LEU H H 1 7.72 0.02 . 1 . . . . 44 . . . 5695 1 494 . 1 1 64 64 LEU HA H 1 4.65 0.02 . 1 . . . . 44 . . . 5695 1 495 . 1 1 64 64 LEU HB2 H 1 1.77 0.02 . 1 . . . . 44 . . . 5695 1 496 . 1 1 64 64 LEU HB3 H 1 1.77 0.02 . 1 . . . . 44 . . . 5695 1 497 . 1 1 64 64 LEU HG H 1 1.55 0.02 . 1 . . . . 44 . . . 5695 1 498 . 1 1 64 64 LEU HD11 H 1 0.87 0.02 . 1 . . . . 44 . . . 5695 1 499 . 1 1 64 64 LEU HD12 H 1 0.87 0.02 . 1 . . . . 44 . . . 5695 1 500 . 1 1 64 64 LEU HD13 H 1 0.87 0.02 . 1 . . . . 44 . . . 5695 1 501 . 1 1 64 64 LEU HD21 H 1 0.96 0.02 . 1 . . . . 44 . . . 5695 1 502 . 1 1 64 64 LEU HD22 H 1 0.96 0.02 . 1 . . . . 44 . . . 5695 1 503 . 1 1 64 64 LEU HD23 H 1 0.96 0.02 . 1 . . . . 44 . . . 5695 1 504 . 1 1 64 64 LEU C C 13 175.6 0.2 . 1 . . . . 44 . . . 5695 1 505 . 1 1 64 64 LEU CA C 13 53.6 0.2 . 1 . . . . 44 . . . 5695 1 506 . 1 1 64 64 LEU CB C 13 44.0 0.2 . 1 . . . . 44 . . . 5695 1 507 . 1 1 64 64 LEU CG C 13 27.4 0.2 . 1 . . . . 44 . . . 5695 1 508 . 1 1 64 64 LEU CD1 C 13 25.0 0.2 . 1 . . . . 44 . . . 5695 1 509 . 1 1 64 64 LEU CD2 C 13 24.7 0.2 . 1 . . . . 44 . . . 5695 1 510 . 1 1 64 64 LEU N N 15 118.1 0.2 . 1 . . . . 44 . . . 5695 1 511 . 1 1 65 65 PHE HA H 1 4.48 0.02 . 1 . . . . 45 . . . 5695 1 512 . 1 1 65 65 PHE HB2 H 1 2.97 0.02 . 2 . . . . 45 . . . 5695 1 513 . 1 1 65 65 PHE HB3 H 1 3.12 0.02 . 2 . . . . 45 . . . 5695 1 514 . 1 1 65 65 PHE HD1 H 1 7.09 0.02 . 3 . . . . 45 . . . 5695 1 515 . 1 1 65 65 PHE HE1 H 1 7.23 0.02 . 3 . . . . 45 . . . 5695 1 516 . 1 1 65 65 PHE HZ H 1 7.04 0.02 . 1 . . . . 45 . . . 5695 1 517 . 1 1 65 65 PHE C C 13 173.5 0.2 . 1 . . . . 45 . . . 5695 1 518 . 1 1 65 65 PHE CA C 13 56.2 0.2 . 1 . . . . 45 . . . 5695 1 519 . 1 1 65 65 PHE CB C 13 36.1 0.2 . 1 . . . . 45 . . . 5695 1 520 . 1 1 65 65 PHE CD1 C 13 131.0 0.2 . 3 . . . . 45 . . . 5695 1 521 . 1 1 65 65 PHE CE1 C 13 131.2 0.2 . 3 . . . . 45 . . . 5695 1 522 . 1 1 65 65 PHE CZ C 13 129.0 0.2 . 1 . . . . 45 . . . 5695 1 523 . 1 1 66 66 GLU H H 1 7.75 0.02 . 1 . . . . 46 . . . 5695 1 524 . 1 1 66 66 GLU HA H 1 4.41 0.02 . 1 . . . . 46 . . . 5695 1 525 . 1 1 66 66 GLU HB2 H 1 1.54 0.02 . 2 . . . . 46 . . . 5695 1 526 . 1 1 66 66 GLU HB3 H 1 1.71 0.02 . 2 . . . . 46 . . . 5695 1 527 . 1 1 66 66 GLU HG2 H 1 1.70 0.02 . 2 . . . . 46 . . . 5695 1 528 . 1 1 66 66 GLU HG3 H 1 1.82 0.02 . 2 . . . . 46 . . . 5695 1 529 . 1 1 66 66 GLU C C 13 172.5 0.2 . 1 . . . . 46 . . . 5695 1 530 . 1 1 66 66 GLU CA C 13 54.8 0.2 . 1 . . . . 46 . . . 5695 1 531 . 1 1 66 66 GLU CB C 13 33.8 0.2 . 1 . . . . 46 . . . 5695 1 532 . 1 1 66 66 GLU CG C 13 36.1 0.2 . 1 . . . . 46 . . . 5695 1 533 . 1 1 66 66 GLU N N 15 121.8 0.2 . 1 . . . . 46 . . . 5695 1 534 . 1 1 67 67 VAL H H 1 8.53 0.02 . 1 . . . . 47 . . . 5695 1 535 . 1 1 67 67 VAL HA H 1 4.45 0.02 . 1 . . . . 47 . . . 5695 1 536 . 1 1 67 67 VAL HB H 1 1.75 0.02 . 1 . . . . 47 . . . 5695 1 537 . 1 1 67 67 VAL HG11 H 1 0.88 0.02 . 1 . . . . 47 . . . 5695 1 538 . 1 1 67 67 VAL HG12 H 1 0.88 0.02 . 1 . . . . 47 . . . 5695 1 539 . 1 1 67 67 VAL HG13 H 1 0.88 0.02 . 1 . . . . 47 . . . 5695 1 540 . 1 1 67 67 VAL HG21 H 1 0.66 0.02 . 1 . . . . 47 . . . 5695 1 541 . 1 1 67 67 VAL HG22 H 1 0.66 0.02 . 1 . . . . 47 . . . 5695 1 542 . 1 1 67 67 VAL HG23 H 1 0.66 0.02 . 1 . . . . 47 . . . 5695 1 543 . 1 1 67 67 VAL C C 13 174.6 0.2 . 1 . . . . 47 . . . 5695 1 544 . 1 1 67 67 VAL CA C 13 61.0 0.2 . 1 . . . . 47 . . . 5695 1 545 . 1 1 67 67 VAL CB C 13 33.6 0.2 . 1 . . . . 47 . . . 5695 1 546 . 1 1 67 67 VAL CG1 C 13 24.0 0.2 . 1 . . . . 47 . . . 5695 1 547 . 1 1 67 67 VAL CG2 C 13 21.6 0.2 . 1 . . . . 47 . . . 5695 1 548 . 1 1 67 67 VAL N N 15 122.0 0.2 . 1 . . . . 47 . . . 5695 1 549 . 1 1 68 68 PHE H H 1 9.40 0.02 . 1 . . . . 48 . . . 5695 1 550 . 1 1 68 68 PHE HA H 1 5.32 0.02 . 1 . . . . 48 . . . 5695 1 551 . 1 1 68 68 PHE HB2 H 1 2.66 0.02 . 2 . . . . 48 . . . 5695 1 552 . 1 1 68 68 PHE HB3 H 1 3.06 0.02 . 2 . . . . 48 . . . 5695 1 553 . 1 1 68 68 PHE HD1 H 1 7.00 0.02 . 3 . . . . 48 . . . 5695 1 554 . 1 1 68 68 PHE HE1 H 1 7.30 0.02 . 3 . . . . 48 . . . 5695 1 555 . 1 1 68 68 PHE HZ H 1 7.20 0.02 . 3 . . . . 48 . . . 5695 1 556 . 1 1 68 68 PHE C C 13 174.4 0.2 . 1 . . . . 48 . . . 5695 1 557 . 1 1 68 68 PHE CA C 13 57.5 0.2 . 1 . . . . 48 . . . 5695 1 558 . 1 1 68 68 PHE CB C 13 43.7 0.2 . 1 . . . . 48 . . . 5695 1 559 . 1 1 68 68 PHE CD1 C 13 131.6 0.2 . 3 . . . . 48 . . . 5695 1 560 . 1 1 68 68 PHE CE1 C 13 131.3 0.2 . 3 . . . . 48 . . . 5695 1 561 . 1 1 68 68 PHE CZ C 13 130.2 0.2 . 3 . . . . 48 . . . 5695 1 562 . 1 1 68 68 PHE N N 15 125.2 0.2 . 1 . . . . 48 . . . 5695 1 563 . 1 1 69 69 THR H H 1 9.53 0.02 . 1 . . . . 49 . . . 5695 1 564 . 1 1 69 69 THR HA H 1 5.28 0.02 . 1 . . . . 49 . . . 5695 1 565 . 1 1 69 69 THR HB H 1 4.17 0.02 . 1 . . . . 49 . . . 5695 1 566 . 1 1 69 69 THR HG21 H 1 1.11 0.02 . 1 . . . . 