data_5297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5297 _Entry.Title ; 1H, 13C, and 15N assignment of the N-terminal, DNA-binding domain of the replication initiation protein from a geminivirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-19 _Entry.Accession_date 2002-02-19 _Entry.Last_release_date 2002-09-11 _Entry.Original_release_date 2002-09-11 _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 Ramon Campos-Olivas . . . 5297 2 John Louis . M. . 5297 3 J. Clerot . M. . 5297 4 Bruno Gronenborn . . . 5297 5 Angela Gronenborn . M. . 5297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5297 coupling_constants 1 5297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 769 5297 '13C chemical shifts' 518 5297 '15N chemical shifts' 132 5297 'coupling constants' 84 5297 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 . . 2002-09-11 2002-02-19 original author . 5297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5341 'longer protein, containing Rep1-136 and N-terminal Histidine tag.' 5297 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5297 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22155869 _Citation.DOI . _Citation.PubMed_ID 12130667 _Citation.Full_citation . _Citation.Title ; The Structure of a Replication Initiator unites Diverse aspects of Nucleic Acid Metabolism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 16 _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 10310 _Citation.Page_last 10315 _Citation.Year 2002 _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 Ramon Campos-Olivas . . . 5297 1 2 John Louis . M. . 5297 1 3 J. Clerot . M. . 5297 1 4 Bruno Gronenborn . . . 5297 1 5 Angela Gronenborn . M. . 5297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NTD-Rep _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NTD-Rep _Assembly.Entry_ID 5297 _Assembly.ID 1 _Assembly.Name 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _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 'all free' _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 5297 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 'NTD-Rep, rep4-121' 1 $rep4-121 . . . native . . . . . 5297 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal DNA-binding domain of Rep protein from a geminivirus' system 5297 1 'NTD-Rep, DBD-Rep, Rep4-121' abbreviation 5297 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Initiation of geminiviral replication (nuclease)' 5297 1 'Termination of replication (ligase)' 5297 1 'genome replication specificity determinant' 5297 1 'Transcriptional autorepressor' 5297 1 'Transcriptional Activator' 5297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rep4-121 _Entity.Sf_category entity _Entity.Sf_framecode rep4-121 _Entity.Entry_ID 5297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _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 ; SGRFSIKAKNYFLTYPKCDL TKENALSQITNLQTPTNKLF IKICRELHENGEPHLHILIQ FEGKYNCTNQRFFDLVSPTR SAHFHPNIQGAKSSSDVKSY IDKDGDVLEWGTFQIDGR ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13563.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 5341 . H6_rep1-136 . . . . . 100.00 159 100.00 100.00 4.03e-82 . . . . 5297 1 2 no PDB 1L2M . "Minimized Average Structure Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tom" . . . . . 100.00 118 100.00 100.00 2.80e-82 . . . . 5297 1 3 no PDB 1L5I . "30-Conformer Nmr Ensemble Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tomat" . . . . . 100.00 118 100.00 100.00 2.80e-82 . . . . 5297 1 4 no EMBL CAA43466 . "Rep protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 100.00 359 100.00 100.00 8.51e-80 . . . . 5297 1 5 no GB ABC71734 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 60.17 74 98.59 100.00 7.58e-44 . . . . 5297 1 6 no GB ABC71737 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 60.17 74 98.59 100.00 7.58e-44 . . . . 5297 1 7 no GB ABC71739 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 60.17 74 98.59 100.00 7.58e-44 . . . . 5297 1 8 no GB ABC71740 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 60.17 74 98.59 100.00 7.58e-44 . . . . 5297 1 9 no GB ABC71742 . "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 60.17 74 98.59 100.00 7.58e-44 . . . . 5297 1 10 no REF NP_620741 . "Rep protein [Tomato yellow leaf curl Sardinia virus]" . . . . . 100.00 359 100.00 100.00 8.51e-80 . . . . 5297 1 11 no SP P27260 . "RecName: Full=Replication-associated protein; Short=Rep; AltName: Full=Protein C1 [Tomato yellow leaf curl Sardinia virus]" . . . . . 100.00 359 100.00 100.00 8.51e-80 . . . . 5297 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal DNA-binding domain of Rep protein from a geminivirus' common 5297 1 rep4-121 variant 5297 1 'NTD-Rep, DBD-Rep, Rep' abbreviation 5297 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 4 SER . 5297 1 2 5 GLY . 5297 1 3 6 ARG . 5297 1 4 7 PHE . 5297 1 5 8 SER . 5297 1 6 9 ILE . 5297 1 7 10 LYS . 5297 1 8 11 ALA . 5297 1 9 12 LYS . 5297 1 10 13 ASN . 5297 1 11 14 TYR . 5297 1 12 15 PHE . 5297 1 13 16 LEU . 5297 1 14 17 THR . 5297 1 15 18 TYR . 5297 1 16 19 PRO . 5297 1 17 20 LYS . 5297 1 18 21 CYS . 5297 1 19 22 ASP . 5297 1 20 23 LEU . 5297 1 21 24 THR . 5297 1 22 25 LYS . 5297 1 23 26 GLU . 5297 1 24 27 ASN . 5297 1 25 28 ALA . 5297 1 26 29 LEU . 5297 1 27 30 SER . 5297 1 28 31 GLN . 5297 1 29 32 ILE . 5297 1 30 33 THR . 5297 1 31 34 ASN . 5297 1 32 35 LEU . 5297 1 33 36 GLN . 5297 1 34 37 THR . 5297 1 35 38 PRO . 5297 1 36 39 THR . 5297 1 37 40 ASN . 5297 1 38 41 LYS . 5297 1 39 42 LEU . 5297 1 40 43 PHE . 5297 1 41 44 ILE . 5297 1 42 45 LYS . 5297 1 43 46 ILE . 5297 1 44 47 CYS . 5297 1 45 48 ARG . 5297 1 46 49 GLU . 5297 1 47 50 LEU . 5297 1 48 51 HIS . 5297 1 49 52 GLU . 5297 1 50 53 ASN . 5297 1 51 54 GLY . 5297 1 52 55 GLU . 5297 1 53 56 PRO . 5297 1 54 57 HIS . 5297 1 55 58 LEU . 5297 1 56 59 HIS . 5297 1 57 60 ILE . 5297 1 58 61 LEU . 5297 1 59 62 ILE . 5297 1 60 63 GLN . 5297 1 61 64 PHE . 5297 1 62 65 GLU . 5297 1 63 66 GLY . 5297 1 64 67 LYS . 5297 1 65 68 TYR . 5297 1 66 69 ASN . 5297 1 67 70 CYS . 5297 1 68 71 THR . 5297 1 69 72 ASN . 5297 1 70 73 GLN . 5297 1 71 74 ARG . 5297 1 72 75 PHE . 5297 1 73 76 PHE . 5297 1 74 77 ASP . 5297 1 75 78 LEU . 5297 1 76 79 VAL . 5297 1 77 80 SER . 5297 1 78 81 PRO . 5297 1 79 82 THR . 5297 1 80 83 ARG . 5297 1 81 84 SER . 5297 1 82 85 ALA . 5297 1 83 86 HIS . 5297 1 84 87 PHE . 5297 1 85 88 HIS . 5297 1 86 89 PRO . 5297 1 87 90 ASN . 5297 1 88 91 ILE . 5297 1 89 92 GLN . 5297 1 90 93 GLY . 5297 1 91 94 ALA . 5297 1 92 95 LYS . 5297 1 93 96 SER . 5297 1 94 97 SER . 5297 1 95 98 SER . 5297 1 96 99 ASP . 5297 1 97 100 VAL . 5297 1 98 101 LYS . 5297 1 99 102 SER . 5297 1 100 103 TYR . 5297 1 101 104 ILE . 5297 1 102 105 ASP . 5297 1 103 106 LYS . 5297 1 104 107 ASP . 5297 1 105 108 GLY . 5297 1 106 109 ASP . 5297 1 107 110 VAL . 5297 1 108 111 LEU . 5297 1 109 112 GLU . 5297 1 110 113 TRP . 5297 1 111 114 GLY . 5297 1 112 115 THR . 5297 1 113 116 PHE . 5297 1 114 117 GLN . 5297 1 115 118 ILE . 5297 1 116 119 ASP . 5297 1 117 120 GLY . 5297 1 118 121 ARG . 5297 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 5297 1 . GLY 2 2 5297 1 . ARG 3 3 5297 1 . PHE 4 4 5297 1 . SER 5 5 5297 1 . ILE 6 6 5297 1 . LYS 7 7 5297 1 . ALA 8 8 5297 1 . LYS 9 9 5297 1 . ASN 10 10 5297 1 . TYR 11 11 5297 1 . PHE 12 12 5297 1 . LEU 13 13 5297 1 . THR 14 14 5297 1 . TYR 15 15 5297 1 . PRO 16 16 5297 1 . LYS 17 17 5297 1 . CYS 18 18 5297 1 . ASP 19 19 5297 1 . LEU 20 20 5297 1 . THR 21 21 5297 1 . LYS 22 22 5297 1 . GLU 23 23 5297 1 . ASN 24 24 5297 1 . ALA 25 25 5297 1 . LEU 26 26 5297 1 . SER 27 27 5297 1 . GLN 28 28 5297 1 . ILE 29 29 5297 1 . THR 30 30 5297 1 . ASN 31 31 5297 1 . LEU 32 32 5297 1 . GLN 33 33 5297 1 . THR 34 34 5297 1 . PRO 35 35 5297 1 . THR 36 36 5297 1 . ASN 37 37 5297 1 . LYS 38 38 5297 1 . LEU 39 39 5297 1 . PHE 40 40 5297 1 . ILE 41 41 5297 1 . LYS 42 42 5297 1 . ILE 43 43 5297 1 . CYS 44 44 5297 1 . ARG 45 45 5297 1 . GLU 46 46 5297 1 . LEU 47 47 5297 1 . HIS 48 48 5297 1 . GLU 49 49 5297 1 . ASN 50 50 5297 1 . GLY 51 51 5297 1 . GLU 52 52 5297 1 . PRO 53 53 5297 1 . HIS 54 54 5297 1 . LEU 55 55 5297 1 . HIS 56 56 5297 1 . ILE 57 57 5297 1 . LEU 58 58 5297 1 . ILE 59 59 5297 1 . GLN 60 60 5297 1 . PHE 61 61 5297 1 . GLU 62 62 5297 1 . GLY 63 63 5297 1 . LYS 64 64 5297 1 . TYR 65 65 5297 1 . ASN 66 66 5297 1 . CYS 67 67 5297 1 . THR 68 68 5297 1 . ASN 69 69 5297 1 . GLN 70 70 5297 1 . ARG 71 71 5297 1 . PHE 72 72 5297 1 . PHE 73 73 5297 1 . ASP 74 74 5297 1 . LEU 75 75 5297 1 . VAL 76 76 5297 1 . SER 77 77 5297 1 . PRO 78 78 5297 1 . THR 79 79 5297 1 . ARG 80 80 5297 1 . SER 81 81 5297 1 . ALA 82 82 5297 1 . HIS 83 83 5297 1 . PHE 84 84 5297 1 . HIS 85 85 5297 1 . PRO 86 86 5297 1 . ASN 87 87 5297 1 . ILE 88 88 5297 1 . GLN 89 89 5297 1 . GLY 90 90 5297 1 . ALA 91 91 5297 1 . LYS 92 92 5297 1 . SER 93 93 5297 1 . SER 94 94 5297 1 . SER 95 95 5297 1 . ASP 96 96 5297 1 . VAL 97 97 5297 1 . LYS 98 98 5297 1 . SER 99 99 5297 1 . TYR 100 100 5297 1 . ILE 101 101 5297 1 . ASP 102 102 5297 1 . LYS 103 103 5297 1 . ASP 104 104 5297 1 . GLY 105 105 5297 1 . ASP 106 106 5297 1 . VAL 107 107 5297 1 . LEU 108 108 5297 1 . GLU 109 109 5297 1 . TRP 110 110 5297 1 . GLY 111 111 5297 1 . THR 112 112 5297 1 . PHE 113 113 5297 1 . GLN 114 114 5297 1 . ILE 115 115 5297 1 . ASP 116 116 5297 1 . GLY 117 117 5297 1 . ARG 118 118 5297 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 5297 _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 $rep4-121 . 123735 . . 'Begomovirus Tomato yellow leaf curl virus - Sardinia' 'Tomato yellow leaf curl virus - Sardinia' . . Viruses . Begomovirus 'Tomato yellow leaf curl virus - Sardinia' Sardinia . . . . . . . . . . . . . . . 'rep, ac1, c1' . . . . 5297 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 5297 _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 $rep4-121 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; DNA coding for rep1-136 was inserted into plasmid pQE-32 and overexpressed in E.coli strain M15pRep4 (Qiagen), resulting in production of H6_rep1-136, that contains a non-native N-terminal tag of 23 residues, including a row of 6 his. The backbone assignment for this are reported in the related entry BMRB-5341. For the complete assignment reported here, the shorter construct rep4-121 was produced by proteolysis of H6-rep1-136 with factor Xa. ; . . 5297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5297 _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 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[10%-13C; U-99% 15N]' . . 1 $rep4-121 . . . 0.8 1.0 mM . . . . 5297 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5297 1 3 NaCl . . . . . . . 100 . . mM . . . . 5297 1 4 DTT . . . . . . . 1 . . mM . . . . 5297 1 5 D2O . . . . . . . 8 . . % . . . . 5297 1 6 H2O . . . . . . . 92 . . % . . . . 5297 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5297 _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 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-13C; U-99% 15N]' . . 1 $rep4-121 . . . 0.8 1.0 mM . . . . 5297 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5297 2 3 NaCl . . . . . . . 100 . . mM . . . . 5297 2 4 DTT . . . . . . . 1 . . mM . . . . 5297 2 5 D2O . . . . . . . 8 . . % . . . . 5297 2 6 H2O . . . . . . . 92 . . % . . . . 5297 2 stop_ save_ save_sample3 _Sample.Sf_category sample _Sample.Sf_framecode sample3 _Sample.Entry_ID 5297 _Sample.ID 3 _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 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-10% 13C; U-99% 15N]' . . 1 $rep4-121 . . . 0.8 1.0 mM . . . . 5297 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5297 3 3 NaCl . . . . . . . 100 . . mM . . . . 5297 3 4 DTT . . . . . . . 1 . . mM . . . . 5297 3 5 D2O . . . . . . . 100 . . % . . . . 5297 3 stop_ save_ save_sample4 _Sample.Sf_category sample _Sample.Sf_framecode sample4 _Sample.Entry_ID 5297 _Sample.ID 4 _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 'N-terminal DNA-binding domain of Rep protein from a geminivirus' '[U-13C; U-99% 15N]' . . 1 $rep4-121 . . . 0.8 1.0 mM . . . . 5297 4 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5297 4 3 NaCl . . . . . . . 100 . . mM . . . . 5297 4 4 DTT . . . . . . . 1 . . mM . . . . 5297 4 5 D2O . . . . . . . 100 . . % . . . . 5297 4 stop_ save_ ####################### # Sample conditions # ####################### save_cond_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_H2O _Sample_condition_list.Entry_ID 5297 _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 6.6 0.1 n/a 5297 1 temperature 298 0.5 K 5297 1 'ionic strength' 0.3 0.02 M 5297 1 stop_ save_ save_cond_D2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_D2O _Sample_condition_list.Entry_ID 5297 _Sample_condition_list.ID 2 _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* 6.6 0.1 n/a 5297 2 temperature 298 0.5 K 5297 2 'ionic strength' 0.3 0.02 M 5297 2 stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 5297 _Software.ID 1 _Software.Name nmrpipe _Software.Version . _Software.Details http://spin.niddk.nih.gov/bax/ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5297 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 5297 _Software.ID 2 _Software.Name nmrview _Software.Version 4.1.1 _Software.Details http://www.nmrview.com/index.html loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5297 2 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 5297 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5297 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 5297 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5297 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 5297 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5297 _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 Bruker DMX . 500 . . . 5297 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5297 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 5297 1 4 NMR_spectrometer_4 Bruker DMX . 750 . . . 5297 1 5 NMR_spectrometer_5 Bruker DRX . 800 . . . 