data_1379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1379 _Entry.Title ; A two-dimensional 1H-NMR study on Megasphaera elsdenii flavodoxin in the oxidized state and some comparisons with the two-electron-reduced state ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Carlo 'van Mierlo' . P.M. . 1379 2 Boudewijn 'van der Sanden' . P.J. . 1379 3 Peter 'van Woensel' . . . 1379 4 Franz Muller . . . 1379 5 Jacques Vervoort . . . 1379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 842 1379 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 4 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1379 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1379 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1379 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1379 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1379 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; van Mierlo, Carlo P.M., van der Sanden, Boudewijn P. J., van Woensel, Peter, Muller, Franz, Vervoort, Jacques, "A two-dimensional 1H-NMR study on Megasphaera elsdenii flavodoxin in the oxidized state and some comparisons with the two-electron-reduced state," Eur. J. Biochem. 194, 199-216 (1990). ; _Citation.Title ; A two-dimensional 1H-NMR study on Megasphaera elsdenii flavodoxin in the oxidized state and some comparisons with the two-electron-reduced state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 194 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 199 _Citation.Page_last 216 _Citation.Year 1990 _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 Carlo 'van Mierlo' . P.M. . 1379 1 2 Boudewijn 'van der Sanden' . P.J. . 1379 1 3 Peter 'van Woensel' . . . 1379 1 4 Franz Muller . . . 1379 1 5 Jacques Vervoort . . . 1379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_flavodoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_flavodoxin _Assembly.Entry_ID 1379 _Assembly.ID 1 _Assembly.Name flavodoxin _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 flavodoxin 1 $flavodoxin . . . . . . . . . 1379 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID flavodoxin system 1379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode flavodoxin _Entity.Entry_ID 1379 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name flavodoxin _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 ; MVEIVYWSGTGNTEAMANEI EAAVKAAGADVESVRFEDTN VDDVASKDVILLGCPAMGSE ELEDSVVEPFFTDLAPKLKG KKVGLFGSYGWGSGEWMDAW KQRTEDTGATVIGTAIVNEM PDNAPECKELGEAAAKA ; _Entity.Polymer_seq_one_letter_code ; MVEIVYWSGTGNTEAMANEI EAAVKAAGADVESVRFEDTN VDDVASKDVILLGCPAMGSE ELEDSVVEPFFTDLAPKLKG KKVGLFGSYGWGSGEWMDAW KQRTEDTGATVIGTAIVNEM PDNAPECKELGEAAAKA ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-18 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 1516 . flavodoxin . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 2 no BMRB 376 . flavodoxin . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 3 no PDB 2FZ5 . "Solution Structure Of Two-electron Reduced Megasphaera Elsdenii Flavodoxin" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 4 no EMBL CCC72557 . "flavodoxin [Megasphaera elsdenii DSM 20460]" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 5 no EMBL CDF04735 . "flavodoxin [Megasphaera elsdenii CAG:570]" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 6 no GB ALG41429 . "flavodoxin [Megasphaera elsdenii 14-14]" . . . . . 100.00 137 97.81 97.81 1.46e-89 . . . . 1379 1 7 no GB EPP17810 . "flavodoxin [Megasphaera sp. BL7]" . . . . . 100.00 137 98.54 98.54 4.03e-90 . . . . 1379 1 8 no GB EPP18060 . "flavodoxin [Megasphaera sp. NM10]" . . . . . 100.00 137 98.54 98.54 4.03e-90 . . . . 1379 1 9 no GB KGI90126 . "flavodoxin [Megasphaera elsdenii]" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 10 no REF WP_014015302 . "flavodoxin [Megasphaera elsdenii]" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 11 no REF WP_020310631 . "MULTISPECIES: flavodoxin [Megasphaera]" . . . . . 100.00 137 98.54 98.54 4.03e-90 . . . . 1379 1 12 no REF WP_054335971 . "flavodoxin [Megasphaera elsdenii]" . . . . . 100.00 137 97.81 97.81 1.46e-89 . . . . 1379 1 13 no SP P00321 . "RecName: Full=Flavodoxin" . . . . . 100.00 137 100.00 100.00 7.72e-92 . . . . 1379 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID flavodoxin common 1379 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 1379 1 2 . VAL . 1379 1 3 . GLU . 1379 1 4 . ILE . 1379 1 5 . VAL . 1379 1 6 . TYR . 1379 1 7 . TRP . 1379 1 8 . SER . 1379 1 9 . GLY . 1379 1 10 . THR . 1379 1 11 . GLY . 1379 1 12 . ASN . 1379 1 13 . THR . 1379 1 14 . GLU . 1379 1 15 . ALA . 1379 1 16 . MET . 1379 1 17 . ALA . 1379 1 18 . ASN . 1379 1 19 . GLU . 1379 1 20 . ILE . 1379 1 21 . GLU . 1379 1 22 . ALA . 1379 1 23 . ALA . 1379 1 24 . VAL . 1379 1 25 . LYS . 1379 1 26 . ALA . 1379 1 27 . ALA . 1379 1 28 . GLY . 1379 1 29 . ALA . 1379 1 30 . ASP . 1379 1 31 . VAL . 1379 1 32 . GLU . 1379 1 33 . SER . 1379 1 34 . VAL . 1379 1 35 . ARG . 1379 1 36 . PHE . 1379 1 37 . GLU . 1379 1 38 . ASP . 1379 1 39 . THR . 1379 1 40 . ASN . 1379 1 41 . VAL . 1379 1 42 . ASP . 1379 1 43 . ASP . 1379 1 44 . VAL . 1379 1 45 . ALA . 1379 1 46 . SER . 1379 1 47 . LYS . 1379 1 48 . ASP . 1379 1 49 . VAL . 1379 1 50 . ILE . 1379 1 51 . LEU . 1379 1 52 . LEU . 1379 1 53 . GLY . 1379 1 54 . CYS . 1379 1 55 . PRO . 1379 1 56 . ALA . 1379 1 57 . MET . 1379 1 58 . GLY . 1379 1 59 . SER . 1379 1 60 . GLU . 1379 1 61 . GLU . 1379 1 62 . LEU . 1379 1 63 . GLU . 1379 1 64 . ASP . 1379 1 65 . SER . 1379 1 66 . VAL . 1379 1 67 . VAL . 1379 1 68 . GLU . 1379 1 69 . PRO . 1379 1 70 . PHE . 1379 1 71 . PHE . 1379 1 72 . THR . 1379 1 73 . ASP . 1379 1 74 . LEU . 1379 1 75 . ALA . 1379 1 76 . PRO . 1379 1 77 . LYS . 1379 1 78 . LEU . 1379 1 79 . LYS . 1379 1 80 . GLY . 1379 1 81 . LYS . 1379 1 82 . LYS . 1379 1 83 . VAL . 1379 1 84 . GLY . 1379 1 85 . LEU . 1379 1 86 . PHE . 1379 1 87 . GLY . 1379 1 88 . SER . 1379 1 89 . TYR . 1379 1 90 . GLY . 1379 1 91 . TRP . 1379 1 92 . GLY . 1379 1 93 . SER . 1379 1 94 . GLY . 1379 1 95 . GLU . 1379 1 96 . TRP . 1379 1 97 . MET . 1379 1 98 . ASP . 1379 1 99 . ALA . 1379 1 100 . TRP . 1379 1 101 . LYS . 1379 1 102 . GLN . 1379 1 103 . ARG . 1379 1 104 . THR . 1379 1 105 . GLU . 1379 1 106 . ASP . 1379 1 107 . THR . 1379 1 108 . GLY . 1379 1 109 . ALA . 1379 1 110 . THR . 1379 1 111 . VAL . 1379 1 112 . ILE . 1379 1 113 . GLY . 1379 1 114 . THR . 1379 1 115 . ALA . 1379 1 116 . ILE . 1379 1 117 . VAL . 1379 1 118 . ASN . 1379 1 119 . GLU . 1379 1 120 . MET . 1379 1 121 . PRO . 1379 1 122 . ASP . 1379 1 123 . ASN . 1379 1 124 . ALA . 1379 1 125 . PRO . 1379 1 126 . GLU . 1379 1 127 . CYS . 1379 1 128 . LYS . 1379 1 129 . GLU . 1379 1 130 . LEU . 1379 1 131 . GLY . 1379 1 132 . GLU . 1379 1 133 . ALA . 1379 1 134 . ALA . 1379 1 135 . ALA . 1379 1 136 . LYS . 1379 1 137 . ALA . 