49 . . . 5695 1 567 . 1 1 69 69 THR HG22 H 1 1.11 0.02 . 1 . . . . 49 . . . 5695 1 568 . 1 1 69 69 THR HG23 H 1 1.11 0.02 . 1 . . . . 49 . . . 5695 1 569 . 1 1 69 69 THR C C 13 171.2 0.2 . 1 . . . . 49 . . . 5695 1 570 . 1 1 69 69 THR CA C 13 58.9 0.2 . 1 . . . . 49 . . . 5695 1 571 . 1 1 69 69 THR CB C 13 72.4 0.2 . 1 . . . . 49 . . . 5695 1 572 . 1 1 69 69 THR CG2 C 13 18.8 0.2 . 1 . . . . 49 . . . 5695 1 573 . 1 1 69 69 THR N N 15 114.6 0.2 . 1 . . . . 49 . . . 5695 1 574 . 1 1 70 70 PRO HA H 1 4.75 0.02 . 1 . . . . 50 . . . 5695 1 575 . 1 1 70 70 PRO HB2 H 1 2.02 0.02 . 2 . . . . 50 . . . 5695 1 576 . 1 1 70 70 PRO HB3 H 1 2.38 0.02 . 2 . . . . 50 . . . 5695 1 577 . 1 1 70 70 PRO HG2 H 1 1.80 0.02 . 2 . . . . 50 . . . 5695 1 578 . 1 1 70 70 PRO HG3 H 1 2.26 0.02 . 2 . . . . 50 . . . 5695 1 579 . 1 1 70 70 PRO HD2 H 1 3.61 0.02 . 2 . . . . 50 . . . 5695 1 580 . 1 1 70 70 PRO HD3 H 1 3.89 0.02 . 2 . . . . 50 . . . 5695 1 581 . 1 1 70 70 PRO CA C 13 63.4 0.2 . 1 . . . . 50 . . . 5695 1 582 . 1 1 70 70 PRO CB C 13 32.5 0.2 . 1 . . . . 50 . . . 5695 1 583 . 1 1 70 70 PRO CD C 13 52.6 0.2 . 1 . . . . 50 . . . 5695 1 584 . 1 1 71 71 GLN H H 1 8.77 0.02 . 1 . . . . 51 . . . 5695 1 585 . 1 1 71 71 GLN HA H 1 4.37 0.02 . 1 . . . . 51 . . . 5695 1 586 . 1 1 71 71 GLN CA C 13 57.1 0.2 . 1 . . . . 51 . . . 5695 1 587 . 1 1 71 71 GLN CB C 13 31.1 0.2 . 1 . . . . 51 . . . 5695 1 588 . 1 1 71 71 GLN N N 15 123.8 0.2 . 1 . . . . 51 . . . 5695 1 589 . 1 1 74 74 ARG HA H 1 4.36 0.02 . 1 . . . . 54 . . . 5695 1 590 . 1 1 74 74 ARG HB2 H 1 1.82 0.02 . 2 . . . . 54 . . . 5695 1 591 . 1 1 74 74 ARG HG2 H 1 1.63 0.02 . 2 . . . . 54 . . . 5695 1 592 . 1 1 74 74 ARG HD2 H 1 3.15 0.02 . 2 . . . . 54 . . . 5695 1 593 . 1 1 74 74 ARG CA C 13 58.9 0.2 . 1 . . . . 54 . . . 5695 1 594 . 1 1 74 74 ARG CB C 13 31.0 0.2 . 1 . . . . 54 . . . 5695 1 595 . 1 1 74 74 ARG CG C 13 27.2 0.2 . 1 . . . . 54 . . . 5695 1 596 . 1 1 74 74 ARG CD C 13 42.3 0.2 . 1 . . . . 54 . . . 5695 1 597 . 1 1 76 76 ALA HA H 1 4.12 0.02 . 1 . . . . 56 . . . 5695 1 598 . 1 1 76 76 ALA HB1 H 1 1.12 0.02 . 1 . . . . 56 . . . 5695 1 599 . 1 1 76 76 ALA HB2 H 1 1.12 0.02 . 1 . . . . 56 . . . 5695 1 600 . 1 1 76 76 ALA HB3 H 1 1.12 0.02 . 1 . . . . 56 . . . 5695 1 601 . 1 1 76 76 ALA C C 13 177.4 0.2 . 1 . . . . 56 . . . 5695 1 602 . 1 1 76 76 ALA CA C 13 53.1 0.2 . 1 . . . . 56 . . . 5695 1 603 . 1 1 76 76 ALA CB C 13 19.2 0.2 . 1 . . . . 56 . . . 5695 1 604 . 1 1 77 77 GLU H H 1 8.10 0.02 . 1 . . . . 57 . . . 5695 1 605 . 1 1 77 77 GLU HA H 1 4.35 0.02 . 1 . . . . 57 . . . 5695 1 606 . 1 1 77 77 GLU CA C 13 56.6 0.2 . 1 . . . . 57 . . . 5695 1 607 . 1 1 77 77 GLU CB C 13 30.3 0.2 . 1 . . . . 57 . . . 5695 1 608 . 1 1 77 77 GLU N N 15 116.5 0.2 . 1 . . . . 57 . . . 5695 1 609 . 1 1 79 79 GLU HA H 1 4.25 0.02 . 1 . . . . 59 . . . 5695 1 610 . 1 1 79 79 GLU HB2 H 1 1.95 0.02 . 1 . . . . 59 . . . 5695 1 611 . 1 1 79 79 GLU HB3 H 1 1.95 0.02 . 1 . . . . 59 . . . 5695 1 612 . 1 1 79 79 GLU HG2 H 1 2.32 0.02 . 2 . . . . 59 . . . 5695 1 613 . 1 1 79 79 GLU HG3 H 1 2.23 0.02 . 2 . . . . 59 . . . 5695 1 614 . 1 1 79 79 GLU C C 13 176.3 0.2 . 1 . . . . 59 . . . 5695 1 615 . 1 1 79 79 GLU CA C 13 56.7 0.2 . 1 . . . . 59 . . . 5695 1 616 . 1 1 79 79 GLU CB C 13 30.6 0.2 . 1 . . . . 59 . . . 5695 1 617 . 1 1 79 79 GLU CG C 13 36.4 0.2 . 1 . . . . 59 . . . 5695 1 618 . 1 1 80 80 LEU H H 1 8.68 0.02 . 1 . . . . 60 . . . 5695 1 619 . 1 1 80 80 LEU HA H 1 4.92 0.02 . 1 . . . . 60 . . . 5695 1 620 . 1 1 80 80 LEU HB2 H 1 1.34 0.02 . 2 . . . . 60 . . . 5695 1 621 . 1 1 80 80 LEU HB3 H 1 1.77 0.02 . 2 . . . . 60 . . . 5695 1 622 . 1 1 80 80 LEU HG H 1 1.81 0.02 . 1 . . . . 60 . . . 5695 1 623 . 1 1 80 80 LEU HD11 H 1 0.79 0.02 . 1 . . . . 60 . . . 5695 1 624 . 1 1 80 80 LEU HD12 H 1 0.79 0.02 . 1 . . . . 60 . . . 5695 1 625 . 1 1 80 80 LEU HD13 H 1 0.79 0.02 . 1 . . . . 60 . . . 5695 1 626 . 1 1 80 80 LEU HD21 H 1 0.67 0.02 . 1 . . . . 60 . . . 5695 1 627 . 1 1 80 80 LEU HD22 H 1 0.67 0.02 . 1 . . . . 60 . . . 5695 1 628 . 1 1 80 80 LEU HD23 H 1 0.67 0.02 . 1 . . . . 60 . . . 5695 1 629 . 1 1 80 80 LEU C C 13 176.8 0.2 . 1 . . . . 60 . . . 5695 1 630 . 1 1 80 80 LEU CA C 13 54.1 0.2 . 1 . . . . 60 . . . 5695 1 631 . 1 1 80 80 LEU CB C 13 44.8 0.2 . 1 . . . . 60 . . . 5695 1 632 . 1 1 80 80 LEU CG C 13 27.0 0.2 . 1 . . . . 60 . . . 5695 1 633 . 1 1 80 80 LEU CD1 C 13 26.2 0.2 . 1 . . . . 60 . . . 5695 1 634 . 1 1 80 80 LEU CD2 C 13 23.6 0.2 . 1 . . . . 60 . . . 5695 1 635 . 1 1 80 80 LEU N N 15 123.6 0.2 . 1 . . . . 60 . . . 5695 1 636 . 1 1 81 81 GLY H H 1 8.75 0.02 . 1 . . . . 61 . . . 5695 1 637 . 1 1 81 81 GLY HA2 H 1 3.84 0.02 . 1 . . . . 61 . . . 5695 1 638 . 1 1 81 81 GLY HA3 H 1 4.78 0.02 . 1 . . . . 61 . . . 5695 1 639 . 1 1 81 81 GLY CA C 13 43.8 0.2 . 1 . . . . 61 . . . 5695 1 640 . 1 1 81 81 GLY N N 15 107.9 0.2 . 