5297 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 5297 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 4 '2D 1H-15N HSQC long range' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 5 '2D 1H-13C HSQC/HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 7 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 8 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 9 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 10 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 11 '2D HNCOCG arom' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 12 '2D HNCO arom' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 13 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 14 '4D 15N,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 1 15 '4D 13C,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5297 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 5297 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _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 5297 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _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 5297 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC long range' _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 5297 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-13C HSQC/HMQC' _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 5297 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNHA' _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNHB' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D HNCOCG arom' _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D HNCO arom' _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 15N-edited NOESY' _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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '4D 15N,13C NOESY' _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_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5297 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '4D 13C,13C NOESY' _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 5297 _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 H2O 'water signal' . . . . ppm 4.774 internal direct 1.0 . . . . . . . . . 5297 1 N 15 H2O 'water signal' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5297 1 C 13 H2O 'water signal' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5297 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_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_set_1 _Assigned_chem_shift_list.Entry_ID 5297 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_H2O _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 $sample1 . 5297 1 . . 2 $sample2 . 5297 1 . . 3 $sample3 . 5297 1 . . 4 $sample4 . 5297 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 57.64 0.1 . 1 . . . . . . . . 5297 1 2 . 1 1 1 1 SER HA H 1 4.09 0.04 . 1 . . . . . . . . 5297 1 3 . 1 1 1 1 SER CB C 13 63.93 0.1 . 1 . . . . . . . . 5297 1 4 . 1 1 1 1 SER HB2 H 1 3.99 0.04 . 2 . . . . . . . . 5297 1 5 . 1 1 2 2 GLY CA C 13 44.95 0.1 . 1 . . . . . . . . 5297 1 6 . 1 1 2 2 GLY HA2 H 1 4.09 0.04 . 2 . . . . . . . . 5297 1 7 . 1 1 2 2 GLY C C 13 173.92 0.1 . 1 . . . . . . . . 5297 1 8 . 1 1 3 3 ARG N N 15 120.94 0.05 . 1 . . . . . . . . 5297 1 9 . 1 1 3 3 ARG H H 1 8.38 0.04 . 1 . . . . . . . . 5297 1 10 . 1 1 3 3 ARG CA C 13 55.87 0.1 . 1 . . . . . . . . 5297 1 11 . 1 1 3 3 ARG HA H 1 4.40 0.04 . 1 . . . . . . . . 5297 1 12 . 1 1 3 3 ARG CB C 13 30.84 0.1 . 1 . . . . . . . . 5297 1 13 . 1 1 3 3 ARG HB3 H 1 1.81 0.04 . 2 . . . . . . . . 5297 1 14 . 1 1 3 3 ARG HB2 H 1 1.89 0.04 . 2 . . . . . . . . 5297 1 15 . 1 1 3 3 ARG CG C 13 26.98 0.1 . 1 . . . . . . . . 5297 1 16 . 1 1 3 3 ARG HG3 H 1 1.62 0.04 . 2 . . . . . . . . 5297 1 17 . 1 1 3 3 ARG HG2 H 1 1.67 0.04 . 2 . . . . . . . . 5297 1 18 . 1 1 3 3 ARG CD C 13 43.15 0.1 . 1 . . . . . . . . 5297 1 19 . 1 1 3 3 ARG HD2 H 1 3.25 0.04 . 2 . . . . . . . . 5297 1 20 . 1 1 3 3 ARG C C 13 175.69 0.1 . 1 . . . . . . . . 5297 1 21 . 1 1 4 4 PHE N N 15 125.20 0.05 . 1 . . . . . . . . 5297 1 22 . 1 1 4 4 PHE H H 1 8.56 0.04 . 1 . . . . . . . . 5297 1 23 . 1 1 4 4 PHE CA C 13 58.49 0.1 . 1 . . . . . . . . 5297 1 24 . 1 1 4 4 PHE HA H 1 4.48 0.04 . 1 . . . . . . . . 5297 1 25 . 1 1 4 4 PHE CB C 13 40.37 0.1 . 1 . . . . . . . . 5297 1 26 . 1 1 4 4 PHE HB3 H 1 2.94 0.04 . 1 . . . . . . . . 5297 1 27 . 1 1 4 4 PHE HB2 H 1 3.13 0.04 . 1 . . . . . . . . 5297 1 28 . 1 1 4 4 PHE CD1 C 13 132.03 0.1 . 3 . . . . . . . . 5297 1 29 . 1 1 4 4 PHE HD1 H 1 7.13 0.04 . 3 . . . . . . . . 5297 1 30 . 1 1 4 4 PHE CE1 C 13 131.17 0.1 . 3 . . . . . . . . 5297 1 31 . 1 1 4 4 PHE HE1 H 1 7.35 0.04 . 3 . . . . . . . . 5297 1 32 . 1 1 4 4 PHE CZ C 13 129.35 0.1 . 1 . . . . . . . . 5297 1 33 . 1 1 4 4 PHE HZ H 1 7.28 0.04 . 1 . . . . . . . . 5297 1 34 . 1 1 4 4 PHE C C 13 174.69 0.1 . 1 . . . . . . . . 5297 1 35 . 1 1 5 5 SER N N 15 120.51 0.05 . 1 . . . . . . . . 5297 1 36 . 1 1 5 5 SER H H 1 7.66 0.04 . 1 . . . . . . . . 5297 1 37 . 1 1 5 5 SER CA C 13 57.48 0.1 . 1 . . . . . . . . 5297 1 38 . 1 1 5 5 SER HA H 1 4.58 0.04 . 1 . . . . . . . . 5297 1 39 . 1 1 5 5 SER CB C 13 63.23 0.1 . 1 . . . . . . . . 5297 1 40 . 1 1 5 5 SER HB3 H 1 3.47 0.04 . 1 . . . . . . . . 5297 1 41 . 1 1 5 5 SER HB2 H 1 3.68 0.04 . 1 . . . . . . . . 5297 1 42 . 1 1 5 5 SER C C 13 172.98 0.1 . 1 . . . . . . . . 5297 1 43 . 1 1 6 6 ILE N N 15 127.30 0.05 . 1 . . . . . . . . 5297 1 44 . 1 1 6 6 ILE H H 1 8.09 0.04 . 1 . . . . . . . . 5297 1 45 . 1 1 6 6 ILE CA C 13 59.94 0.1 . 1 . . . . . . . . 5297 1 46 . 1 1 6 6 ILE HA H 1 4.16 0.04 . 1 . . . . . . . . 5297 1 47 . 1 1 6 6 ILE CB C 13 40.83 0.1 . 1 . . . . . . . . 5297 1 48 . 1 1 6 6 ILE HB H 1 1.73 0.04 . 1 . . . . . . . . 5297 1 49 . 1 1 6 6 ILE CG1 C 13 27.17 0.1 . 1 . . . . . . . . 5297 1 50 . 1 1 6 6 ILE HG13 H 1 0.91 0.04 . 2 . . . . . . . . 5297 1 51 . 1 1 6 6 ILE HG12 H 1 1.23 0.04 . 2 . . . . . . . . 5297 1 52 . 1 1 6 6 ILE CD1 C 13 14.09 0.1 . 1 . . . . . . . . 5297 1 53 . 1 1 6 6 ILE HD11 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 54 . 1 1 6 6 ILE HD12 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 55 . 1 1 6 6 ILE HD13 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 56 . 1 1 6 6 ILE CG2 C 13 16.95 0.1 . 1 . . . . . . . . 5297 1 57 . 1 1 6 6 ILE HG21 H 1 0.73 0.04 . 1 . . . . . . . . 5297 1 58 . 1 1 6 6 ILE HG22 H 1 0.73 0.04 . 1 . . . . . . . . 5297 1 59 . 1 1 6 6 ILE HG23 H 1 0.73 0.04 . 1 . . . . . . . . 5297 1 60 . 1 1 6 6 ILE C C 13 174.18 0.1 . 1 . . . . . . . . 5297 1 61 . 1 1 7 7 LYS N N 15 127.21 0.05 . 1 . . . . . . . . 5297 1 62 . 1 1 7 7 LYS H H 1 8.63 0.04 . 1 . . . . . . . . 5297 1 63 . 1 1 7 7 LYS CA C 13 55.54 0.1 . 1 . . . . . . . . 5297 1 64 . 1 1 7 7 LYS HA H 1 4.96 0.04 . 1 . . . . . . . . 5297 1 65 . 1 1 7 7 LYS CB C 13 34.15 0.1 . 1 . . . . . . . . 5297 1 66 . 1 1 7 7 LYS HB2 H 1 1.56 0.04 . 2 . . . . . . . . 5297 1 67 . 1 1 7 7 LYS CG C 13 25.64 0.1 . 1 . . . . . . . . 5297 1 68 . 1 1 7 7 LYS HG2 H 1 1.01 0.04 . 2 . . . . . . . . 5297 1 69 . 1 1 7 7 LYS CD C 13 29.36 0.1 . 1 . . . . . . . . 5297 1 70 . 1 1 7 7 LYS HD3 H 1 1.53 0.04 . 2 . . . . . . . . 5297 1 71 . 1 1 7 7 LYS HD2 H 1 1.59 0.04 . 2 . . . . . . . . 5297 1 72 . 1 1 7 7 LYS CE C 13 41.48 0.1 . 1 . . . . . . . . 5297 1 73 . 1 1 7 7 LYS HE2 H 1 2.74 0.04 . 2 . . . . . . . . 5297 1 74 . 1 1 7 7 LYS C C 13 173.40 0.1 . 1 . . . . . . . . 5297 1 75 . 1 1 8 8 ALA N N 15 124.07 0.05 . 1 . . . . . . . . 5297 1 76 . 1 1 8 8 ALA H H 1 7.85 0.04 . 1 . . . . . . . . 5297 1 77 . 1 1 8 8 ALA CA C 13 51.78 0.1 . 1 . . . . . . . . 5297 1 78 . 1 1 8 8 ALA HA H 1 4.70 0.04 . 1 . . . . . . . . 5297 1 79 . 1 1 8 8 ALA CB C 13 22.00 0.1 . 1 . . . . . . . . 5297 1 80 . 1 1 8 8 ALA HB1 H 1 1.21 0.04 . 1 . . . . . . . . 5297 1 81 . 1 1 8 8 ALA HB2 H 1 1.21 0.04 . 1 . . . . . . . . 5297 1 82 . 1 1 8 8 ALA HB3 H 1 1.21 0.04 . 1 . . . . . . . . 5297 1 83 . 1 1 8 8 ALA C C 13 175.55 0.1 . 1 . . . . . . . . 5297 1 84 . 1 1 9 9 LYS N N 15 121.73 0.05 . 1 . . . . . . . . 5297 1 85 . 1 1 9 9 LYS H H 1 8.96 0.04 . 1 . . . . . . . . 5297 1 86 . 1 1 9 9 LYS CA C 13 57.91 0.1 . 1 . . . . . . . . 5297 1 87 . 1 1 9 9 LYS HA H 1 4.95 0.04 . 1 . . . . . . . . 5297 1 88 . 1 1 9 9 LYS CB C 13 34.59 0.1 . 1 . . . . . . . . 5297 1 89 . 1 1 9 9 LYS HB3 H 1 1.78 0.04 . 2 . . . . . . . . 5297 1 90 . 1 1 9 9 LYS HB2 H 1 1.92 0.04 . 2 . . . . . . . . 5297 1 91 . 1 1 9 9 LYS CG C 13 25.52 0.1 . 1 . . . . . . . . 5297 1 92 . 1 1 9 9 LYS HG3 H 1 1.39 0.04 . 2 . . . . . . . . 5297 1 93 . 1 1 9 9 LYS HG2 H 1 1.59 0.04 . 2 . . . . . . . . 5297 1 94 . 1 1 9 9 LYS CD C 13 29.62 0.1 . 1 . . . . . . . . 5297 1 95 . 1 1 9 9 LYS HD2 H 1 1.75 0.04 . 2 . . . . . . . . 5297 1 96 . 1 1 9 9 LYS CE C 13 41.90 0.1 . 1 . . . . . . . . 5297 1 97 . 1 1 9 9 LYS HE2 H 1 3.04 0.04 . 2 . . . . . . . . 5297 1 98 . 1 1 9 9 LYS C C 13 174.61 0.1 . 1 . . . . . . . . 5297 1 99 . 1 1 10 10 ASN N N 15 114.83 0.05 . 1 . . . . . . . . 5297 1 100 . 1 1 10 10 ASN H H 1 7.81 0.04 . 1 . . . . . . . . 5297 1 101 . 1 1 10 10 ASN CA C 13 51.63 0.1 . 1 . . . . . . . . 5297 1 102 . 1 1 10 10 ASN HA H 1 6.05 0.04 . 1 . . . . . . . . 5297 1 103 . 1 1 10 10 ASN CB C 13 41.29 0.1 . 1 . . . . . . . . 5297 1 104 . 1 1 10 10 ASN HB3 H 1 2.14 0.04 . 1 . . . . . . . . 5297 1 105 . 1 1 10 10 ASN HB2 H 1 2.95 0.04 . 1 . . . . . . . . 5297 1 106 . 1 1 10 10 ASN ND2 N 15 112.94 0.05 . 1 . . . . . . . . 5297 1 107 . 1 1 10 10 ASN HD21 H 1 7.21 0.04 . 1 . . . . . . . . 5297 1 108 . 1 1 10 10 ASN HD22 H 1 7.17 0.04 . 1 . . . . . . . . 5297 1 109 . 1 1 10 10 ASN C C 13 173.54 0.1 . 1 . . . . . . . . 5297 1 110 . 1 1 11 11 TYR N N 15 123.61 0.05 . 1 . . . . . . . . 5297 1 111 . 1 1 11 11 TYR H H 1 9.62 0.04 . 1 . . . . . . . . 5297 1 112 . 1 1 11 11 TYR CA C 13 57.51 0.1 . 1 . . . . . . . . 5297 1 113 . 1 1 11 11 TYR HA H 1 4.88 0.04 . 1 . . . . . . . . 5297 1 114 . 1 1 11 11 TYR CB C 13 42.36 0.1 . 1 . . . . . . . . 5297 1 115 . 1 1 11 11 TYR HB3 H 1 3.04 0.04 . 1 . . . . . . . . 5297 1 116 . 1 1 11 11 TYR HB2 H 1 2.44 0.04 . 1 . . . . . . . . 5297 1 117 . 1 1 11 11 TYR CD1 C 13 131.90 0.1 . 3 . . . . . . . . 5297 1 118 . 1 1 11 11 TYR HD1 H 1 7.11 0.04 . 3 . . . . . . . . 5297 1 119 . 1 1 11 11 TYR CE1 C 13 117.91 0.1 . 3 . . . . . . . . 5297 1 120 . 1 1 11 11 TYR HE1 H 1 7.14 0.04 . 3 . . . . . . . . 5297 1 121 . 1 1 11 11 TYR C C 13 173.87 0.1 . 1 . . . . . . . . 5297 1 122 . 1 1 12 12 PHE N N 15 120.28 0.05 . 1 . . . . . . . . 5297 1 123 . 1 1 12 12 PHE H H 1 9.12 0.04 . 1 . . . . . . . . 5297 1 124 . 1 1 12 12 PHE CA C 13 56.25 0.1 . 1 . . . . . . . . 5297 1 125 . 1 1 12 12 PHE HA H 1 5.37 0.04 . 1 . . . . . . . . 5297 1 126 . 1 1 12 12 PHE CB C 13 41.33 0.1 . 1 . . . . . . . . 5297 1 127 . 1 1 12 12 PHE HB3 H 1 3.00 0.04 . 1 . . . . . . . . 5297 1 128 . 1 1 12 12 PHE HB2 H 1 2.72 0.04 . 1 . . . . . . . . 5297 1 129 . 1 1 12 12 PHE CD1 C 13 131.13 0.1 . 3 . . . . . . . . 5297 1 130 . 1 1 12 12 PHE HD1 H 1 6.90 0.04 . 3 . . . . . . . . 5297 1 131 . 1 1 12 12 PHE CE1 C 13 130.76 0.1 . 3 . . . . . . . . 5297 1 132 . 1 1 12 12 PHE HE1 H 1 6.71 0.04 . 3 . . . . . . . . 5297 1 133 . 1 1 12 12 PHE CZ C 13 128.75 0.1 . 1 . . . . . . . . 5297 1 134 . 1 1 12 12 PHE HZ H 1 6.76 0.04 . 1 . . . . . . . . 5297 1 135 . 1 1 12 12 PHE C C 13 174.55 0.1 . 1 . . . . . . . . 5297 1 136 . 1 1 13 13 LEU N N 15 126.65 0.05 . 1 . . . . . . . . 5297 1 137 . 1 1 13 13 LEU H H 1 9.43 0.04 . 1 . . . . . . . . 5297 1 138 . 1 1 13 13 LEU CA C 13 52.69 0.1 . 1 . . . . . . . . 5297 1 139 . 1 1 13 13 LEU HA H 1 5.21 0.04 . 1 . . . . . . . . 5297 1 140 . 1 1 13 13 LEU CB C 13 45.19 0.1 . 1 . . . . . . . . 5297 1 141 . 1 1 13 13 LEU HB3 H 1 1.06 0.04 . 1 . . . . . . . . 5297 1 142 . 1 1 13 13 LEU HB2 H 1 1.93 0.04 . 1 . . . . . . . . 5297 1 143 . 1 1 13 13 LEU CG C 13 27.03 0.1 . 1 . . . . . . . . 5297 1 144 . 1 1 13 13 LEU HG H 1 1.40 0.04 . 1 . . . . . . . . 5297 1 145 . 1 1 13 13 LEU CD1 C 13 25.43 0.1 . 1 . . . . . . . . 5297 1 146 . 1 1 13 13 LEU HD11 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 147 . 1 1 13 13 LEU HD12 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 148 . 1 1 13 13 LEU HD13 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 149 . 1 1 13 13 LEU CD2 C 13 25.44 0.1 . 1 . . . . . . . . 5297 1 150 . 1 1 13 13 LEU HD21 H 1 0.64 0.04 . 1 . . . . . . . . 5297 1 151 . 1 1 13 13 LEU HD22 H 1 0.64 0.04 . 1 . . . . . . . . 5297 1 152 . 1 1 13 13 LEU HD23 H 1 0.64 0.04 . 1 . . . . . . . . 5297 1 153 . 1 1 13 13 LEU C C 13 176.24 0.1 . 1 . . . . . . . . 5297 1 154 . 1 1 14 14 THR N N 15 117.75 0.05 . 1 . . . . . . . . 5297 1 155 . 1 1 14 14 THR H H 1 8.07 0.04 . 1 . . . . . . . . 5297 1 156 . 1 1 14 14 THR CA C 13 61.58 0.1 . 1 . . . . . . . . 5297 1 157 . 1 1 14 14 THR HA H 1 5.05 0.04 . 1 . . . . . . . . 5297 1 158 . 1 1 14 14 THR CB C 13 71.09 0.1 . 1 . . . . . . . . 5297 1 159 . 1 1 14 14 THR HB H 1 3.91 0.04 . 1 . . . . . . . . 5297 1 160 . 1 1 14 14 THR CG2 C 13 21.52 0.1 . 1 . . . . . . . . 5297 1 161 . 1 1 14 14 THR HG21 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 162 . 1 1 14 14 THR HG22 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 163 . 1 1 14 14 THR HG23 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 164 . 1 1 14 14 THR C C 13 172.54 0.1 . 1 . . . . . . . . 5297 1 165 . 1 1 15 15 TYR N N 15 126.95 0.05 . 1 . . . . . . . . 5297 1 166 . 1 1 15 15 TYR H H 1 9.70 0.04 . 1 . . . . . . . . 5297 1 167 . 1 1 15 15 TYR CA C 13 54.52 0.1 . 1 . . . . . . . . 5297 1 168 . 1 1 15 15 TYR HA H 1 4.74 0.04 . 1 . . . . . . . . 5297 1 169 . 1 1 15 15 TYR CB C 13 38.84 0.1 . 1 . . . . . . . . 5297 1 170 . 1 1 15 15 TYR HB3 H 1 2.70 0.04 . 1 . . . . . . . . 5297 1 171 . 1 1 15 15 TYR HB2 H 1 2.90 0.04 . 1 . . . . . . . . 5297 1 172 . 1 1 15 15 TYR CD1 C 13 130.60 0.1 . 3 . . . . . . . . 5297 1 173 . 1 1 15 15 TYR HD1 H 1 6.90 0.04 . 3 . . . . . . . . 5297 1 174 . 1 1 15 15 TYR CE1 C 13 117.59 0.1 . 3 . . . . . . . . 5297 1 175 . 1 1 15 15 TYR HE1 H 1 7.02 0.04 . 3 . . . . . . . . 5297 1 176 . 1 1 15 15 TYR CE2 C 13 118.74 0.1 . 3 . . . . . . . . 5297 1 177 . 1 1 15 15 TYR HE2 H 1 6.39 0.04 . 3 . . . . . . . . 5297 1 178 . 1 1 15 15 TYR CD2 C 13 132.19 0.1 . 3 . . . . . . . . 5297 1 179 . 1 1 15 15 TYR HD2 H 1 6.69 0.04 . 3 . . . . . . . . 5297 1 180 . 1 1 16 16 PRO CA C 13 61.65 0.1 . 1 . . . . . . . . 5297 1 181 . 1 1 16 16 PRO HA H 1 3.87 0.04 . 1 . . . . . . . . 5297 1 182 . 1 1 16 16 PRO CB C 13 32.75 0.1 . 1 . . . . . . . . 5297 1 183 . 1 1 16 16 PRO HB3 H 1 1.78 0.04 . 2 . . . . . . . . 5297 1 184 . 1 1 16 16 PRO HB2 H 1 2.10 0.04 . 2 . . . . . . . . 5297 1 185 . 1 1 16 16 PRO CG C 13 27.23 0.1 . 1 . . . . . . . . 5297 1 186 . 1 1 16 16 PRO HG3 H 1 1.94 0.04 . 2 . . . . . . . . 5297 1 187 . 1 1 16 16 PRO HG2 H 1 2.13 0.04 . 2 . . . . . . . . 5297 1 188 . 1 1 16 16 PRO CD C 13 51.36 0.1 . 1 . . . . . . . . 5297 1 189 . 1 1 16 16 PRO HD3 H 1 3.91 0.04 . 2 . . . . . . . . 5297 1 190 . 1 1 16 16 PRO HD2 H 1 3.99 0.04 . 2 . . . . . . . . 5297 1 191 . 1 1 16 16 PRO C C 13 176.92 0.1 . 1 . . . . . . . . 5297 1 192 . 1 1 17 17 LYS N N 15 119.34 0.05 . 1 . . . . . . . . 5297 1 193 . 1 1 17 17 LYS H H 1 7.42 0.04 . 1 . . . . . . . . 5297 1 194 . 1 1 17 17 LYS CA C 13 57.36 0.1 . 1 . . . . . . . . 5297 1 195 . 1 1 17 17 LYS HA H 1 3.71 0.04 . 1 . . . . . . . . 5297 1 196 . 1 1 17 17 LYS CB C 13 30.00 0.1 . 1 . . . . . . . . 5297 1 197 . 1 1 17 17 LYS HB3 H 1 1.82 0.04 . 2 . . . . . . . . 5297 1 198 . 1 1 17 17 LYS HB2 H 1 1.98 0.04 . 2 . . . . . . . . 5297 1 199 . 1 1 17 17 LYS CG C 13 25.89 0.1 . 1 . . . . . . . . 5297 1 200 . 1 1 17 17 LYS HG3 H 1 1.25 0.04 . 2 . . . . . . . . 5297 1 201 . 1 1 17 17 LYS HG2 H 1 1.32 0.04 . 2 . . . . . . . . 5297 1 202 . 1 1 17 17 LYS CD C 13 29.64 0.1 . 1 . . . . . . . . 5297 1 203 . 1 1 17 17 LYS HD2 H 1 1.74 0.04 . 2 . . . . . . . . 5297 1 204 . 1 1 17 17 LYS CE C 13 41.77 0.1 . 1 . . . . . . . . 5297 1 205 . 1 1 17 17 LYS HE2 H 1 3.03 0.04 . 2 . . . . . . . . 5297 1 206 . 1 1 17 17 LYS C C 13 174.74 0.1 . 