1379 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 1379 1 . VAL 2 2 1379 1 . GLU 3 3 1379 1 . ILE 4 4 1379 1 . VAL 5 5 1379 1 . TYR 6 6 1379 1 . TRP 7 7 1379 1 . SER 8 8 1379 1 . GLY 9 9 1379 1 . THR 10 10 1379 1 . GLY 11 11 1379 1 . ASN 12 12 1379 1 . THR 13 13 1379 1 . GLU 14 14 1379 1 . ALA 15 15 1379 1 . MET 16 16 1379 1 . ALA 17 17 1379 1 . ASN 18 18 1379 1 . GLU 19 19 1379 1 . ILE 20 20 1379 1 . GLU 21 21 1379 1 . ALA 22 22 1379 1 . ALA 23 23 1379 1 . VAL 24 24 1379 1 . LYS 25 25 1379 1 . ALA 26 26 1379 1 . ALA 27 27 1379 1 . GLY 28 28 1379 1 . ALA 29 29 1379 1 . ASP 30 30 1379 1 . VAL 31 31 1379 1 . GLU 32 32 1379 1 . SER 33 33 1379 1 . VAL 34 34 1379 1 . ARG 35 35 1379 1 . PHE 36 36 1379 1 . GLU 37 37 1379 1 . ASP 38 38 1379 1 . THR 39 39 1379 1 . ASN 40 40 1379 1 . VAL 41 41 1379 1 . ASP 42 42 1379 1 . ASP 43 43 1379 1 . VAL 44 44 1379 1 . ALA 45 45 1379 1 . SER 46 46 1379 1 . LYS 47 47 1379 1 . ASP 48 48 1379 1 . VAL 49 49 1379 1 . ILE 50 50 1379 1 . LEU 51 51 1379 1 . LEU 52 52 1379 1 . GLY 53 53 1379 1 . CYS 54 54 1379 1 . PRO 55 55 1379 1 . ALA 56 56 1379 1 . MET 57 57 1379 1 . GLY 58 58 1379 1 . SER 59 59 1379 1 . GLU 60 60 1379 1 . GLU 61 61 1379 1 . LEU 62 62 1379 1 . GLU 63 63 1379 1 . ASP 64 64 1379 1 . SER 65 65 1379 1 . VAL 66 66 1379 1 . VAL 67 67 1379 1 . GLU 68 68 1379 1 . PRO 69 69 1379 1 . PHE 70 70 1379 1 . PHE 71 71 1379 1 . THR 72 72 1379 1 . ASP 73 73 1379 1 . LEU 74 74 1379 1 . ALA 75 75 1379 1 . PRO 76 76 1379 1 . LYS 77 77 1379 1 . LEU 78 78 1379 1 . LYS 79 79 1379 1 . GLY 80 80 1379 1 . LYS 81 81 1379 1 . LYS 82 82 1379 1 . VAL 83 83 1379 1 . GLY 84 84 1379 1 . LEU 85 85 1379 1 . PHE 86 86 1379 1 . GLY 87 87 1379 1 . SER 88 88 1379 1 . TYR 89 89 1379 1 . GLY 90 90 1379 1 . TRP 91 91 1379 1 . GLY 92 92 1379 1 . SER 93 93 1379 1 . GLY 94 94 1379 1 . GLU 95 95 1379 1 . TRP 96 96 1379 1 . MET 97 97 1379 1 . ASP 98 98 1379 1 . ALA 99 99 1379 1 . TRP 100 100 1379 1 . LYS 101 101 1379 1 . GLN 102 102 1379 1 . ARG 103 103 1379 1 . THR 104 104 1379 1 . GLU 105 105 1379 1 . ASP 106 106 1379 1 . THR 107 107 1379 1 . GLY 108 108 1379 1 . ALA 109 109 1379 1 . THR 110 110 1379 1 . VAL 111 111 1379 1 . ILE 112 112 1379 1 . GLY 113 113 1379 1 . THR 114 114 1379 1 . ALA 115 115 1379 1 . ILE 116 116 1379 1 . VAL 117 117 1379 1 . ASN 118 118 1379 1 . GLU 119 119 1379 1 . MET 120 120 1379 1 . PRO 121 121 1379 1 . ASP 122 122 1379 1 . ASN 123 123 1379 1 . ALA 124 124 1379 1 . PRO 125 125 1379 1 . GLU 126 126 1379 1 . CYS 127 127 1379 1 . LYS 128 128 1379 1 . GLU 129 129 1379 1 . LEU 130 130 1379 1 . GLY 131 131 1379 1 . GLU 132 132 1379 1 . ALA 133 133 1379 1 . ALA 134 134 1379 1 . ALA 135 135 1379 1 . LYS 136 136 1379 1 . ALA 137 137 1379 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 1379 _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 $flavodoxin . 907 organism . 'Megasphaera elsdenii' . . . Bacteria . Megasphaera elsdenii . . . . . . . . . . . . . . . . . . . . . 1379 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 1379 _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 $flavodoxin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1379 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1379 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1379 _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 7 . na 1379 1 temperature 314 . K 1379 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1379 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1379 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 1379 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1379 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1379 _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 . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1379 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1379 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1379 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 MET HA H 1 4 . . 1 . . . . . . . . 1379 1 2 . 1 1 1 1 MET HB2 H 1 2.07 . . 2 . . . . . . . . 1379 1 3 . 1 1 1 1 MET HB3 H 1 2.17 . . 2 . . . . . . . . 1379 1 4 . 1 1 1 1 MET HG2 H 1 2.53 . . 1 . . . . . . . . 1379 1 5 . 1 1 1 1 MET HG3 H 1 2.53 . . 1 . . . . . . . . 1379 1 6 . 1 1 2 2 VAL H H 1 8.56 . . 1 . . . . . . . . 1379 1 7 . 1 1 2 2 VAL HA H 1 4.49 . . 1 . . . . . . . . 1379 1 8 . 1 1 2 2 VAL HB H 1 2.04 . . 1 . . . . . . . . 1379 1 9 . 1 1 2 2 VAL HG11 H 1 .7 . . 2 . . . . . . . . 1379 1 10 . 1 1 2 2 VAL HG12 H 1 .7 . . 2 . . . . . . . . 1379 1 11 . 1 1 2 2 VAL HG13 H 1 .7 . . 2 . . . . . . . . 1379 1 12 . 1 1 2 2 VAL HG21 H 1 .79 . . 2 . . . . . . . . 1379 1 13 . 1 1 2 2 VAL HG22 H 1 .79 . . 2 . . . . . . . . 1379 1 14 . 1 1 2 2 VAL HG23 H 1 .79 . . 2 . . . . . . . . 1379 1 15 . 1 1 3 3 GLU H H 1 8.93 . . 1 . . . . . . . . 1379 1 16 . 1 1 3 3 GLU HA H 1 5.11 . . 1 . . . . . . . . 1379 1 17 . 1 1 3 3 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 1379 1 18 . 1 1 3 3 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 1379 1 19 . 1 1 4 4 ILE H H 1 9.19 . . 1 . . . . . . . . 1379 1 20 . 1 1 4 4 ILE HA H 1 4.99 . . 1 . . . . . . . . 1379 1 21 . 1 1 4 4 ILE HB H 1 2.07 . . 1 . . . . . . . . 1379 1 22 . 1 1 4 4 ILE HG12 H 1 1.59 . . 1 . . . . . . . . 1379 1 23 . 1 1 4 4 ILE HG13 H 1 1.59 . . 1 . . . . . . . . 1379 1 24 . 1 1 4 4 ILE HG21 H 1 1 . . 1 . . . . . . . . 1379 1 25 . 1 1 4 4 ILE HG22 H 1 1 . . 1 . . . . . . . . 1379 1 26 . 1 1 4 4 ILE HG23 H 1 1 . . 1 . . . . . . . . 1379 1 27 . 1 1 4 4 ILE HD11 H 1 .7 . . 1 . . . . . . . . 1379 1 28 . 1 1 4 4 ILE HD12 H 1 .7 . . 1 . . . . . . . . 1379 1 29 . 1 1 4 4 ILE HD13 H 1 .7 . . 1 . . . . . . . . 1379 1 30 . 1 1 5 5 VAL H H 1 9.23 . . 1 . . . . . . . . 1379 1 31 . 1 1 5 5 VAL HA H 1 5.39 . . 1 . . . . . . . . 1379 1 32 . 1 1 5 5 VAL HB H 1 1.45 . . 1 . . . . . . . . 1379 1 33 . 1 1 5 5 VAL HG11 H 1 .32 . . 2 . . . . . . . . 1379 1 34 . 1 1 5 5 VAL HG12 H 1 .32 . . 2 . . . . . . . . 1379 1 35 . 1 1 5 5 VAL HG13 H 1 .32 . . 2 . . . . . . . . 1379 1 36 . 1 1 5 5 VAL HG21 H 1 .57 . . 2 . . . . . . . . 1379 1 37 . 1 1 5 5 VAL HG22 H 1 .57 . . 2 . . . . . . . . 1379 1 38 . 1 1 5 5 VAL HG23 H 1 .57 . . 2 . . . . . . . . 1379 1 39 . 1 1 6 6 TYR H H 1 7.91 . . 1 . . . . . . . . 1379 1 40 . 1 1 6 6 TYR HA H 1 6.05 . . 1 . . . . . . . . 1379 1 41 . 1 1 6 6 TYR HB2 H 1 2.68 . . 2 . . . . . . . . 1379 1 42 . 1 1 6 6 TYR HB3 H 1 2.74 . . 2 . . . . . . . . 1379 1 43 . 1 1 6 6 TYR HD1 H 1 6.56 . . 1 . . . . . . . . 1379 1 44 . 1 1 6 6 TYR HD2 H 1 6.56 . . 1 . . . . . . . . 1379 1 45 . 1 1 6 6 TYR HE1 H 1 6.51 . . 1 . . . . . . . . 1379 1 46 . 1 1 6 6 TYR HE2 H 1 6.51 . . 1 . . . . . . . . 1379 1 47 . 1 1 7 7 TRP H H 1 8.33 . . 1 . . . . . . . . 1379 1 48 . 1 1 7 7 TRP HA H 1 4.45 . . 1 . . . . . . . . 1379 1 49 . 1 1 7 7 TRP HB2 H 1 3.18 . . 2 . . . . . . . . 1379 1 50 . 1 1 7 7 TRP HB3 H 1 3.19 . . 2 . . . . . . . . 1379 1 51 . 1 1 7 7 TRP HD1 H 1 7.49 . . 1 . . . . . . . . 1379 1 52 . 1 1 7 7 TRP HE1 H 1 9.93 . . 1 . . . . . . . . 1379 1 53 . 1 1 7 7 TRP HE3 H 1 7.27 . . 1 . . . . . . . . 1379 1 54 . 1 1 7 7 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 1379 1 55 . 1 1 7 7 TRP HZ3 H 1 6.95 . . 1 . . . . . . . . 1379 1 56 . 1 1 7 7 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 1379 1 57 . 1 1 8 8 SER H H 1 5.9 . . 1 . . . . . . . . 1379 1 58 . 1 1 8 8 SER HA H 1 4.34 . . 1 . . . . . . . . 1379 1 59 . 1 1 8 8 SER HB2 H 1 3.43 . . 2 . . . . . . . . 1379 1 60 . 1 1 8 8 SER HB3 H 1 3.54 . . 2 . . . . . . . . 1379 1 61 . 1 1 8 8 SER HG H 1 7.93 . . 1 . . . . . . . . 1379 1 62 . 1 1 9 9 GLY H H 1 10.37 . . 1 . . . . . . . . 1379 1 63 . 1 1 9 9 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 1379 1 64 . 1 1 9 9 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 1379 1 65 . 1 1 10 10 THR H H 1 9.27 . . 1 . . . . . . . . 1379 1 66 . 1 1 10 10 THR HA H 1 4.71 . . 1 . . . . . . . . 1379 1 67 . 1 1 10 10 THR HB H 1 4.57 . . 1 . . . . . . . . 1379 1 68 . 1 1 10 10 THR HG21 H 1 1.23 . . 1 . . . . . . . . 1379 1 69 . 1 1 10 10 THR HG22 H 1 1.23 . . 1 . . . . . . . . 1379 1 70 . 1 1 10 10 THR HG23 H 1 1.23 . . 1 . . . . . . . . 1379 1 71 . 1 1 11 11 GLY H H 1 7.55 . . 1 . . . . . . . . 1379 1 72 . 1 1 11 11 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 1379 1 73 . 1 1 11 11 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 1379 1 74 . 1 1 12 12 ASN H H 1 11.39 . . 1 . . . . . . . . 1379 1 75 . 1 1 12 12 ASN HA H 1 4.64 . . 1 . . . . . . . . 1379 1 76 . 1 1 12 12 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 1379 1 77 . 1 1 12 12 ASN HB3 H 1 3.23 . . 2 . . . . . . . . 1379 1 78 . 1 1 12 12 ASN HD21 H 1 6.43 . . 1 . . . . . . . . 1379 1 79 . 1 1 12 12 ASN HD22 H 1 8.12 . . 1 . . . . . . . . 1379 1 80 . 