1 . . . . 61 . . . 5695 1 641 . 1 1 82 82 ALA HA H 1 4.18 0.02 . 1 . . . . 62 . . . 5695 1 642 . 1 1 82 82 ALA HB1 H 1 1.24 0.02 . 1 . . . . 62 . . . 5695 1 643 . 1 1 82 82 ALA HB2 H 1 1.24 0.02 . 1 . . . . 62 . . . 5695 1 644 . 1 1 82 82 ALA HB3 H 1 1.24 0.02 . 1 . . . . 62 . . . 5695 1 645 . 1 1 82 82 ALA C C 13 178.4 0.2 . 1 . . . . 62 . . . 5695 1 646 . 1 1 82 82 ALA CA C 13 53.1 0.2 . 1 . . . . 62 . . . 5695 1 647 . 1 1 82 82 ALA CB C 13 18.6 0.2 . 1 . . . . 62 . . . 5695 1 648 . 1 1 83 83 ALA H H 1 8.72 0.02 . 1 . . . . 63 . . . 5695 1 649 . 1 1 83 83 ALA HA H 1 4.43 0.02 . 1 . . . . 63 . . . 5695 1 650 . 1 1 83 83 ALA HB1 H 1 1.01 0.02 . 1 . . . . 63 . . . 5695 1 651 . 1 1 83 83 ALA HB2 H 1 1.01 0.02 . 1 . . . . 63 . . . 5695 1 652 . 1 1 83 83 ALA HB3 H 1 1.01 0.02 . 1 . . . . 63 . . . 5695 1 653 . 1 1 83 83 ALA C C 13 177.4 0.2 . 1 . . . . 63 . . . 5695 1 654 . 1 1 83 83 ALA CA C 13 51.5 0.2 . 1 . . . . 63 . . . 5695 1 655 . 1 1 83 83 ALA CB C 13 19.3 0.2 . 1 . . . . 63 . . . 5695 1 656 . 1 1 83 83 ALA N N 15 126.7 0.2 . 1 . . . . 63 . . . 5695 1 657 . 1 1 84 84 SER H H 1 9.29 0.02 . 1 . . . . 64 . . . 5695 1 658 . 1 1 84 84 SER HA H 1 4.51 0.02 . 1 . . . . 64 . . . 5695 1 659 . 1 1 84 84 SER HB2 H 1 3.99 0.02 . 1 . . . . 64 . . . 5695 1 660 . 1 1 84 84 SER HB3 H 1 4.39 0.02 . 1 . . . . 64 . . . 5695 1 661 . 1 1 84 84 SER C C 13 174.6 0.2 . 1 . . . . 64 . . . 5695 1 662 . 1 1 84 84 SER CA C 13 56.7 0.2 . 1 . . . . 64 . . . 5695 1 663 . 1 1 84 84 SER CB C 13 65.7 0.2 . 1 . . . . 64 . . . 5695 1 664 . 1 1 84 84 SER N N 15 120.2 0.2 . 1 . . . . 64 . . . 5695 1 665 . 1 1 85 85 LYS H H 1 8.75 0.02 . 1 . . . . 65 . . . 5695 1 666 . 1 1 85 85 LYS HA H 1 4.02 0.02 . 1 . . . . 65 . . . 5695 1 667 . 1 1 85 85 LYS HB2 H 1 1.83 0.02 . 2 . . . . 65 . . . 5695 1 668 . 1 1 85 85 LYS HB3 H 1 2.21 0.02 . 2 . . . . 65 . . . 5695 1 669 . 1 1 85 85 LYS C C 13 178.5 0.2 . 1 . . . . 65 . . . 5695 1 670 . 1 1 85 85 LYS CA C 13 59.8 0.2 . 1 . . . . 65 . . . 5695 1 671 . 1 1 85 85 LYS CB C 13 32.3 0.2 . 1 . . . . 65 . . . 5695 1 672 . 1 1 85 85 LYS CG C 13 25.0 0.2 . 1 . . . . 65 . . . 5695 1 673 . 1 1 85 85 LYS CD C 13 29.5 0.2 . 1 . . . . 65 . . . 5695 1 674 . 1 1 85 85 LYS CE C 13 42.1 0.2 . 1 . . . . 65 . . . 5695 1 675 . 1 1 85 85 LYS N N 15 122.3 0.2 . 1 . . . . 65 . . . 5695 1 676 . 1 1 86 86 ALA H H 1 8.30 0.02 . 1 . . . . 66 . . . 5695 1 677 . 1 1 86 86 ALA HA H 1 4.13 0.02 . 1 . . . . 66 . . . 5695 1 678 . 1 1 86 86 ALA HB1 H 1 1.36 0.02 . 1 . . . . 66 . . . 5695 1 679 . 1 1 86 86 ALA HB2 H 1 1.36 0.02 . 1 . . . . 66 . . . 5695 1 680 . 1 1 86 86 ALA HB3 H 1 1.36 0.02 . 1 . . . . 66 . . . 5695 1 681 . 1 1 86 86 ALA C C 13 180.2 0.2 . 1 . . . . 66 . . . 5695 1 682 . 1 1 86 86 ALA CA C 13 55.2 0.2 . 1 . . . . 66 . . . 5695 1 683 . 1 1 86 86 ALA CB C 13 18.4 0.2 . 1 . . . . 66 . . . 5695 1 684 . 1 1 86 86 ALA N N 15 119.6 0.2 . 1 . . . . 66 . . . 5695 1 685 . 1 1 87 87 GLN H H 1 7.88 0.02 . 1 . . . . 67 . . . 5695 1 686 . 1 1 87 87 GLN HA H 1 3.93 0.02 . 1 . . . . 67 . . . 5695 1 687 . 1 1 87 87 GLN HB2 H 1 1.73 0.02 . 2 . . . . 67 . . . 5695 1 688 . 1 1 87 87 GLN HB3 H 1 2.53 0.02 . 2 . . . . 67 . . . 5695 1 689 . 1 1 87 87 GLN HG2 H 1 2.49 0.02 . 2 . . . . 67 . . . 5695 1 690 . 1 1 87 87 GLN HG3 H 1 2.51 0.02 . 2 . . . . 67 . . . 5695 1 691 . 1 1 87 87 GLN HE21 H 1 6.78 0.02 . 2 . . . . 67 . . . 5695 1 692 . 1 1 87 87 GLN HE22 H 1 7.61 0.02 . 2 . . . . 67 . . . 5695 1 693 . 1 1 87 87 GLN C C 13 179.4 0.2 . 1 . . . . 67 . . . 5695 1 694 . 1 1 87 87 GLN CA C 13 59.2 0.2 . 1 . . . . 67 . . . 5695 1 695 . 1 1 87 87 GLN CB C 13 28.9 0.2 . 1 . . . . 67 . . . 5695 1 696 . 1 1 87 87 GLN CG C 13 35.4 0.2 . 1 . . . . 67 . . . 5695 1 697 . 1 1 87 87 GLN N N 15 116.9 0.2 . 1 . . . . 67 . . . 5695 1 698 . 1 1 87 87 GLN NE2 N 15 112.1 0.2 . 1 . . . . 67 . . . 5695 1 699 . 1 1 88 88 VAL H H 1 7.85 0.02 . 1 . . . . 68 . . . 5695 1 700 . 1 1 88 88 VAL HA H 1 3.61 0.02 . 1 . . . . 68 . . . 5695 1 701 . 1 1 88 88 VAL HB H 1 2.21 0.02 . 1 . . . . 68 . . . 5695 1 702 . 1 1 88 88 VAL HG11 H 1 1.03 0.02 . 1 . . . . 68 . . . 5695 1 703 . 1 1 88 88 VAL HG12 H 1 1.03 0.02 . 1 . . . . 68 . . . 5695 1 704 . 1 1 88 88 VAL HG13 H 1 1.03 0.02 . 1 . . . . 68 . . . 5695 1 705 . 1 1 88 88 VAL HG21 H 1 0.98 0.02 . 1 . . . . 68 . . . 5695 1 706 . 1 1 88 88 VAL HG22 H 1 0.98 0.02 . 1 . . . . 68 . . . 5695 1 707 . 1 1 88 88 VAL HG23 H 1 0.98 0.02 . 1 . . . . 68 . . . 5695 1 708 . 1 1 88 88 VAL C C 13 178.8 0.2 . 1 . . . . 68 . . . 5695 1 709 . 1 1 88 88 VAL CA C 13 67.0 0.2 . 1 . . . . 68 . . . 5695 1 710 . 1 1 88 88 VAL CB C 13 32.2 0.2 . 1 . . . . 68 . . . 5695 1 711 . 1 1 88 88 VAL CG1 C 13 23.2 0.2 . 1 . . . . 68 . . . 5695 1 712 . 1 1 88 88 VAL CG2 C 13 22.7 0.2 . 1 . . . . 68 . . . 5695 1 713 . 1 1 88 88 VAL N N 15 117.8 0.2 . 1 . . . . 68 . . . 5695 1 714 . 1 1 89 89 GLU H H 1 8.95 0.02 . 