1 . . . . . . . . 5297 1 207 . 1 1 18 18 CYS N N 15 118.94 0.05 . 1 . . . . . . . . 5297 1 208 . 1 1 18 18 CYS H H 1 7.57 0.04 . 1 . . . . . . . . 5297 1 209 . 1 1 18 18 CYS CA C 13 57.75 0.1 . 1 . . . . . . . . 5297 1 210 . 1 1 18 18 CYS HA H 1 3.99 0.04 . 1 . . . . . . . . 5297 1 211 . 1 1 18 18 CYS CB C 13 28.82 0.1 . 1 . . . . . . . . 5297 1 212 . 1 1 18 18 CYS HB3 H 1 2.12 0.04 . 2 . . . . . . . . 5297 1 213 . 1 1 18 18 CYS HB2 H 1 2.18 0.04 . 2 . . . . . . . . 5297 1 214 . 1 1 18 18 CYS C C 13 172.66 0.1 . 1 . . . . . . . . 5297 1 215 . 1 1 19 19 ASP N N 15 126.41 0.05 . 1 . . . . . . . . 5297 1 216 . 1 1 19 19 ASP H H 1 7.75 0.04 . 1 . . . . . . . . 5297 1 217 . 1 1 19 19 ASP CA C 13 52.82 0.1 . 1 . . . . . . . . 5297 1 218 . 1 1 19 19 ASP HA H 1 4.47 0.04 . 1 . . . . . . . . 5297 1 219 . 1 1 19 19 ASP CB C 13 39.53 0.1 . 1 . . . . . . . . 5297 1 220 . 1 1 19 19 ASP HB3 H 1 2.43 0.04 . 1 . . . . . . . . 5297 1 221 . 1 1 19 19 ASP HB2 H 1 2.98 0.04 . 1 . . . . . . . . 5297 1 222 . 1 1 19 19 ASP C C 13 175.83 0.1 . 1 . . . . . . . . 5297 1 223 . 1 1 20 20 LEU N N 15 119.30 0.05 . 1 . . . . . . . . 5297 1 224 . 1 1 20 20 LEU H H 1 6.63 0.04 . 1 . . . . . . . . 5297 1 225 . 1 1 20 20 LEU CA C 13 54.77 0.1 . 1 . . . . . . . . 5297 1 226 . 1 1 20 20 LEU HA H 1 4.21 0.04 . 1 . . . . . . . . 5297 1 227 . 1 1 20 20 LEU CB C 13 42.90 0.1 . 1 . . . . . . . . 5297 1 228 . 1 1 20 20 LEU HB3 H 1 1.13 0.04 . 2 . . . . . . . . 5297 1 229 . 1 1 20 20 LEU HB2 H 1 1.35 0.04 . 2 . . . . . . . . 5297 1 230 . 1 1 20 20 LEU CG C 13 26.77 0.1 . 1 . . . . . . . . 5297 1 231 . 1 1 20 20 LEU HG H 1 1.17 0.04 . 1 . . . . . . . . 5297 1 232 . 1 1 20 20 LEU CD1 C 13 23.68 0.1 . 1 . . . . . . . . 5297 1 233 . 1 1 20 20 LEU HD11 H 1 0.96 0.04 . 1 . . . . . . . . 5297 1 234 . 1 1 20 20 LEU HD12 H 1 0.96 0.04 . 1 . . . . . . . . 5297 1 235 . 1 1 20 20 LEU HD13 H 1 0.96 0.04 . 1 . . . . . . . . 5297 1 236 . 1 1 20 20 LEU CD2 C 13 27.11 0.1 . 1 . . . . . . . . 5297 1 237 . 1 1 20 20 LEU HD21 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 238 . 1 1 20 20 LEU HD22 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 239 . 1 1 20 20 LEU HD23 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 240 . 1 1 20 20 LEU C C 13 177.39 0.1 . 1 . . . . . . . . 5297 1 241 . 1 1 21 21 THR N N 15 110.60 0.05 . 1 . . . . . . . . 5297 1 242 . 1 1 21 21 THR H H 1 8.38 0.04 . 1 . . . . . . . . 5297 1 243 . 1 1 21 21 THR CA C 13 60.77 0.1 . 1 . . . . . . . . 5297 1 244 . 1 1 21 21 THR HA H 1 4.24 0.04 . 1 . . . . . . . . 5297 1 245 . 1 1 21 21 THR CB C 13 69.89 0.1 . 1 . . . . . . . . 5297 1 246 . 1 1 21 21 THR HB H 1 4.75 0.04 . 1 . . . . . . . . 5297 1 247 . 1 1 21 21 THR CG2 C 13 21.98 0.1 . 1 . . . . . . . . 5297 1 248 . 1 1 21 21 THR HG21 H 1 1.40 0.04 . 1 . . . . . . . . 5297 1 249 . 1 1 21 21 THR HG22 H 1 1.40 0.04 . 1 . . . . . . . . 5297 1 250 . 1 1 21 21 THR HG23 H 1 1.40 0.04 . 1 . . . . . . . . 5297 1 251 . 1 1 21 21 THR C C 13 175.59 0.1 . 1 . . . . . . . . 5297 1 252 . 1 1 22 22 LYS N N 15 119.57 0.05 . 1 . . . . . . . . 5297 1 253 . 1 1 22 22 LYS H H 1 8.87 0.04 . 1 . . . . . . . . 5297 1 254 . 1 1 22 22 LYS CA C 13 59.95 0.1 . 1 . . . . . . . . 5297 1 255 . 1 1 22 22 LYS HA H 1 3.66 0.04 . 1 . . . . . . . . 5297 1 256 . 1 1 22 22 LYS CB C 13 30.48 0.1 . 1 . . . . . . . . 5297 1 257 . 1 1 22 22 LYS HB3 H 1 1.81 0.04 . 1 . . . . . . . . 5297 1 258 . 1 1 22 22 LYS HB2 H 1 1.39 0.04 . 1 . . . . . . . . 5297 1 259 . 1 1 22 22 LYS CG C 13 23.93 0.1 . 1 . . . . . . . . 5297 1 260 . 1 1 22 22 LYS HG3 H 1 1.20 0.04 . 2 . . . . . . . . 5297 1 261 . 1 1 22 22 LYS HG2 H 1 1.72 0.04 . 2 . . . . . . . . 5297 1 262 . 1 1 22 22 LYS C C 13 177.89 0.1 . 1 . . . . . . . . 5297 1 263 . 1 1 23 23 GLU N N 15 116.59 0.05 . 1 . . . . . . . . 5297 1 264 . 1 1 23 23 GLU H H 1 9.26 0.04 . 1 . . . . . . . . 5297 1 265 . 1 1 23 23 GLU CA C 13 60.42 0.1 . 1 . . . . . . . . 5297 1 266 . 1 1 23 23 GLU HA H 1 3.69 0.04 . 1 . . . . . . . . 5297 1 267 . 1 1 23 23 GLU CB C 13 28.33 0.1 . 1 . . . . . . . . 5297 1 268 . 1 1 23 23 GLU HB3 H 1 1.91 0.04 . 2 . . . . . . . . 5297 1 269 . 1 1 23 23 GLU HB2 H 1 2.05 0.04 . 2 . . . . . . . . 5297 1 270 . 1 1 23 23 GLU CG C 13 37.12 0.1 . 1 . . . . . . . . 5297 1 271 . 1 1 23 23 GLU HG3 H 1 2.24 0.04 . 2 . . . . . . . . 5297 1 272 . 1 1 23 23 GLU HG2 H 1 2.55 0.04 . 2 . . . . . . . . 5297 1 273 . 1 1 23 23 GLU C C 13 179.00 0.1 . 1 . . . . . . . . 5297 1 274 . 1 1 24 24 ASN N N 15 120.88 0.05 . 1 . . . . . . . . 5297 1 275 . 1 1 24 24 ASN H H 1 7.96 0.04 . 1 . . . . . . . . 5297 1 276 . 1 1 24 24 ASN CA C 13 56.26 0.1 . 1 . . . . . . . . 5297 1 277 . 1 1 24 24 ASN HA H 1 4.40 0.04 . 1 . . . . . . . . 5297 1 278 . 1 1 24 24 ASN CB C 13 39.60 0.1 . 1 . . . . . . . . 5297 1 279 . 1 1 24 24 ASN HB3 H 1 2.69 0.04 . 1 . . . . . . . . 5297 1 280 . 1 1 24 24 ASN HB2 H 1 2.80 0.04 . 1 . . . . . . . . 5297 1 281 . 1 1 24 24 ASN CG C 13 175.53 0.1 . 1 . . . . . . . . 5297 1 282 . 1 1 24 24 ASN ND2 N 15 110.51 0.05 . 1 . . . . . . . . 5297 1 283 . 1 1 24 24 ASN HD21 H 1 7.65 0.04 . 1 . . . . . . . . 5297 1 284 . 1 1 24 24 ASN HD22 H 1 7.12 0.04 . 1 . . . . . . . . 5297 1 285 . 1 1 24 24 ASN C C 13 177.93 0.1 . 1 . . . . . . . . 5297 1 286 . 1 1 25 25 ALA N N 15 121.03 0.05 . 1 . . . . . . . . 5297 1 287 . 1 1 25 25 ALA H H 1 8.01 0.04 . 1 . . . . . . . . 5297 1 288 . 1 1 25 25 ALA CA C 13 55.56 0.1 . 1 . . . . . . . . 5297 1 289 . 1 1 25 25 ALA HA H 1 3.70 0.04 . 1 . . . . . . . . 5297 1 290 . 1 1 25 25 ALA CB C 13 17.59 0.1 . 1 . . . . . . . . 5297 1 291 . 1 1 25 25 ALA HB1 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 292 . 1 1 25 25 ALA HB2 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 293 . 1 1 25 25 ALA HB3 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 294 . 1 1 25 25 ALA C C 13 178.41 0.1 . 1 . . . . . . . . 5297 1 295 . 1 1 26 26 LEU N N 15 116.57 0.05 . 1 . . . . . . . . 5297 1 296 . 1 1 26 26 LEU H H 1 8.29 0.04 . 1 . . . . . . . . 5297 1 297 . 1 1 26 26 LEU CA C 13 58.42 0.1 . 1 . . . . . . . . 5297 1 298 . 1 1 26 26 LEU HA H 1 3.68 0.04 . 1 . . . . . . . . 5297 1 299 . 1 1 26 26 LEU CB C 13 40.81 0.1 . 1 . . . . . . . . 5297 1 300 . 1 1 26 26 LEU HB3 H 1 1.85 0.04 . 1 . . . . . . . . 5297 1 301 . 1 1 26 26 LEU HB2 H 1 1.35 0.04 . 1 . . . . . . . . 5297 1 302 . 1 1 26 26 LEU CG C 13 26.67 0.1 . 1 . . . . . . . . 5297 1 303 . 1 1 26 26 LEU HG H 1 1.30 0.04 . 1 . . . . . . . . 5297 1 304 . 1 1 26 26 LEU CD1 C 13 25.77 0.1 . 1 . . . . . . . . 5297 1 305 . 1 1 26 26 LEU HD11 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 306 . 1 1 26 26 LEU HD12 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 307 . 1 1 26 26 LEU HD13 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 308 . 1 1 26 26 LEU CD2 C 13 23.19 0.1 . 1 . . . . . . . . 5297 1 309 . 1 1 26 26 LEU HD21 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 310 . 1 1 26 26 LEU HD22 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 311 . 1 1 26 26 LEU HD23 H 1 0.49 0.04 . 1 . . . . . . . . 5297 1 312 . 1 1 26 26 LEU C C 13 178.73 0.1 . 1 . . . . . . . . 5297 1 313 . 1 1 27 27 SER N N 15 114.65 0.05 . 1 . . . . . . . . 5297 1 314 . 1 1 27 27 SER H H 1 7.79 0.04 . 1 . . . . . . . . 5297 1 315 . 1 1 27 27 SER CA C 13 60.80 0.1 . 1 . . . . . . . . 5297 1 316 . 1 1 27 27 SER HA H 1 3.99 0.04 . 1 . . . . . . . . 5297 1 317 . 1 1 27 27 SER CB C 13 62.45 0.1 . 1 . . . . . . . . 5297 1 318 . 1 1 27 27 SER HB2 H 1 3.96 0.04 . 2 . . . . . . . . 5297 1 319 . 1 1 27 27 SER C C 13 176.35 0.1 . 1 . . . . . . . . 5297 1 320 . 1 1 28 28 GLN N N 15 118.48 0.05 . 1 . . . . . . . . 5297 1 321 . 1 1 28 28 GLN H H 1 7.83 0.04 . 1 . . . . . . . . 5297 1 322 . 1 1 28 28 GLN CA C 13 59.99 0.1 . 1 . . . . . . . . 5297 1 323 . 1 1 28 28 GLN HA H 1 4.02 0.04 . 1 . . . . . . . . 5297 1 324 . 1 1 28 28 GLN CB C 13 29.82 0.1 . 1 . . . . . . . . 5297 1 325 . 1 1 28 28 GLN HB3 H 1 2.17 0.04 . 1 . . . . . . . . 5297 1 326 . 1 1 28 28 GLN HB2 H 1 1.94 0.04 . 1 . . . . . . . . 5297 1 327 . 1 1 28 28 GLN CG C 13 35.41 0.1 . 1 . . . . . . . . 5297 1 328 . 1 1 28 28 GLN HG3 H 1 2.13 0.04 . 2 . . . . . . . . 5297 1 329 . 1 1 28 28 GLN HG2 H 1 2.68 0.04 . 2 . . . . . . . . 5297 1 330 . 1 1 28 28 GLN NE2 N 15 114.61 0.05 . 1 . . . . . . . . 5297 1 331 . 1 1 28 28 GLN HE21 H 1 7.74 0.04 . 1 . . . . . . . . 5297 1 332 . 1 1 28 28 GLN HE22 H 1 7.68 0.04 . 1 . . . . . . . . 5297 1 333 . 1 1 28 28 GLN C C 13 179.22 0.1 . 1 . . . . . . . . 5297 1 334 . 1 1 29 29 ILE N N 15 118.69 0.05 . 1 . . . . . . . . 5297 1 335 . 1 1 29 29 ILE H H 1 8.21 0.04 . 1 . . . . . . . . 5297 1 336 . 1 1 29 29 ILE CA C 13 61.71 0.1 . 1 . . . . . . . . 5297 1 337 . 1 1 29 29 ILE HA H 1 3.88 0.04 . 1 . . . . . . . . 5297 1 338 . 1 1 29 29 ILE CB C 13 35.53 0.1 . 1 . . . . . . . . 5297 1 339 . 1 1 29 29 ILE HB H 1 2.02 0.04 . 1 . . . . . . . . 5297 1 340 . 1 1 29 29 ILE CG1 C 13 27.54 0.1 . 1 . . . . . . . . 5297 1 341 . 1 1 29 29 ILE HG13 H 1 1.29 0.04 . 2 . . . . . . . . 5297 1 342 . 1 1 29 29 ILE HG12 H 1 1.80 0.04 . 2 . . . . . . . . 5297 1 343 . 1 1 29 29 ILE CD1 C 13 9.14 0.1 . 1 . . . . . . . . 5297 1 344 . 1 1 29 29 ILE HD11 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 345 . 1 1 29 29 ILE HD12 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 346 . 1 1 29 29 ILE HD13 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 347 . 1 1 29 29 ILE CG2 C 13 18.27 0.1 . 1 . . . . . . . . 5297 1 348 . 1 1 29 29 ILE HG21 H 1 0.77 0.04 . 1 . . . . . . . . 5297 1 349 . 1 1 29 29 ILE HG22 H 1 0.77 0.04 . 1 . . . . . . . . 5297 1 350 . 1 1 29 29 ILE HG23 H 1 0.77 0.04 . 1 . . . . . . . . 5297 1 351 . 1 1 29 29 ILE C C 13 178.83 0.1 . 1 . . . . . . . . 5297 1 352 . 1 1 30 30 THR N N 15 111.30 0.05 . 1 . . . . . . . . 5297 1 353 . 1 1 30 30 THR H H 1 8.50 0.04 . 1 . . . . . . . . 5297 1 354 . 1 1 30 30 THR CA C 13 65.42 0.1 . 1 . . . . . . . . 5297 1 355 . 1 1 30 30 THR HA H 1 3.48 0.04 . 1 . . . . . . . . 5297 1 356 . 1 1 30 30 THR CB C 13 68.45 0.1 . 1 . . . . . . . . 5297 1 357 . 1 1 30 30 THR HB H 1 3.98 0.04 . 1 . . . . . . . . 5297 1 358 . 1 1 30 30 THR CG2 C 13 21.02 0.1 . 1 . . . . . . . . 5297 1 359 . 1 1 30 30 THR HG21 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 360 . 1 1 30 30 THR HG22 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 361 . 1 1 30 30 THR HG23 H 1 0.44 0.04 . 1 . . . . . . . . 5297 1 362 . 1 1 30 30 THR C C 13 175.96 0.1 . 1 . . . . . . . . 5297 1 363 . 1 1 31 31 ASN N N 15 117.09 0.05 . 1 . . . . . . . . 5297 1 364 . 1 1 31 31 ASN H H 1 7.12 0.04 . 1 . . . . . . . . 5297 1 365 . 1 1 31 31 ASN CA C 13 53.60 0.1 . 1 . . . . . . . . 5297 1 366 . 1 1 31 31 ASN HA H 1 4.60 0.04 . 1 . . . . . . . . 5297 1 367 . 1 1 31 31 ASN CB C 13 39.47 0.1 . 1 . . . . . . . . 5297 1 368 . 1 1 31 31 ASN HB3 H 1 2.69 0.04 . 2 . . . . . . . . 5297 1 369 . 1 1 31 31 ASN HB2 H 1 2.83 0.04 . 2 . . . . . . . . 5297 1 370 . 1 1 31 31 ASN ND2 N 15 113.26 0.05 . 1 . . . . . . . . 5297 1 371 . 1 1 31 31 ASN HD21 H 1 7.62 0.04 . 1 . . . . . . . . 5297 1 372 . 1 1 31 31 ASN HD22 H 1 6.81 0.04 . 1 . . . . . . . . 5297 1 373 . 1 1 31 31 ASN C C 13 175.13 0.1 . 1 . . . . . . . . 5297 1 374 . 1 1 32 32 LEU N N 15 121.70 0.05 . 1 . . . . . . . . 5297 1 375 . 1 1 32 32 LEU H H 1 7.26 0.04 . 1 . . . . . . . . 5297 1 376 . 1 1 32 32 LEU CA C 13 54.76 0.1 . 1 . . . . . . . . 5297 1 377 . 1 1 32 32 LEU HA H 1 4.19 0.04 . 1 . . . . . . . . 5297 1 378 . 1 1 32 32 LEU CB C 13 41.66 0.1 . 1 . . . . . . . . 5297 1 379 . 1 1 32 32 LEU HB3 H 1 1.77 0.04 . 1 . . . . . . . . 5297 1 380 . 1 1 32 32 LEU HB2 H 1 1.38 0.04 . 1 . . . . . . . . 5297 1 381 . 1 1 32 32 LEU CG C 13 25.79 0.1 . 1 . . . . . . . . 5297 1 382 . 1 1 32 32 LEU HG H 1 1.90 0.04 . 1 . . . . . . . . 5297 1 383 . 1 1 32 32 LEU CD1 C 13 22.75 0.1 . 1 . . . . . . . . 5297 1 384 . 1 1 32 32 LEU HD11 H 1 0.46 0.04 . 1 . . . . . . . . 5297 1 385 . 1 1 32 32 LEU HD12 H 1 0.46 0.04 . 1 . . . . . . . . 5297 1 386 . 1 1 32 32 LEU HD13 H 1 0.46 0.04 . 1 . . . . . . . . 5297 1 387 . 1 1 32 32 LEU CD2 C 13 25.88 0.1 . 1 . . . . . . . . 5297 1 388 . 1 1 32 32 LEU HD21 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 389 . 1 1 32 32 LEU HD22 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 390 . 1 1 32 32 LEU HD23 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 391 . 1 1 32 32 LEU C C 13 176.93 0.1 . 1 . . . . . . . . 5297 1 392 . 1 1 33 33 GLN N N 15 126.84 0.05 . 1 . . . . . . . . 5297 1 393 . 1 1 33 33 GLN H H 1 8.97 0.04 . 1 . . . . . . . . 5297 1 394 . 1 1 33 33 GLN CA C 13 55.74 0.1 . 1 . . . . . . . . 5297 1 395 . 1 1 33 33 GLN HA H 1 4.49 0.04 . 1 . . . . . . . . 5297 1 396 . 1 1 33 33 GLN CB C 13 27.82 0.1 . 1 . . . . . . . . 5297 1 397 . 1 1 33 33 GLN HB2 H 1 2.11 0.04 . 2 . . . . . . . . 5297 1 398 . 1 1 33 33 GLN CG C 13 33.58 0.1 . 1 . . . . . . . . 5297 1 399 . 1 1 33 33 GLN HG3 H 1 2.38 0.04 . 2 . . . . . . . . 5297 1 400 . 1 1 33 33 GLN HG2 H 1 2.46 0.04 . 2 . . . . . . . . 5297 1 401 . 1 1 33 33 GLN CD C 13 180.52 0.1 . 1 . . . . . . . . 5297 1 402 . 1 1 33 33 GLN NE2 N 15 112.94 0.05 . 1 . . . . . . . . 5297 1 403 . 1 1 33 33 GLN HE21 H 1 7.50 0.04 . 1 . . . . . . . . 5297 1 404 . 1 1 33 33 GLN HE22 H 1 6.88 0.04 . 1 . . . . . . . . 5297 1 405 . 1 1 33 33 GLN C C 13 175.55 0.1 . 1 . . . . . . . . 5297 1 406 . 1 1 34 34 THR N N 15 114.79 0.05 . 1 . . . . . . . . 5297 1 407 . 1 1 34 34 THR H H 1 8.39 0.04 . 1 . . . . . . . . 5297 1 408 . 1 1 34 34 THR CA C 13 57.46 0.1 . 1 . . . . . . . . 5297 1 409 . 1 1 34 34 THR HA H 1 4.82 0.04 . 1 . . . . . . . . 5297 1 410 . 1 1 34 34 THR CB C 13 70.05 0.1 . 1 . . . . . . . . 5297 1 411 . 1 1 34 34 THR HB H 1 3.81 0.04 . 1 . . . . . . . . 5297 1 412 . 1 1 34 34 THR CG2 C 13 22.11 0.1 . 1 . . . . . . . . 5297 1 413 . 1 1 34 34 THR HG21 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 414 . 1 1 34 34 THR HG22 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 415 . 1 1 34 34 THR HG23 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 416 . 1 1 35 35 PRO CA C 13 63.94 0.1 . 1 . . . . . . . . 5297 1 417 . 1 1 35 35 PRO HA H 1 4.58 0.04 . 1 . . . . . . . . 5297 1 418 . 1 1 35 35 PRO CB C 13 31.17 0.1 . 1 . . . . . . . . 5297 1 419 . 1 1 35 35 PRO HB3 H 1 2.22 0.04 . 2 . . . . . . . . 5297 1 420 . 1 1 35 35 PRO HB2 H 1 2.34 0.04 . 2 . . . . . . . . 5297 1 421 . 1 1 35 35 PRO CG C 13 26.99 0.1 . 1 . . . . . . . . 5297 1 422 . 1 1 35 35 PRO HG3 H 1 2.16 0.04 . 2 . . . . . . . . 5297 1 423 . 1 1 35 35 PRO HG2 H 1 2.30 0.04 . 2 . . . . . . . . 5297 1 424 . 1 1 35 35 PRO CD C 13 50.78 0.1 . 1 . . . . . . . . 5297 1 425 . 1 1 35 35 PRO HD3 H 1 3.59 0.04 . 2 . . . . . . . . 5297 1 426 . 1 1 35 35 PRO HD2 H 1 3.91 0.04 . 2 . . . . . . . . 5297 1 427 . 1 1 35 35 PRO C C 13 175.52 0.1 . 1 . . . . . . . . 5297 1 428 . 1 1 36 36 THR N N 15 111.22 0.05 . 1 . . . . . . . . 5297 1 429 . 1 1 36 36 THR H H 1 6.75 0.04 . 1 . . . . . . . . 5297 1 430 . 1 1 36 36 THR CA C 13 58.54 0.1 . 1 . . . . . . . . 5297 1 431 . 1 1 36 36 THR HA H 1 4.63 0.04 . 1 . . . . . . . . 5297 1 432 . 