1 1 13 13 THR H H 1 11.3 . . 1 . . . . . . . . 1379 1 81 . 1 1 13 13 THR HA H 1 3.82 . . 1 . . . . . . . . 1379 1 82 . 1 1 13 13 THR HB H 1 4.4 . . 1 . . . . . . . . 1379 1 83 . 1 1 13 13 THR HG1 H 1 6.21 . . 1 . . . . . . . . 1379 1 84 . 1 1 13 13 THR HG21 H 1 1.39 . . 1 . . . . . . . . 1379 1 85 . 1 1 13 13 THR HG22 H 1 1.39 . . 1 . . . . . . . . 1379 1 86 . 1 1 13 13 THR HG23 H 1 1.39 . . 1 . . . . . . . . 1379 1 87 . 1 1 14 14 GLU H H 1 7.2 . . 1 . . . . . . . . 1379 1 88 . 1 1 14 14 GLU HA H 1 3.25 . . 1 . . . . . . . . 1379 1 89 . 1 1 15 15 ALA H H 1 7.96 . . 1 . . . . . . . . 1379 1 90 . 1 1 15 15 ALA HA H 1 4.14 . . 1 . . . . . . . . 1379 1 91 . 1 1 15 15 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 1379 1 92 . 1 1 15 15 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 1379 1 93 . 1 1 15 15 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 1379 1 94 . 1 1 16 16 MET H H 1 7.99 . . 1 . . . . . . . . 1379 1 95 . 1 1 16 16 MET HA H 1 3.77 . . 1 . . . . . . . . 1379 1 96 . 1 1 16 16 MET HB2 H 1 2.57 . . 1 . . . . . . . . 1379 1 97 . 1 1 16 16 MET HB3 H 1 2.57 . . 1 . . . . . . . . 1379 1 98 . 1 1 16 16 MET HG2 H 1 3.02 . . 1 . . . . . . . . 1379 1 99 . 1 1 16 16 MET HG3 H 1 3.02 . . 1 . . . . . . . . 1379 1 100 . 1 1 16 16 MET HE1 H 1 2.13 . . 1 . . . . . . . . 1379 1 101 . 1 1 16 16 MET HE2 H 1 2.13 . . 1 . . . . . . . . 1379 1 102 . 1 1 16 16 MET HE3 H 1 2.13 . . 1 . . . . . . . . 1379 1 103 . 1 1 17 17 ALA H H 1 8.21 . . 1 . . . . . . . . 1379 1 104 . 1 1 17 17 ALA HA H 1 3.27 . . 1 . . . . . . . . 1379 1 105 . 1 1 17 17 ALA HB1 H 1 .91 . . 1 . . . . . . . . 1379 1 106 . 1 1 17 17 ALA HB2 H 1 .91 . . 1 . . . . . . . . 1379 1 107 . 1 1 17 17 ALA HB3 H 1 .91 . . 1 . . . . . . . . 1379 1 108 . 1 1 18 18 ASN H H 1 7.84 . . 1 . . . . . . . . 1379 1 109 . 1 1 18 18 ASN HA H 1 4.33 . . 1 . . . . . . . . 1379 1 110 . 1 1 18 18 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 1379 1 111 . 1 1 18 18 ASN HB3 H 1 2.92 . . 2 . . . . . . . . 1379 1 112 . 1 1 19 19 GLU H H 1 8.03 . . 1 . . . . . . . . 1379 1 113 . 1 1 19 19 GLU HA H 1 3.97 . . 1 . . . . . . . . 1379 1 114 . 1 1 19 19 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 1379 1 115 . 1 1 19 19 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 1379 1 116 . 1 1 20 20 ILE H H 1 8.81 . . 1 . . . . . . . . 1379 1 117 . 1 1 20 20 ILE HA H 1 3.31 . . 1 . . . . . . . . 1379 1 118 . 1 1 20 20 ILE HB H 1 1.28 . . 1 . . . . . . . . 1379 1 119 . 1 1 20 20 ILE HG12 H 1 .72 . . 2 . . . . . . . . 1379 1 120 . 1 1 20 20 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 1379 1 121 . 1 1 20 20 ILE HG21 H 1 .37 . . 1 . . . . . . . . 1379 1 122 . 1 1 20 20 ILE HG22 H 1 .37 . . 1 . . . . . . . . 1379 1 123 . 1 1 20 20 ILE HG23 H 1 .37 . . 1 . . . . . . . . 1379 1 124 . 1 1 20 20 ILE HD11 H 1 -.44 . . 1 . . . . . . . . 1379 1 125 . 1 1 20 20 ILE HD12 H 1 -.44 . . 1 . . . . . . . . 1379 1 126 . 1 1 20 20 ILE HD13 H 1 -.44 . . 1 . . . . . . . . 1379 1 127 . 1 1 21 21 GLU H H 1 8.72 . . 1 . . . . . . . . 1379 1 128 . 1 1 21 21 GLU HA H 1 3.43 . . 1 . . . . . . . . 1379 1 129 . 1 1 21 21 GLU HB2 H 1 2 . . 2 . . . . . . . . 1379 1 130 . 1 1 21 21 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 1379 1 131 . 1 1 22 22 ALA H H 1 7.7 . . 1 . . . . . . . . 1379 1 132 . 1 1 22 22 ALA HA H 1 3.98 . . 1 . . . . . . . . 1379 1 133 . 1 1 22 22 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 1379 1 134 . 1 1 22 22 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 1379 1 135 . 1 1 22 22 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 1379 1 136 . 1 1 23 23 ALA H H 1 7.55 . . 1 . . . . . . . . 1379 1 137 . 1 1 23 23 ALA HA H 1 4.16 . . 1 . . . . . . . . 1379 1 138 . 1 1 23 23 ALA HB1 H 1 1.59 . . 1 . . . . . . . . 1379 1 139 . 1 1 23 23 ALA HB2 H 1 1.59 . . 1 . . . . . . . . 1379 1 140 . 1 1 23 23 ALA HB3 H 1 1.59 . . 1 . . . . . . . . 1379 1 141 . 1 1 24 24 VAL H H 1 8.41 . . 1 . . . . . . . . 1379 1 142 . 1 1 24 24 VAL HA H 1 3.37 . . 1 . . . . . . . . 1379 1 143 . 1 1 24 24 VAL HB H 1 2.11 . . 1 . . . . . . . . 1379 1 144 . 1 1 24 24 VAL HG11 H 1 .77 . . 2 . . . . . . . . 1379 1 145 . 1 1 24 24 VAL HG12 H 1 .77 . . 2 . . . . . . . . 1379 1 146 . 1 1 24 24 VAL HG13 H 1 .77 . . 2 . . . . . . . . 1379 1 147 . 1 1 24 24 VAL HG21 H 1 1.08 . . 2 . . . . . . . . 1379 1 148 . 1 1 24 24 VAL HG22 H 1 1.08 . . 2 . . . . . . . . 1379 1 149 . 1 1 24 24 VAL HG23 H 1 1.08 . . 2 . . . . . . . . 1379 1 150 . 1 1 25 25 LYS H H 1 8.23 . . 1 . . . . . . . . 1379 1 151 . 1 1 25 25 LYS HA H 1 4.26 . . 1 . . . . . . . . 1379 1 152 . 1 1 25 25 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 1379 1 153 . 1 1 25 25 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 1379 1 154 . 1 1 25 25 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 1379 1 155 . 1 1 25 25 LYS HD3 H 1 1.73 . . 2 . . . . . . . . 1379 1 156 . 1 1 25 25 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 1379 1 157 . 1 1 25 25 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 1379 1 158 . 1 1 26 26 ALA H H 1 8.15 . . 1 . . . . . . . . 1379 1 159 . 1 1 26 26 ALA HA H 1 4.13 . . 1 . . . . . . . . 1379 1 160 . 1 1 26 26 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 1379 1 161 . 1 1 26 26 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 1379 1 162 . 1 1 26 26 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 1379 1 163 . 1 1 27 27 ALA H H 1 7.39 . . 1 . . . . . . . . 1379 1 164 . 1 1 27 27 ALA HA H 1 4.38 . . 1 . . . . . . . . 1379 1 165 . 1 1 27 27 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 1379 1 166 . 1 1 27 27 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 1379 1 167 . 1 1 27 27 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 1379 1 168 . 1 1 28 28 GLY H H 1 7.83 . . 1 . . . . . . . . 1379 1 169 . 1 1 28 28 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 1379 1 170 . 1 1 28 28 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 1379 1 171 . 1 1 29 29 ALA H H 1 7.3 . . 1 . . . . . . . . 1379 1 172 . 1 1 29 29 ALA HA H 1 4.77 . . 1 . . . . . . . . 1379 1 173 . 1 1 29 29 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 1379 1 174 . 1 1 29 29 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 1379 1 175 . 1 1 29 29 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 1379 1 176 . 1 1 30 30 ASP H H 1 8.22 . . 1 . . . . . . . . 1379 1 177 . 1 1 30 30 ASP HA H 1 4.77 . . 1 . . . . . . . . 1379 1 178 . 1 1 30 30 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 1379 1 179 . 1 1 30 30 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 1379 1 180 . 1 1 31 31 VAL H H 1 8.24 . . 1 . . . . . . . . 1379 1 181 . 1 1 31 31 VAL HA H 1 5.63 . . 1 . . . . . . . . 1379 1 182 . 1 1 31 31 VAL HB H 1 2.03 . . 1 . . . . . . . . 1379 1 183 . 1 1 31 31 VAL HG11 H 1 .87 . . 2 . . . . . . . . 1379 1 184 . 1 1 31 31 VAL HG12 H 1 .87 . . 2 . . . . . . . . 1379 1 185 . 1 1 31 31 VAL HG13 H 1 .87 . . 2 . . . . . . . . 1379 1 186 . 1 1 31 31 VAL HG21 H 1 .95 . . 2 . . . . . . . . 1379 1 187 . 1 1 31 31 VAL HG22 H 1 .95 . . 2 . . . . . . . . 1379 1 188 . 1 1 31 31 VAL HG23 H 1 .95 . . 2 . . . . . . . . 1379 1 189 . 1 1 32 32 GLU H H 1 8.19 . . 1 . . . . . . . . 1379 1 190 . 1 1 32 32 GLU HA H 1 4.68 . . 1 . . . . . . . . 1379 1 191 . 1 1 32 32 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 1379 1 192 . 1 1 32 32 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 1379 1 193 . 1 1 32 32 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 1379 1 194 . 1 1 32 32 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 1379 1 195 . 1 1 33 33 SER H H 1 8.41 . . 1 . . . . . . . . 1379 1 196 . 1 1 33 33 SER HA H 1 6 . . 1 . . . . . . . . 1379 1 197 . 1 1 33 33 SER HB2 H 1 3.54 . . 2 . . . . . . . . 1379 1 198 . 1 1 33 33 SER HB3 H 1 3.65 . . 2 . . . . . . . . 