1 . . . . 69 . . . 5695 1 715 . 1 1 89 89 GLU HA H 1 4.06 0.02 . 1 . . . . 69 . . . 5695 1 716 . 1 1 89 89 GLU HB2 H 1 1.73 0.02 . 2 . . . . 69 . . . 5695 1 717 . 1 1 89 89 GLU HB3 H 1 2.08 0.02 . 2 . . . . 69 . . . 5695 1 718 . 1 1 89 89 GLU HG2 H 1 2.23 0.02 . 2 . . . . 69 . . . 5695 1 719 . 1 1 89 89 GLU HG3 H 1 2.64 0.02 . 2 . . . . 69 . . . 5695 1 720 . 1 1 89 89 GLU C C 13 179.9 0.2 . 1 . . . . 69 . . . 5695 1 721 . 1 1 89 89 GLU CA C 13 58.8 0.2 . 1 . . . . 69 . . . 5695 1 722 . 1 1 89 89 GLU CB C 13 29.5 0.2 . 1 . . . . 69 . . . 5695 1 723 . 1 1 89 89 GLU CG C 13 37.7 0.2 . 1 . . . . 69 . . . 5695 1 724 . 1 1 89 89 GLU N N 15 121.1 0.2 . 1 . . . . 69 . . . 5695 1 725 . 1 1 90 90 ASN H H 1 8.30 0.02 . 1 . . . . 70 . . . 5695 1 726 . 1 1 90 90 ASN HA H 1 4.46 0.02 . 1 . . . . 70 . . . 5695 1 727 . 1 1 90 90 ASN HB2 H 1 2.80 0.02 . 2 . . . . 70 . . . 5695 1 728 . 1 1 90 90 ASN HB3 H 1 2.93 0.02 . 2 . . . . 70 . . . 5695 1 729 . 1 1 90 90 ASN HD21 H 1 6.92 0.02 . 2 . . . . 70 . . . 5695 1 730 . 1 1 90 90 ASN HD22 H 1 7.53 0.02 . 2 . . . . 70 . . . 5695 1 731 . 1 1 90 90 ASN C C 13 176.1 0.2 . 1 . . . . 70 . . . 5695 1 732 . 1 1 90 90 ASN CA C 13 55.5 0.2 . 1 . . . . 70 . . . 5695 1 733 . 1 1 90 90 ASN CB C 13 38.4 0.2 . 1 . . . . 70 . . . 5695 1 734 . 1 1 90 90 ASN N N 15 117.8 0.2 . 1 . . . . 70 . . . 5695 1 735 . 1 1 90 90 ASN ND2 N 15 111.9 0.2 . 1 . . . . 70 . . . 5695 1 736 . 1 1 91 91 GLU H H 1 7.13 0.02 . 1 . . . . 71 . . . 5695 1 737 . 1 1 91 91 GLU HA H 1 4.33 0.02 . 1 . . . . 71 . . . 5695 1 738 . 1 1 91 91 GLU HB2 H 1 1.34 0.02 . 2 . . . . 71 . . . 5695 1 739 . 1 1 91 91 GLU HB3 H 1 1.46 0.02 . 2 . . . . 71 . . . 5695 1 740 . 1 1 91 91 GLU HG2 H 1 1.88 0.02 . 2 . . . . 71 . . . 5695 1 741 . 1 1 91 91 GLU HG3 H 1 2.32 0.02 . 2 . . . . 71 . . . 5695 1 742 . 1 1 91 91 GLU C C 13 177.6 0.2 . 1 . . . . 71 . . . 5695 1 743 . 1 1 91 91 GLU CA C 13 57.2 0.2 . 1 . . . . 71 . . . 5695 1 744 . 1 1 91 91 GLU CB C 13 29.7 0.2 . 1 . . . . 71 . . . 5695 1 745 . 1 1 91 91 GLU CG C 13 35.0 0.2 . 1 . . . . 71 . . . 5695 1 746 . 1 1 91 91 GLU N N 15 114.8 0.2 . 1 . . . . 71 . . . 5695 1 747 . 1 1 92 92 PHE H H 1 7.87 0.02 . 1 . . . . 72 . . . 5695 1 748 . 1 1 92 92 PHE HA H 1 4.94 0.02 . 1 . . . . 72 . . . 5695 1 749 . 1 1 92 92 PHE HB2 H 1 2.54 0.02 . 2 . . . . 72 . . . 5695 1 750 . 1 1 92 92 PHE HB3 H 1 3.22 0.02 . 2 . . . . 72 . . . 5695 1 751 . 1 1 92 92 PHE HD1 H 1 7.18 0.02 . 3 . . . . 72 . . . 5695 1 752 . 1 1 92 92 PHE HE1 H 1 6.80 0.02 . 3 . . . . 72 . . . 5695 1 753 . 1 1 92 92 PHE HZ H 1 5.73 0.02 . 1 . . . . 72 . . . 5695 1 754 . 1 1 92 92 PHE C C 13 175.5 0.2 . 1 . . . . 72 . . . 5695 1 755 . 1 1 92 92 PHE CA C 13 57.7 0.2 . 1 . . . . 72 . . . 5695 1 756 . 1 1 92 92 PHE CB C 13 41.4 0.2 . 1 . . . . 72 . . . 5695 1 757 . 1 1 92 92 PHE CD1 C 13 131.5 0.2 . 3 . . . . 72 . . . 5695 1 758 . 1 1 92 92 PHE CE1 C 13 131.0 0.2 . 3 . . . . 72 . . . 5695 1 759 . 1 1 92 92 PHE CZ C 13 129.4 0.2 . 1 . . . . 72 . . . 5695 1 760 . 1 1 92 92 PHE N N 15 113.3 0.2 . 1 . . . . 72 . . . 5695 1 761 . 1 1 93 93 GLY H H 1 8.16 0.02 . 1 . . . . 73 . . . 5695 1 762 . 1 1 93 93 GLY HA2 H 1 3.81 0.02 . 2 . . . . 73 . . . 5695 1 763 . 1 1 93 93 GLY HA3 H 1 4.52 0.02 . 2 . . . . 73 . . . 5695 1 764 . 1 1 93 93 GLY CA C 13 44.0 0.2 . 1 . . . . 73 . . . 5695 1 765 . 1 1 93 93 GLY N N 15 109.9 0.2 . 1 . . . . 73 . . . 5695 1 766 . 1 1 94 94 LYS H H 1 8.35 0.02 . 1 . . . . 74 . . . 5695 1 767 . 1 1 94 94 LYS HA H 1 4.06 0.02 . 1 . . . . 74 . . . 5695 1 768 . 1 1 94 94 LYS HB2 H 1 1.70 0.02 . 2 . . . . 74 . . . 5695 1 769 . 1 1 94 94 LYS HB3 H 1 1.77 0.02 . 2 . . . . 74 . . . 5695 1 770 . 1 1 94 94 LYS HG2 H 1 1.36 0.02 . 2 . . . . 74 . . . 5695 1 771 . 1 1 94 94 LYS HG3 H 1 1.49 0.02 . 2 . . . . 74 . . . 5695 1 772 . 1 1 94 94 LYS HD2 H 1 1.67 0.02 . 2 . . . . 74 . . . 5695 1 773 . 1 1 94 94 LYS CA C 13 57.4 0.2 . 1 . . . . 74 . . . 5695 1 774 . 1 1 94 94 LYS CB C 13 33.4 0.2 . 1 . . . . 74 . . . 5695 1 775 . 1 1 94 94 LYS CG C 13 25.4 0.2 . 1 . . . . 74 . . . 5695 1 776 . 1 1 94 94 LYS CD C 13 29.3 0.2 . 1 . . . . 74 . . . 5695 1 777 . 1 1 94 94 LYS N N 15 119.0 0.2 . 1 . . . . 74 . . . 5695 1 778 . 1 1 95 95 GLY HA2 H 1 3.74 0.02 . 2 . . . . 75 . . . 5695 1 779 . 1 1 95 95 GLY HA3 H 1 4.06 0.02 . 2 . . . . 75 . . . 5695 1 780 . 1 1 95 95 GLY CA C 13 46.0 0.2 . 1 . . . . 75 . . . 5695 1 781 . 1 1 96 96 LYS H H 1 7.70 0.02 . 1 . . . . 76 . . . 5695 1 782 . 1 1 96 96 LYS HA H 1 4.35 0.02 . 1 . . . . 76 . . . 5695 1 783 . 1 1 96 96 LYS C C 13 177.1 0.2 . 1 . . . . 76 . . . 5695 1 784 . 1 1 96 96 LYS CA C 13 55.3 0.2 . 1 . . . . 76 . . . 5695 1 785 . 1 1 96 96 LYS CB C 13 32.9 0.2 . 1 . . . . 76 . . . 5695 1 786 . 1 1 96 96 LYS CG C 13 25.1 0.2 . 1 . . . . 76 . . . 5695 1 787 . 1 1 96 96 LYS CD C 13 28.8 0.2 . 1 . . . . 76 . . . 5695 1 788 . 