1 1 36 36 THR CB C 13 69.66 0.1 . 1 . . . . . . . . 5297 1 433 . 1 1 36 36 THR HB H 1 4.01 0.04 . 1 . . . . . . . . 5297 1 434 . 1 1 36 36 THR CG2 C 13 20.07 0.1 . 1 . . . . . . . . 5297 1 435 . 1 1 36 36 THR HG21 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 436 . 1 1 36 36 THR HG22 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 437 . 1 1 36 36 THR HG23 H 1 1.07 0.04 . 1 . . . . . . . . 5297 1 438 . 1 1 36 36 THR C C 13 173.27 0.1 . 1 . . . . . . . . 5297 1 439 . 1 1 37 37 ASN N N 15 125.59 0.05 . 1 . . . . . . . . 5297 1 440 . 1 1 37 37 ASN H H 1 8.95 0.04 . 1 . . . . . . . . 5297 1 441 . 1 1 37 37 ASN CA C 13 53.79 0.1 . 1 . . . . . . . . 5297 1 442 . 1 1 37 37 ASN HA H 1 4.82 0.04 . 1 . . . . . . . . 5297 1 443 . 1 1 37 37 ASN CB C 13 38.55 0.1 . 1 . . . . . . . . 5297 1 444 . 1 1 37 37 ASN HB3 H 1 2.89 0.04 . 1 . . . . . . . . 5297 1 445 . 1 1 37 37 ASN HB2 H 1 2.78 0.04 . 1 . . . . . . . . 5297 1 446 . 1 1 37 37 ASN ND2 N 15 114.29 0.05 . 1 . . . . . . . . 5297 1 447 . 1 1 37 37 ASN HD21 H 1 7.94 0.04 . 1 . . . . . . . . 5297 1 448 . 1 1 37 37 ASN HD22 H 1 7.09 0.04 . 1 . . . . . . . . 5297 1 449 . 1 1 37 37 ASN C C 13 175.11 0.1 . 1 . . . . . . . . 5297 1 450 . 1 1 38 38 LYS N N 15 121.07 0.05 . 1 . . . . . . . . 5297 1 451 . 1 1 38 38 LYS H H 1 8.82 0.04 . 1 . . . . . . . . 5297 1 452 . 1 1 38 38 LYS CA C 13 56.26 0.1 . 1 . . . . . . . . 5297 1 453 . 1 1 38 38 LYS HA H 1 4.39 0.04 . 1 . . . . . . . . 5297 1 454 . 1 1 38 38 LYS CB C 13 32.73 0.1 . 1 . . . . . . . . 5297 1 455 . 1 1 38 38 LYS HB3 H 1 1.40 0.04 . 1 . . . . . . . . 5297 1 456 . 1 1 38 38 LYS HB2 H 1 1.93 0.04 . 1 . . . . . . . . 5297 1 457 . 1 1 38 38 LYS CG C 13 24.64 0.1 . 1 . . . . . . . . 5297 1 458 . 1 1 38 38 LYS HG3 H 1 1.20 0.04 . 2 . . . . . . . . 5297 1 459 . 1 1 38 38 LYS HG2 H 1 1.78 0.04 . 2 . . . . . . . . 5297 1 460 . 1 1 38 38 LYS CD C 13 29.80 0.1 . 1 . . . . . . . . 5297 1 461 . 1 1 38 38 LYS HD3 H 1 1.46 0.04 . 2 . . . . . . . . 5297 1 462 . 1 1 38 38 LYS HD2 H 1 1.53 0.04 . 2 . . . . . . . . 5297 1 463 . 1 1 38 38 LYS CE C 13 41.05 0.1 . 1 . . . . . . . . 5297 1 464 . 1 1 38 38 LYS HE3 H 1 2.87 0.04 . 2 . . . . . . . . 5297 1 465 . 1 1 38 38 LYS HE2 H 1 3.66 0.04 . 2 . . . . . . . . 5297 1 466 . 1 1 38 38 LYS C C 13 175.26 0.1 . 1 . . . . . . . . 5297 1 467 . 1 1 39 39 LEU N N 15 121.62 0.05 . 1 . . . . . . . . 5297 1 468 . 1 1 39 39 LEU H H 1 9.31 0.04 . 1 . . . . . . . . 5297 1 469 . 1 1 39 39 LEU CA C 13 55.43 0.1 . 1 . . . . . . . . 5297 1 470 . 1 1 39 39 LEU HA H 1 4.71 0.04 . 1 . . . . . . . . 5297 1 471 . 1 1 39 39 LEU CB C 13 43.54 0.1 . 1 . . . . . . . . 5297 1 472 . 1 1 39 39 LEU HB3 H 1 1.65 0.04 . 2 . . . . . . . . 5297 1 473 . 1 1 39 39 LEU HB2 H 1 1.70 0.04 . 2 . . . . . . . . 5297 1 474 . 1 1 39 39 LEU CG C 13 27.11 0.1 . 1 . . . . . . . . 5297 1 475 . 1 1 39 39 LEU HG H 1 1.56 0.04 . 1 . . . . . . . . 5297 1 476 . 1 1 39 39 LEU CD1 C 13 22.12 0.1 . 1 . . . . . . . . 5297 1 477 . 1 1 39 39 LEU HD11 H 1 0.91 0.04 . 1 . . . . . . . . 5297 1 478 . 1 1 39 39 LEU HD12 H 1 0.91 0.04 . 1 . . . . . . . . 5297 1 479 . 1 1 39 39 LEU HD13 H 1 0.91 0.04 . 1 . . . . . . . . 5297 1 480 . 1 1 39 39 LEU CD2 C 13 26.13 0.1 . 1 . . . . . . . . 5297 1 481 . 1 1 39 39 LEU HD21 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 482 . 1 1 39 39 LEU HD22 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 483 . 1 1 39 39 LEU HD23 H 1 0.85 0.04 . 1 . . . . . . . . 5297 1 484 . 1 1 39 39 LEU C C 13 177.07 0.1 . 1 . . . . . . . . 5297 1 485 . 1 1 40 40 PHE N N 15 117.97 0.05 . 1 . . . . . . . . 5297 1 486 . 1 1 40 40 PHE H H 1 7.74 0.04 . 1 . . . . . . . . 5297 1 487 . 1 1 40 40 PHE CA C 13 56.65 0.1 . 1 . . . . . . . . 5297 1 488 . 1 1 40 40 PHE HA H 1 5.67 0.04 . 1 . . . . . . . . 5297 1 489 . 1 1 40 40 PHE CB C 13 43.01 0.1 . 1 . . . . . . . . 5297 1 490 . 1 1 40 40 PHE HB3 H 1 2.93 0.04 . 1 . . . . . . . . 5297 1 491 . 1 1 40 40 PHE HB2 H 1 3.44 0.04 . 1 . . . . . . . . 5297 1 492 . 1 1 40 40 PHE CD1 C 13 132.67 0.1 . 3 . . . . . . . . 5297 1 493 . 1 1 40 40 PHE HD1 H 1 7.12 0.04 . 3 . . . . . . . . 5297 1 494 . 1 1 40 40 PHE CE1 C 13 131.04 0.1 . 3 . . . . . . . . 5297 1 495 . 1 1 40 40 PHE HE1 H 1 7.18 0.04 . 3 . . . . . . . . 5297 1 496 . 1 1 40 40 PHE CZ C 13 129.72 0.1 . 1 . . . . . . . . 5297 1 497 . 1 1 40 40 PHE HZ H 1 7.30 0.04 . 1 . . . . . . . . 5297 1 498 . 1 1 40 40 PHE C C 13 173.36 0.1 . 1 . . . . . . . . 5297 1 499 . 1 1 41 41 ILE N N 15 126.75 0.05 . 1 . . . . . . . . 5297 1 500 . 1 1 41 41 ILE H H 1 8.79 0.04 . 1 . . . . . . . . 5297 1 501 . 1 1 41 41 ILE CA C 13 59.17 0.1 . 1 . . . . . . . . 5297 1 502 . 1 1 41 41 ILE HA H 1 5.09 0.04 . 1 . . . . . . . . 5297 1 503 . 1 1 41 41 ILE CB C 13 43.48 0.1 . 1 . . . . . . . . 5297 1 504 . 1 1 41 41 ILE HB H 1 1.45 0.04 . 1 . . . . . . . . 5297 1 505 . 1 1 41 41 ILE CG1 C 13 27.91 0.1 . 1 . . . . . . . . 5297 1 506 . 1 1 41 41 ILE HG13 H 1 0.78 0.04 . 2 . . . . . . . . 5297 1 507 . 1 1 41 41 ILE HG12 H 1 1.60 0.04 . 2 . . . . . . . . 5297 1 508 . 1 1 41 41 ILE CD1 C 13 15.37 0.1 . 1 . . . . . . . . 5297 1 509 . 1 1 41 41 ILE HD11 H 1 0.20 0.04 . 1 . . . . . . . . 5297 1 510 . 1 1 41 41 ILE HD12 H 1 0.20 0.04 . 1 . . . . . . . . 5297 1 511 . 1 1 41 41 ILE HD13 H 1 0.20 0.04 . 1 . . . . . . . . 5297 1 512 . 1 1 41 41 ILE CG2 C 13 17.55 0.1 . 1 . . . . . . . . 5297 1 513 . 1 1 41 41 ILE HG21 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 514 . 1 1 41 41 ILE HG22 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 515 . 1 1 41 41 ILE HG23 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 516 . 1 1 41 41 ILE C C 13 173.54 0.1 . 1 . . . . . . . . 5297 1 517 . 1 1 42 42 LYS N N 15 123.21 0.05 . 1 . . . . . . . . 5297 1 518 . 1 1 42 42 LYS H H 1 8.69 0.04 . 1 . . . . . . . . 5297 1 519 . 1 1 42 42 LYS CA C 13 54.89 0.1 . 1 . . . . . . . . 5297 1 520 . 1 1 42 42 LYS HA H 1 5.20 0.04 . 1 . . . . . . . . 5297 1 521 . 1 1 42 42 LYS CB C 13 36.33 0.1 . 1 . . . . . . . . 5297 1 522 . 1 1 42 42 LYS HB3 H 1 1.80 0.04 . 1 . . . . . . . . 5297 1 523 . 1 1 42 42 LYS HB2 H 1 1.93 0.04 . 1 . . . . . . . . 5297 1 524 . 1 1 42 42 LYS CD C 13 30.24 0.1 . 1 . . . . . . . . 5297 1 525 . 1 1 42 42 LYS HD2 H 1 1.54 0.04 . 2 . . . . . . . . 5297 1 526 . 1 1 42 42 LYS CE C 13 41.78 0.1 . 1 . . . . . . . . 5297 1 527 . 1 1 42 42 LYS HE3 H 1 2.61 0.04 . 2 . . . . . . . . 5297 1 528 . 1 1 42 42 LYS HE2 H 1 2.69 0.04 . 2 . . . . . . . . 5297 1 529 . 1 1 42 42 LYS C C 13 174.97 0.1 . 1 . . . . . . . . 5297 1 530 . 1 1 43 43 ILE N N 15 131.22 0.05 . 1 . . . . . . . . 5297 1 531 . 1 1 43 43 ILE H H 1 9.57 0.04 . 1 . . . . . . . . 5297 1 532 . 1 1 43 43 ILE CA C 13 59.78 0.1 . 1 . . . . . . . . 5297 1 533 . 1 1 43 43 ILE HA H 1 5.14 0.04 . 1 . . . . . . . . 5297 1 534 . 1 1 43 43 ILE CB C 13 40.52 0.1 . 1 . . . . . . . . 5297 1 535 . 1 1 43 43 ILE HB H 1 1.80 0.04 . 1 . . . . . . . . 5297 1 536 . 1 1 43 43 ILE CG1 C 13 28.45 0.1 . 1 . . . . . . . . 5297 1 537 . 1 1 43 43 ILE HG13 H 1 1.07 0.04 . 2 . . . . . . . . 5297 1 538 . 1 1 43 43 ILE HG12 H 1 1.59 0.04 . 2 . . . . . . . . 5297 1 539 . 1 1 43 43 ILE CD1 C 13 14.61 0.1 . 1 . . . . . . . . 5297 1 540 . 1 1 43 43 ILE HD11 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 541 . 1 1 43 43 ILE HD12 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 542 . 1 1 43 43 ILE HD13 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 543 . 1 1 43 43 ILE CG2 C 13 18.12 0.1 . 1 . . . . . . . . 5297 1 544 . 1 1 43 43 ILE HG21 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 545 . 1 1 43 43 ILE HG22 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 546 . 1 1 43 43 ILE HG23 H 1 0.88 0.04 . 1 . . . . . . . . 5297 1 547 . 1 1 43 43 ILE C C 13 174.22 0.1 . 1 . . . . . . . . 5297 1 548 . 1 1 44 44 CYS N N 15 125.78 0.05 . 1 . . . . . . . . 5297 1 549 . 1 1 44 44 CYS H H 1 9.50 0.04 . 1 . . . . . . . . 5297 1 550 . 1 1 44 44 CYS CA C 13 56.72 0.1 . 1 . . . . . . . . 5297 1 551 . 1 1 44 44 CYS HA H 1 5.27 0.04 . 1 . . . . . . . . 5297 1 552 . 1 1 44 44 CYS CB C 13 30.03 0.1 . 1 . . . . . . . . 5297 1 553 . 1 1 44 44 CYS HB3 H 1 2.80 0.04 . 2 . . . . . . . . 5297 1 554 . 1 1 44 44 CYS HB2 H 1 3.05 0.04 . 2 . . . . . . . . 5297 1 555 . 1 1 44 44 CYS C C 13 173.07 0.1 . 1 . . . . . . . . 5297 1 556 . 1 1 45 45 ARG N N 15 128.39 0.05 . 1 . . . . . . . . 5297 1 557 . 1 1 45 45 ARG H H 1 8.85 0.04 . 1 . . . . . . . . 5297 1 558 . 1 1 45 45 ARG CA C 13 54.88 0.1 . 1 . . . . . . . . 5297 1 559 . 1 1 45 45 ARG HA H 1 5.18 0.04 . 1 . . . . . . . . 5297 1 560 . 1 1 45 45 ARG CB C 13 32.12 0.1 . 1 . . . . . . . . 5297 1 561 . 1 1 45 45 ARG HB3 H 1 2.05 0.04 . 1 . . . . . . . . 5297 1 562 . 1 1 45 45 ARG HB2 H 1 1.28 0.04 . 1 . . . . . . . . 5297 1 563 . 1 1 45 45 ARG CG C 13 27.80 0.1 . 1 . . . . . . . . 5297 1 564 . 1 1 45 45 ARG HG3 H 1 1.43 0.04 . 2 . . . . . . . . 5297 1 565 . 1 1 45 45 ARG HG2 H 1 1.53 0.04 . 2 . . . . . . . . 5297 1 566 . 1 1 45 45 ARG CD C 13 43.68 0.1 . 1 . . . . . . . . 5297 1 567 . 1 1 45 45 ARG HD3 H 1 3.05 0.04 . 2 . . . . . . . . 5297 1 568 . 1 1 45 45 ARG HD2 H 1 3.19 0.04 . 2 . . . . . . . . 5297 1 569 . 1 1 45 45 ARG C C 13 174.77 0.1 . 1 . . . . . . . . 5297 1 570 . 1 1 46 46 GLU N N 15 126.92 0.05 . 1 . . . . . . . . 5297 1 571 . 1 1 46 46 GLU H H 1 8.93 0.04 . 1 . . . . . . . . 5297 1 572 . 1 1 46 46 GLU CA C 13 54.49 0.1 . 1 . . . . . . . . 5297 1 573 . 1 1 46 46 GLU HA H 1 4.76 0.04 . 1 . . . . . . . . 5297 1 574 . 1 1 46 46 GLU CB C 13 33.72 0.1 . 1 . . . . . . . . 5297 1 575 . 1 1 46 46 GLU HB3 H 1 1.85 0.04 . 1 . . . . . . . . 5297 1 576 . 1 1 46 46 GLU HB2 H 1 2.08 0.04 . 1 . . . . . . . . 5297 1 577 . 1 1 46 46 GLU CG C 13 36.23 0.1 . 1 . . . . . . . . 5297 1 578 . 1 1 46 46 GLU HG3 H 1 2.17 0.04 . 2 . . . . . . . . 5297 1 579 . 1 1 46 46 GLU HG2 H 1 2.26 0.04 . 2 . . . . . . . . 5297 1 580 . 1 1 46 46 GLU C C 13 174.10 0.1 . 1 . . . . . . . . 5297 1 581 . 1 1 47 47 LEU N N 15 123.56 0.05 . 1 . . . . . . . . 5297 1 582 . 1 1 47 47 LEU H H 1 8.71 0.04 . 1 . . . . . . . . 5297 1 583 . 1 1 47 47 LEU CA C 13 53.93 0.1 . 1 . . . . . . . . 5297 1 584 . 1 1 47 47 LEU HA H 1 4.79 0.04 . 1 . . . . . . . . 5297 1 585 . 1 1 47 47 LEU CB C 13 42.64 0.1 . 1 . . . . . . . . 5297 1 586 . 1 1 47 47 LEU HB3 H 1 1.43 0.04 . 1 . . . . . . . . 5297 1 587 . 1 1 47 47 LEU HB2 H 1 1.65 0.04 . 1 . . . . . . . . 5297 1 588 . 1 1 47 47 LEU CG C 13 26.93 0.1 . 1 . . . . . . . . 5297 1 589 . 1 1 47 47 LEU HG H 1 1.63 0.04 . 1 . . . . . . . . 5297 1 590 . 1 1 47 47 LEU CD1 C 13 23.30 0.1 . 1 . . . . . . . . 5297 1 591 . 1 1 47 47 LEU HD11 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 592 . 1 1 47 47 LEU HD12 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 593 . 1 1 47 47 LEU HD13 H 1 0.79 0.04 . 1 . . . . . . . . 5297 1 594 . 1 1 47 47 LEU CD2 C 13 24.49 0.1 . 1 . . . . . . . . 5297 1 595 . 1 1 47 47 LEU HD21 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 596 . 1 1 47 47 LEU HD22 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 597 . 1 1 47 47 LEU HD23 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 598 . 1 1 47 47 LEU C C 13 177.48 0.1 . 1 . . . . . . . . 5297 1 599 . 1 1 48 48 HIS N N 15 123.82 0.05 . 1 . . . . . . . . 5297 1 600 . 1 1 48 48 HIS H H 1 8.70 0.04 . 1 . . . . . . . . 5297 1 601 . 1 1 48 48 HIS CA C 13 55.12 0.1 . 1 . . . . . . . . 5297 1 602 . 1 1 48 48 HIS HA H 1 4.72 0.04 . 1 . . . . . . . . 5297 1 603 . 1 1 48 48 HIS CB C 13 31.13 0.1 . 1 . . . . . . . . 5297 1 604 . 1 1 48 48 HIS HB3 H 1 3.36 0.04 . 1 . . . . . . . . 5297 1 605 . 1 1 48 48 HIS HB2 H 1 3.09 0.04 . 1 . . . . . . . . 5297 1 606 . 1 1 48 48 HIS CD2 C 13 118.37 0.1 . 1 . . . . . . . . 5297 1 607 . 1 1 48 48 HIS HD2 H 1 6.80 0.04 . 1 . . . . . . . . 5297 1 608 . 1 1 48 48 HIS NE2 N 15 179.31 0.05 . 1 . . . . . . . . 5297 1 609 . 1 1 48 48 HIS CE1 C 13 137.03 0.1 . 1 . . . . . . . . 5297 1 610 . 1 1 48 48 HIS HE1 H 1 7.76 0.04 . 1 . . . . . . . . 5297 1 611 . 1 1 48 48 HIS ND1 N 15 209.69 0.05 . 1 . . . . . . . . 5297 1 612 . 1 1 49 49 GLU CA C 13 58.99 0.1 . 1 . . . . . . . . 5297 1 613 . 1 1 49 49 GLU HA H 1 4.08 0.04 . 1 . . . . . . . . 5297 1 614 . 1 1 49 49 GLU CB C 13 29.06 0.1 . 1 . . . . . . . . 5297 1 615 . 1 1 49 49 GLU HB2 H 1 2.05 0.04 . 2 . . . . . . . . 5297 1 616 . 1 1 49 49 GLU CG C 13 36.09 0.1 . 1 . . . . . . . . 5297 1 617 . 1 1 49 49 GLU HG2 H 1 2.33 0.04 . 2 . . . . . . . . 5297 1 618 . 1 1 49 49 GLU C C 13 176.97 0.1 . 1 . . . . . . . . 5297 1 619 . 1 1 50 50 ASN N N 15 117.14 0.05 . 1 . . . . . . . . 5297 1 620 . 1 1 50 50 ASN H H 1 9.00 0.04 . 1 . . . . . . . . 5297 1 621 . 1 1 50 50 ASN CA C 13 53.06 0.1 . 1 . . . . . . . . 5297 1 622 . 1 1 50 50 ASN HA H 1 4.59 0.04 . 1 . . . . . . . . 5297 1 623 . 1 1 50 50 ASN CB C 13 37.41 0.1 . 1 . . . . . . . . 5297 1 624 . 1 1 50 50 ASN HB3 H 1 2.98 0.04 . 2 . . . . . . . . 5297 1 625 . 1 1 50 50 ASN HB2 H 1 3.18 0.04 . 2 . . . . . . . . 5297 1 626 . 1 1 50 50 ASN CG C 13 177.40 0.1 . 1 . . . . . . . . 5297 1 627 . 1 1 50 50 ASN ND2 N 15 110.70 0.05 . 1 . . . . . . . . 5297 1 628 . 1 1 50 50 ASN HD21 H 1 7.53 0.04 . 1 . . . . . . . . 5297 1 629 . 1 1 50 50 ASN HD22 H 1 6.80 0.04 . 1 . . . . . . . . 5297 1 630 . 1 1 50 50 ASN C C 13 176.08 0.1 . 1 . . . . . . . . 5297 1 631 . 1 1 51 51 GLY N N 15 107.59 0.05 . 1 . . . . . . . . 5297 1 632 . 1 1 51 51 GLY H H 1 8.34 0.04 . 1 . . . . . . . . 5297 1 633 . 1 1 51 51 GLY CA C 13 45.18 0.1 . 1 . . . . . . . . 5297 1 634 . 1 1 51 51 GLY HA3 H 1 3.70 0.04 . 1 . . . . . . . . 5297 1 635 . 1 1 51 51 GLY HA2 H 1 4.22 0.04 . 1 . . . . . . . . 5297 1 636 . 1 1 51 51 GLY C C 13 173.76 0.1 . 1 . . . . . . . . 5297 1 637 . 1 1 52 52 GLU N N 15 120.73 0.05 . 1 . . . . . . . . 5297 1 638 . 1 1 52 52 GLU H H 1 7.82 0.04 . 1 . . . . . . . . 5297 1 639 . 1 1 52 52 GLU CA C 13 53.90 0.1 . 1 . . . . . . . . 5297 1 640 . 1 1 52 52 GLU HA H 1 4.65 0.04 . 1 . . . . . . . . 5297 1 641 . 1 1 52 52 GLU CB C 13 30.58 0.1 . 1 . . . . . . . . 5297 1 642 . 1 1 52 52 GLU HB3 H 1 1.92 0.04 . 2 . . . . . . . . 5297 1 643 . 1 1 52 52 GLU HB2 H 1 2.18 0.04 . 2 . . . . . . . . 5297 1 644 . 1 1 52 52 GLU CG C 13 36.42 0.1 . 1 . . . . . . . . 5297 1 645 . 1 1 52 52 GLU HG2 H 1 2.25 0.04 . 2 . . . . . . . . 5297 1 646 . 1 1 53 53 PRO CA C 13 62.34 0.1 . 1 . . . . . . . . 5297 1 647 . 1 1 53 53 PRO HA H 1 5.12 0.04 . 1 . . . . . . . . 5297 1 648 . 1 1 53 53 PRO CB C 13 31.69 0.1 . 1 . . . . . . . . 5297 1 649 . 1 1 53 53 PRO HB3 H 1 1.88 0.04 . 2 . . . . . . . . 5297 1 650 . 1 1 53 53 PRO HB2 H 1 1.92 0.04 . 2 . . . . . . . . 5297 1 651 . 1 1 53 53 PRO CG C 13 27.01 0.1 . 1 . . . . . . . . 5297 1 652 . 1 1 53 53 PRO HG3 H 1 1.84 0.04 . 2 . . . . . . . . 5297 1 653 . 1 1 53 53 PRO HG2 H 1 2.02 0.04 . 2 . . . . . . . . 5297 1 654 . 1 1 53 53 PRO C C 13 176.25 0.1 . 1 . . . . . . . . 5297 1 655 . 1 1 54 54 HIS N N 15 119.93 0.05 . 1 . . . . . . . . 5297 1 656 . 1 1 54 54 HIS H H 1 9.08 0.04 . 1 . . . . . . . . 5297 1 657 . 1 1 54 54 HIS CA C 13 54.98 0.1 . 1 . . . . . . . . 5297 1 658 . 1 1 54 54 HIS HA H 1 5.06 0.04 . 1 . . . . . . . . 