1379 1 199 . 1 1 34 34 VAL H H 1 9.52 . . 1 . . . . . . . . 1379 1 200 . 1 1 34 34 VAL HA H 1 4.54 . . 1 . . . . . . . . 1379 1 201 . 1 1 34 34 VAL HB H 1 2.05 . . 1 . . . . . . . . 1379 1 202 . 1 1 34 34 VAL HG11 H 1 .82 . . 2 . . . . . . . . 1379 1 203 . 1 1 34 34 VAL HG12 H 1 .82 . . 2 . . . . . . . . 1379 1 204 . 1 1 34 34 VAL HG13 H 1 .82 . . 2 . . . . . . . . 1379 1 205 . 1 1 34 34 VAL HG21 H 1 .95 . . 2 . . . . . . . . 1379 1 206 . 1 1 34 34 VAL HG22 H 1 .95 . . 2 . . . . . . . . 1379 1 207 . 1 1 34 34 VAL HG23 H 1 .95 . . 2 . . . . . . . . 1379 1 208 . 1 1 35 35 ARG H H 1 8.18 . . 1 . . . . . . . . 1379 1 209 . 1 1 35 35 ARG HA H 1 4.41 . . 1 . . . . . . . . 1379 1 210 . 1 1 36 36 PHE H H 1 7.6 . . 1 . . . . . . . . 1379 1 211 . 1 1 36 36 PHE HA H 1 3.22 . . 1 . . . . . . . . 1379 1 212 . 1 1 36 36 PHE HB2 H 1 2.41 . . 2 . . . . . . . . 1379 1 213 . 1 1 36 36 PHE HB3 H 1 2.51 . . 2 . . . . . . . . 1379 1 214 . 1 1 36 36 PHE HD1 H 1 6.12 . . 1 . . . . . . . . 1379 1 215 . 1 1 36 36 PHE HD2 H 1 6.12 . . 1 . . . . . . . . 1379 1 216 . 1 1 36 36 PHE HE1 H 1 7.38 . . 1 . . . . . . . . 1379 1 217 . 1 1 36 36 PHE HE2 H 1 7.38 . . 1 . . . . . . . . 1379 1 218 . 1 1 36 36 PHE HZ H 1 7.13 . . 1 . . . . . . . . 1379 1 219 . 1 1 37 37 GLU H H 1 10.21 . . 1 . . . . . . . . 1379 1 220 . 1 1 37 37 GLU HA H 1 4.12 . . 1 . . . . . . . . 1379 1 221 . 1 1 37 37 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 1379 1 222 . 1 1 37 37 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 1379 1 223 . 1 1 37 37 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 1379 1 224 . 1 1 37 37 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 1379 1 225 . 1 1 38 38 ASP H H 1 7.59 . . 1 . . . . . . . . 1379 1 226 . 1 1 38 38 ASP HA H 1 4.97 . . 1 . . . . . . . . 1379 1 227 . 1 1 38 38 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 1379 1 228 . 1 1 38 38 ASP HB3 H 1 3 . . 2 . . . . . . . . 1379 1 229 . 1 1 39 39 THR H H 1 7.54 . . 1 . . . . . . . . 1379 1 230 . 1 1 39 39 THR HA H 1 5.01 . . 1 . . . . . . . . 1379 1 231 . 1 1 39 39 THR HB H 1 3.91 . . 1 . . . . . . . . 1379 1 232 . 1 1 39 39 THR HG21 H 1 1.13 . . 1 . . . . . . . . 1379 1 233 . 1 1 39 39 THR HG22 H 1 1.13 . . 1 . . . . . . . . 1379 1 234 . 1 1 39 39 THR HG23 H 1 1.13 . . 1 . . . . . . . . 1379 1 235 . 1 1 40 40 ASN H H 1 9.22 . . 1 . . . . . . . . 1379 1 236 . 1 1 40 40 ASN HA H 1 5.27 . . 1 . . . . . . . . 1379 1 237 . 1 1 40 40 ASN HB2 H 1 2.9 . . 1 . . . . . . . . 1379 1 238 . 1 1 40 40 ASN HB3 H 1 2.9 . . 1 . . . . . . . . 1379 1 239 . 1 1 40 40 ASN HD21 H 1 7.32 . . 1 . . . . . . . . 1379 1 240 . 1 1 40 40 ASN HD22 H 1 7.32 . . 1 . . . . . . . . 1379 1 241 . 1 1 41 41 VAL H H 1 8.49 . . 1 . . . . . . . . 1379 1 242 . 1 1 41 41 VAL HA H 1 3.31 . . 1 . . . . . . . . 1379 1 243 . 1 1 41 41 VAL HB H 1 1.7 . . 1 . . . . . . . . 1379 1 244 . 1 1 41 41 VAL HG11 H 1 .43 . . 2 . . . . . . . . 1379 1 245 . 1 1 41 41 VAL HG12 H 1 .43 . . 2 . . . . . . . . 1379 1 246 . 1 1 41 41 VAL HG13 H 1 .43 . . 2 . . . . . . . . 1379 1 247 . 1 1 41 41 VAL HG21 H 1 .51 . . 2 . . . . . . . . 1379 1 248 . 1 1 41 41 VAL HG22 H 1 .51 . . 2 . . . . . . . . 1379 1 249 . 1 1 41 41 VAL HG23 H 1 .51 . . 2 . . . . . . . . 1379 1 250 . 1 1 42 42 ASP H H 1 8.01 . . 1 . . . . . . . . 1379 1 251 . 1 1 42 42 ASP HA H 1 4.3 . . 1 . . . . . . . . 1379 1 252 . 1 1 42 42 ASP HB2 H 1 2.54 . . 2 . . . . . . . . 1379 1 253 . 1 1 42 42 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 1379 1 254 . 1 1 43 43 ASP H H 1 8.1 . . 1 . . . . . . . . 1379 1 255 . 1 1 43 43 ASP HA H 1 4.44 . . 1 . . . . . . . . 1379 1 256 . 1 1 43 43 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 1379 1 257 . 1 1 43 43 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 1379 1 258 . 1 1 44 44 VAL H H 1 7.73 . . 1 . . . . . . . . 1379 1 259 . 1 1 44 44 VAL HA H 1 3.63 . . 1 . . . . . . . . 1379 1 260 . 1 1 44 44 VAL HB H 1 2.24 . . 1 . . . . . . . . 1379 1 261 . 1 1 44 44 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 1379 1 262 . 1 1 44 44 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 1379 1 263 . 1 1 44 44 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 1379 1 264 . 1 1 44 44 VAL HG21 H 1 1.33 . . 2 . . . . . . . . 1379 1 265 . 1 1 44 44 VAL HG22 H 1 1.33 . . 2 . . . . . . . . 1379 1 266 . 1 1 44 44 VAL HG23 H 1 1.33 . . 2 . . . . . . . . 1379 1 267 . 1 1 45 45 ALA H H 1 8.28 . . 1 . . . . . . . . 1379 1 268 . 1 1 45 45 ALA HA H 1 3.92 . . 1 . . . . . . . . 1379 1 269 . 1 1 45 45 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 1379 1 270 . 1 1 45 45 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 1379 1 271 . 1 1 45 45 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 1379 1 272 . 1 1 46 46 SER H H 1 7.28 . . 1 . . . . . . . . 1379 1 273 . 1 1 46 46 SER HA H 1 4.45 . . 1 . . . . . . . . 1379 1 274 . 1 1 46 46 SER HB2 H 1 4.12 . . 2 . . . . . . . . 1379 1 275 . 1 1 46 46 SER HB3 H 1 3.99 . . 2 . . . . . . . . 1379 1 276 . 1 1 47 47 LYS H H 1 7.54 . . 1 . . . . . . . . 1379 1 277 . 1 1 47 47 LYS HA H 1 4.52 . . 1 . . . . . . . . 1379 1 278 . 1 1 47 47 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 1379 1 279 . 1 1 47 47 LYS HB3 H 1 2 . . 2 . . . . . . . . 1379 1 280 . 1 1 48 48 ASP H H 1 7.84 . . 1 . . . . . . . . 1379 1 281 . 1 1 48 48 ASP HA H 1 4.52 . . 1 . . . . . . . . 1379 1 282 . 1 1 48 48 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1379 1 283 . 1 1 48 48 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 1379 1 284 . 1 1 49 49 VAL H H 1 7.52 . . 1 . . . . . . . . 1379 1 285 . 1 1 49 49 VAL HA H 1 4.78 . . 1 . . . . . . . . 1379 1 286 . 1 1 49 49 VAL HB H 1 1.99 . . 1 . . . . . . . . 1379 1 287 . 1 1 49 49 VAL HG11 H 1 .79 . . 2 . . . . . . . . 1379 1 288 . 1 1 49 49 VAL HG12 H 1 .79 . . 2 . . . . . . . . 1379 1 289 . 1 1 49 49 VAL HG13 H 1 .79 . . 2 . . . . . . . . 1379 1 290 . 1 1 49 49 VAL HG21 H 1 .97 . . 2 . . . . . . . . 1379 1 291 . 1 1 49 49 VAL HG22 H 1 .97 . . 2 . . . . . . . . 1379 1 292 . 1 1 49 49 VAL HG23 H 1 .97 . . 2 . . . . . . . . 1379 1 293 . 1 1 50 50 ILE H H 1 8.57 . . 1 . . . . . . . . 1379 1 294 . 1 1 50 50 ILE HA H 1 4.8 . . 1 . . . . . . . . 1379 1 295 . 1 1 50 50 ILE HB H 1 1.66 . . 1 . . . . . . . . 1379 1 296 . 1 1 50 50 ILE HG12 H 1 1.44 . . 1 . . . . . . . . 1379 1 297 . 1 1 50 50 ILE HG13 H 1 1.44 . . 1 . . . . . . . . 1379 1 298 . 1 1 50 50 ILE HG21 H 1 .81 . . 1 . . . . . . . . 1379 1 299 . 1 1 50 50 ILE HG22 H 1 .81 . . 1 . . . . . . . . 1379 1 300 . 1 1 50 50 ILE HG23 H 1 .81 . . 1 . . . . . . . . 1379 1 301 . 1 1 51 51 LEU H H 1 9.66 . . 1 . . . . . . . . 1379 1 302 . 1 1 51 51 LEU HA H 1 5.46 . . 1 . . . . . . . . 1379 1 303 . 1 1 51 51 LEU HB2 H 1 1.15 . . 2 . . . . . . . . 1379 1 304 . 1 1 51 51 LEU HB3 H 1 2.08 . . 2 . . . . . . . . 1379 1 305 . 1 1 51 51 LEU HG H 1 1.44 . . 1 . . . . . . . . 1379 1 306 . 1 1 51 51 LEU HD11 H 1 .53 . . 2 . . . . . . . . 1379 1 307 . 1 1 51 51 LEU HD12 H 1 .53 . . 2 . . . . . . . . 1379 1 308 . 1 1 51 51 LEU HD13 H 1 .53 . . 2 . . . . . . . . 1379 1 309 . 1 1 51 51 LEU HD21 H 1 .65 . . 2 . . . . . . . . 1379 1 310 . 1 1 51 51 LEU HD22 H 1 .65 . . 2 . . . . . . . . 1379 1 311 . 1 1 51 51 LEU HD23 H 1 .65 . . 2 . . . . . . . . 1379 1 312 . 1 1 52 52 LEU H H 1 8.52 . . 1 . . . . . . . . 1379 1 313 . 1 1 52 52 LEU HA H 1 5.49 . . 1 . . . . . . . . 1379 1 314 . 1 1 52 52 LEU HB2 H 1 1.94 . . 2 . . . . . . . . 1379 1 315 . 1 1 52 52 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 1379 1 316 . 1 1 52 52 LEU HG H 1 1.74 . . 1 . . . . . . . . 1379 1 317 . 1 1 52 52 LEU HD11 H 1 .98 . . 2 . . . . . . . . 1379 1 318 . 1 1 52 52 LEU HD12 H 1 .98 . . 2 . . . . . . . . 1379 1 319 . 1 1 52 52 LEU HD13 H 1 .98 . . 2 . . . . . . . . 1379 1 320 . 1 1 52 52 LEU HD21 H 1 1.11 . . 2 . . . . . . . . 