1 1 96 96 LYS N N 15 119.6 0.2 . 1 . . . . 76 . . . 5695 1 789 . 1 1 97 97 LYS H H 1 9.09 0.02 . 1 . . . . 77 . . . 5695 1 790 . 1 1 97 97 LYS HA H 1 4.40 0.02 . 1 . . . . 77 . . . 5695 1 791 . 1 1 97 97 LYS HB2 H 1 1.64 0.02 . 2 . . . . 77 . . . 5695 1 792 . 1 1 97 97 LYS HB3 H 1 2.26 0.02 . 2 . . . . 77 . . . 5695 1 793 . 1 1 97 97 LYS CA C 13 55.6 0.2 . 1 . . . . 77 . . . 5695 1 794 . 1 1 97 97 LYS CB C 13 33.5 0.2 . 1 . . . . 77 . . . 5695 1 795 . 1 1 97 97 LYS N N 15 124.6 0.2 . 1 . . . . 77 . . . 5695 1 796 . 1 1 98 98 ILE HA H 1 3.95 0.02 . 1 . . . . 78 . . . 5695 1 797 . 1 1 98 98 ILE HB H 1 1.96 0.02 . 1 . . . . 78 . . . 5695 1 798 . 1 1 98 98 ILE HG12 H 1 1.16 0.02 . 2 . . . . 78 . . . 5695 1 799 . 1 1 98 98 ILE HG13 H 1 1.34 0.02 . 2 . . . . 78 . . . 5695 1 800 . 1 1 98 98 ILE HG21 H 1 0.98 0.02 . 1 . . . . 78 . . . 5695 1 801 . 1 1 98 98 ILE HG22 H 1 0.98 0.02 . 1 . . . . 78 . . . 5695 1 802 . 1 1 98 98 ILE HG23 H 1 0.98 0.02 . 1 . . . . 78 . . . 5695 1 803 . 1 1 98 98 ILE HD11 H 1 0.84 0.02 . 1 . . . . 78 . . . 5695 1 804 . 1 1 98 98 ILE HD12 H 1 0.84 0.02 . 1 . . . . 78 . . . 5695 1 805 . 1 1 98 98 ILE HD13 H 1 0.84 0.02 . 1 . . . . 78 . . . 5695 1 806 . 1 1 98 98 ILE C C 13 176.4 0.2 . 1 . . . . 78 . . . 5695 1 807 . 1 1 98 98 ILE CA C 13 62.6 0.2 . 1 . . . . 78 . . . 5695 1 808 . 1 1 98 98 ILE CB C 13 37.8 0.2 . 1 . . . . 78 . . . 5695 1 809 . 1 1 98 98 ILE CG1 C 13 29.2 0.2 . 1 . . . . 78 . . . 5695 1 810 . 1 1 98 98 ILE CG2 C 13 18.6 0.2 . 1 . . . . 78 . . . 5695 1 811 . 1 1 98 98 ILE CD1 C 13 13.4 0.2 . 1 . . . . 78 . . . 5695 1 812 . 1 1 99 99 GLU H H 1 9.95 0.02 . 1 . . . . 79 . . . 5695 1 813 . 1 1 99 99 GLU HA H 1 3.60 0.02 . 1 . . . . 79 . . . 5695 1 814 . 1 1 99 99 GLU HB2 H 1 1.89 0.02 . 2 . . . . 79 . . . 5695 1 815 . 1 1 99 99 GLU HB3 H 1 1.93 0.02 . 2 . . . . 79 . . . 5695 1 816 . 1 1 99 99 GLU HG2 H 1 2.13 0.02 . 2 . . . . 79 . . . 5695 1 817 . 1 1 99 99 GLU HG3 H 1 2.36 0.02 . 2 . . . . 79 . . . 5695 1 818 . 1 1 99 99 GLU C C 13 178.5 0.2 . 1 . . . . 79 . . . 5695 1 819 . 1 1 99 99 GLU CA C 13 60.8 0.2 . 1 . . . . 79 . . . 5695 1 820 . 1 1 99 99 GLU CB C 13 28.3 0.2 . 1 . . . . 79 . . . 5695 1 821 . 1 1 99 99 GLU CG C 13 36.8 0.2 . 1 . . . . 79 . . . 5695 1 822 . 1 1 99 99 GLU N N 15 120.7 0.2 . 1 . . . . 79 . . . 5695 1 823 . 1 1 100 100 GLU H H 1 7.10 0.02 . 1 . . . . 80 . . . 5695 1 824 . 1 1 100 100 GLU HA H 1 3.96 0.02 . 1 . . . . 80 . . . 5695 1 825 . 1 1 100 100 GLU HB2 H 1 1.91 0.02 . 2 . . . . 80 . . . 5695 1 826 . 1 1 100 100 GLU HB3 H 1 2.37 0.02 . 2 . . . . 80 . . . 5695 1 827 . 1 1 100 100 GLU HG2 H 1 2.24 0.02 . 2 . . . . 80 . . . 5695 1 828 . 1 1 100 100 GLU C C 13 178.5 0.2 . 1 . . . . 80 . . . 5695 1 829 . 1 1 100 100 GLU CA C 13 58.5 0.2 . 1 . . . . 80 . . . 5695 1 830 . 1 1 100 100 GLU CB C 13 30.3 0.2 . 1 . . . . 80 . . . 5695 1 831 . 1 1 100 100 GLU CG C 13 37.5 0.2 . 1 . . . . 80 . . . 5695 1 832 . 1 1 100 100 GLU N N 15 118.3 0.2 . 1 . . . . 80 . . . 5695 1 833 . 1 1 101 101 VAL H H 1 7.48 0.02 . 1 . . . . 81 . . . 5695 1 834 . 1 1 101 101 VAL HA H 1 2.88 0.02 . 1 . . . . 81 . . . 5695 1 835 . 1 1 101 101 VAL HB H 1 2.05 0.02 . 1 . . . . 81 . . . 5695 1 836 . 1 1 101 101 VAL HG11 H 1 0.65 0.02 . 1 . . . . 81 . . . 5695 1 837 . 1 1 101 101 VAL HG12 H 1 0.65 0.02 . 1 . . . . 81 . . . 5695 1 838 . 1 1 101 101 VAL HG13 H 1 0.65 0.02 . 1 . . . . 81 . . . 5695 1 839 . 1 1 101 101 VAL HG21 H 1 0.69 0.02 . 1 . . . . 81 . . . 5695 1 840 . 1 1 101 101 VAL HG22 H 1 0.69 0.02 . 1 . . . . 81 . . . 5695 1 841 . 1 1 101 101 VAL HG23 H 1 0.69 0.02 . 1 . . . . 81 . . . 5695 1 842 . 1 1 101 101 VAL C C 13 176.5 0.2 . 1 . . . . 81 . . . 5695 1 843 . 1 1 101 101 VAL CA C 13 66.4 0.2 . 1 . . . . 81 . . . 5695 1 844 . 1 1 101 101 VAL CB C 13 31.5 0.2 . 1 . . . . 81 . . . 5695 1 845 . 1 1 101 101 VAL CG1 C 13 21.5 0.2 . 1 . . . . 81 . . . 5695 1 846 . 1 1 101 101 VAL CG2 C 13 22.3 0.2 . 1 . . . . 81 . . . 5695 1 847 . 1 1 101 101 VAL N N 15 120.4 0.2 . 1 . . . . 81 . . . 5695 1 848 . 1 1 102 102 ILE H H 1 8.28 0.02 . 1 . . . . 82 . . . 5695 1 849 . 1 1 102 102 ILE HA H 1 3.24 0.02 . 1 . . . . 82 . . . 5695 1 850 . 1 1 102 102 ILE HB H 1 1.46 0.02 . 1 . . . . 82 . . . 5695 1 851 . 1 1 102 102 ILE HG12 H 1 0.75 0.02 . 2 . . . . 82 . . . 5695 1 852 . 1 1 102 102 ILE HG13 H 1 1.48 0.02 . 2 . . . . 82 . . . 5695 1 853 . 1 1 102 102 ILE HG21 H 1 0.65 0.02 . 1 . . . . 82 . . . 5695 1 854 . 1 1 102 102 ILE HG22 H 1 0.65 0.02 . 1 . . . . 82 . . . 5695 1 855 . 1 1 102 102 ILE HG23 H 1 0.65 0.02 . 1 . . . . 82 . . . 5695 1 856 . 1 1 102 102 ILE HD11 H 1 0.27 0.02 . 1 . . . . 82 . . . 5695 1 857 . 1 1 102 102 ILE HD12 H 1 0.27 0.02 . 1 . . . . 82 . . . 5695 1 858 . 1 1 102 102 ILE HD13 H 1 0.27 0.02 . 1 . . . . 82 . . . 5695 1 859 . 1 1 102 102 ILE C C 13 176.9 0.2 . 1 . . . . 82 . . . 5695 1 860 . 1 1 102 102 ILE CA C 13 66.3 0.2 . 