5297 1 659 . 1 1 54 54 HIS CB C 13 34.19 0.1 . 1 . . . . . . . . 5297 1 660 . 1 1 54 54 HIS HB3 H 1 3.01 0.04 . 1 . . . . . . . . 5297 1 661 . 1 1 54 54 HIS HB2 H 1 2.67 0.04 . 1 . . . . . . . . 5297 1 662 . 1 1 54 54 HIS CD2 C 13 118.95 0.1 . 1 . . . . . . . . 5297 1 663 . 1 1 54 54 HIS HD2 H 1 6.66 0.04 . 1 . . . . . . . . 5297 1 664 . 1 1 54 54 HIS NE2 N 15 187.35 0.05 . 1 . . . . . . . . 5297 1 665 . 1 1 54 54 HIS CE1 C 13 137.64 0.1 . 1 . . . . . . . . 5297 1 666 . 1 1 54 54 HIS HE1 H 1 7.62 0.04 . 1 . . . . . . . . 5297 1 667 . 1 1 54 54 HIS ND1 N 15 226.84 0.05 . 1 . . . . . . . . 5297 1 668 . 1 1 54 54 HIS C C 13 173.83 0.1 . 1 . . . . . . . . 5297 1 669 . 1 1 55 55 LEU N N 15 120.79 0.05 . 1 . . . . . . . . 5297 1 670 . 1 1 55 55 LEU H H 1 8.07 0.04 . 1 . . . . . . . . 5297 1 671 . 1 1 55 55 LEU CA C 13 53.17 0.1 . 1 . . . . . . . . 5297 1 672 . 1 1 55 55 LEU HA H 1 5.19 0.04 . 1 . . . . . . . . 5297 1 673 . 1 1 55 55 LEU CB C 13 45.80 0.1 . 1 . . . . . . . . 5297 1 674 . 1 1 55 55 LEU HB3 H 1 1.40 0.04 . 2 . . . . . . . . 5297 1 675 . 1 1 55 55 LEU HB2 H 1 1.44 0.04 . 2 . . . . . . . . 5297 1 676 . 1 1 55 55 LEU CG C 13 27.06 0.1 . 1 . . . . . . . . 5297 1 677 . 1 1 55 55 LEU HG H 1 1.37 0.04 . 1 . . . . . . . . 5297 1 678 . 1 1 55 55 LEU CD1 C 13 25.16 0.1 . 1 . . . . . . . . 5297 1 679 . 1 1 55 55 LEU HD11 H 1 0.52 0.04 . 1 . . . . . . . . 5297 1 680 . 1 1 55 55 LEU HD12 H 1 0.52 0.04 . 1 . . . . . . . . 5297 1 681 . 1 1 55 55 LEU HD13 H 1 0.52 0.04 . 1 . . . . . . . . 5297 1 682 . 1 1 55 55 LEU CD2 C 13 25.17 0.1 . 1 . . . . . . . . 5297 1 683 . 1 1 55 55 LEU HD21 H 1 0.56 0.04 . 1 . . . . . . . . 5297 1 684 . 1 1 55 55 LEU HD22 H 1 0.56 0.04 . 1 . . . . . . . . 5297 1 685 . 1 1 55 55 LEU HD23 H 1 0.56 0.04 . 1 . . . . . . . . 5297 1 686 . 1 1 55 55 LEU C C 13 174.94 0.1 . 1 . . . . . . . . 5297 1 687 . 1 1 56 56 HIS N N 15 124.76 0.05 . 1 . . . . . . . . 5297 1 688 . 1 1 56 56 HIS H H 1 9.27 0.04 . 1 . . . . . . . . 5297 1 689 . 1 1 56 56 HIS CA C 13 54.37 0.1 . 1 . . . . . . . . 5297 1 690 . 1 1 56 56 HIS HA H 1 5.71 0.04 . 1 . . . . . . . . 5297 1 691 . 1 1 56 56 HIS CB C 13 33.03 0.1 . 1 . . . . . . . . 5297 1 692 . 1 1 56 56 HIS HB3 H 1 3.18 0.04 . 2 . . . . . . . . 5297 1 693 . 1 1 56 56 HIS HB2 H 1 3.23 0.04 . 2 . . . . . . . . 5297 1 694 . 1 1 56 56 HIS CD2 C 13 119.80 0.1 . 1 . . . . . . . . 5297 1 695 . 1 1 56 56 HIS HD2 H 1 6.88 0.04 . 1 . . . . . . . . 5297 1 696 . 1 1 56 56 HIS NE2 N 15 185.68 0.05 . 1 . . . . . . . . 5297 1 697 . 1 1 56 56 HIS CE1 C 13 138.83 0.1 . 1 . . . . . . . . 5297 1 698 . 1 1 56 56 HIS HE1 H 1 7.88 0.04 . 1 . . . . . . . . 5297 1 699 . 1 1 56 56 HIS ND1 N 15 221.36 0.05 . 1 . . . . . . . . 5297 1 700 . 1 1 56 56 HIS C C 13 175.00 0.1 . 1 . . . . . . . . 5297 1 701 . 1 1 57 57 ILE N N 15 121.50 0.05 . 1 . . . . . . . . 5297 1 702 . 1 1 57 57 ILE H H 1 9.59 0.04 . 1 . . . . . . . . 5297 1 703 . 1 1 57 57 ILE CA C 13 61.24 0.1 . 1 . . . . . . . . 5297 1 704 . 1 1 57 57 ILE HA H 1 5.09 0.04 . 1 . . . . . . . . 5297 1 705 . 1 1 57 57 ILE CB C 13 41.90 0.1 . 1 . . . . . . . . 5297 1 706 . 1 1 57 57 ILE HB H 1 1.99 0.04 . 1 . . . . . . . . 5297 1 707 . 1 1 57 57 ILE CG1 C 13 26.54 0.1 . 1 . . . . . . . . 5297 1 708 . 1 1 57 57 ILE HG12 H 1 1.69 0.04 . 2 . . . . . . . . 5297 1 709 . 1 1 57 57 ILE CD1 C 13 13.74 0.1 . 1 . . . . . . . . 5297 1 710 . 1 1 57 57 ILE HD11 H 1 0.71 0.04 . 1 . . . . . . . . 5297 1 711 . 1 1 57 57 ILE HD12 H 1 0.71 0.04 . 1 . . . . . . . . 5297 1 712 . 1 1 57 57 ILE HD13 H 1 0.71 0.04 . 1 . . . . . . . . 5297 1 713 . 1 1 57 57 ILE CG2 C 13 16.74 0.1 . 1 . . . . . . . . 5297 1 714 . 1 1 57 57 ILE HG21 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 715 . 1 1 57 57 ILE HG22 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 716 . 1 1 57 57 ILE HG23 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 717 . 1 1 57 57 ILE C C 13 173.85 0.1 . 1 . . . . . . . . 5297 1 718 . 1 1 58 58 LEU N N 15 128.53 0.05 . 1 . . . . . . . . 5297 1 719 . 1 1 58 58 LEU H H 1 8.68 0.04 . 1 . . . . . . . . 5297 1 720 . 1 1 58 58 LEU CA C 13 52.91 0.1 . 1 . . . . . . . . 5297 1 721 . 1 1 58 58 LEU HA H 1 5.54 0.04 . 1 . . . . . . . . 5297 1 722 . 1 1 58 58 LEU CB C 13 46.20 0.1 . 1 . . . . . . . . 5297 1 723 . 1 1 58 58 LEU HB3 H 1 1.38 0.04 . 1 . . . . . . . . 5297 1 724 . 1 1 58 58 LEU HB2 H 1 1.86 0.04 . 1 . . . . . . . . 5297 1 725 . 1 1 58 58 LEU CG C 13 28.52 0.1 . 1 . . . . . . . . 5297 1 726 . 1 1 58 58 LEU HG H 1 1.56 0.04 . 1 . . . . . . . . 5297 1 727 . 1 1 58 58 LEU CD1 C 13 27.48 0.1 . 1 . . . . . . . . 5297 1 728 . 1 1 58 58 LEU HD11 H 1 1.12 0.04 . 1 . . . . . . . . 5297 1 729 . 1 1 58 58 LEU HD12 H 1 1.12 0.04 . 1 . . . . . . . . 5297 1 730 . 1 1 58 58 LEU HD13 H 1 1.12 0.04 . 1 . . . . . . . . 5297 1 731 . 1 1 58 58 LEU CD2 C 13 22.86 0.1 . 1 . . . . . . . . 5297 1 732 . 1 1 58 58 LEU HD21 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 733 . 1 1 58 58 LEU HD22 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 734 . 1 1 58 58 LEU HD23 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 735 . 1 1 58 58 LEU C C 13 175.46 0.1 . 1 . . . . . . . . 5297 1 736 . 1 1 59 59 ILE N N 15 123.91 0.05 . 1 . . . . . . . . 5297 1 737 . 1 1 59 59 ILE H H 1 9.09 0.04 . 1 . . . . . . . . 5297 1 738 . 1 1 59 59 ILE CA C 13 60.21 0.1 . 1 . . . . . . . . 5297 1 739 . 1 1 59 59 ILE HA H 1 4.83 0.04 . 1 . . . . . . . . 5297 1 740 . 1 1 59 59 ILE CB C 13 42.08 0.1 . 1 . . . . . . . . 5297 1 741 . 1 1 59 59 ILE HB H 1 1.44 0.04 . 1 . . . . . . . . 5297 1 742 . 1 1 59 59 ILE CG1 C 13 27.42 0.1 . 1 . . . . . . . . 5297 1 743 . 1 1 59 59 ILE HG13 H 1 0.62 0.04 . 2 . . . . . . . . 5297 1 744 . 1 1 59 59 ILE HG12 H 1 1.55 0.04 . 2 . . . . . . . . 5297 1 745 . 1 1 59 59 ILE CD1 C 13 16.22 0.1 . 1 . . . . . . . . 5297 1 746 . 1 1 59 59 ILE HD11 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 747 . 1 1 59 59 ILE HD12 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 748 . 1 1 59 59 ILE HD13 H 1 0.74 0.04 . 1 . . . . . . . . 5297 1 749 . 1 1 59 59 ILE CG2 C 13 16.37 0.1 . 1 . . . . . . . . 5297 1 750 . 1 1 59 59 ILE HG21 H 1 0.08 0.04 . 1 . . . . . . . . 5297 1 751 . 1 1 59 59 ILE HG22 H 1 0.08 0.04 . 1 . . . . . . . . 5297 1 752 . 1 1 59 59 ILE HG23 H 1 0.08 0.04 . 1 . . . . . . . . 5297 1 753 . 1 1 59 59 ILE C C 13 174.62 0.1 . 1 . . . . . . . . 5297 1 754 . 1 1 60 60 GLN N N 15 124.46 0.05 . 1 . . . . . . . . 5297 1 755 . 1 1 60 60 GLN H H 1 9.25 0.04 . 1 . . . . . . . . 5297 1 756 . 1 1 60 60 GLN CA C 13 54.86 0.1 . 1 . . . . . . . . 5297 1 757 . 1 1 60 60 GLN HA H 1 5.53 0.04 . 1 . . . . . . . . 5297 1 758 . 1 1 60 60 GLN CB C 13 32.35 0.1 . 1 . . . . . . . . 5297 1 759 . 1 1 60 60 GLN HB3 H 1 2.26 0.04 . 2 . . . . . . . . 5297 1 760 . 1 1 60 60 GLN HB2 H 1 2.40 0.04 . 2 . . . . . . . . 5297 1 761 . 1 1 60 60 GLN CG C 13 34.69 0.1 . 1 . . . . . . . . 5297 1 762 . 1 1 60 60 GLN HG3 H 1 2.44 0.04 . 2 . . . . . . . . 5297 1 763 . 1 1 60 60 GLN HG2 H 1 2.48 0.04 . 2 . . . . . . . . 5297 1 764 . 1 1 60 60 GLN CD C 13 178.75 0.1 . 1 . . . . . . . . 5297 1 765 . 1 1 60 60 GLN NE2 N 15 109.94 0.05 . 1 . . . . . . . . 5297 1 766 . 1 1 60 60 GLN HE21 H 1 7.14 0.04 . 1 . . . . . . . . 5297 1 767 . 1 1 60 60 GLN HE22 H 1 6.47 0.04 . 1 . . . . . . . . 5297 1 768 . 1 1 60 60 GLN C C 13 175.56 0.1 . 1 . . . . . . . . 5297 1 769 . 1 1 61 61 PHE N N 15 125.39 0.05 . 1 . . . . . . . . 5297 1 770 . 1 1 61 61 PHE H H 1 9.49 0.04 . 1 . . . . . . . . 5297 1 771 . 1 1 61 61 PHE CA C 13 58.00 0.1 . 1 . . . . . . . . 5297 1 772 . 1 1 61 61 PHE HA H 1 5.31 0.04 . 1 . . . . . . . . 5297 1 773 . 1 1 61 61 PHE CB C 13 42.28 0.1 . 1 . . . . . . . . 5297 1 774 . 1 1 61 61 PHE HB3 H 1 3.44 0.04 . 1 . . . . . . . . 5297 1 775 . 1 1 61 61 PHE HB2 H 1 3.62 0.04 . 1 . . . . . . . . 5297 1 776 . 1 1 61 61 PHE CD1 C 13 132.62 0.1 . 3 . . . . . . . . 5297 1 777 . 1 1 61 61 PHE HD1 H 1 7.41 0.04 . 3 . . . . . . . . 5297 1 778 . 1 1 61 61 PHE CE1 C 13 130.95 0.1 . 3 . . . . . . . . 5297 1 779 . 1 1 61 61 PHE HE1 H 1 7.11 0.04 . 3 . . . . . . . . 5297 1 780 . 1 1 61 61 PHE CZ C 13 127.59 0.1 . 1 . . . . . . . . 5297 1 781 . 1 1 61 61 PHE HZ H 1 6.71 0.04 . 1 . . . . . . . . 5297 1 782 . 1 1 61 61 PHE C C 13 175.30 0.1 . 1 . . . . . . . . 5297 1 783 . 1 1 62 62 GLU N N 15 120.09 0.05 . 1 . . . . . . . . 5297 1 784 . 1 1 62 62 GLU H H 1 8.93 0.04 . 1 . . . . . . . . 5297 1 785 . 1 1 62 62 GLU CA C 13 57.98 0.1 . 1 . . . . . . . . 5297 1 786 . 1 1 62 62 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . 5297 1 787 . 1 1 62 62 GLU CB C 13 30.58 0.1 . 1 . . . . . . . . 5297 1 788 . 1 1 62 62 GLU HB3 H 1 2.00 0.04 . 1 . . . . . . . . 5297 1 789 . 1 1 62 62 GLU HB2 H 1 2.27 0.04 . 1 . . . . . . . . 5297 1 790 . 1 1 62 62 GLU CG C 13 36.32 0.1 . 1 . . . . . . . . 5297 1 791 . 1 1 62 62 GLU HG3 H 1 2.35 0.04 . 2 . . . . . . . . 5297 1 792 . 1 1 62 62 GLU HG2 H 1 2.41 0.04 . 2 . . . . . . . . 5297 1 793 . 1 1 62 62 GLU C C 13 176.00 0.1 . 1 . . . . . . . . 5297 1 794 . 1 1 63 63 GLY N N 15 108.23 0.05 . 1 . . . . . . . . 5297 1 795 . 1 1 63 63 GLY H H 1 7.70 0.04 . 1 . . . . . . . . 5297 1 796 . 1 1 63 63 GLY CA C 13 43.04 0.1 . 1 . . . . . . . . 5297 1 797 . 1 1 63 63 GLY HA3 H 1 4.27 0.04 . 1 . . . . . . . . 5297 1 798 . 1 1 63 63 GLY HA2 H 1 3.83 0.04 . 1 . . . . . . . . 5297 1 799 . 1 1 63 63 GLY C C 13 171.54 0.1 . 1 . . . . . . . . 5297 1 800 . 1 1 64 64 LYS N N 15 115.25 0.05 . 1 . . . . . . . . 5297 1 801 . 1 1 64 64 LYS H H 1 8.23 0.04 . 1 . . . . . . . . 5297 1 802 . 1 1 64 64 LYS CA C 13 57.18 0.1 . 1 . . . . . . . . 5297 1 803 . 1 1 64 64 LYS HA H 1 3.85 0.04 . 1 . . . . . . . . 5297 1 804 . 1 1 64 64 LYS CB C 13 33.02 0.1 . 1 . . . . . . . . 5297 1 805 . 1 1 64 64 LYS HB3 H 1 1.24 0.04 . 1 . . . . . . . . 5297 1 806 . 1 1 64 64 LYS HB2 H 1 1.68 0.04 . 1 . . . . . . . . 5297 1 807 . 1 1 64 64 LYS CG C 13 26.23 0.1 . 1 . . . . . . . . 5297 1 808 . 1 1 64 64 LYS HG3 H 1 1.18 0.04 . 2 . . . . . . . . 5297 1 809 . 1 1 64 64 LYS HG2 H 1 1.53 0.04 . 2 . . . . . . . . 5297 1 810 . 1 1 64 64 LYS CD C 13 29.80 0.1 . 1 . . . . . . . . 5297 1 811 . 1 1 64 64 LYS HD3 H 1 1.54 0.04 . 2 . . . . . . . . 5297 1 812 . 1 1 64 64 LYS HD2 H 1 1.61 0.04 . 2 . . . . . . . . 5297 1 813 . 1 1 64 64 LYS CE C 13 41.69 0.1 . 1 . . . . . . . . 5297 1 814 . 1 1 64 64 LYS HE2 H 1 2.99 0.04 . 2 . . . . . . . . 5297 1 815 . 1 1 64 64 LYS C C 13 176.19 0.1 . 1 . . . . . . . . 5297 1 816 . 1 1 65 65 TYR N N 15 124.59 0.05 . 1 . . . . . . . . 5297 1 817 . 1 1 65 65 TYR H H 1 8.29 0.04 . 1 . . . . . . . . 5297 1 818 . 1 1 65 65 TYR CA C 13 55.62 0.1 . 1 . . . . . . . . 5297 1 819 . 1 1 65 65 TYR HA H 1 4.62 0.04 . 1 . . . . . . . . 5297 1 820 . 1 1 65 65 TYR CB C 13 38.69 0.1 . 1 . . . . . . . . 5297 1 821 . 1 1 65 65 TYR HB3 H 1 2.29 0.04 . 1 . . . . . . . . 5297 1 822 . 1 1 65 65 TYR HB2 H 1 1.85 0.04 . 1 . . . . . . . . 5297 1 823 . 1 1 65 65 TYR CD1 C 13 131.58 0.1 . 3 . . . . . . . . 5297 1 824 . 1 1 65 65 TYR HD1 H 1 6.54 0.04 . 3 . . . . . . . . 5297 1 825 . 1 1 65 65 TYR CE1 C 13 117.09 0.1 . 3 . . . . . . . . 5297 1 826 . 1 1 65 65 TYR HE1 H 1 6.23 0.04 . 3 . . . . . . . . 5297 1 827 . 1 1 65 65 TYR C C 13 175.16 0.1 . 1 . . . . . . . . 5297 1 828 . 1 1 66 66 ASN N N 15 132.65 0.05 . 1 . . . . . . . . 5297 1 829 . 1 1 66 66 ASN H H 1 8.68 0.04 . 1 . . . . . . . . 5297 1 830 . 1 1 66 66 ASN CA C 13 49.87 0.1 . 1 . . . . . . . . 5297 1 831 . 1 1 66 66 ASN HA H 1 5.38 0.04 . 1 . . . . . . . . 5297 1 832 . 1 1 66 66 ASN CB C 13 38.49 0.1 . 1 . . . . . . . . 5297 1 833 . 1 1 66 66 ASN HB3 H 1 2.35 0.04 . 1 . . . . . . . . 5297 1 834 . 1 1 66 66 ASN HB2 H 1 2.68 0.04 . 1 . . . . . . . . 5297 1 835 . 1 1 66 66 ASN CG C 13 175.17 0.1 . 1 . . . . . . . . 5297 1 836 . 1 1 66 66 ASN ND2 N 15 110.26 0.05 . 1 . . . . . . . . 5297 1 837 . 1 1 66 66 ASN HD21 H 1 6.93 0.04 . 1 . . . . . . . . 5297 1 838 . 1 1 66 66 ASN HD22 H 1 6.68 0.04 . 1 . . . . . . . . 5297 1 839 . 1 1 66 66 ASN C C 13 170.96 0.1 . 1 . . . . . . . . 5297 1 840 . 1 1 67 67 CYS N N 15 126.51 0.05 . 1 . . . . . . . . 5297 1 841 . 1 1 67 67 CYS H H 1 8.43 0.04 . 1 . . . . . . . . 5297 1 842 . 1 1 67 67 CYS CA C 13 58.54 0.1 . 1 . . . . . . . . 5297 1 843 . 1 1 67 67 CYS HA H 1 4.00 0.04 . 1 . . . . . . . . 5297 1 844 . 1 1 67 67 CYS CB C 13 28.17 0.1 . 1 . . . . . . . . 5297 1 845 . 1 1 67 67 CYS HB3 H 1 2.89 0.04 . 2 . . . . . . . . 5297 1 846 . 1 1 67 67 CYS HB2 H 1 2.94 0.04 . 2 . . . . . . . . 5297 1 847 . 1 1 67 67 CYS C C 13 174.33 0.1 . 1 . . . . . . . . 5297 1 848 . 1 1 68 68 THR N N 15 117.03 0.05 . 1 . . . . . . . . 5297 1 849 . 1 1 68 68 THR H H 1 8.44 0.04 . 1 . . . . . . . . 5297 1 850 . 1 1 68 68 THR CA C 13 60.70 0.1 . 1 . . . . . . . . 5297 1 851 . 1 1 68 68 THR HA H 1 5.02 0.04 . 1 . . . . . . . . 5297 1 852 . 1 1 68 68 THR CB C 13 69.42 0.1 . 1 . . . . . . . . 5297 1 853 . 1 1 68 68 THR HB H 1 4.70 0.04 . 1 . . . . . . . . 5297 1 854 . 1 1 68 68 THR CG2 C 13 21.09 0.1 . 1 . . . . . . . . 5297 1 855 . 1 1 68 68 THR HG21 H 1 1.03 0.04 . 1 . . . . . . . . 5297 1 856 . 1 1 68 68 THR HG22 H 1 1.03 0.04 . 1 . . . . . . . . 5297 1 857 . 1 1 68 68 THR HG23 H 1 1.03 0.04 . 1 . . . . . . . . 5297 1 858 . 1 1 68 68 THR C C 13 173.72 0.1 . 1 . . . . . . . . 5297 1 859 . 1 1 69 69 ASN N N 15 121.03 0.05 . 1 . . . . . . . . 5297 1 860 . 1 1 69 69 ASN H H 1 7.78 0.04 . 1 . . . . . . . . 5297 1 861 . 1 1 69 69 ASN CA C 13 51.42 0.1 . 1 . . . . . . . . 5297 1 862 . 1 1 69 69 ASN HA H 1 5.11 0.04 . 1 . . . . . . . . 5297 1 863 . 1 1 69 69 ASN CB C 13 39.98 0.1 . 1 . . . . . . . . 5297 1 864 . 1 1 69 69 ASN HB3 H 1 2.96 0.04 . 2 . . . . . . . . 5297 1 865 . 1 1 69 69 ASN HB2 H 1 3.11 0.04 . 2 . . . . . . . . 5297 1 866 . 1 1 69 69 ASN ND2 N 15 111.51 0.05 . 1 . . . . . . . . 5297 1 867 . 1 1 69 69 ASN HD21 H 1 7.86 0.04 . 1 . . . . . . . . 5297 1 868 . 1 1 69 69 ASN HD22 H 1 7.19 0.04 . 1 . . . . . . . . 5297 1 869 . 1 1 69 69 ASN C C 13 175.29 0.1 . 1 . . . . . . . . 5297 1 870 . 1 1 70 70 GLN N N 15 124.62 0.05 . 1 . . . . . . . . 5297 1 871 . 1 1 70 70 GLN H H 1 9.19 0.04 . 1 . . . . . . . . 5297 1 872 . 1 1 70 70 GLN CA C 13 57.95 0.1 . 1 . . . . . . . . 5297 1 873 . 1 1 70 70 GLN HA H 1 3.48 0.04 . 1 . . . . . . . . 5297 1 874 . 1 1 70 70 GLN CB C 13 28.18 0.1 . 1 . . . . . . . . 5297 1 875 . 1 1 70 70 GLN HB3 H 1 1.51 0.04 . 2 . . . . . . . . 5297 1 876 . 1 1 70 70 GLN HB2 H 1 1.64 0.04 . 2 . . . . . . . . 5297 1 877 . 1 1 70 70 GLN CG C 13 33.65 0.1 . 1 . . . . . . . . 5297 1 878 . 1 1 70 70 GLN HG3 H 1 1.75 0.04 . 2 . . . . . . . . 5297 1 879 . 1 1 70 70 GLN HG2 H 1 1.90 0.04 . 2 . . . . . . . . 5297 1 880 . 1 1 70 70 GLN CD C 13 179.96 0.1 . 1 . . . . . . . . 5297 1 881 . 1 1 70 70 GLN NE2 N 15 111.91 0.05 . 1 . . . . . . . . 5297 1 882 . 1 1 70 70 GLN HE21 H 1 7.30 0.04 . 1 . . . . . . . . 5297 1 883 . 1 1 70 70 GLN HE22 H 1 6.91 0.04 . 1 . . . . . . . . 5297 1 884 . 1 1 70 70 GLN C C 13 176.56 0.1 . 1 . . . . . . . . 5297 1 885 . 1 1 71 71 ARG N N 15 116.70 0.05 . 1 . . . . . . . . 5297 1 886 . 1 1 71 71 ARG H H 1 8.21 0.04 . 1 . . . . . . . . 