1379 1 321 . 1 1 52 52 LEU HD22 H 1 1.11 . . 2 . . . . . . . . 1379 1 322 . 1 1 52 52 LEU HD23 H 1 1.11 . . 2 . . . . . . . . 1379 1 323 . 1 1 53 53 GLY H H 1 9.37 . . 1 . . . . . . . . 1379 1 324 . 1 1 53 53 GLY HA2 H 1 1.76 . . 2 . . . . . . . . 1379 1 325 . 1 1 53 53 GLY HA3 H 1 4.76 . . 2 . . . . . . . . 1379 1 326 . 1 1 54 54 CYS H H 1 9.28 . . 1 . . . . . . . . 1379 1 327 . 1 1 54 54 CYS HA H 1 5.55 . . 1 . . . . . . . . 1379 1 328 . 1 1 54 54 CYS HB2 H 1 2.84 . . 2 . . . . . . . . 1379 1 329 . 1 1 54 54 CYS HB3 H 1 2.79 . . 2 . . . . . . . . 1379 1 330 . 1 1 54 54 CYS HG H 1 4.52 . . 1 . . . . . . . . 1379 1 331 . 1 1 55 55 PRO HA H 1 5.29 . . 1 . . . . . . . . 1379 1 332 . 1 1 55 55 PRO HB2 H 1 1.62 . . 2 . . . . . . . . 1379 1 333 . 1 1 55 55 PRO HB3 H 1 2.37 . . 2 . . . . . . . . 1379 1 334 . 1 1 55 55 PRO HG2 H 1 1.39 . . 1 . . . . . . . . 1379 1 335 . 1 1 55 55 PRO HG3 H 1 1.39 . . 1 . . . . . . . . 1379 1 336 . 1 1 55 55 PRO HD2 H 1 4.34 . . 2 . . . . . . . . 1379 1 337 . 1 1 55 55 PRO HD3 H 1 4.85 . . 2 . . . . . . . . 1379 1 338 . 1 1 56 56 ALA H H 1 6.32 . . 1 . . . . . . . . 1379 1 339 . 1 1 56 56 ALA HA H 1 2.29 . . 1 . . . . . . . . 1379 1 340 . 1 1 56 56 ALA HB1 H 1 -.04 . . 1 . . . . . . . . 1379 1 341 . 1 1 56 56 ALA HB2 H 1 -.04 . . 1 . . . . . . . . 1379 1 342 . 1 1 56 56 ALA HB3 H 1 -.04 . . 1 . . . . . . . . 1379 1 343 . 1 1 57 57 MET H H 1 7.46 . . 1 . . . . . . . . 1379 1 344 . 1 1 57 57 MET HA H 1 3.61 . . 1 . . . . . . . . 1379 1 345 . 1 1 57 57 MET HB2 H 1 .99 . . 2 . . . . . . . . 1379 1 346 . 1 1 57 57 MET HB3 H 1 1.8 . . 2 . . . . . . . . 1379 1 347 . 1 1 58 58 GLY H H 1 7.39 . . 1 . . . . . . . . 1379 1 348 . 1 1 58 58 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 1379 1 349 . 1 1 58 58 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 1379 1 350 . 1 1 59 59 SER H H 1 9.09 . . 1 . . . . . . . . 1379 1 351 . 1 1 59 59 SER HA H 1 4.83 . . 1 . . . . . . . . 1379 1 352 . 1 1 59 59 SER HB2 H 1 3.87 . . 2 . . . . . . . . 1379 1 353 . 1 1 59 59 SER HB3 H 1 4.01 . . 2 . . . . . . . . 1379 1 354 . 1 1 60 60 GLU H H 1 8.23 . . 1 . . . . . . . . 1379 1 355 . 1 1 60 60 GLU HA H 1 3.8 . . 1 . . . . . . . . 1379 1 356 . 1 1 60 60 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 1379 1 357 . 1 1 60 60 GLU HB3 H 1 2.44 . . 2 . . . . . . . . 1379 1 358 . 1 1 61 61 GLU H H 1 8.33 . . 1 . . . . . . . . 1379 1 359 . 1 1 61 61 GLU HA H 1 4.49 . . 1 . . . . . . . . 1379 1 360 . 1 1 61 61 GLU HB2 H 1 1.71 . . 2 . . . . . . . . 1379 1 361 . 1 1 61 61 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 1379 1 362 . 1 1 62 62 LEU H H 1 7.73 . . 1 . . . . . . . . 1379 1 363 . 1 1 62 62 LEU HA H 1 4.02 . . 1 . . . . . . . . 1379 1 364 . 1 1 62 62 LEU HB2 H 1 .73 . . 2 . . . . . . . . 1379 1 365 . 1 1 62 62 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 1379 1 366 . 1 1 62 62 LEU HG H 1 1.02 . . 1 . . . . . . . . 1379 1 367 . 1 1 62 62 LEU HD11 H 1 .74 . . 2 . . . . . . . . 1379 1 368 . 1 1 62 62 LEU HD12 H 1 .74 . . 2 . . . . . . . . 1379 1 369 . 1 1 62 62 LEU HD13 H 1 .74 . . 2 . . . . . . . . 1379 1 370 . 1 1 62 62 LEU HD21 H 1 .25 . . 2 . . . . . . . . 1379 1 371 . 1 1 62 62 LEU HD22 H 1 .25 . . 2 . . . . . . . . 1379 1 372 . 1 1 62 62 LEU HD23 H 1 .25 . . 2 . . . . . . . . 1379 1 373 . 1 1 63 63 GLU H H 1 5.84 . . 1 . . . . . . . . 1379 1 374 . 1 1 63 63 GLU HA H 1 3.26 . . 1 . . . . . . . . 1379 1 375 . 1 1 63 63 GLU HB2 H 1 1.41 . . 1 . . . . . . . . 1379 1 376 . 1 1 63 63 GLU HB3 H 1 1.41 . . 1 . . . . . . . . 1379 1 377 . 1 1 63 63 GLU HG2 H 1 .31 . . 2 . . . . . . . . 1379 1 378 . 1 1 63 63 GLU HG3 H 1 1.21 . . 2 . . . . . . . . 1379 1 379 . 1 1 64 64 ASP H H 1 7.97 . . 1 . . . . . . . . 1379 1 380 . 1 1 64 64 ASP HA H 1 4.07 . . 1 . . . . . . . . 1379 1 381 . 1 1 64 64 ASP HB2 H 1 2.57 . . 1 . . . . . . . . 1379 1 382 . 1 1 64 64 ASP HB3 H 1 2.57 . . 1 . . . . . . . . 1379 1 383 . 1 1 65 65 SER H H 1 8.2 . . 1 . . . . . . . . 1379 1 384 . 1 1 65 65 SER HA H 1 4.3 . . 1 . . . . . . . . 1379 1 385 . 1 1 65 65 SER HB2 H 1 3.82 . . 2 . . . . . . . . 1379 1 386 . 1 1 65 65 SER HB3 H 1 3.91 . . 2 . . . . . . . . 1379 1 387 . 1 1 66 66 VAL H H 1 10.79 . . 1 . . . . . . . . 1379 1 388 . 1 1 66 66 VAL HA H 1 4 . . 1 . . . . . . . . 1379 1 389 . 1 1 66 66 VAL HB H 1 1.6 . . 1 . . . . . . . . 1379 1 390 . 1 1 66 66 VAL HG11 H 1 .79 . . 2 . . . . . . . . 1379 1 391 . 1 1 66 66 VAL HG12 H 1 .79 . . 2 . . . . . . . . 1379 1 392 . 1 1 66 66 VAL HG13 H 1 .79 . . 2 . . . . . . . . 1379 1 393 . 1 1 66 66 VAL HG21 H 1 .96 . . 2 . . . . . . . . 1379 1 394 . 1 1 66 66 VAL HG22 H 1 .96 . . 2 . . . . . . . . 1379 1 395 . 1 1 66 66 VAL HG23 H 1 .96 . . 2 . . . . . . . . 1379 1 396 . 1 1 67 67 VAL H H 1 7.78 . . 1 . . . . . . . . 1379 1 397 . 1 1 67 67 VAL HA H 1 2.54 . . 1 . . . . . . . . 1379 1 398 . 1 1 67 67 VAL HB H 1 1.99 . . 1 . . . . . . . . 1379 1 399 . 1 1 67 67 VAL HG11 H 1 .33 . . 2 . . . . . . . . 1379 1 400 . 1 1 67 67 VAL HG12 H 1 .33 . . 2 . . . . . . . . 1379 1 401 . 1 1 67 67 VAL HG13 H 1 .33 . . 2 . . . . . . . . 1379 1 402 . 1 1 67 67 VAL HG21 H 1 .57 . . 2 . . . . . . . . 1379 1 403 . 1 1 67 67 VAL HG22 H 1 .57 . . 2 . . . . . . . . 1379 1 404 . 1 1 67 67 VAL HG23 H 1 .57 . . 2 . . . . . . . . 1379 1 405 . 1 1 68 68 GLU H H 1 8.52 . . 1 . . . . . . . . 1379 1 406 . 1 1 68 68 GLU HA H 1 4.15 . . 1 . . . . . . . . 1379 1 407 . 1 1 69 69 PRO HA H 1 4.27 . . 1 . . . . . . . . 1379 1 408 . 1 1 69 69 PRO HB2 H 1 2.25 . . 1 . . . . . . . . 1379 1 409 . 1 1 69 69 PRO HB3 H 1 2.25 . . 1 . . . . . . . . 1379 1 410 . 1 1 69 69 PRO HG2 H 1 1.82 . . 1 . . . . . . . . 1379 1 411 . 1 1 69 69 PRO HG3 H 1 1.82 . . 1 . . . . . . . . 1379 1 412 . 1 1 69 69 PRO HD2 H 1 3.08 . . 2 . . . . . . . . 1379 1 413 . 1 1 69 69 PRO HD3 H 1 3.41 . . 2 . . . . . . . . 1379 1 414 . 1 1 70 70 PHE H H 1 7.07 . . 1 . . . . . . . . 1379 1 415 . 1 1 70 70 PHE HA H 1 4.12 . . 1 . . . . . . . . 1379 1 416 . 1 1 70 70 PHE HB2 H 1 3.14 . . 1 . . . . . . . . 1379 1 417 . 1 1 70 70 PHE HB3 H 1 3.14 . . 1 . . . . . . . . 1379 1 418 . 1 1 70 70 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 1379 1 419 . 1 1 70 70 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 1379 1 420 . 1 1 70 70 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 1379 1 421 . 1 1 70 70 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 1379 1 422 . 1 1 70 70 PHE HZ H 1 7.16 . . 1 . . . . . . . . 1379 1 423 . 1 1 71 71 PHE H H 1 9.76 . . 1 . . . . . . . . 1379 1 424 . 1 1 71 71 PHE HA H 1 4.15 . . 1 . . . . . . . . 1379 1 425 . 1 1 71 71 PHE HB2 H 1 3.03 . . 1 . . . . . . . . 1379 1 426 . 1 1 71 71 PHE HB3 H 1 3.03 . . 1 . . . . . . . . 1379 1 427 . 1 1 71 71 PHE HD1 H 1 7.26 . . 1 . . . . . . . . 1379 1 428 . 1 1 71 71 PHE HD2 H 1 7.26 . . 1 . . . . . . . . 1379 1 429 . 1 1 71 71 PHE HE1 H 1 6.72 . . 1 . . . . . . . . 1379 1 430 . 1 1 71 71 PHE HE2 H 1 6.72 . . 1 . . . . . . . . 1379 1 431 . 1 1 71 71 PHE HZ H 1 7 . . 1 . . . . . . . . 1379 1 432 . 1 1 72 72 THR H H 1 8.56 . . 1 . . . . . . . . 1379 1 433 . 1 1 72 72 THR HA H 1 3.69 . . 1 . . . . . . . . 1379 1 434 . 1 1 72 72 THR HB H 1 4.27 . . 1 . . . . . . . . 1379 1 435 . 1 1 72 72 THR HG21 H 1 1.21 . . 1 . . . . . . . . 1379 1 436 . 1 1 72 72 THR HG22 H 1 1.21 . . 1 . . . . . . . . 1379 1 437 . 1 1 72 72 THR HG23 H 1 1.21 . . 1 . . . . . . . . 1379 1 438 . 1 1 73 73 ASP H H 1 7.25 . . 1 . . . . . . . . 1379 1 439 . 1 1 73 73 ASP HA H 1 4.49 . . 1 . . . . . . . . 1379 1 440 . 1 1 73 73 ASP HB2 H 1 2.46 . . 2 . . . . . . . . 1379 1 441 . 1 1 73 73 ASP HB3 H 1 2.6 . . 2 . . . . . . . . 1379 1 442 . 1 1 74 74 LEU H H 1 8.4 . . 1 . . . . . . . . 1379 1 443 . 1 1 74 74 LEU HA H 1 3.91 . . 1 . . . . . . . . 1379 1 444 . 1 1 74 74 LEU HB2 H 1 1.9 . . 1 . . . . . . . . 1379 1 445 . 