1 . . . . 82 . . . 5695 1 861 . 1 1 102 102 ILE CB C 13 37.3 0.2 . 1 . . . . 82 . . . 5695 1 862 . 1 1 102 102 ILE CG1 C 13 29.5 0.2 . 1 . . . . 82 . . . 5695 1 863 . 1 1 102 102 ILE CG2 C 13 18.3 0.2 . 1 . . . . 82 . . . 5695 1 864 . 1 1 102 102 ILE CD1 C 13 13.3 0.2 . 1 . . . . 82 . . . 5695 1 865 . 1 1 102 102 ILE N N 15 117.9 0.2 . 1 . . . . 82 . . . 5695 1 866 . 1 1 103 103 ASP H H 1 7.27 0.02 . 1 . . . . 83 . . . 5695 1 867 . 1 1 103 103 ASP HA H 1 4.01 0.02 . 1 . . . . 83 . . . 5695 1 868 . 1 1 103 103 ASP HB2 H 1 2.66 0.02 . 2 . . . . 83 . . . 5695 1 869 . 1 1 103 103 ASP HB3 H 1 2.74 0.02 . 2 . . . . 83 . . . 5695 1 870 . 1 1 103 103 ASP C C 13 176.4 0.2 . 1 . . . . 83 . . . 5695 1 871 . 1 1 103 103 ASP CA C 13 58.9 0.2 . 1 . . . . 83 . . . 5695 1 872 . 1 1 103 103 ASP CB C 13 42.7 0.2 . 1 . . . . 83 . . . 5695 1 873 . 1 1 103 103 ASP N N 15 117.8 0.2 . 1 . . . . 83 . . . 5695 1 874 . 1 1 104 104 LEU H H 1 7.47 0.02 . 1 . . . . 84 . . . 5695 1 875 . 1 1 104 104 LEU HA H 1 3.75 0.02 . 1 . . . . 84 . . . 5695 1 876 . 1 1 104 104 LEU HB2 H 1 0.79 0.02 . 2 . . . . 84 . . . 5695 1 877 . 1 1 104 104 LEU HB3 H 1 1.37 0.02 . 2 . . . . 84 . . . 5695 1 878 . 1 1 104 104 LEU HG H 1 1.66 0.02 . 1 . . . . 84 . . . 5695 1 879 . 1 1 104 104 LEU HD11 H 1 0.47 0.02 . 1 . . . . 84 . . . 5695 1 880 . 1 1 104 104 LEU HD12 H 1 0.47 0.02 . 1 . . . . 84 . . . 5695 1 881 . 1 1 104 104 LEU HD13 H 1 0.47 0.02 . 1 . . . . 84 . . . 5695 1 882 . 1 1 104 104 LEU HD21 H 1 0.75 0.02 . 1 . . . . 84 . . . 5695 1 883 . 1 1 104 104 LEU HD22 H 1 0.75 0.02 . 1 . . . . 84 . . . 5695 1 884 . 1 1 104 104 LEU HD23 H 1 0.75 0.02 . 1 . . . . 84 . . . 5695 1 885 . 1 1 104 104 LEU C C 13 179.9 0.2 . 1 . . . . 84 . . . 5695 1 886 . 1 1 104 104 LEU CA C 13 58.6 0.2 . 1 . . . . 84 . . . 5695 1 887 . 1 1 104 104 LEU CB C 13 42.0 0.2 . 1 . . . . 84 . . . 5695 1 888 . 1 1 104 104 LEU CG C 13 27.0 0.2 . 1 . . . . 84 . . . 5695 1 889 . 1 1 104 104 LEU CD1 C 13 25.1 0.2 . 1 . . . . 84 . . . 5695 1 890 . 1 1 104 104 LEU CD2 C 13 23.0 0.2 . 1 . . . . 84 . . . 5695 1 891 . 1 1 104 104 LEU N N 15 117.1 0.2 . 1 . . . . 84 . . . 5695 1 892 . 1 1 105 105 ILE H H 1 7.94 0.02 . 1 . . . . 85 . . . 5695 1 893 . 1 1 105 105 ILE HA H 1 3.45 0.02 . 1 . . . . 85 . . . 5695 1 894 . 1 1 105 105 ILE HB H 1 1.70 0.02 . 1 . . . . 85 . . . 5695 1 895 . 1 1 105 105 ILE HG12 H 1 0.58 0.02 . 2 . . . . 85 . . . 5695 1 896 . 1 1 105 105 ILE HG13 H 1 1.73 0.02 . 2 . . . . 85 . . . 5695 1 897 . 1 1 105 105 ILE HG21 H 1 0.84 0.02 . 1 . . . . 85 . . . 5695 1 898 . 1 1 105 105 ILE HG22 H 1 0.84 0.02 . 1 . . . . 85 . . . 5695 1 899 . 1 1 105 105 ILE HG23 H 1 0.84 0.02 . 1 . . . . 85 . . . 5695 1 900 . 1 1 105 105 ILE HD11 H 1 0.68 0.02 . 1 . . . . 85 . . . 5695 1 901 . 1 1 105 105 ILE HD12 H 1 0.68 0.02 . 1 . . . . 85 . . . 5695 1 902 . 1 1 105 105 ILE HD13 H 1 0.68 0.02 . 1 . . . . 85 . . . 5695 1 903 . 1 1 105 105 ILE C C 13 177.5 0.2 . 1 . . . . 85 . . . 5695 1 904 . 1 1 105 105 ILE CA C 13 66.3 0.2 . 1 . . . . 85 . . . 5695 1 905 . 1 1 105 105 ILE CB C 13 37.8 0.2 . 1 . . . . 85 . . . 5695 1 906 . 1 1 105 105 ILE CG1 C 13 29.8 0.2 . 1 . . . . 85 . . . 5695 1 907 . 1 1 105 105 ILE CG2 C 13 17.7 0.2 . 1 . . . . 85 . . . 5695 1 908 . 1 1 105 105 ILE CD1 C 13 17.3 0.2 . 1 . . . . 85 . . . 5695 1 909 . 1 1 105 105 ILE N N 15 121.9 0.2 . 1 . . . . 85 . . . 5695 1 910 . 1 1 106 106 LEU H H 1 8.08 0.02 . 1 . . . . 86 . . . 5695 1 911 . 1 1 106 106 LEU HA H 1 3.70 0.02 . 1 . . . . 86 . . . 5695 1 912 . 1 1 106 106 LEU HB2 H 1 0.93 0.02 . 2 . . . . 86 . . . 5695 1 913 . 1 1 106 106 LEU HB3 H 1 1.81 0.02 . 2 . . . . 86 . . . 5695 1 914 . 1 1 106 106 LEU HG H 1 1.60 0.02 . 1 . . . . 86 . . . 5695 1 915 . 1 1 106 106 LEU HD11 H 1 0.28 0.02 . 1 . . . . 86 . . . 5695 1 916 . 1 1 106 106 LEU HD12 H 1 0.28 0.02 . 1 . . . . 86 . . . 5695 1 917 . 1 1 106 106 LEU HD13 H 1 0.28 0.02 . 1 . . . . 86 . . . 5695 1 918 . 1 1 106 106 LEU HD21 H 1 -0.07 0.02 . 1 . . . . 86 . . . 5695 1 919 . 1 1 106 106 LEU HD22 H 1 -0.07 0.02 . 1 . . . . 86 . . . 5695 1 920 . 1 1 106 106 LEU HD23 H 1 -0.07 0.02 . 1 . . . . 86 . . . 5695 1 921 . 1 1 106 106 LEU C C 13 177.6 0.2 . 1 . . . . 86 . . . 5695 1 922 . 1 1 106 106 LEU CA C 13 57.4 0.2 . 1 . . . . 86 . . . 5695 1 923 . 1 1 106 106 LEU CB C 13 41.3 0.2 . 1 . . . . 86 . . . 5695 1 924 . 1 1 106 106 LEU CG C 13 25.9 0.2 . 1 . . . . 86 . . . 5695 1 925 . 1 1 106 106 LEU CD1 C 13 26.2 0.2 . 1 . . . . 86 . . . 5695 1 926 . 1 1 106 106 LEU CD2 C 13 21.4 0.2 . 1 . . . . 86 . . . 5695 1 927 . 1 1 106 106 LEU N N 15 118.3 0.2 . 1 . . . . 86 . . . 5695 1 928 . 1 1 107 107 ARG H H 1 8.17 0.02 . 1 . . . . 87 . . . 5695 1 929 . 1 1 107 107 ARG HA H 1 4.10 0.02 . 1 . . . . 87 . . . 5695 1 930 . 1 1 107 107 ARG HB2 H 1 1.73 0.02 . 2 . . . . 87 . . . 5695 1 931 . 1 1 107 107 ARG HB3 H 1 1.81 0.02 . 2 . . . . 87 . . . 