5297 1 887 . 1 1 71 71 ARG CA C 13 55.65 0.1 . 1 . . . . . . . . 5297 1 888 . 1 1 71 71 ARG HA H 1 4.68 0.04 . 1 . . . . . . . . 5297 1 889 . 1 1 71 71 ARG CB C 13 29.58 0.1 . 1 . . . . . . . . 5297 1 890 . 1 1 71 71 ARG HB3 H 1 2.10 0.04 . 1 . . . . . . . . 5297 1 891 . 1 1 71 71 ARG HB2 H 1 1.75 0.04 . 1 . . . . . . . . 5297 1 892 . 1 1 71 71 ARG CG C 13 27.42 0.1 . 1 . . . . . . . . 5297 1 893 . 1 1 71 71 ARG HG3 H 1 1.54 0.04 . 2 . . . . . . . . 5297 1 894 . 1 1 71 71 ARG HG2 H 1 1.61 0.04 . 2 . . . . . . . . 5297 1 895 . 1 1 71 71 ARG CD C 13 42.87 0.1 . 1 . . . . . . . . 5297 1 896 . 1 1 71 71 ARG HD2 H 1 3.12 0.04 . 2 . . . . . . . . 5297 1 897 . 1 1 71 71 ARG C C 13 178.18 0.1 . 1 . . . . . . . . 5297 1 898 . 1 1 72 72 PHE N N 15 121.75 0.05 . 1 . . . . . . . . 5297 1 899 . 1 1 72 72 PHE H H 1 7.90 0.04 . 1 . . . . . . . . 5297 1 900 . 1 1 72 72 PHE CA C 13 62.33 0.1 . 1 . . . . . . . . 5297 1 901 . 1 1 72 72 PHE HA H 1 3.81 0.04 . 1 . . . . . . . . 5297 1 902 . 1 1 72 72 PHE CB C 13 41.26 0.1 . 1 . . . . . . . . 5297 1 903 . 1 1 72 72 PHE HB3 H 1 2.38 0.04 . 1 . . . . . . . . 5297 1 904 . 1 1 72 72 PHE HB2 H 1 3.46 0.04 . 1 . . . . . . . . 5297 1 905 . 1 1 72 72 PHE CD1 C 13 131.29 0.1 . 3 . . . . . . . . 5297 1 906 . 1 1 72 72 PHE HD1 H 1 6.11 0.04 . 3 . . . . . . . . 5297 1 907 . 1 1 72 72 PHE CE1 C 13 130.85 0.1 . 3 . . . . . . . . 5297 1 908 . 1 1 72 72 PHE HE1 H 1 6.85 0.04 . 3 . . . . . . . . 5297 1 909 . 1 1 72 72 PHE CZ C 13 129.55 0.1 . 1 . . . . . . . . 5297 1 910 . 1 1 72 72 PHE HZ H 1 6.99 0.04 . 1 . . . . . . . . 5297 1 911 . 1 1 72 72 PHE C C 13 175.13 0.1 . 1 . . . . . . . . 5297 1 912 . 1 1 73 73 PHE N N 15 110.27 0.05 . 1 . . . . . . . . 5297 1 913 . 1 1 73 73 PHE H H 1 8.36 0.04 . 1 . . . . . . . . 5297 1 914 . 1 1 73 73 PHE CA C 13 56.43 0.1 . 1 . . . . . . . . 5297 1 915 . 1 1 73 73 PHE HA H 1 4.48 0.04 . 1 . . . . . . . . 5297 1 916 . 1 1 73 73 PHE CB C 13 39.67 0.1 . 1 . . . . . . . . 5297 1 917 . 1 1 73 73 PHE HB3 H 1 3.59 0.04 . 1 . . . . . . . . 5297 1 918 . 1 1 73 73 PHE HB2 H 1 2.81 0.04 . 1 . . . . . . . . 5297 1 919 . 1 1 73 73 PHE CD1 C 13 132.93 0.1 . 3 . . . . . . . . 5297 1 920 . 1 1 73 73 PHE HD1 H 1 7.18 0.04 . 3 . . . . . . . . 5297 1 921 . 1 1 73 73 PHE CE1 C 13 130.98 0.1 . 3 . . . . . . . . 5297 1 922 . 1 1 73 73 PHE HE1 H 1 7.34 0.04 . 3 . . . . . . . . 5297 1 923 . 1 1 73 73 PHE CZ C 13 128.38 0.1 . 1 . . . . . . . . 5297 1 924 . 1 1 73 73 PHE HZ H 1 6.80 0.04 . 1 . . . . . . . . 5297 1 925 . 1 1 73 73 PHE C C 13 174.78 0.1 . 1 . . . . . . . . 5297 1 926 . 1 1 74 74 ASP N N 15 122.71 0.05 . 1 . . . . . . . . 5297 1 927 . 1 1 74 74 ASP H H 1 7.57 0.04 . 1 . . . . . . . . 5297 1 928 . 1 1 74 74 ASP CA C 13 56.03 0.1 . 1 . . . . . . . . 5297 1 929 . 1 1 74 74 ASP HA H 1 5.16 0.04 . 1 . . . . . . . . 5297 1 930 . 1 1 74 74 ASP CB C 13 39.48 0.1 . 1 . . . . . . . . 5297 1 931 . 1 1 74 74 ASP HB3 H 1 2.52 0.04 . 1 . . . . . . . . 5297 1 932 . 1 1 74 74 ASP HB2 H 1 2.89 0.04 . 1 . . . . . . . . 5297 1 933 . 1 1 74 74 ASP C C 13 176.27 0.1 . 1 . . . . . . . . 5297 1 934 . 1 1 75 75 LEU N N 15 121.78 0.05 . 1 . . . . . . . . 5297 1 935 . 1 1 75 75 LEU H H 1 8.69 0.04 . 1 . . . . . . . . 5297 1 936 . 1 1 75 75 LEU CA C 13 52.85 0.1 . 1 . . . . . . . . 5297 1 937 . 1 1 75 75 LEU HA H 1 4.91 0.04 . 1 . . . . . . . . 5297 1 938 . 1 1 75 75 LEU CB C 13 44.55 0.1 . 1 . . . . . . . . 5297 1 939 . 1 1 75 75 LEU HB3 H 1 1.31 0.04 . 1 . . . . . . . . 5297 1 940 . 1 1 75 75 LEU HB2 H 1 1.57 0.04 . 1 . . . . . . . . 5297 1 941 . 1 1 75 75 LEU CG C 13 26.40 0.1 . 1 . . . . . . . . 5297 1 942 . 1 1 75 75 LEU HG H 1 1.91 0.04 . 1 . . . . . . . . 5297 1 943 . 1 1 75 75 LEU CD1 C 13 22.25 0.1 . 1 . . . . . . . . 5297 1 944 . 1 1 75 75 LEU HD11 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 945 . 1 1 75 75 LEU HD12 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 946 . 1 1 75 75 LEU HD13 H 1 0.66 0.04 . 1 . . . . . . . . 5297 1 947 . 1 1 75 75 LEU CD2 C 13 24.62 0.1 . 1 . . . . . . . . 5297 1 948 . 1 1 75 75 LEU HD21 H 1 -0.03 0.04 . 1 . . . . . . . . 5297 1 949 . 1 1 75 75 LEU HD22 H 1 -0.03 0.04 . 1 . . . . . . . . 5297 1 950 . 1 1 75 75 LEU HD23 H 1 -0.03 0.04 . 1 . . . . . . . . 5297 1 951 . 1 1 75 75 LEU C C 13 176.57 0.1 . 1 . . . . . . . . 5297 1 952 . 1 1 76 76 VAL N N 15 118.42 0.05 . 1 . . . . . . . . 5297 1 953 . 1 1 76 76 VAL H H 1 9.16 0.04 . 1 . . . . . . . . 5297 1 954 . 1 1 76 76 VAL CA C 13 60.27 0.1 . 1 . . . . . . . . 5297 1 955 . 1 1 76 76 VAL HA H 1 4.70 0.04 . 1 . . . . . . . . 5297 1 956 . 1 1 76 76 VAL CB C 13 34.62 0.1 . 1 . . . . . . . . 5297 1 957 . 1 1 76 76 VAL HB H 1 1.96 0.04 . 1 . . . . . . . . 5297 1 958 . 1 1 76 76 VAL CG2 C 13 20.64 0.1 . 1 . . . . . . . . 5297 1 959 . 1 1 76 76 VAL HG21 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 960 . 1 1 76 76 VAL HG22 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 961 . 1 1 76 76 VAL HG23 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 962 . 1 1 76 76 VAL CG1 C 13 19.76 0.1 . 1 . . . . . . . . 5297 1 963 . 1 1 76 76 VAL HG11 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 964 . 1 1 76 76 VAL HG12 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 965 . 1 1 76 76 VAL HG13 H 1 0.72 0.04 . 1 . . . . . . . . 5297 1 966 . 1 1 76 76 VAL C C 13 176.20 0.1 . 1 . . . . . . . . 5297 1 967 . 1 1 77 77 SER N N 15 118.55 0.05 . 1 . . . . . . . . 5297 1 968 . 1 1 77 77 SER H H 1 8.38 0.04 . 1 . . . . . . . . 5297 1 969 . 1 1 77 77 SER CA C 13 55.26 0.1 . 1 . . . . . . . . 5297 1 970 . 1 1 77 77 SER HA H 1 4.98 0.04 . 1 . . . . . . . . 5297 1 971 . 1 1 77 77 SER CB C 13 63.79 0.1 . 1 . . . . . . . . 5297 1 972 . 1 1 77 77 SER HB3 H 1 4.00 0.04 . 2 . . . . . . . . 5297 1 973 . 1 1 77 77 SER HB2 H 1 4.09 0.04 . 2 . . . . . . . . 5297 1 974 . 1 1 78 78 PRO CA C 13 64.23 0.1 . 1 . . . . . . . . 5297 1 975 . 1 1 78 78 PRO HA H 1 4.61 0.04 . 1 . . . . . . . . 5297 1 976 . 1 1 78 78 PRO CB C 13 32.16 0.1 . 1 . . . . . . . . 5297 1 977 . 1 1 78 78 PRO HB3 H 1 2.06 0.04 . 2 . . . . . . . . 5297 1 978 . 1 1 78 78 PRO HB2 H 1 2.37 0.04 . 2 . . . . . . . . 5297 1 979 . 1 1 78 78 PRO CG C 13 27.11 0.1 . 1 . . . . . . . . 5297 1 980 . 1 1 78 78 PRO HG2 H 1 2.08 0.04 . 2 . . . . . . . . 5297 1 981 . 1 1 78 78 PRO CD C 13 50.73 0.1 . 1 . . . . . . . . 5297 1 982 . 1 1 78 78 PRO HD3 H 1 3.78 0.04 . 2 . . . . . . . . 5297 1 983 . 1 1 78 78 PRO HD2 H 1 3.99 0.04 . 2 . . . . . . . . 5297 1 984 . 1 1 78 78 PRO C C 13 177.77 0.1 . 1 . . . . . . . . 5297 1 985 . 1 1 79 79 THR N N 15 107.15 0.05 . 1 . . . . . . . . 5297 1 986 . 1 1 79 79 THR H H 1 7.83 0.04 . 1 . . . . . . . . 5297 1 987 . 1 1 79 79 THR CA C 13 61.47 0.1 . 1 . . . . . . . . 5297 1 988 . 1 1 79 79 THR HA H 1 4.43 0.04 . 1 . . . . . . . . 5297 1 989 . 1 1 79 79 THR CB C 13 69.50 0.1 . 1 . . . . . . . . 5297 1 990 . 1 1 79 79 THR HB H 1 4.38 0.04 . 1 . . . . . . . . 5297 1 991 . 1 1 79 79 THR CG2 C 13 21.97 0.1 . 1 . . . . . . . . 5297 1 992 . 1 1 79 79 THR HG21 H 1 1.19 0.04 . 1 . . . . . . . . 5297 1 993 . 1 1 79 79 THR HG22 H 1 1.19 0.04 . 1 . . . . . . . . 5297 1 994 . 1 1 79 79 THR HG23 H 1 1.19 0.04 . 1 . . . . . . . . 5297 1 995 . 1 1 79 79 THR C C 13 174.31 0.1 . 1 . . . . . . . . 5297 1 996 . 1 1 80 80 ARG N N 15 118.99 0.05 . 1 . . . . . . . . 5297 1 997 . 1 1 80 80 ARG H H 1 7.92 0.04 . 1 . . . . . . . . 5297 1 998 . 1 1 80 80 ARG CA C 13 55.45 0.1 . 1 . . . . . . . . 5297 1 999 . 1 1 80 80 ARG HA H 1 4.40 0.04 . 1 . . . . . . . . 5297 1 1000 . 1 1 80 80 ARG CB C 13 30.60 0.1 . 1 . . . . . . . . 5297 1 1001 . 1 1 80 80 ARG HB2 H 1 1.87 0.04 . 2 . . . . . . . . 5297 1 1002 . 1 1 80 80 ARG CG C 13 26.66 0.1 . 1 . . . . . . . . 5297 1 1003 . 1 1 80 80 ARG HG3 H 1 1.46 0.04 . 2 . . . . . . . . 5297 1 1004 . 1 1 80 80 ARG HG2 H 1 1.65 0.04 . 2 . . . . . . . . 5297 1 1005 . 1 1 80 80 ARG CD C 13 43.04 0.1 . 1 . . . . . . . . 5297 1 1006 . 1 1 80 80 ARG HD2 H 1 3.16 0.04 . 2 . . . . . . . . 5297 1 1007 . 1 1 81 81 SER CA C 13 58.18 0.1 . 1 . . . . . . . . 5297 1 1008 . 1 1 81 81 SER HA H 1 4.37 0.04 . 1 . . . . . . . . 5297 1 1009 . 1 1 81 81 SER CB C 13 62.38 0.1 . 1 . . . . . . . . 5297 1 1010 . 1 1 81 81 SER HB2 H 1 3.90 0.04 . 2 . . . . . . . . 5297 1 1011 . 1 1 81 81 SER C C 13 173.74 0.1 . 1 . . . . . . . . 5297 1 1012 . 1 1 82 82 ALA N N 15 124.61 0.05 . 1 . . . . . . . . 5297 1 1013 . 1 1 82 82 ALA H H 1 7.55 0.04 . 1 . . . . . . . . 5297 1 1014 . 1 1 82 82 ALA CA C 13 51.43 0.1 . 1 . . . . . . . . 5297 1 1015 . 1 1 82 82 ALA HA H 1 4.42 0.04 . 1 . . . . . . . . 5297 1 1016 . 1 1 82 82 ALA CB C 13 21.01 0.1 . 1 . . . . . . . . 5297 1 1017 . 1 1 82 82 ALA HB1 H 1 1.09 0.04 . 1 . . . . . . . . 5297 1 1018 . 1 1 82 82 ALA HB2 H 1 1.09 0.04 . 1 . . . . . . . . 5297 1 1019 . 1 1 82 82 ALA HB3 H 1 1.09 0.04 . 1 . . . . . . . . 5297 1 1020 . 1 1 82 82 ALA C C 13 175.54 0.1 . 1 . . . . . . . . 5297 1 1021 . 1 1 83 83 HIS N N 15 118.74 0.05 . 1 . . . . . . . . 5297 1 1022 . 1 1 83 83 HIS H H 1 8.26 0.04 . 1 . . . . . . . . 5297 1 1023 . 1 1 83 83 HIS CA C 13 54.32 0.1 . 1 . . . . . . . . 5297 1 1024 . 1 1 83 83 HIS HA H 1 5.00 0.04 . 1 . . . . . . . . 5297 1 1025 . 1 1 83 83 HIS CB C 13 32.46 0.1 . 1 . . . . . . . . 5297 1 1026 . 1 1 83 83 HIS HB2 H 1 2.96 0.04 . 2 . . . . . . . . 5297 1 1027 . 1 1 83 83 HIS CD2 C 13 119.28 0.1 . 1 . . . . . . . . 5297 1 1028 . 1 1 83 83 HIS HD2 H 1 6.91 0.04 . 1 . . . . . . . . 5297 1 1029 . 1 1 83 83 HIS NE2 N 15 183.75 0.05 . 1 . . . . . . . . 5297 1 1030 . 1 1 83 83 HIS CE1 C 13 137.56 0.1 . 1 . . . . . . . . 5297 1 1031 . 1 1 83 83 HIS HE1 H 1 7.96 0.04 . 1 . . . . . . . . 5297 1 1032 . 1 1 83 83 HIS ND1 N 15 207.96 0.05 . 1 . . . . . . . . 5297 1 1033 . 1 1 83 83 HIS C C 13 174.19 0.1 . 1 . . . . . . . . 5297 1 1034 . 1 1 84 84 PHE N N 15 120.52 0.05 . 1 . . . . . . . . 5297 1 1035 . 1 1 84 84 PHE H H 1 9.38 0.04 . 1 . . . . . . . . 5297 1 1036 . 1 1 84 84 PHE CA C 13 56.92 0.1 . 1 . . . . . . . . 5297 1 1037 . 1 1 84 84 PHE HA H 1 4.92 0.04 . 1 . . . . . . . . 5297 1 1038 . 1 1 84 84 PHE CB C 13 40.12 0.1 . 1 . . . . . . . . 5297 1 1039 . 1 1 84 84 PHE HB3 H 1 3.59 0.04 . 1 . . . . . . . . 5297 1 1040 . 1 1 84 84 PHE HB2 H 1 2.77 0.04 . 1 . . . . . . . . 5297 1 1041 . 1 1 84 84 PHE CD1 C 13 131.99 0.1 . 3 . . . . . . . . 5297 1 1042 . 1 1 84 84 PHE HD1 H 1 7.17 0.04 . 3 . . . . . . . . 5297 1 1043 . 1 1 84 84 PHE CE1 C 13 131.60 0.1 . 3 . . . . . . . . 5297 1 1044 . 1 1 84 84 PHE HE1 H 1 7.37 0.04 . 3 . . . . . . . . 5297 1 1045 . 1 1 84 84 PHE CZ C 13 130.16 0.1 . 1 . . . . . . . . 5297 1 1046 . 1 1 84 84 PHE HZ H 1 7.52 0.04 . 1 . . . . . . . . 5297 1 1047 . 1 1 84 84 PHE C C 13 174.17 0.1 . 1 . . . . . . . . 5297 1 1048 . 1 1 85 85 HIS N N 15 125.57 0.05 . 1 . . . . . . . . 5297 1 1049 . 1 1 85 85 HIS H H 1 9.13 0.04 . 1 . . . . . . . . 5297 1 1050 . 1 1 85 85 HIS CA C 13 51.04 0.1 . 1 . . . . . . . . 5297 1 1051 . 1 1 85 85 HIS HA H 1 5.62 0.04 . 1 . . . . . . . . 5297 1 1052 . 1 1 85 85 HIS CB C 13 30.64 0.1 . 1 . . . . . . . . 5297 1 1053 . 1 1 85 85 HIS HB3 H 1 3.35 0.04 . 1 . . . . . . . . 5297 1 1054 . 1 1 85 85 HIS HB2 H 1 3.10 0.04 . 1 . . . . . . . . 5297 1 1055 . 1 1 85 85 HIS CD2 C 13 121.31 0.1 . 1 . . . . . . . . 5297 1 1056 . 1 1 85 85 HIS HD2 H 1 7.14 0.04 . 1 . . . . . . . . 5297 1 1057 . 1 1 85 85 HIS NE2 N 15 182.57 0.05 . 1 . . . . . . . . 5297 1 1058 . 1 1 85 85 HIS CE1 C 13 136.69 0.1 . 1 . . . . . . . . 5297 1 1059 . 1 1 85 85 HIS HE1 H 1 8.54 0.04 . 1 . . . . . . . . 5297 1 1060 . 1 1 85 85 HIS ND1 N 15 181.90 0.05 . 1 . . . . . . . . 5297 1 1061 . 1 1 86 86 PRO CA C 13 61.55 0.1 . 1 . . . . . . . . 5297 1 1062 . 1 1 86 86 PRO HA H 1 4.80 0.04 . 1 . . . . . . . . 5297 1 1063 . 1 1 86 86 PRO CB C 13 29.41 0.1 . 1 . . . . . . . . 5297 1 1064 . 1 1 86 86 PRO HB3 H 1 -0.36 0.04 . 2 . . . . . . . . 5297 1 1065 . 1 1 86 86 PRO HB2 H 1 1.01 0.04 . 2 . . . . . . . . 5297 1 1066 . 1 1 86 86 PRO CD C 13 50.80 0.1 . 1 . . . . . . . . 5297 1 1067 . 1 1 86 86 PRO HD3 H 1 3.76 0.04 . 2 . . . . . . . . 5297 1 1068 . 1 1 86 86 PRO HD2 H 1 4.02 0.04 . 2 . . . . . . . . 5297 1 1069 . 1 1 86 86 PRO C C 13 176.60 0.1 . 1 . . . . . . . . 5297 1 1070 . 1 1 87 87 ASN N N 15 114.98 0.05 . 1 . . . . . . . . 5297 1 1071 . 1 1 87 87 ASN H H 1 8.47 0.04 . 1 . . . . . . . . 5297 1 1072 . 1 1 87 87 ASN CA C 13 53.22 0.1 . 1 . . . . . . . . 5297 1 1073 . 1 1 87 87 ASN HA H 1 4.74 0.04 . 1 . . . . . . . . 5297 1 1074 . 1 1 87 87 ASN CB C 13 39.51 0.1 . 1 . . . . . . . . 5297 1 1075 . 1 1 87 87 ASN HB2 H 1 2.75 0.04 . 2 . . . . . . . . 5297 1 1076 . 1 1 87 87 ASN ND2 N 15 112.77 0.05 . 1 . . . . . . . . 5297 1 1077 . 1 1 87 87 ASN HD21 H 1 7.65 0.04 . 1 . . . . . . . . 5297 1 1078 . 1 1 87 87 ASN HD22 H 1 7.03 0.04 . 1 . . . . . . . . 5297 1 1079 . 1 1 87 87 ASN C C 13 174.96 0.1 . 1 . . . . . . . . 5297 1 1080 . 1 1 88 88 ILE N N 15 126.28 0.05 . 1 . . . . . . . . 5297 1 1081 . 1 1 88 88 ILE H H 1 8.54 0.04 . 1 . . . . . . . . 5297 1 1082 . 1 1 88 88 ILE CA C 13 61.46 0.1 . 1 . . . . . . . . 5297 1 1083 . 1 1 88 88 ILE HA H 1 4.46 0.04 . 1 . . . . . . . . 5297 1 1084 . 1 1 88 88 ILE CB C 13 40.38 0.1 . 1 . . . . . . . . 5297 1 1085 . 1 1 88 88 ILE HB H 1 1.93 0.04 . 1 . . . . . . . . 5297 1 1086 . 1 1 88 88 ILE CG1 C 13 27.14 0.1 . 1 . . . . . . . . 5297 1 1087 . 1 1 88 88 ILE HG13 H 1 0.81 0.04 . 2 . . . . . . . . 5297 1 1088 . 1 1 88 88 ILE HG12 H 1 1.66 0.04 . 2 . . . . . . . . 5297 1 1089 . 1 1 88 88 ILE CD1 C 13 14.48 0.1 . 1 . . . . . . . . 5297 1 1090 . 1 1 88 88 ILE HD11 H 1 1.30 0.04 . 1 . . . . . . . . 5297 1 1091 . 1 1 88 88 ILE HD12 H 1 1.30 0.04 . 1 . . . . . . . . 5297 1 1092 . 1 1 88 88 ILE HD13 H 1 1.30 0.04 . 1 . . . . . . . . 5297 1 1093 . 1 1 88 88 ILE CG2 C 13 18.40 0.1 . 1 . . . . . . . . 5297 1 1094 . 1 1 88 88 ILE HG21 H 1 1.14 0.04 . 1 . . . . . . . . 5297 1 1095 . 1 1 88 88 ILE HG22 H 1 1.14 0.04 . 1 . . . . . . . . 5297 1 1096 . 1 1 88 88 ILE HG23 H 1 1.14 0.04 . 1 . . . . . . . . 5297 1 1097 . 1 1 88 88 ILE C C 13 174.80 0.1 . 1 . . . . . . . . 5297 1 1098 . 1 1 89 89 GLN N N 15 124.85 0.05 . 1 . . . . . . . . 5297 1 1099 . 1 1 89 89 GLN H H 1 8.79 0.04 . 1 . . . . . . . . 5297 1 1100 . 1 1 89 89 GLN CA C 13 54.34 0.1 . 1 . . . . . . . . 5297 1 1101 . 1 1 89 89 GLN HA H 1 4.77 0.04 . 1 . . . . . . . . 5297 1 1102 . 1 1 89 89 GLN CB C 13 32.76 0.1 . 1 . . . . . . . . 5297 1 1103 . 1 1 89 89 GLN HB3 H 1 2.08 0.04 . 2 . . . . . . . . 5297 1 1104 . 1 1 89 89 GLN HB2 H 1 2.25 0.04 . 2 . . . . . . . . 5297 1 1105 . 1 1 89 89 GLN CG C 13 33.84 0.1 . 1 . . . . . . . . 5297 1 1106 . 1 1 89 89 GLN HG3 H 1 2.33 0.04 . 2 . . . . . . . . 5297 1 1107 . 1 1 89 89 GLN HG2 H 1 2.38 0.04 . 2 . . . . . . . . 5297 1 1108 . 1 1 89 89 GLN CD C 13 180.58 0.1 . 1 . . . . . . . . 5297 1 1109 . 1 1 89 89 GLN NE2 N 15 112.07 0.05 . 1 . . . . . . . . 5297 1 1110 . 1 1 89 89 GLN HE21 H 1 7.65 0.04 . 1 . . . . . . . . 5297 1 1111 . 1 1 89 89 GLN HE22 H 1 6.90 0.04 . 1 . . . . . . . . 5297 1 1112 . 1 1 89 89 GLN C C 13 174.96 0.1 . 1 . . . . . . . . 5297 1 1113 . 1 1 90 90 GLY N N 15 111.00 0.05 . 