1 1 74 74 LEU HB3 H 1 1.9 . . 1 . . . . . . . . 1379 1 446 . 1 1 74 74 LEU HG H 1 1.61 . . 1 . . . . . . . . 1379 1 447 . 1 1 74 74 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 1379 1 448 . 1 1 74 74 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 1379 1 449 . 1 1 74 74 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 1379 1 450 . 1 1 74 74 LEU HD21 H 1 1.24 . . 2 . . . . . . . . 1379 1 451 . 1 1 74 74 LEU HD22 H 1 1.24 . . 2 . . . . . . . . 1379 1 452 . 1 1 74 74 LEU HD23 H 1 1.24 . . 2 . . . . . . . . 1379 1 453 . 1 1 75 75 ALA H H 1 8.12 . . 1 . . . . . . . . 1379 1 454 . 1 1 75 75 ALA HA H 1 3.71 . . 1 . . . . . . . . 1379 1 455 . 1 1 75 75 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 1379 1 456 . 1 1 75 75 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 1379 1 457 . 1 1 75 75 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 1379 1 458 . 1 1 76 76 PRO HA H 1 4.45 . . 1 . . . . . . . . 1379 1 459 . 1 1 76 76 PRO HB2 H 1 1.79 . . 2 . . . . . . . . 1379 1 460 . 1 1 76 76 PRO HB3 H 1 2.41 . . 2 . . . . . . . . 1379 1 461 . 1 1 76 76 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 1379 1 462 . 1 1 76 76 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 1379 1 463 . 1 1 76 76 PRO HD2 H 1 3.58 . . 1 . . . . . . . . 1379 1 464 . 1 1 76 76 PRO HD3 H 1 3.58 . . 1 . . . . . . . . 1379 1 465 . 1 1 77 77 LYS H H 1 8.19 . . 1 . . . . . . . . 1379 1 466 . 1 1 77 77 LYS HA H 1 4.38 . . 1 . . . . . . . . 1379 1 467 . 1 1 77 77 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 1379 1 468 . 1 1 77 77 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 1379 1 469 . 1 1 78 78 LEU H H 1 7.59 . . 1 . . . . . . . . 1379 1 470 . 1 1 78 78 LEU HA H 1 4.22 . . 1 . . . . . . . . 1379 1 471 . 1 1 78 78 LEU HB2 H 1 2.09 . . 1 . . . . . . . . 1379 1 472 . 1 1 78 78 LEU HB3 H 1 2.09 . . 1 . . . . . . . . 1379 1 473 . 1 1 78 78 LEU HD11 H 1 .66 . . 2 . . . . . . . . 1379 1 474 . 1 1 78 78 LEU HD12 H 1 .66 . . 2 . . . . . . . . 1379 1 475 . 1 1 78 78 LEU HD13 H 1 .66 . . 2 . . . . . . . . 1379 1 476 . 1 1 78 78 LEU HD21 H 1 .86 . . 2 . . . . . . . . 1379 1 477 . 1 1 78 78 LEU HD22 H 1 .86 . . 2 . . . . . . . . 1379 1 478 . 1 1 78 78 LEU HD23 H 1 .86 . . 2 . . . . . . . . 1379 1 479 . 1 1 79 79 LYS H H 1 7.02 . . 1 . . . . . . . . 1379 1 480 . 1 1 79 79 LYS HA H 1 3.57 . . 1 . . . . . . . . 1379 1 481 . 1 1 79 79 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 1379 1 482 . 1 1 79 79 LYS HB3 H 1 1.97 . . 2 . . . . . . . . 1379 1 483 . 1 1 79 79 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 1379 1 484 . 1 1 79 79 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 1379 1 485 . 1 1 79 79 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 1379 1 486 . 1 1 79 79 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 1379 1 487 . 1 1 80 80 GLY H H 1 7.79 . . 1 . . . . . . . . 1379 1 488 . 1 1 80 80 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 1379 1 489 . 1 1 80 80 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 1379 1 490 . 1 1 81 81 LYS H H 1 8.16 . . 1 . . . . . . . . 1379 1 491 . 1 1 81 81 LYS HA H 1 4.71 . . 1 . . . . . . . . 1379 1 492 . 1 1 81 81 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 1379 1 493 . 1 1 81 81 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 1379 1 494 . 1 1 81 81 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 1379 1 495 . 1 1 81 81 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 1379 1 496 . 1 1 81 81 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 1379 1 497 . 1 1 81 81 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 1379 1 498 . 1 1 82 82 LYS H H 1 7.96 . . 1 . . . . . . . . 1379 1 499 . 1 1 82 82 LYS HA H 1 4.94 . . 1 . . . . . . . . 1379 1 500 . 1 1 82 82 LYS HB2 H 1 2.17 . . 1 . . . . . . . . 1379 1 501 . 1 1 82 82 LYS HB3 H 1 2.17 . . 1 . . . . . . . . 1379 1 502 . 1 1 82 82 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 1379 1 503 . 1 1 82 82 LYS HG3 H 1 1.55 . . 2 . . . . . . . . 1379 1 504 . 1 1 82 82 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 1379 1 505 . 1 1 82 82 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 1379 1 506 . 1 1 82 82 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 1379 1 507 . 1 1 82 82 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 1379 1 508 . 1 1 83 83 VAL H H 1 8.86 . . 1 . . . . . . . . 1379 1 509 . 1 1 83 83 VAL HA H 1 5.75 . . 1 . . . . . . . . 1379 1 510 . 1 1 83 83 VAL HB H 1 1.57 . . 1 . . . . . . . . 1379 1 511 . 1 1 83 83 VAL HG11 H 1 .86 . . 1 . . . . . . . . 1379 1 512 . 1 1 83 83 VAL HG12 H 1 .86 . . 1 . . . . . . . . 1379 1 513 . 1 1 83 83 VAL HG13 H 1 .86 . . 1 . . . . . . . . 1379 1 514 . 1 1 83 83 VAL HG21 H 1 .86 . . 1 . . . . . . . . 1379 1 515 . 1 1 83 83 VAL HG22 H 1 .86 . . 1 . . . . . . . . 1379 1 516 . 1 1 83 83 VAL HG23 H 1 .86 . . 1 . . . . . . . . 1379 1 517 . 1 1 84 84 GLY H H 1 9.34 . . 1 . . . . . . . . 1379 1 518 . 1 1 84 84 GLY HA2 H 1 3.3 . . 2 . . . . . . . . 1379 1 519 . 1 1 84 84 GLY HA3 H 1 5.14 . . 2 . . . . . . . . 1379 1 520 . 1 1 85 85 LEU H H 1 7.33 . . 1 . . . . . . . . 1379 1 521 . 1 1 85 85 LEU HA H 1 5.49 . . 1 . . . . . . . . 1379 1 522 . 1 1 85 85 LEU HB2 H 1 .39 . . 2 . . . . . . . . 1379 1 523 . 1 1 85 85 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 1379 1 524 . 1 1 85 85 LEU HG H 1 .91 . . 1 . . . . . . . . 1379 1 525 . 1 1 85 85 LEU HD11 H 1 .4 . . 2 . . . . . . . . 1379 1 526 . 1 1 85 85 LEU HD12 H 1 .4 . . 2 . . . . . . . . 1379 1 527 . 1 1 85 85 LEU HD13 H 1 .4 . . 2 . . . . . . . . 1379 1 528 . 1 1 85 85 LEU HD21 H 1 .01 . . 2 . . . . . . . . 1379 1 529 . 1 1 85 85 LEU HD22 H 1 .01 . . 2 . . . . . . . . 1379 1 530 . 1 1 85 85 LEU HD23 H 1 .01 . . 2 . . . . . . . . 1379 1 531 . 1 1 86 86 PHE H H 1 9.37 . . 1 . . . . . . . . 1379 1 532 . 1 1 86 86 PHE HA H 1 6.05 . . 1 . . . . . . . . 1379 1 533 . 1 1 86 86 PHE HB2 H 1 2.89 . . 2 . . . . . . . . 1379 1 534 . 1 1 86 86 PHE HB3 H 1 3.12 . . 2 . . . . . . . . 1379 1 535 . 1 1 86 86 PHE HD1 H 1 6.68 . . 1 . . . . . . . . 1379 1 536 . 1 1 86 86 PHE HD2 H 1 7.09 . . 1 . . . . . . . . 1379 1 537 . 1 1 86 86 PHE HE1 H 1 6.83 . . 1 . . . . . . . . 1379 1 538 . 1 1 86 86 PHE HE2 H 1 7.32 . . 1 . . . . . . . . 1379 1 539 . 1 1 86 86 PHE HZ H 1 6.83 . . 1 . . . . . . . . 1379 1 540 . 1 1 87 87 GLY H H 1 8.16 . . 1 . . . . . . . . 1379 1 541 . 1 1 87 87 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 1379 1 542 . 1 1 87 87 GLY HA3 H 1 5.18 . . 2 . . . . . . . . 1379 1 543 . 1 1 88 88 SER H H 1 6.56 . . 1 . . . . . . . . 1379 1 544 . 1 1 88 88 SER HA H 1 6.09 . . 1 . . . . . . . . 1379 1 545 . 1 1 88 88 SER HB2 H 1 3.7 . . 1 . . . . . . . . 1379 1 546 . 1 1 88 88 SER HB3 H 1 3.7 . . 1 . . . . . . . . 1379 1 547 . 1 1 88 88 SER HG H 1 6.64 . . 1 . . . . . . . . 1379 1 548 . 1 1 89 89 TYR H H 1 8.32 . . 1 . . . . . . . . 1379 1 549 . 1 1 89 89 TYR HA H 1 5.25 . . 1 . . . . . . . . 1379 1 550 . 1 1 89 89 TYR HB2 H 1 2.74 . . 2 . . . . . . . . 1379 1 551 . 1 1 89 89 TYR HB3 H 1 2.84 . . 2 . . . . . . . . 1379 1 552 . 1 1 89 89 TYR HD1 H 1 7.1 . . 1 . . . . . . . . 1379 1 553 . 1 1 89 89 TYR HD2 H 1 7.1 . . 1 . . . . . . . . 1379 1 554 . 1 1 89 89 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 1379 1 555 . 1 1 89 89 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 1379 1 556 . 1 1 90 90 GLY H H 1 8.67 . . 1 . . . . . . . . 1379 1 557 . 1 1 90 90 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 1379 1 558 . 1 1 90 90 GLY HA3 H 1 4.69 . . 2 . . . . . . . . 1379 1 559 . 1 1 91 91 TRP H H 1 6.83 . . 1 . . . . . . . . 1379 1 560 . 1 1 91 91 TRP HA H 1 4.92 . . 1 . . . . . . . . 1379 1 561 . 1 1 91 91 TRP HB2 H 1 3.38 . . 1 . . . . . . . . 1379 1 562 . 1 1 91 91 TRP HB3 H 1 3.38 . . 1 . . . . . . . . 1379 1 563 . 1 1 91 91 TRP HD1 H 1 7.12 . . 