5695 1 932 . 1 1 107 107 ARG HG2 H 1 1.71 0.02 . 2 . . . . 87 . . . 5695 1 933 . 1 1 107 107 ARG HD2 H 1 2.97 0.02 . 2 . . . . 87 . . . 5695 1 934 . 1 1 107 107 ARG HD3 H 1 3.30 0.02 . 2 . . . . 87 . . . 5695 1 935 . 1 1 107 107 ARG C C 13 178.1 0.2 . 1 . . . . 87 . . . 5695 1 936 . 1 1 107 107 ARG CA C 13 58.6 0.2 . 1 . . . . 87 . . . 5695 1 937 . 1 1 107 107 ARG CB C 13 31.8 0.2 . 1 . . . . 87 . . . 5695 1 938 . 1 1 107 107 ARG CG C 13 28.5 0.2 . 1 . . . . 87 . . . 5695 1 939 . 1 1 107 107 ARG CD C 13 43.5 0.2 . 1 . . . . 87 . . . 5695 1 940 . 1 1 107 107 ARG N N 15 113.6 0.2 . 1 . . . . 87 . . . 5695 1 941 . 1 1 108 108 ASN H H 1 8.15 0.02 . 1 . . . . 88 . . . 5695 1 942 . 1 1 108 108 ASN HA H 1 5.14 0.02 . 1 . . . . 88 . . . 5695 1 943 . 1 1 108 108 ASN HB2 H 1 2.90 0.02 . 2 . . . . 88 . . . 5695 1 944 . 1 1 108 108 ASN HB3 H 1 3.16 0.02 . 2 . . . . 88 . . . 5695 1 945 . 1 1 108 108 ASN HD21 H 1 7.47 0.02 . 2 . . . . 88 . . . 5695 1 946 . 1 1 108 108 ASN HD22 H 1 7.54 0.02 . 2 . . . . 88 . . . 5695 1 947 . 1 1 108 108 ASN C C 13 175.9 0.2 . 1 . . . . 88 . . . 5695 1 948 . 1 1 108 108 ASN CA C 13 53.7 0.2 . 1 . . . . 88 . . . 5695 1 949 . 1 1 108 108 ASN CB C 13 41.1 0.2 . 1 . . . . 88 . . . 5695 1 950 . 1 1 108 108 ASN N N 15 113.6 0.2 . 1 . . . . 88 . . . 5695 1 951 . 1 1 108 108 ASN ND2 N 15 114.3 0.2 . 1 . . . . 88 . . . 5695 1 952 . 1 1 109 109 GLY H H 1 8.33 0.02 . 1 . . . . 89 . . . 5695 1 953 . 1 1 109 109 GLY HA2 H 1 3.97 0.02 . 2 . . . . 89 . . . 5695 1 954 . 1 1 109 109 GLY C C 13 171.9 0.2 . 1 . . . . 89 . . . 5695 1 955 . 1 1 109 109 GLY CA C 13 44.5 0.2 . 1 . . . . 89 . . . 5695 1 956 . 1 1 109 109 GLY N N 15 112.0 0.2 . 1 . . . . 89 . . . 5695 1 957 . 1 1 110 110 LYS H H 1 8.56 0.02 . 1 . . . . 90 . . . 5695 1 958 . 1 1 110 110 LYS HA H 1 5.05 0.02 . 1 . . . . 90 . . . 5695 1 959 . 1 1 110 110 LYS HB2 H 1 1.87 0.02 . 2 . . . . 90 . . . 5695 1 960 . 1 1 110 110 LYS HB3 H 1 1.91 0.02 . 2 . . . . 90 . . . 5695 1 961 . 1 1 110 110 LYS HG2 H 1 1.50 0.02 . 2 . . . . 90 . . . 5695 1 962 . 1 1 110 110 LYS HG3 H 1 1.55 0.02 . 2 . . . . 90 . . . 5695 1 963 . 1 1 110 110 LYS HD2 H 1 1.75 0.02 . 2 . . . . 90 . . . 5695 1 964 . 1 1 110 110 LYS HD3 H 1 1.79 0.02 . 2 . . . . 90 . . . 5695 1 965 . 1 1 110 110 LYS HE2 H 1 3.04 0.02 . 2 . . . . 90 . . . 5695 1 966 . 1 1 110 110 LYS C C 13 174.5 0.2 . 1 . . . . 90 . . . 5695 1 967 . 1 1 110 110 LYS CA C 13 52.8 0.2 . 1 . . . . 90 . . . 5695 1 968 . 1 1 110 110 LYS CB C 13 35.0 0.2 . 1 . . . . 90 . . . 5695 1 969 . 1 1 110 110 LYS CG C 13 24.4 0.2 . 1 . . . . 90 . . . 5695 1 970 . 1 1 110 110 LYS CD C 13 29.1 0.2 . 1 . . . . 90 . . . 5695 1 971 . 1 1 110 110 LYS N N 15 117.8 0.2 . 1 . . . . 90 . . . 5695 1 972 . 1 1 111 111 PRO HA H 1 4.37 0.02 . 1 . . . . 91 . . . 5695 1 973 . 1 1 111 111 PRO HB2 H 1 1.42 0.02 . 2 . . . . 91 . . . 5695 1 974 . 1 1 111 111 PRO HB3 H 1 1.63 0.02 . 2 . . . . 91 . . . 5695 1 975 . 1 1 111 111 PRO HG2 H 1 1.86 0.02 . 2 . . . . 91 . . . 5695 1 976 . 1 1 111 111 PRO HG3 H 1 1.98 0.02 . 2 . . . . 91 . . . 5695 1 977 . 1 1 111 111 PRO HD2 H 1 3.63 0.02 . 2 . . . . 91 . . . 5695 1 978 . 1 1 111 111 PRO HD3 H 1 3.72 0.02 . 2 . . . . 91 . . . 5695 1 979 . 1 1 111 111 PRO CG C 13 26.8 0.2 . 1 . . . . 91 . . . 5695 1 980 . 1 1 111 111 PRO CD C 13 50.7 0.2 . 1 . . . . 91 . . . 5695 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_set_1 _Coupling_constant_list.Entry_ID 5695 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5695 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 25 25 THR H . . . . 1 1 25 25 THR HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5695 1 2 3JHNHA . 1 1 26 26 LYS H . . . . 1 1 26 26 LYS HA . . . 6.9 . . 1.5 . . . . . . . . . . . 5695 1 3 3JHNHA . 1 1 27 27 TYR H . . . . 1 1 27 27 TYR HA . . . 8.0 . . 1.5 . . . . . . . . . . . 5695 1 4 3JHNHA . 1 1 28 28 PHE H . . . . 1 1 28 28 PHE HA . . . 7.5 . . 1.5 . . . . . . . . . . . 5695 1 5 3JHNHA . 1 1 29 29 TYR H . . . . 1 1 29 29 TYR HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5695 1 6 3JHNHA . 1 1 30 30 LYS H . . . . 1 1 30 30 LYS HA . . . 6.4 . . 1.5 . . . . . . . . . . . 5695 1 7 3JHNHA . 1 1 32 32 GLU H . . . . 1 1 32 32 GLU HA . . . 6.3 . . 1.5 . . . . . . . . . . . 5695 1 8 3JHNHA . 1 1 33 33 ASN H . . . . 1 1 33 33 ASN HA . . . 10.0 . . 1.5 . . . . . . . . . . . 5695 1 9 3JHNHA . 1 1 34 34 THR H . . . . 1 1 34 34 THR HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5695 1 10 3JHNHA . 1 1 35 35 ASP H . . . . 1 1 35 35 ASP HA . . . 7.2 . . 1.5 . . . . . . . . . . . 5695 1 11 3JHNHA . 1 1 36 36 LEU H . . . . 1 1 36 36 LEU HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5695 1 12 3JHNHA . 1 1 37 37 ILE H . . . . 1 1 37 37 ILE HA . . . 8.2 . . 1.5 . . . . . . . . . . . 5695 1 13 3JHNHA . 1 1 38 38 VAL H . . . . 1 1 38 38 VAL HA . . . 8.3 . . 1.5 . . . . . . . . . . . 