1 . . . . . . . . 5297 1 1114 . 1 1 90 90 GLY H H 1 8.86 0.04 . 1 . . . . . . . . 5297 1 1115 . 1 1 90 90 GLY CA C 13 43.90 0.1 . 1 . . . . . . . . 5297 1 1116 . 1 1 90 90 GLY HA3 H 1 3.12 0.04 . 1 . . . . . . . . 5297 1 1117 . 1 1 90 90 GLY HA2 H 1 4.22 0.04 . 1 . . . . . . . . 5297 1 1118 . 1 1 90 90 GLY C C 13 173.60 0.1 . 1 . . . . . . . . 5297 1 1119 . 1 1 91 91 ALA N N 15 125.99 0.05 . 1 . . . . . . . . 5297 1 1120 . 1 1 91 91 ALA H H 1 8.29 0.04 . 1 . . . . . . . . 5297 1 1121 . 1 1 91 91 ALA CA C 13 51.78 0.1 . 1 . . . . . . . . 5297 1 1122 . 1 1 91 91 ALA HA H 1 4.54 0.04 . 1 . . . . . . . . 5297 1 1123 . 1 1 91 91 ALA CB C 13 19.94 0.1 . 1 . . . . . . . . 5297 1 1124 . 1 1 91 91 ALA HB1 H 1 1.28 0.04 . 1 . . . . . . . . 5297 1 1125 . 1 1 91 91 ALA HB2 H 1 1.28 0.04 . 1 . . . . . . . . 5297 1 1126 . 1 1 91 91 ALA HB3 H 1 1.28 0.04 . 1 . . . . . . . . 5297 1 1127 . 1 1 91 91 ALA C C 13 178.07 0.1 . 1 . . . . . . . . 5297 1 1128 . 1 1 92 92 LYS N N 15 123.02 0.05 . 1 . . . . . . . . 5297 1 1129 . 1 1 92 92 LYS H H 1 9.07 0.04 . 1 . . . . . . . . 5297 1 1130 . 1 1 92 92 LYS CA C 13 57.26 0.1 . 1 . . . . . . . . 5297 1 1131 . 1 1 92 92 LYS HA H 1 4.34 0.04 . 1 . . . . . . . . 5297 1 1132 . 1 1 92 92 LYS CB C 13 33.00 0.1 . 1 . . . . . . . . 5297 1 1133 . 1 1 92 92 LYS HB3 H 1 1.89 0.04 . 2 . . . . . . . . 5297 1 1134 . 1 1 92 92 LYS HB2 H 1 1.93 0.04 . 2 . . . . . . . . 5297 1 1135 . 1 1 92 92 LYS CG C 13 24.98 0.1 . 1 . . . . . . . . 5297 1 1136 . 1 1 92 92 LYS HG2 H 1 1.49 0.04 . 2 . . . . . . . . 5297 1 1137 . 1 1 92 92 LYS CD C 13 28.84 0.1 . 1 . . . . . . . . 5297 1 1138 . 1 1 92 92 LYS HD2 H 1 1.67 0.04 . 2 . . . . . . . . 5297 1 1139 . 1 1 92 92 LYS CE C 13 41.69 0.1 . 1 . . . . . . . . 5297 1 1140 . 1 1 92 92 LYS HE2 H 1 2.93 0.04 . 2 . . . . . . . . 5297 1 1141 . 1 1 92 92 LYS C C 13 176.75 0.1 . 1 . . . . . . . . 5297 1 1142 . 1 1 93 93 SER N N 15 113.05 0.05 . 1 . . . . . . . . 5297 1 1143 . 1 1 93 93 SER H H 1 8.08 0.04 . 1 . . . . . . . . 5297 1 1144 . 1 1 93 93 SER CA C 13 56.67 0.1 . 1 . . . . . . . . 5297 1 1145 . 1 1 93 93 SER HA H 1 4.79 0.04 . 1 . . . . . . . . 5297 1 1146 . 1 1 93 93 SER CB C 13 64.99 0.1 . 1 . . . . . . . . 5297 1 1147 . 1 1 93 93 SER HB3 H 1 3.95 0.04 . 2 . . . . . . . . 5297 1 1148 . 1 1 93 93 SER HB2 H 1 4.15 0.04 . 2 . . . . . . . . 5297 1 1149 . 1 1 95 95 SER CA C 13 61.07 0.1 . 1 . . . . . . . . 5297 1 1150 . 1 1 95 95 SER HA H 1 4.27 0.04 . 1 . . . . . . . . 5297 1 1151 . 1 1 95 95 SER CB C 13 62.40 0.1 . 1 . . . . . . . . 5297 1 1152 . 1 1 95 95 SER HB2 H 1 4.04 0.04 . 2 . . . . . . . . 5297 1 1153 . 1 1 95 95 SER C C 13 176.57 0.1 . 1 . . . . . . . . 5297 1 1154 . 1 1 96 96 ASP N N 15 122.18 0.05 . 1 . . . . . . . . 5297 1 1155 . 1 1 96 96 ASP H H 1 7.83 0.04 . 1 . . . . . . . . 5297 1 1156 . 1 1 96 96 ASP CA C 13 56.75 0.1 . 1 . . . . . . . . 5297 1 1157 . 1 1 96 96 ASP HA H 1 4.49 0.04 . 1 . . . . . . . . 5297 1 1158 . 1 1 96 96 ASP CB C 13 40.76 0.1 . 1 . . . . . . . . 5297 1 1159 . 1 1 96 96 ASP HB3 H 1 2.89 0.04 . 1 . . . . . . . . 5297 1 1160 . 1 1 96 96 ASP HB2 H 1 2.72 0.04 . 1 . . . . . . . . 5297 1 1161 . 1 1 96 96 ASP C C 13 178.40 0.1 . 1 . . . . . . . . 5297 1 1162 . 1 1 97 97 VAL N N 15 118.27 0.05 . 1 . . . . . . . . 5297 1 1163 . 1 1 97 97 VAL H H 1 7.58 0.04 . 1 . . . . . . . . 5297 1 1164 . 1 1 97 97 VAL CA C 13 64.96 0.1 . 1 . . . . . . . . 5297 1 1165 . 1 1 97 97 VAL HA H 1 3.98 0.04 . 1 . . . . . . . . 5297 1 1166 . 1 1 97 97 VAL CB C 13 31.73 0.1 . 1 . . . . . . . . 5297 1 1167 . 1 1 97 97 VAL HB H 1 2.34 0.04 . 1 . . . . . . . . 5297 1 1168 . 1 1 97 97 VAL CG2 C 13 21.79 0.1 . 1 . . . . . . . . 5297 1 1169 . 1 1 97 97 VAL HG21 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 1170 . 1 1 97 97 VAL HG22 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 1171 . 1 1 97 97 VAL HG23 H 1 0.93 0.04 . 1 . . . . . . . . 5297 1 1172 . 1 1 97 97 VAL CG1 C 13 21.88 0.1 . 1 . . . . . . . . 5297 1 1173 . 1 1 97 97 VAL HG11 H 1 1.01 0.04 . 1 . . . . . . . . 5297 1 1174 . 1 1 97 97 VAL HG12 H 1 1.01 0.04 . 1 . . . . . . . . 5297 1 1175 . 1 1 97 97 VAL HG13 H 1 1.01 0.04 . 1 . . . . . . . . 5297 1 1176 . 1 1 97 97 VAL C C 13 176.78 0.1 . 1 . . . . . . . . 5297 1 1177 . 1 1 98 98 LYS N N 15 121.16 0.05 . 1 . . . . . . . . 5297 1 1178 . 1 1 98 98 LYS H H 1 7.94 0.04 . 1 . . . . . . . . 5297 1 1179 . 1 1 98 98 LYS CA C 13 59.30 0.1 . 1 . . . . . . . . 5297 1 1180 . 1 1 98 98 LYS HA H 1 3.82 0.04 . 1 . . . . . . . . 5297 1 1181 . 1 1 98 98 LYS CB C 13 32.10 0.1 . 1 . . . . . . . . 5297 1 1182 . 1 1 98 98 LYS HB2 H 1 1.92 0.04 . 2 . . . . . . . . 5297 1 1183 . 1 1 98 98 LYS CG C 13 24.76 0.1 . 1 . . . . . . . . 5297 1 1184 . 1 1 98 98 LYS HG2 H 1 1.43 0.04 . 2 . . . . . . . . 5297 1 1185 . 1 1 98 98 LYS CD C 13 28.82 0.1 . 1 . . . . . . . . 5297 1 1186 . 1 1 98 98 LYS HD2 H 1 1.61 0.04 . 2 . . . . . . . . 5297 1 1187 . 1 1 98 98 LYS CE C 13 41.83 0.1 . 1 . . . . . . . . 5297 1 1188 . 1 1 98 98 LYS HE2 H 1 2.97 0.04 . 2 . . . . . . . . 5297 1 1189 . 1 1 98 98 LYS C C 13 177.70 0.1 . 1 . . . . . . . . 5297 1 1190 . 1 1 99 99 SER N N 15 112.50 0.05 . 1 . . . . . . . . 5297 1 1191 . 1 1 99 99 SER H H 1 8.19 0.04 . 1 . . . . . . . . 5297 1 1192 . 1 1 99 99 SER CA C 13 61.20 0.1 . 1 . . . . . . . . 5297 1 1193 . 1 1 99 99 SER HA H 1 4.18 0.04 . 1 . . . . . . . . 5297 1 1194 . 1 1 99 99 SER CB C 13 62.49 0.1 . 1 . . . . . . . . 5297 1 1195 . 1 1 99 99 SER HB2 H 1 3.92 0.04 . 2 . . . . . . . . 5297 1 1196 . 1 1 99 99 SER C C 13 176.23 0.1 . 1 . . . . . . . . 5297 1 1197 . 1 1 100 100 TYR N N 15 121.12 0.05 . 1 . . . . . . . . 5297 1 1198 . 1 1 100 100 TYR H H 1 7.57 0.04 . 1 . . . . . . . . 5297 1 1199 . 1 1 100 100 TYR CA C 13 60.82 0.1 . 1 . . . . . . . . 5297 1 1200 . 1 1 100 100 TYR HA H 1 4.18 0.04 . 1 . . . . . . . . 5297 1 1201 . 1 1 100 100 TYR CB C 13 38.72 0.1 . 1 . . . . . . . . 5297 1 1202 . 1 1 100 100 TYR HB3 H 1 3.07 0.04 . 2 . . . . . . . . 5297 1 1203 . 1 1 100 100 TYR HB2 H 1 3.14 0.04 . 2 . . . . . . . . 5297 1 1204 . 1 1 100 100 TYR CD1 C 13 132.85 0.1 . 3 . . . . . . . . 5297 1 1205 . 1 1 100 100 TYR HD1 H 1 6.98 0.04 . 3 . . . . . . . . 5297 1 1206 . 1 1 100 100 TYR CE1 C 13 117.65 0.1 . 3 . . . . . . . . 5297 1 1207 . 1 1 100 100 TYR HE1 H 1 6.67 0.04 . 3 . . . . . . . . 5297 1 1208 . 1 1 100 100 TYR C C 13 178.50 0.1 . 1 . . . . . . . . 5297 1 1209 . 1 1 101 101 ILE N N 15 121.08 0.05 . 1 . . . . . . . . 5297 1 1210 . 1 1 101 101 ILE H H 1 8.24 0.04 . 1 . . . . . . . . 5297 1 1211 . 1 1 101 101 ILE CA C 13 64.03 0.1 . 1 . . . . . . . . 5297 1 1212 . 1 1 101 101 ILE HA H 1 3.47 0.04 . 1 . . . . . . . . 5297 1 1213 . 1 1 101 101 ILE CB C 13 36.59 0.1 . 1 . . . . . . . . 5297 1 1214 . 1 1 101 101 ILE HB H 1 1.87 0.04 . 1 . . . . . . . . 5297 1 1215 . 1 1 101 101 ILE CG1 C 13 28.44 0.1 . 1 . . . . . . . . 5297 1 1216 . 1 1 101 101 ILE HG13 H 1 0.97 0.04 . 2 . . . . . . . . 5297 1 1217 . 1 1 101 101 ILE HG12 H 1 1.13 0.04 . 2 . . . . . . . . 5297 1 1218 . 1 1 101 101 ILE CD1 C 13 12.65 0.1 . 1 . . . . . . . . 5297 1 1219 . 1 1 101 101 ILE HD11 H 1 0.30 0.04 . 1 . . . . . . . . 5297 1 1220 . 1 1 101 101 ILE HD12 H 1 0.30 0.04 . 1 . . . . . . . . 5297 1 1221 . 1 1 101 101 ILE HD13 H 1 0.30 0.04 . 1 . . . . . . . . 5297 1 1222 . 1 1 101 101 ILE CG2 C 13 17.26 0.1 . 1 . . . . . . . . 5297 1 1223 . 1 1 101 101 ILE HG21 H 1 0.54 0.04 . 1 . . . . . . . . 5297 1 1224 . 1 1 101 101 ILE HG22 H 1 0.54 0.04 . 1 . . . . . . . . 5297 1 1225 . 1 1 101 101 ILE HG23 H 1 0.54 0.04 . 1 . . . . . . . . 5297 1 1226 . 1 1 101 101 ILE C C 13 177.11 0.1 . 1 . . . . . . . . 5297 1 1227 . 1 1 102 102 ASP N N 15 118.83 0.05 . 1 . . . . . . . . 5297 1 1228 . 1 1 102 102 ASP H H 1 7.89 0.04 . 1 . . . . . . . . 5297 1 1229 . 1 1 102 102 ASP CA C 13 55.11 0.1 . 1 . . . . . . . . 5297 1 1230 . 1 1 102 102 ASP HA H 1 4.40 0.04 . 1 . . . . . . . . 5297 1 1231 . 1 1 102 102 ASP CB C 13 40.71 0.1 . 1 . . . . . . . . 5297 1 1232 . 1 1 102 102 ASP HB3 H 1 2.56 0.04 . 2 . . . . . . . . 5297 1 1233 . 1 1 102 102 ASP HB2 H 1 2.67 0.04 . 2 . . . . . . . . 5297 1 1234 . 1 1 102 102 ASP C C 13 176.61 0.1 . 1 . . . . . . . . 5297 1 1235 . 1 1 103 103 LYS N N 15 120.79 0.05 . 1 . . . . . . . . 5297 1 1236 . 1 1 103 103 LYS H H 1 7.08 0.04 . 1 . . . . . . . . 5297 1 1237 . 1 1 103 103 LYS CA C 13 57.66 0.1 . 1 . . . . . . . . 5297 1 1238 . 1 1 103 103 LYS HA H 1 4.04 0.04 . 1 . . . . . . . . 5297 1 1239 . 1 1 103 103 LYS CB C 13 32.99 0.1 . 1 . . . . . . . . 5297 1 1240 . 1 1 103 103 LYS HB2 H 1 1.74 0.04 . 2 . . . . . . . . 5297 1 1241 . 1 1 103 103 LYS CG C 13 24.37 0.1 . 1 . . . . . . . . 5297 1 1242 . 1 1 103 103 LYS HG3 H 1 1.44 0.04 . 2 . . . . . . . . 5297 1 1243 . 1 1 103 103 LYS HG2 H 1 1.49 0.04 . 2 . . . . . . . . 5297 1 1244 . 1 1 103 103 LYS CD C 13 29.27 0.1 . 1 . . . . . . . . 5297 1 1245 . 1 1 103 103 LYS HD2 H 1 1.58 0.04 . 2 . . . . . . . . 5297 1 1246 . 1 1 103 103 LYS CE C 13 41.57 0.1 . 1 . . . . . . . . 5297 1 1247 . 1 1 103 103 LYS HE3 H 1 2.86 0.04 . 2 . . . . . . . . 5297 1 1248 . 1 1 103 103 LYS HE2 H 1 2.92 0.04 . 2 . . . . . . . . 5297 1 1249 . 1 1 103 103 LYS C C 13 175.89 0.1 . 1 . . . . . . . . 5297 1 1250 . 1 1 104 104 ASP N N 15 125.43 0.05 . 1 . . . . . . . . 5297 1 1251 . 1 1 104 104 ASP H H 1 8.42 0.04 . 1 . . . . . . . . 5297 1 1252 . 1 1 104 104 ASP CA C 13 52.33 0.1 . 1 . . . . . . . . 5297 1 1253 . 1 1 104 104 ASP HA H 1 4.84 0.04 . 1 . . . . . . . . 5297 1 1254 . 1 1 104 104 ASP CB C 13 42.16 0.1 . 1 . . . . . . . . 5297 1 1255 . 1 1 104 104 ASP HB3 H 1 2.71 0.04 . 2 . . . . . . . . 5297 1 1256 . 1 1 104 104 ASP HB2 H 1 2.74 0.04 . 2 . . . . . . . . 5297 1 1257 . 1 1 104 104 ASP C C 13 175.10 0.1 . 1 . . . . . . . . 5297 1 1258 . 1 1 105 105 GLY N N 15 107.19 0.05 . 1 . . . . . . . . 5297 1 1259 . 1 1 105 105 GLY H H 1 8.22 0.04 . 1 . . . . . . . . 5297 1 1260 . 1 1 105 105 GLY CA C 13 45.31 0.1 . 1 . . . . . . . . 5297 1 1261 . 1 1 105 105 GLY HA3 H 1 3.79 0.04 . 1 . . . . . . . . 5297 1 1262 . 1 1 105 105 GLY HA2 H 1 4.15 0.04 . 1 . . . . . . . . 5297 1 1263 . 1 1 105 105 GLY C C 13 172.85 0.1 . 1 . . . . . . . . 5297 1 1264 . 1 1 106 106 ASP N N 15 127.23 0.05 . 1 . . . . . . . . 5297 1 1265 . 1 1 106 106 ASP H H 1 9.01 0.04 . 1 . . . . . . . . 5297 1 1266 . 1 1 106 106 ASP CA C 13 53.18 0.1 . 1 . . . . . . . . 5297 1 1267 . 1 1 106 106 ASP HA H 1 4.88 0.04 . 1 . . . . . . . . 5297 1 1268 . 1 1 106 106 ASP CB C 13 38.82 0.1 . 1 . . . . . . . . 5297 1 1269 . 1 1 106 106 ASP HB3 H 1 2.54 0.04 . 2 . . . . . . . . 5297 1 1270 . 1 1 106 106 ASP HB2 H 1 3.52 0.04 . 2 . . . . . . . . 5297 1 1271 . 1 1 106 106 ASP C C 13 174.89 0.1 . 1 . . . . . . . . 5297 1 1272 . 1 1 107 107 VAL N N 15 115.65 0.05 . 1 . . . . . . . . 5297 1 1273 . 1 1 107 107 VAL H H 1 7.76 0.04 . 1 . . . . . . . . 5297 1 1274 . 1 1 107 107 VAL CA C 13 58.64 0.1 . 1 . . . . . . . . 5297 1 1275 . 1 1 107 107 VAL HA H 1 5.66 0.04 . 1 . . . . . . . . 5297 1 1276 . 1 1 107 107 VAL CB C 13 36.98 0.1 . 1 . . . . . . . . 5297 1 1277 . 1 1 107 107 VAL HB H 1 2.00 0.04 . 1 . . . . . . . . 5297 1 1278 . 1 1 107 107 VAL CG2 C 13 21.71 0.1 . 1 . . . . . . . . 5297 1 1279 . 1 1 107 107 VAL HG21 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 1280 . 1 1 107 107 VAL HG22 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 1281 . 1 1 107 107 VAL HG23 H 1 0.80 0.04 . 1 . . . . . . . . 5297 1 1282 . 1 1 107 107 VAL CG1 C 13 18.72 0.1 . 1 . . . . . . . . 5297 1 1283 . 1 1 107 107 VAL HG11 H 1 0.90 0.04 . 1 . . . . . . . . 5297 1 1284 . 1 1 107 107 VAL HG12 H 1 0.90 0.04 . 1 . . . . . . . . 5297 1 1285 . 1 1 107 107 VAL HG13 H 1 0.90 0.04 . 1 . . . . . . . . 5297 1 1286 . 1 1 107 107 VAL C C 13 173.92 0.1 . 1 . . . . . . . . 5297 1 1287 . 1 1 108 108 LEU N N 15 124.27 0.05 . 1 . . . . . . . . 5297 1 1288 . 1 1 108 108 LEU H H 1 8.87 0.04 . 1 . . . . . . . . 5297 1 1289 . 1 1 108 108 LEU CA C 13 54.85 0.1 . 1 . . . . . . . . 5297 1 1290 . 1 1 108 108 LEU HA H 1 4.73 0.04 . 1 . . . . . . . . 5297 1 1291 . 1 1 108 108 LEU CB C 13 46.85 0.1 . 1 . . . . . . . . 5297 1 1292 . 1 1 108 108 LEU HB3 H 1 1.57 0.04 . 1 . . . . . . . . 5297 1 1293 . 1 1 108 108 LEU HB2 H 1 1.37 0.04 . 1 . . . . . . . . 5297 1 1294 . 1 1 108 108 LEU CG C 13 27.66 0.1 . 1 . . . . . . . . 5297 1 1295 . 1 1 108 108 LEU HG H 1 1.53 0.04 . 1 . . . . . . . . 5297 1 1296 . 1 1 108 108 LEU CD1 C 13 26.91 0.1 . 1 . . . . . . . . 5297 1 1297 . 1 1 108 108 LEU HD11 H 1 0.83 0.04 . 1 . . . . . . . . 5297 1 1298 . 1 1 108 108 LEU HD12 H 1 0.83 0.04 . 1 . . . . . . . . 5297 1 1299 . 1 1 108 108 LEU HD13 H 1 0.83 0.04 . 1 . . . . . . . . 5297 1 1300 . 1 1 108 108 LEU CD2 C 13 23.23 0.1 . 1 . . . . . . . . 5297 1 1301 . 1 1 108 108 LEU HD21 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1302 . 1 1 108 108 LEU HD22 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1303 . 1 1 108 108 LEU HD23 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1304 . 1 1 108 108 LEU C C 13 173.92 0.1 . 1 . . . . . . . . 5297 1 1305 . 1 1 109 109 GLU N N 15 125.15 0.05 . 1 . . . . . . . . 5297 1 1306 . 1 1 109 109 GLU H H 1 8.87 0.04 . 1 . . . . . . . . 5297 1 1307 . 1 1 109 109 GLU CA C 13 54.50 0.1 . 1 . . . . . . . . 5297 1 1308 . 1 1 109 109 GLU HA H 1 5.30 0.04 . 1 . . . . . . . . 5297 1 1309 . 1 1 109 109 GLU CB C 13 33.72 0.1 . 1 . . . . . . . . 5297 1 1310 . 1 1 109 109 GLU HB2 H 1 2.10 0.04 . 2 . . . . . . . . 5297 1 1311 . 1 1 109 109 GLU CG C 13 36.46 0.1 . 1 . . . . . . . . 5297 1 1312 . 1 1 109 109 GLU HG3 H 1 2.21 0.04 . 2 . . . . . . . . 5297 1 1313 . 1 1 109 109 GLU HG2 H 1 2.26 0.04 . 2 . . . . . . . . 5297 1 1314 . 1 1 109 109 GLU C C 13 174.30 0.1 . 1 . . . . . . . . 5297 1 1315 . 1 1 110 110 TRP N N 15 124.51 0.05 . 1 . . . . . . . . 5297 1 1316 . 1 1 110 110 TRP H H 1 8.83 0.04 . 1 . . . . . . . . 5297 1 1317 . 1 1 110 110 TRP CA C 13 57.31 0.1 . 1 . . . . . . . . 5297 1 1318 . 1 1 110 110 TRP HA H 1 4.56 0.04 . 1 . . . . . . . . 5297 1 1319 . 1 1 110 110 TRP CB C 13 33.99 0.1 . 1 . . . . . . . . 5297 1 1320 . 1 1 110 110 TRP HB2 H 1 3.01 0.04 . 2 . . . . . . . . 5297 1 1321 . 1 1 110 110 TRP CD1 C 13 127.50 0.1 . 1 . . . . . . . . 5297 1 1322 . 1 1 110 110 TRP HD1 H 1 7.38 0.04 . 1 . . . . . . . . 5297 1 1323 . 1 1 110 110 TRP NE1 N 15 129.16 0.05 . 1 . . . . . . . . 5297 1 1324 . 1 1 110 110 TRP HE1 H 1 10.17 0.04 . 1 . . . . . . . . 5297 1 1325 . 1 1 110 110 TRP CZ2 C 13 114.25 0.1 . 1 . . . . . . . . 5297 1 1326 . 1 1 110 110 TRP HZ2 H 1 7.51 0.04 . 1 . . . . . . . . 5297 1 1327 . 1 1 110 110 TRP CH2 C 13 124.24 0.1 . 1 . . . . . . . . 5297 1 1328 . 1 1 110 110 TRP HH2 H 1 7.24 0.04 . 1 . . . . . . . . 5297 1 1329 . 1 1 110 110 TRP CZ3 C 13 120.36 0.1 . 1 . . . . . . . . 5297 1 1330 . 1 1 110 110 TRP HZ3 H 1 6.59 0.04 . 1 . . . . . . . . 5297 1 1331 . 1 1 110 110 TRP CE3 C 13 120.47 0.1 . 1 . . . . . . . . 5297 1 1332 . 1 1 110 110 TRP HE3 H 1 7.21 0.04 . 1 . . . . . . . . 5297 1 1333 . 1 1 110 110 TRP C C 13 174.62 0.1 . 1 . . . . . . . . 5297 1 1334 . 1 1 111 111 GLY N N 15 113.64 0.05 . 1 . . . . . . . . 