1 . . . . . . . . 1379 1 564 . 1 1 91 91 TRP HE1 H 1 10.13 . . 1 . . . . . . . . 1379 1 565 . 1 1 91 91 TRP HE3 H 1 7.6 . . 1 . . . . . . . . 1379 1 566 . 1 1 91 91 TRP HZ2 H 1 6.45 . . 1 . . . . . . . . 1379 1 567 . 1 1 91 91 TRP HZ3 H 1 6.8 . . 1 . . . . . . . . 1379 1 568 . 1 1 91 91 TRP HH2 H 1 5.61 . . 1 . . . . . . . . 1379 1 569 . 1 1 92 92 GLY H H 1 8.26 . . 1 . . . . . . . . 1379 1 570 . 1 1 92 92 GLY HA2 H 1 4.47 . . 1 . . . . . . . . 1379 1 571 . 1 1 92 92 GLY HA3 H 1 4.47 . . 1 . . . . . . . . 1379 1 572 . 1 1 93 93 SER H H 1 9.61 . . 1 . . . . . . . . 1379 1 573 . 1 1 93 93 SER HA H 1 4.8 . . 1 . . . . . . . . 1379 1 574 . 1 1 93 93 SER HB2 H 1 3.9 . . 2 . . . . . . . . 1379 1 575 . 1 1 93 93 SER HB3 H 1 3.99 . . 2 . . . . . . . . 1379 1 576 . 1 1 94 94 GLY H H 1 9.22 . . 1 . . . . . . . . 1379 1 577 . 1 1 94 94 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 1379 1 578 . 1 1 94 94 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 1379 1 579 . 1 1 95 95 GLU H H 1 9.36 . . 1 . . . . . . . . 1379 1 580 . 1 1 95 95 GLU HA H 1 4.05 . . 1 . . . . . . . . 1379 1 581 . 1 1 95 95 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 1379 1 582 . 1 1 95 95 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 1379 1 583 . 1 1 95 95 GLU HG2 H 1 2.4 . . 2 . . . . . . . . 1379 1 584 . 1 1 95 95 GLU HG3 H 1 2.49 . . 2 . . . . . . . . 1379 1 585 . 1 1 96 96 TRP H H 1 9.43 . . 1 . . . . . . . . 1379 1 586 . 1 1 96 96 TRP HA H 1 4.43 . . 1 . . . . . . . . 1379 1 587 . 1 1 96 96 TRP HB2 H 1 2.96 . . 2 . . . . . . . . 1379 1 588 . 1 1 96 96 TRP HB3 H 1 3.21 . . 2 . . . . . . . . 1379 1 589 . 1 1 96 96 TRP HD1 H 1 6.33 . . 1 . . . . . . . . 1379 1 590 . 1 1 96 96 TRP HE1 H 1 8.96 . . 1 . . . . . . . . 1379 1 591 . 1 1 96 96 TRP HE3 H 1 7.42 . . 1 . . . . . . . . 1379 1 592 . 1 1 96 96 TRP HZ2 H 1 7.38 . . 1 . . . . . . . . 1379 1 593 . 1 1 96 96 TRP HZ3 H 1 6.6 . . 1 . . . . . . . . 1379 1 594 . 1 1 96 96 TRP HH2 H 1 7.1 . . 1 . . . . . . . . 1379 1 595 . 1 1 97 97 MET H H 1 6.88 . . 1 . . . . . . . . 1379 1 596 . 1 1 97 97 MET HA H 1 3.98 . . 1 . . . . . . . . 1379 1 597 . 1 1 97 97 MET HB2 H 1 .16 . . 2 . . . . . . . . 1379 1 598 . 1 1 97 97 MET HB3 H 1 1.42 . . 2 . . . . . . . . 1379 1 599 . 1 1 97 97 MET HG2 H 1 2.03 . . 2 . . . . . . . . 1379 1 600 . 1 1 97 97 MET HG3 H 1 2.09 . . 2 . . . . . . . . 1379 1 601 . 1 1 98 98 ASP H H 1 7.26 . . 1 . . . . . . . . 1379 1 602 . 1 1 98 98 ASP HA H 1 4.25 . . 1 . . . . . . . . 1379 1 603 . 1 1 98 98 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 1379 1 604 . 1 1 98 98 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 1379 1 605 . 1 1 99 99 ALA H H 1 7.67 . . 1 . . . . . . . . 1379 1 606 . 1 1 99 99 ALA HA H 1 4.22 . . 1 . . . . . . . . 1379 1 607 . 1 1 99 99 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 1379 1 608 . 1 1 99 99 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 1379 1 609 . 1 1 99 99 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 1379 1 610 . 1 1 100 100 TRP H H 1 8.31 . . 1 . . . . . . . . 1379 1 611 . 1 1 100 100 TRP HA H 1 4.43 . . 1 . . . . . . . . 1379 1 612 . 1 1 100 100 TRP HB2 H 1 3 . . 2 . . . . . . . . 1379 1 613 . 1 1 100 100 TRP HB3 H 1 3.28 . . 2 . . . . . . . . 1379 1 614 . 1 1 100 100 TRP HD1 H 1 6.38 . . 1 . . . . . . . . 1379 1 615 . 1 1 100 100 TRP HE1 H 1 6.17 . . 1 . . . . . . . . 1379 1 616 . 1 1 100 100 TRP HE3 H 1 7 . . 1 . . . . . . . . 1379 1 617 . 1 1 100 100 TRP HZ2 H 1 6.72 . . 1 . . . . . . . . 1379 1 618 . 1 1 100 100 TRP HH2 H 1 7.34 . . 1 . . . . . . . . 1379 1 619 . 1 1 101 101 LYS H H 1 9.11 . . 1 . . . . . . . . 1379 1 620 . 1 1 101 101 LYS HA H 1 3.5 . . 1 . . . . . . . . 1379 1 621 . 1 1 101 101 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 1379 1 622 . 1 1 101 101 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 1379 1 623 . 1 1 101 101 LYS HG2 H 1 1.12 . . 2 . . . . . . . . 1379 1 624 . 1 1 101 101 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 1379 1 625 . 1 1 101 101 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 1379 1 626 . 1 1 101 101 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 1379 1 627 . 1 1 101 101 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 1379 1 628 . 1 1 101 101 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 1379 1 629 . 1 1 102 102 GLN H H 1 7.59 . . 1 . . . . . . . . 1379 1 630 . 1 1 102 102 GLN HA H 1 4.11 . . 1 . . . . . . . . 1379 1 631 . 1 1 102 102 GLN HB2 H 1 2.22 . . 1 . . . . . . . . 1379 1 632 . 1 1 102 102 GLN HB3 H 1 2.22 . . 1 . . . . . . . . 1379 1 633 . 1 1 103 103 ARG H H 1 8.21 . . 1 . . . . . . . . 1379 1 634 . 1 1 103 103 ARG HA H 1 4.24 . . 1 . . . . . . . . 1379 1 635 . 1 1 104 104 THR H H 1 8.49 . . 1 . . . . . . . . 1379 1 636 . 1 1 104 104 THR HA H 1 3.98 . . 1 . . . . . . . . 1379 1 637 . 1 1 104 104 THR HB H 1 4.06 . . 1 . . . . . . . . 1379 1 638 . 1 1 104 104 THR HG1 H 1 3.68 . . 1 . . . . . . . . 1379 1 639 . 1 1 104 104 THR HG21 H 1 .96 . . 1 . . . . . . . . 1379 1 640 . 1 1 104 104 THR HG22 H 1 .96 . . 1 . . . . . . . . 1379 1 641 . 1 1 104 104 THR HG23 H 1 .96 . . 1 . . . . . . . . 1379 1 642 . 1 1 105 105 GLU H H 1 9.06 . . 1 . . . . . . . . 1379 1 643 . 1 1 105 105 GLU HA H 1 4.11 . . 1 . . . . . . . . 1379 1 644 . 1 1 105 105 GLU HB2 H 1 2.11 . . 2 . . . . . . . . 1379 1 645 . 1 1 105 105 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 1379 1 646 . 1 1 105 105 GLU HG2 H 1 2.52 . . 1 . . . . . . . . 1379 1 647 . 1 1 105 105 GLU HG3 H 1 2.52 . . 1 . . . . . . . . 1379 1 648 . 1 1 106 106 ASP H H 1 8.24 . . 1 . . . . . . . . 1379 1 649 . 1 1 106 106 ASP HA H 1 4.57 . . 1 . . . . . . . . 1379 1 650 . 1 1 106 106 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 1379 1 651 . 1 1 106 106 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 1379 1 652 . 1 1 107 107 THR H H 1 7.47 . . 1 . . . . . . . . 1379 1 653 . 1 1 107 107 THR HA H 1 4.31 . . 1 . . . . . . . . 1379 1 654 . 1 1 107 107 THR HB H 1 4.41 . . 1 . . . . . . . . 1379 1 655 . 1 1 107 107 THR HG1 H 1 5.38 . . 1 . . . . . . . . 1379 1 656 . 1 1 107 107 THR HG21 H 1 1.51 . . 1 . . . . . . . . 1379 1 657 . 1 1 107 107 THR HG22 H 1 1.51 . . 1 . . . . . . . . 1379 1 658 . 1 1 107 107 THR HG23 H 1 1.51 . . 1 . . . . . . . . 1379 1 659 . 1 1 108 108 GLY H H 1 7.96 . . 1 . . . . . . . . 1379 1 660 . 1 1 108 108 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 1379 1 661 . 1 1 108 108 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 1379 1 662 . 1 1 109 109 ALA H H 1 7.54 . . 1 . . . . . . . . 1379 1 663 . 1 1 109 109 ALA HA H 1 4.71 . . 1 . . . . . . . . 1379 1 664 . 1 1 109 109 ALA HB1 H 1 1.23 . . 1 . . . . . . . . 1379 1 665 . 1 1 109 109 ALA HB2 H 1 1.23 . . 1 . . . . . . . . 1379 1 666 . 1 1 109 109 ALA HB3 H 1 1.23 . . 1 . . . . . . . . 1379 1 667 . 1 1 110 110 THR H H 1 8.88 . . 1 . . . . . . . . 1379 1 668 . 1 1 110 110 THR HA H 1 4.35 . . 1 . . . . . . . . 1379 1 669 . 1 1 110 110 THR HB H 1 3.96 . . 1 . . . . . . . . 1379 1 670 . 1 1 110 110 THR HG21 H 1 1.13 . . 1 . . . . . . . . 1379 1 671 . 1 1 110 110 THR HG22 H 1 1.13 . . 1 . . . . . . . . 1379 1 672 . 1 1 110 110 THR HG23 H 1 1.13 . . 1 . . . . . . . . 1379 1 673 . 1 1 111 111 VAL H H 1 9 . . 1 . . . . . . . . 1379 1 674 . 1 1 111 111 VAL HA H 1 5.05 . . 1 . . . . . . . . 1379 1 675 . 1 1 111 111 VAL HB H 1 2.08 . . 1 . . . . . . . . 1379 1 676 . 1 1 111 111 VAL HG11 H 1 .77 . . 1 . . . . . . . . 1379 1 677 . 1 1 111 111 VAL HG12 H 1 .77 . . 1 . . . . . . . . 1379 1 678 . 1 1 111 111 VAL HG13 H 1 .77 . . 1 . . . . . . . . 1379 1 679 . 1 1 111 111 VAL HG21 H 1 .77 . . 1 . . . . . . . . 1379 1 680 . 1 1 111 111 VAL HG22 H 1 .77 . . 1 . . . . . . . . 1379 1 681 . 1 1 111 111 VAL HG23 H 1 .77 . . 1 . . . . . . . . 1379 1 682 . 1 1 112 112 ILE H H 1 8.87 . . 