5695 1 14 3JHNHA . 1 1 39 39 PHE H . . . . 1 1 39 39 PHE HA . . . 7.4 . . 1.5 . . . . . . . . . . . 5695 1 15 3JHNHA . 1 1 40 40 ALA H . . . . 1 1 40 40 ALA HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5695 1 16 3JHNHA . 1 1 41 41 ALA H . . . . 1 1 41 41 ALA HA . . . 3.4 . . 1.5 . . . . . . . . . . . 5695 1 17 3JHNHA . 1 1 42 42 SER H . . . . 1 1 42 42 SER HA . . . 4.1 . . 1.5 . . . . . . . . . . . 5695 1 18 3JHNHA . 1 1 43 43 GLU H . . . . 1 1 43 43 GLU HA . . . 3.9 . . 1.5 . . . . . . . . . . . 5695 1 19 3JHNHA . 1 1 44 44 GLU H . . . . 1 1 44 44 GLU HA . . . 4.1 . . 1.5 . . . . . . . . . . . 5695 1 20 3JHNHA . 1 1 45 45 LEU H . . . . 1 1 45 45 LEU HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5695 1 21 3JHNHA . 1 1 46 46 VAL H . . . . 1 1 46 46 VAL HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5695 1 22 3JHNHA . 1 1 47 47 ASP H . . . . 1 1 47 47 ASP HA . . . 2.9 . . 1.5 . . . . . . . . . . . 5695 1 23 3JHNHA . 1 1 48 48 GLU H . . . . 1 1 48 48 GLU HA . . . 4.8 . . 1.5 . . . . . . . . . . . 5695 1 24 3JHNHA . 1 1 49 49 TYR H . . . . 1 1 49 49 TYR HA . . . 3.9 . . 1.5 . . . . . . . . . . . 5695 1 25 3JHNHA . 1 1 50 50 LEU H . . . . 1 1 50 50 LEU HA . . . 3.2 . . 1.5 . . . . . . . . . . . 5695 1 26 3JHNHA . 1 1 51 51 LYS H . . . . 1 1 51 51 LYS HA . . . 5.6 . . 1.5 . . . . . . . . . . . 5695 1 27 3JHNHA . 1 1 52 52 ASN H . . . . 1 1 52 52 ASN HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5695 1 28 3JHNHA . 1 1 54 54 SER H . . . . 1 1 54 54 SER HA . . . 5.7 . . 1.5 . . . . . . . . . . . 5695 1 29 3JHNHA . 1 1 57 57 LYS H . . . . 1 1 57 57 LYS HA . . . 5.8 . . 1.5 . . . . . . . . . . . 5695 1 30 3JHNHA . 1 1 58 58 LEU H . . . . 1 1 58 58 LEU HA . . . 3.9 . . 1.5 . . . . . . . . . . . 5695 1 31 3JHNHA . 1 1 59 59 SER H . . . . 1 1 59 59 SER HA . . . 3.9 . . 1.5 . . . . . . . . . . . 5695 1 32 3JHNHA . 1 1 60 60 GLU H . . . . 1 1 60 60 GLU HA . . . 7.2 . . 1.5 . . . . . . . . . . . 5695 1 33 3JHNHA . 1 1 61 61 VAL H . . . . 1 1 61 61 VAL HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5695 1 34 3JHNHA . 1 1 62 62 VAL H . . . . 1 1 62 62 VAL HA . . . 7.4 . . 1.5 . . . . . . . . . . . 5695 1 35 3JHNHA . 1 1 63 63 GLU H . . . . 1 1 63 63 GLU HA . . . 6.8 . . 1.5 . . . . . . . . . . . 5695 1 36 3JHNHA . 1 1 64 64 LEU H . . . . 1 1 64 64 LEU HA . . . 7.6 . . 1.5 . . . . . . . . . . . 5695 1 37 3JHNHA . 1 1 66 66 GLU H . . . . 1 1 66 66 GLU HA . . . 7.0 . . 1.5 . . . . . . . . . . . 5695 1 38 3JHNHA . 1 1 67 67 VAL H . . . . 1 1 67 67 VAL HA . . . 8.4 . . 1.5 . . . . . . . . . . . 5695 1 39 3JHNHA . 1 1 68 68 PHE H . . . . 1 1 68 68 PHE HA . . . 8.8 . . 1.5 . . . . . . . . . . . 5695 1 40 3JHNHA . 1 1 69 69 THR H . . . . 1 1 69 69 THR HA . . . 6.9 . . 1.5 . . . . . . . . . . . 5695 1 41 3JHNHA . 1 1 77 77 GLU H . . . . 1 1 77 77 GLU HA . . . 7.7 . . 1.5 . . . . . . . . . . . 5695 1 42 3JHNHA . 1 1 80 80 LEU H . . . . 1 1 80 80 LEU HA . . . 7.1 . . 1.5 . . . . . . . . . . . 5695 1 43 3JHNHA . 1 1 83 83 ALA H . . . . 1 1 83 83 ALA HA . . . 5.9 . . 1.5 . . . . . . . . . . . 5695 1 44 3JHNHA . 1 1 84 84 SER H . . . . 1 1 84 84 SER HA . . . 6.5 . . 1.5 . . . . . . . . . . . 5695 1 45 3JHNHA . 1 1 87 87 GLN H . . . . 1 1 87 87 GLN HA . . . 4.3 . . 1.5 . . . . . . . . . . . 5695 1 46 3JHNHA . 1 1 88 88 VAL H . . . . 1 1 88 88 VAL HA . . . 4.8 . . 1.5 . . . . . . . . . . . 5695 1 47 3JHNHA . 1 1 89 89 GLU H . . . . 1 1 89 89 GLU HA . . . 4.1 . . 1.5 . . . . . . . . . . . 5695 1 48 3JHNHA . 1 1 90 90 ASN H . . . . 1 1 90 90 ASN HA . . . 4.1 . . 1.5 . . . . . . . . . . . 5695 1 49 3JHNHA . 1 1 91 91 GLU H . . . . 1 1 91 91 GLU HA . . . 7.6 . . 1.5 . . . . . . . . . . . 5695 1 50 3JHNHA . 1 1 92 92 PHE H . . . . 1 1 92 92 PHE HA . . . 8.6 . . 1.5 . . . . . . . . . . . 5695 1 51 3JHNHA . 1 1 94 94 LYS H . . . . 1 1 94 94 LYS HA . . . 5.1 . . 1.5 . . . . . . . . . . . 5695 1 52 3JHNHA . 1 1 96 96 LYS H . . . . 1 1 96 96 LYS HA . . . 5.9 . . 1.5 . . . . . . . . . . . 5695 1 53 3JHNHA . 1 1 97 97 LYS H . . . . 1 1 97 97 LYS HA . . . 6.3 . . 1.5 . . . . . . . . . . . 5695 1 54 3JHNHA . 1 1 99 99 GLU H . . . . 1 1 99 99 GLU HA . . . 3.2 . . 1.5 . . . . . . . . . . . 5695 1 55 3JHNHA . 1 1 100 100 GLU H . . . . 1 1 100 100 GLU HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5695 1 56 3JHNHA . 1 1 101 101 VAL H . . . . 1 1 101 101 VAL HA . . . 4.3 . . 1.5 . . . . . . . . . . . 5695 1 57 3JHNHA . 1 1 103 103 ASP H . . . . 1 1 103 103 ASP HA . . . 3.4 . . 1.5 . . . . . . . . . . . 5695 1 58 3JHNHA . 1 1 104 104 LEU H . . . . 1 1 104 104 LEU HA . . . 3.4 . . 1.5 . . . . . . . . . . . 5695 1 59 3JHNHA . 1 1 105 105 ILE H . . . . 1 1 105 105 ILE HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5695 1 60 3JHNHA . 1 1 106 106 LEU H . . . . 1 1 106 106 LEU HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5695 1 stop_ save_