5297 1 1335 . 1 1 111 111 GLY H H 1 7.96 0.04 . 1 . . . . . . . . 5297 1 1336 . 1 1 111 111 GLY CA C 13 44.36 0.1 . 1 . . . . . . . . 5297 1 1337 . 1 1 111 111 GLY HA3 H 1 3.07 0.04 . 1 . . . . . . . . 5297 1 1338 . 1 1 111 111 GLY HA2 H 1 4.21 0.04 . 1 . . . . . . . . 5297 1 1339 . 1 1 111 111 GLY C C 13 174.96 0.1 . 1 . . . . . . . . 5297 1 1340 . 1 1 112 112 THR N N 15 116.32 0.05 . 1 . . . . . . . . 5297 1 1341 . 1 1 112 112 THR H H 1 8.06 0.04 . 1 . . . . . . . . 5297 1 1342 . 1 1 112 112 THR CA C 13 61.34 0.1 . 1 . . . . . . . . 5297 1 1343 . 1 1 112 112 THR HA H 1 4.56 0.04 . 1 . . . . . . . . 5297 1 1344 . 1 1 112 112 THR CB C 13 71.61 0.1 . 1 . . . . . . . . 5297 1 1345 . 1 1 112 112 THR HB H 1 3.77 0.04 . 1 . . . . . . . . 5297 1 1346 . 1 1 112 112 THR CG2 C 13 21.06 0.1 . 1 . . . . . . . . 5297 1 1347 . 1 1 112 112 THR HG21 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1348 . 1 1 112 112 THR HG22 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1349 . 1 1 112 112 THR HG23 H 1 1.10 0.04 . 1 . . . . . . . . 5297 1 1350 . 1 1 112 112 THR C C 13 172.38 0.1 . 1 . . . . . . . . 5297 1 1351 . 1 1 113 113 PHE N N 15 129.20 0.05 . 1 . . . . . . . . 5297 1 1352 . 1 1 113 113 PHE H H 1 8.17 0.04 . 1 . . . . . . . . 5297 1 1353 . 1 1 113 113 PHE CA C 13 57.41 0.1 . 1 . . . . . . . . 5297 1 1354 . 1 1 113 113 PHE HA H 1 3.79 0.04 . 1 . . . . . . . . 5297 1 1355 . 1 1 113 113 PHE CB C 13 37.97 0.1 . 1 . . . . . . . . 5297 1 1356 . 1 1 113 113 PHE HB3 H 1 1.69 0.04 . 1 . . . . . . . . 5297 1 1357 . 1 1 113 113 PHE HB2 H 1 1.90 0.04 . 1 . . . . . . . . 5297 1 1358 . 1 1 113 113 PHE CD1 C 13 131.76 0.1 . 3 . . . . . . . . 5297 1 1359 . 1 1 113 113 PHE HD1 H 1 6.70 0.04 . 3 . . . . . . . . 5297 1 1360 . 1 1 113 113 PHE CE1 C 13 130.90 0.1 . 3 . . . . . . . . 5297 1 1361 . 1 1 113 113 PHE HE1 H 1 7.10 0.04 . 3 . . . . . . . . 5297 1 1362 . 1 1 113 113 PHE CZ C 13 129.32 0.1 . 1 . . . . . . . . 5297 1 1363 . 1 1 113 113 PHE HZ H 1 7.13 0.04 . 1 . . . . . . . . 5297 1 1364 . 1 1 113 113 PHE C C 13 174.73 0.1 . 1 . . . . . . . . 5297 1 1365 . 1 1 114 114 GLN N N 15 127.43 0.05 . 1 . . . . . . . . 5297 1 1366 . 1 1 114 114 GLN H H 1 9.29 0.04 . 1 . . . . . . . . 5297 1 1367 . 1 1 114 114 GLN CA C 13 53.87 0.1 . 1 . . . . . . . . 5297 1 1368 . 1 1 114 114 GLN HA H 1 4.17 0.04 . 1 . . . . . . . . 5297 1 1369 . 1 1 114 114 GLN CB C 13 29.59 0.1 . 1 . . . . . . . . 5297 1 1370 . 1 1 114 114 GLN HB3 H 1 1.76 0.04 . 2 . . . . . . . . 5297 1 1371 . 1 1 114 114 GLN HB2 H 1 1.85 0.04 . 2 . . . . . . . . 5297 1 1372 . 1 1 114 114 GLN CG C 13 33.53 0.1 . 1 . . . . . . . . 5297 1 1373 . 1 1 114 114 GLN HG2 H 1 2.18 0.04 . 2 . . . . . . . . 5297 1 1374 . 1 1 114 114 GLN NE2 N 15 114.75 0.05 . 1 . . . . . . . . 5297 1 1375 . 1 1 114 114 GLN HE21 H 1 7.49 0.04 . 1 . . . . . . . . 5297 1 1376 . 1 1 114 114 GLN HE22 H 1 6.97 0.04 . 1 . . . . . . . . 5297 1 1377 . 1 1 114 114 GLN C C 13 174.71 0.1 . 1 . . . . . . . . 5297 1 1378 . 1 1 115 115 ILE N N 15 123.52 0.05 . 1 . . . . . . . . 5297 1 1379 . 1 1 115 115 ILE H H 1 8.13 0.04 . 1 . . . . . . . . 5297 1 1380 . 1 1 115 115 ILE CA C 13 60.60 0.1 . 1 . . . . . . . . 5297 1 1381 . 1 1 115 115 ILE HA H 1 3.97 0.04 . 1 . . . . . . . . 5297 1 1382 . 1 1 115 115 ILE CB C 13 39.09 0.1 . 1 . . . . . . . . 5297 1 1383 . 1 1 115 115 ILE HB H 1 1.78 0.04 . 1 . . . . . . . . 5297 1 1384 . 1 1 115 115 ILE CG1 C 13 27.29 0.1 . 1 . . . . . . . . 5297 1 1385 . 1 1 115 115 ILE HG13 H 1 1.42 0.04 . 2 . . . . . . . . 5297 1 1386 . 1 1 115 115 ILE HG12 H 1 1.14 0.04 . 2 . . . . . . . . 5297 1 1387 . 1 1 115 115 ILE CD1 C 13 13.24 0.1 . 1 . . . . . . . . 5297 1 1388 . 1 1 115 115 ILE HD11 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 1389 . 1 1 115 115 ILE HD12 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 1390 . 1 1 115 115 ILE HD13 H 1 0.87 0.04 . 1 . . . . . . . . 5297 1 1391 . 1 1 115 115 ILE CG2 C 13 22.35 0.1 . 1 . . . . . . . . 5297 1 1392 . 1 1 115 115 ILE HG21 H 1 0.89 0.04 . 1 . . . . . . . . 5297 1 1393 . 1 1 115 115 ILE HG22 H 1 0.89 0.04 . 1 . . . . . . . . 5297 1 1394 . 1 1 115 115 ILE HG23 H 1 0.89 0.04 . 1 . . . . . . . . 5297 1 1395 . 1 1 115 115 ILE C C 13 173.59 0.1 . 1 . . . . . . . . 5297 1 1396 . 1 1 116 116 ASP N N 15 124.22 0.05 . 1 . . . . . . . . 5297 1 1397 . 1 1 116 116 ASP H H 1 8.29 0.04 . 1 . . . . . . . . 5297 1 1398 . 1 1 116 116 ASP CA C 13 54.33 0.1 . 1 . . . . . . . . 5297 1 1399 . 1 1 116 116 ASP HA H 1 4.60 0.04 . 1 . . . . . . . . 5297 1 1400 . 1 1 116 116 ASP CB C 13 41.26 0.1 . 1 . . . . . . . . 5297 1 1401 . 1 1 116 116 ASP HB3 H 1 2.65 0.04 . 2 . . . . . . . . 5297 1 1402 . 1 1 116 116 ASP HB2 H 1 2.72 0.04 . 2 . . . . . . . . 5297 1 1403 . 1 1 116 116 ASP C C 13 176.52 0.1 . 1 . . . . . . . . 5297 1 1404 . 1 1 117 117 GLY N N 15 109.73 0.05 . 1 . . . . . . . . 5297 1 1405 . 1 1 117 117 GLY H H 1 8.36 0.04 . 1 . . . . . . . . 5297 1 1406 . 1 1 117 117 GLY CA C 13 45.31 0.1 . 1 . . . . . . . . 5297 1 1407 . 1 1 117 117 GLY HA2 H 1 3.94 0.04 . 2 . . . . . . . . 5297 1 1408 . 1 1 117 117 GLY C C 13 173.81 0.1 . 1 . . . . . . . . 5297 1 1409 . 1 1 118 118 ARG N N 15 125.62 0.05 . 1 . . . . . . . . 5297 1 1410 . 1 1 118 118 ARG H H 1 8.01 0.04 . 1 . . . . . . . . 5297 1 1411 . 1 1 118 118 ARG CA C 13 57.26 0.1 . 1 . . . . . . . . 5297 1 1412 . 1 1 118 118 ARG HA H 1 4.19 0.04 . 1 . . . . . . . . 5297 1 1413 . 1 1 118 118 ARG CB C 13 31.25 0.1 . 1 . . . . . . . . 5297 1 1414 . 1 1 118 118 ARG HB3 H 1 1.75 0.04 . 2 . . . . . . . . 5297 1 1415 . 1 1 118 118 ARG HB2 H 1 1.88 0.04 . 2 . . . . . . . . 5297 1 1416 . 1 1 118 118 ARG CG C 13 27.10 0.1 . 1 . . . . . . . . 5297 1 1417 . 1 1 118 118 ARG HG2 H 1 1.60 0.04 . 2 . . . . . . . . 5297 1 1418 . 1 1 118 118 ARG CD C 13 43.26 0.1 . 1 . . . . . . . . 5297 1 1419 . 1 1 118 118 ARG HD2 H 1 3.20 0.04 . 2 . . . . . . . . 5297 1 stop_ save_ ######################## # Coupling constants # ######################## save_Jhnha _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode Jhnha _Coupling_constant_list.Entry_ID 5297 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $cond_H2O _Coupling_constant_list.Spectrometer_frequency_1H 600 _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 $sample1 . 5297 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 4 4 PHE H H 1 . . 1 1 4 4 PHE HA H 1 . 4.85 . . 2.0 . . . . . . . . . . . 5297 1 2 3JHNHA . 1 1 6 6 ILE H H 1 . . 1 1 6 6 ILE HA H 1 . 9.44 . . 1.0 . . . . . . . . . . . 5297 1 3 3JHNHA . 1 1 7 7 LYS H H 1 . . 1 1 7 7 LYS HA H 1 . 7.68 . . 3.0 . . . . . . . . . . . 5297 1 4 3JHNHA . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA HA H 1 . 7.36 . . 1.0 . . . . . . . . . . . 5297 1 5 3JHNHA . 1 1 11 11 TYR H H 1 . . 1 1 11 11 TYR HA H 1 . 9.47 . . 1.0 . . . . . . . . . . . 5297 1 6 3JHNHA . 1 1 12 12 PHE H H 1 . . 1 1 12 12 PHE HA H 1 . 9.17 . . 1.0 . . . . . . . . . . . 5297 1 7 3JHNHA . 1 1 13 13 LEU H H 1 . . 1 1 13 13 LEU HA H 1 . 10.80 . . 2.0 . . . . . . . . . . . 5297 1 8 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 9.39 . . 1.0 . . . . . . . . . . . 5297 1 9 3JHNHA . 1 1 15 15 TYR H H 1 . . 1 1 15 15 TYR HA H 1 . 9.53 . . 1.0 . . . . . . . . . . . 5297 1 10 3JHNHA . 1 1 17 17 LYS H H 1 . . 1 1 17 17 LYS HA H 1 . 7.79 . . 1.5 . . . . . . . . . . . 5297 1 11 3JHNHA . 1 1 18 18 CYS H H 1 . . 1 1 18 18 CYS HA H 1 . 9.50 . . 1.0 . . . . . . . . . . . 5297 1 12 3JHNHA . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP HA H 1 . 8.65 . . 1.0 . . . . . . . . . . . 5297 1 13 3JHNHA . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU HA H 1 . 4.48 . . 1.5 . . . . . . . . . . . 5297 1 14 3JHNHA . 1 1 21 21 THR H H 1 . . 1 1 21 21 THR HA H 1 . 7.12 . . 1.0 . . . . . . . . . . . 5297 1 15 3JHNHA . 1 1 22 22 LYS H H 1 . . 1 1 22 22 LYS HA H 1 . 4.48 . . 2.0 . . . . . . . . . . . 5297 1 16 3JHNHA . 1 1 23 23 GLU H H 1 . . 1 1 23 23 GLU HA H 1 . 4.17 . . 1.0 . . . . . . . . . . . 5297 1 17 3JHNHA . 1 1 24 24 ASN H H 1 . . 1 1 24 24 ASN HA H 1 . 5.17 . . 1.0 . . . . . . . . . . . 5297 1 18 3JHNHA . 1 1 25 25 ALA H H 1 . . 1 1 25 25 ALA HA H 1 . 4.14 . . 1.5 . . . . . . . . . . . 5297 1 19 3JHNHA . 1 1 26 26 LEU H H 1 . . 1 1 26 26 LEU HA H 1 . 3.13 . . 2.5 . . . . . . . . . . . 5297 1 20 3JHNHA . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER HA H 1 . 3.02 . . 3.0 . . . . . . . . . . . 5297 1 21 3JHNHA . 1 1 28 28 GLN H H 1 . . 1 1 28 28 GLN HA H 1 . 5.52 . . 1.0 . . . . . . . . . . . 5297 1 22 3JHNHA . 1 1 29 29 ILE H H 1 . . 1 1 29 29 ILE HA H 1 . 5.04 . . 1.0 . . . . . . . . . . . 5297 1 23 3JHNHA . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR HA H 1 . 4.25 . . 1.0 . . . . . . . . . . . 5297 1 24 3JHNHA . 1 1 31 31 ASN H H 1 . . 1 1 31 31 ASN HA H 1 . 6.87 . . 1.0 . . . . . . . . . . . 5297 1 25 3JHNHA . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU HA H 1 . 5.47 . . 1.0 . . . . . . . . . . . 5297 1 26 3JHNHA . 1 1 33 33 GLN H H 1 . . 1 1 33 33 GLN HA H 1 . 6.22 . . 2.0 . . . . . . . . . . . 5297 1 27 3JHNHA . 1 1 34 34 THR H H 1 . . 1 1 34 34 THR HA H 1 . 6.94 . . 1.5 . . . . . . . . . . . 5297 1 28 3JHNHA . 1 1 36 36 THR H H 1 . . 1 1 36 36 THR HA H 1 . 9.35 . . 1.0 . . . . . . . . . . . 5297 1 29 3JHNHA . 1 1 37 37 ASN H H 1 . . 1 1 37 37 ASN HA H 1 . 3.81 . . 2.0 . . . . . . . . . . . 5297 1 30 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 7.54 . . 1.0 . . . . . . . . . . . 5297 1 31 3JHNHA . 1 1 39 39 LEU H H 1 . . 1 1 39 39 LEU HA H 1 . 8.60 . . 1.0 . . . . . . . . . . . 5297 1 32 3JHNHA . 1 1 40 40 PHE H H 1 . . 1 1 40 40 PHE HA H 1 . 8.33 . . 1.0 . . . . . . . . . . . 5297 1 33 3JHNHA . 1 1 41 41 ILE H H 1 . . 1 1 41 41 ILE HA H 1 . 8.26 . . 1.0 . . . . . . . . . . . 5297 1 34 3JHNHA . 1 1 42 42 LYS H H 1 . . 1 1 42 42 LYS HA H 1 . 8.34 . . 2.0 . . . . . . . . . . . 5297 1 35 3JHNHA . 1 1 43 43 ILE H H 1 . . 1 1 43 43 ILE HA H 1 . 9.25 . . 1.0 . . . . . . . . . . . 5297 1 36 3JHNHA . 1 1 44 44 CYS H H 1 . . 1 1 44 44 CYS HA H 1 . 8.93 . . 1.0 . . . . . . . . . . . 5297 1 37 3JHNHA . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG HA H 1 . 9.96 . . 1.0 . . . . . . . . . . . 5297 1 38 3JHNHA . 1 1 46 46 GLU H H 1 . . 1 1 46 46 GLU HA H 1 . 9.02 . . 1.0 . . . . . . . . . . . 5297 1 39 3JHNHA . 1 1 47 47 LEU H H 1 . . 1 1 47 47 LEU HA H 1 . 8.22 . . 1.0 . . . . . . . . . . . 5297 1 40 3JHNHA . 1 1 48 48 HIS H H 1 . . 1 1 48 48 HIS HA H 1 . 8.26 . . 1.0 . . . . . . . . . . . 5297 1 41 3JHNHA . 1 1 50 50 ASN H H 1 . . 1 1 50 50 ASN HA H 1 . 7.47 . . 1.0 . . . . . . . . . . . 5297 1 42 3JHNHA . 1 1 54 54 HIS H H 1 . . 1 1 54 54 HIS HA H 1 . 9.60 . . 1.0 . . . . . . . . . . . 5297 1 43 3JHNHA . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU HA H 1 . 8.04 . . 2.0 . . . . . . . . . . . 5297 1 44 3JHNHA . 1 1 56 56 HIS H H 1 . . 1 1 56 56 HIS HA H 1 . 9.56 . . 1.0 . . . . . . . . . . . 5297 1 45 3JHNHA . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE HA H 1 . 8.63 . . 1.0 . . . . . . . . . . . 5297 1 46 3JHNHA . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU HA H 1 . 9.13 . . 1.0 . . . . . . . . . . . 5297 1 47 3JHNHA . 1 1 59 59 ILE H H 1 . . 1 1 59 59 ILE HA H 1 . 9.66 . . 1.0 . . . . . . . . . . . 5297 1 48 3JHNHA . 1 1 60 60 GLN H H 1 . . 1 1 60 60 GLN HA H 1 . 8.71 . . 1.0 . . . . . . . . . . . 5297 1 49 3JHNHA . 1 1 61 61 PHE H H 1 . . 1 1 61 61 PHE HA H 1 . 9.13 . . 2.0 . . . . . . . . . . . 5297 1 50 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 4.82 . . 1.0 . . . . . . . . . . . 5297 1 51 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 5.25 . . 1.0 . . . . . . . . . . . 5297 1 52 3JHNHA . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR HA H 1 . 8.94 . . 1.0 . . . . . . . . . . . 5297 1 53 3JHNHA . 1 1 68 68 THR H H 1 . . 1 1 68 68 THR HA H 1 . 10.20 . . 2.0 . . . . . . . . . . . 5297 1 54 3JHNHA . 1 1 71 71 ARG H H 1 . . 1 1 71 71 ARG HA H 1 . 9.46 . . 1.0 . . . . . . . . . . . 5297 1 55 3JHNHA . 1 1 73 73 PHE H H 1 . . 1 1 73 73 PHE HA H 1 . 10.97 . . 3.0 . . . . . . . . . . . 5297 1 56 3JHNHA . 1 1 74 74 ASP H H 1 . . 1 1 74 74 ASP HA H 1 . 3.54 . . 2.0 . . . . . . . . . . . 5297 1 57 3JHNHA . 1 1 75 75 LEU H H 1 . . 1 1 75 75 LEU HA H 1 . 9.80 . . 1.0 . . . . . . . . . . . 5297 1 58 3JHNHA . 1 1 76 76 VAL H H 1 . . 1 1 76 76 VAL HA H 1 . 9.00 . . 1.0 . . . . . . . . . . . 5297 1 59 3JHNHA . 1 1 77 77 SER H H 1 . . 1 1 77 77 SER HA H 1 . 6.98 . . 1.0 . . . . . . . . . . . 5297 1 60 3JHNHA . 1 1 84 84 PHE H H 1 . . 1 1 84 84 PHE HA H 1 . 8.66 . . 2.0 . . . . . . . . . . . 5297 1 61 3JHNHA . 1 1 85 85 HIS H H 1 . . 1 1 85 85 HIS HA H 1 . 9.00 . . 1.0 . . . . . . . . . . . 5297 1 62 3JHNHA . 1 1 87 87 ASN H H 1 . . 1 1 87 87 ASN HA H 1 . 9.70 . . 2.0 . . . . . . . . . . . 5297 1 63 3JHNHA . 1 1 88 88 ILE H H 1 . . 1 1 88 88 ILE HA H 1 . 9.54 . . 2.0 . . . . . . . . . . . 5297 1 64 3JHNHA . 1 1 89 89 GLN H H 1 . . 1 1 89 89 GLN HA H 1 . 9.31 . . 1.0 . . . . . . . . . . . 5297 1 65 3JHNHA . 1 1 91 91 ALA H H 1 . . 1 1 91 91 ALA HA H 1 . 5.38 . . 2.5 . . . . . . . . . . . 5297 1 66 3JHNHA . 1 1 97 97 VAL H H 1 . . 1 1 97 97 VAL HA H 1 . 6.96 . . 1.5 . . . . . . . . . . . 5297 1 67 3JHNHA . 1 1 98 98 LYS H H 1 . . 1 1 98 98 LYS HA H 1 . 4.82 . . 1.0 . . . . . . . . . . . 5297 1 68 3JHNHA . 1 1 99 99 SER H H 1 . . 1 1 99 99 SER HA H 1 . 4.49 . . 2.0 . . . . . . . . . . . 5297 1 69 3JHNHA . 1 1 100 100 TYR H H 1 . . 1 1 100 100 TYR HA H 1 . 6.49 . . 2.0 . . . . . . . . . . . 5297 1 70 3JHNHA . 1 1 101 101 ILE H H 1 . . 1 1 101 101 ILE HA H 1 . 5.43 . . 1.0 . . . . . . . . . . . 5297 1 71 3JHNHA . 1 1 102 102 ASP H H 1 . . 1 1 102 102 ASP HA H 1 . 5.89 . . 1.0 . . . . . . . . . . . 5297 1 72 3JHNHA . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS HA H 1 . 4.52 . . 2.0 . . . . . . . . . . . 5297 1 73 3JHNHA . 1 1 104 104 ASP H H 1 . . 1 1 104 104 ASP HA H 1 . 9.16 . . 2.0 . . . . . . . . . . . 5297 1 74 3JHNHA . 1 1 106 106 ASP H H 1 . . 1 1 106 106 ASP HA H 1 . 8.57 . . 2.0 . . . . . . . . . . . 5297 1 75 3JHNHA . 1 1 107 107 VAL H H 1 . . 1 1 107 107 VAL HA H 1 . 10.92 . . 2.0 . . . . . . . . . . . 5297 1 76 3JHNHA . 1 1 108 108 LEU H H 1 . . 1 1 108 108 LEU HA H 1 . 8.60 . . 1.0 . . . . . . . . . . . 5297 1 77 3JHNHA . 1 1 109 109 GLU H H 1 . . 1 1 109 109 GLU HA H 1 . 9.09 . . 1.0 . . . . . . . . . . . 5297 1 78 3JHNHA . 1 1 110 110 TRP H H 1 . . 1 1 110 110 TRP HA H 1 . 8.75 . . 1.0 . . . . . . . . . . . 5297 1 79 3JHNHA . 1 1 112 112 THR H H 1 . . 1 1 112 112 THR HA H 1 . 9.35 . . 1.0 . . . . . . . . . . . 5297 1 80 3JHNHA . 1 1 113 113 PHE H H 1 . . 1 1 113 113 PHE HA H 1 . 4.40 . . 2.5 . . . . . . . . . . . 5297 1 81 3JHNHA . 1 1 114 114 GLN H H 1 . . 1 1 114 114 GLN HA H 1 . 8.95 . . 1.0 . . . . . . . . . . . 5297 1 82 3JHNHA . 1 1 115 115 ILE H H 1 . . 1 1 115 115 ILE HA H 1 . 8.13 . . 1.0 . . . . . . . . . . . 5297 1 83 3JHNHA . 1 1 116 116 ASP H H 1 . . 1 1 116 116 ASP HA H 1 . 6.58 . . 1.0 . . . . . . . . . . . 5297 1 84 3JHNHA . 1 1 118 118 ARG H H 1 . . 1 1 118 118 ARG HA H 1 . 7.91 . . 1.0 . . . . . . . . . . . 5297 1 stop_ save_