1 . . . . . . . . 1379 1 683 . 1 1 112 112 ILE HA H 1 4.2 . . 1 . . . . . . . . 1379 1 684 . 1 1 112 112 ILE HB H 1 1.91 . . 1 . . . . . . . . 1379 1 685 . 1 1 112 112 ILE HG12 H 1 .86 . . 2 . . . . . . . . 1379 1 686 . 1 1 112 112 ILE HG13 H 1 1.06 . . 2 . . . . . . . . 1379 1 687 . 1 1 112 112 ILE HG21 H 1 .68 . . 1 . . . . . . . . 1379 1 688 . 1 1 112 112 ILE HG22 H 1 .68 . . 1 . . . . . . . . 1379 1 689 . 1 1 112 112 ILE HG23 H 1 .68 . . 1 . . . . . . . . 1379 1 690 . 1 1 112 112 ILE HD11 H 1 .55 . . 1 . . . . . . . . 1379 1 691 . 1 1 112 112 ILE HD12 H 1 .55 . . 1 . . . . . . . . 1379 1 692 . 1 1 112 112 ILE HD13 H 1 .55 . . 1 . . . . . . . . 1379 1 693 . 1 1 113 113 GLY H H 1 6.93 . . 1 . . . . . . . . 1379 1 694 . 1 1 113 113 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 1379 1 695 . 1 1 113 113 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 1379 1 696 . 1 1 114 114 THR H H 1 8.03 . . 1 . . . . . . . . 1379 1 697 . 1 1 114 114 THR HA H 1 5.82 . . 1 . . . . . . . . 1379 1 698 . 1 1 114 114 THR HB H 1 3.96 . . 1 . . . . . . . . 1379 1 699 . 1 1 114 114 THR HG21 H 1 .91 . . 1 . . . . . . . . 1379 1 700 . 1 1 114 114 THR HG22 H 1 .91 . . 1 . . . . . . . . 1379 1 701 . 1 1 114 114 THR HG23 H 1 .91 . . 1 . . . . . . . . 1379 1 702 . 1 1 115 115 ALA H H 1 8.42 . . 1 . . . . . . . . 1379 1 703 . 1 1 115 115 ALA HA H 1 4.87 . . 1 . . . . . . . . 1379 1 704 . 1 1 115 115 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 1379 1 705 . 1 1 115 115 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 1379 1 706 . 1 1 115 115 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 1379 1 707 . 1 1 116 116 ILE H H 1 8.53 . . 1 . . . . . . . . 1379 1 708 . 1 1 116 116 ILE HA H 1 5.93 . . 1 . . . . . . . . 1379 1 709 . 1 1 116 116 ILE HB H 1 2.22 . . 1 . . . . . . . . 1379 1 710 . 1 1 116 116 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 1379 1 711 . 1 1 116 116 ILE HG13 H 1 1.67 . . 2 . . . . . . . . 1379 1 712 . 1 1 116 116 ILE HG21 H 1 .78 . . 1 . . . . . . . . 1379 1 713 . 1 1 116 116 ILE HG22 H 1 .78 . . 1 . . . . . . . . 1379 1 714 . 1 1 116 116 ILE HG23 H 1 .78 . . 1 . . . . . . . . 1379 1 715 . 1 1 116 116 ILE HD11 H 1 .6 . . 1 . . . . . . . . 1379 1 716 . 1 1 116 116 ILE HD12 H 1 .6 . . 1 . . . . . . . . 1379 1 717 . 1 1 116 116 ILE HD13 H 1 .6 . . 1 . . . . . . . . 1379 1 718 . 1 1 117 117 VAL H H 1 7.63 . . 1 . . . . . . . . 1379 1 719 . 1 1 117 117 VAL HA H 1 4.42 . . 1 . . . . . . . . 1379 1 720 . 1 1 117 117 VAL HB H 1 2.14 . . 1 . . . . . . . . 1379 1 721 . 1 1 117 117 VAL HG11 H 1 .72 . . 2 . . . . . . . . 1379 1 722 . 1 1 117 117 VAL HG12 H 1 .72 . . 2 . . . . . . . . 1379 1 723 . 1 1 117 117 VAL HG13 H 1 .72 . . 2 . . . . . . . . 1379 1 724 . 1 1 117 117 VAL HG21 H 1 .9 . . 2 . . . . . . . . 1379 1 725 . 1 1 117 117 VAL HG22 H 1 .9 . . 2 . . . . . . . . 1379 1 726 . 1 1 117 117 VAL HG23 H 1 .9 . . 2 . . . . . . . . 1379 1 727 . 1 1 118 118 ASN H H 1 8.47 . . 1 . . . . . . . . 1379 1 728 . 1 1 118 118 ASN HA H 1 3.78 . . 1 . . . . . . . . 1379 1 729 . 1 1 118 118 ASN HB2 H 1 2.3 . . 2 . . . . . . . . 1379 1 730 . 1 1 118 118 ASN HB3 H 1 2.49 . . 2 . . . . . . . . 1379 1 731 . 1 1 118 118 ASN HD21 H 1 7.14 . . 1 . . . . . . . . 1379 1 732 . 1 1 118 118 ASN HD22 H 1 6 . . 1 . . . . . . . . 1379 1 733 . 1 1 119 119 GLU H H 1 8.77 . . 1 . . . . . . . . 1379 1 734 . 1 1 119 119 GLU HA H 1 3.4 . . 1 . . . . . . . . 1379 1 735 . 1 1 119 119 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 1379 1 736 . 1 1 119 119 GLU HB3 H 1 2.39 . . 2 . . . . . . . . 1379 1 737 . 1 1 119 119 GLU HG2 H 1 2.03 . . 1 . . . . . . . . 1379 1 738 . 1 1 119 119 GLU HG3 H 1 2.03 . . 1 . . . . . . . . 1379 1 739 . 1 1 120 120 MET H H 1 7.42 . . 1 . . . . . . . . 1379 1 740 . 1 1 120 120 MET HA H 1 4.52 . . 1 . . . . . . . . 1379 1 741 . 1 1 120 120 MET HB2 H 1 2.04 . . 1 . . . . . . . . 1379 1 742 . 1 1 120 120 MET HB3 H 1 2.04 . . 1 . . . . . . . . 1379 1 743 . 1 1 120 120 MET HG2 H 1 2.57 . . 2 . . . . . . . . 1379 1 744 . 1 1 120 120 MET HG3 H 1 2.68 . . 2 . . . . . . . . 1379 1 745 . 1 1 121 121 PRO HA H 1 4.46 . . 1 . . . . . . . . 1379 1 746 . 1 1 121 121 PRO HD2 H 1 3.49 . . 2 . . . . . . . . 1379 1 747 . 1 1 121 121 PRO HD3 H 1 4.39 . . 2 . . . . . . . . 1379 1 748 . 1 1 122 122 ASP H H 1 8.05 . . 1 . . . . . . . . 1379 1 749 . 1 1 122 122 ASP HA H 1 4.55 . . 1 . . . . . . . . 1379 1 750 . 1 1 122 122 ASP HB2 H 1 2.41 . . 2 . . . . . . . . 1379 1 751 . 1 1 122 122 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 1379 1 752 . 1 1 123 123 ASN H H 1 10.49 . . 1 . . . . . . . . 1379 1 753 . 1 1 123 123 ASN HA H 1 4.04 . . 1 . . . . . . . . 1379 1 754 . 1 1 123 123 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 1379 1 755 . 1 1 123 123 ASN HB3 H 1 2.9 . . 2 . . . . . . . . 1379 1 756 . 1 1 124 124 ALA H H 1 9.21 . . 1 . . . . . . . . 1379 1 757 . 1 1 124 124 ALA HA H 1 4.54 . . 1 . . . . . . . . 1379 1 758 . 1 1 124 124 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 1379 1 759 . 1 1 124 124 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 1379 1 760 . 1 1 124 124 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 1379 1 761 . 1 1 125 125 PRO HA H 1 4.29 . . 1 . . . . . . . . 1379 1 762 . 1 1 125 125 PRO HB2 H 1 2.02 . . 2 . . . . . . . . 1379 1 763 . 1 1 125 125 PRO HB3 H 1 2.42 . . 2 . . . . . . . . 1379 1 764 . 1 1 125 125 PRO HG2 H 1 2.18 . . 1 . . . . . . . . 1379 1 765 . 1 1 125 125 PRO HG3 H 1 2.18 . . 1 . . . . . . . . 1379 1 766 . 1 1 125 125 PRO HD2 H 1 4.15 . . 2 . . . . . . . . 1379 1 767 . 1 1 125 125 PRO HD3 H 1 4.21 . . 2 . . . . . . . . 1379 1 768 . 1 1 126 126 GLU H H 1 10.32 . . 1 . . . . . . . . 1379 1 769 . 1 1 126 126 GLU HA H 1 4.07 . . 1 . . . . . . . . 1379 1 770 . 1 1 126 126 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 1379 1 771 . 1 1 126 126 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 1379 1 772 . 1 1 126 126 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 1379 1 773 . 1 1 126 126 GLU HG3 H 1 2.97 . . 2 . . . . . . . . 1379 1 774 . 1 1 127 127 CYS H H 1 7.07 . . 1 . . . . . . . . 1379 1 775 . 1 1 127 127 CYS HA H 1 3.6 . . 1 . . . . . . . . 1379 1 776 . 1 1 127 127 CYS HB2 H 1 2.6 . . 2 . . . . . . . . 1379 1 777 . 1 1 127 127 CYS HB3 H 1 3.31 . . 2 . . . . . . . . 1379 1 778 . 1 1 127 127 CYS HG H 1 1.9 . . 1 . . . . . . . . 1379 1 779 . 1 1 128 128 LYS H H 1 6.91 . . 1 . . . . . . . . 1379 1 780 . 1 1 128 128 LYS HA H 1 3.73 . . 1 . . . . . . . . 1379 1 781 . 1 1 128 128 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 1379 1 782 . 1 1 128 128 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 1379 1 783 . 1 1 128 128 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 1379 1 784 . 1 1 128 128 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 1379 1 785 . 1 1 128 128 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 1379 1 786 . 1 1 128 128 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 1379 1 787 . 1 1 128 128 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 1379 1 788 . 1 1 128 128 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 1379 1 789 . 1 1 129 129 GLU H H 1 8.37 . . 1 . . . . . . . . 1379 1 790 . 1 1 129 129 GLU HA H 1 3.97 . . 1 . . . . . . . . 1379 1 791 . 1 1 129 129 GLU HB2 H 1 2.01 . . 1 . . . . . . . . 1379 1 792 . 1 1 129 129 GLU HB3 H 1 2.01 . . 1 . . . . . . . . 1379 1 793 . 1 1 129 129 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 1379 1 794 . 1 1 129 129 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 1379 1 795 . 1 1 130 130 LEU H H 1 7.33 . . 1 . . . . . . . . 1379 1 796 . 1 1 130 130 LEU HA H 1 4.18 . . 1 . . . . . . . . 1379 1 797 . 1 1 130 130 LEU HG H 1 1.33 . . 1 . . . . . . . . 1379 1 798 . 1 1 130 130 LEU HD11 H 1 .67 . . 2 . . . . . . . . 1379 1 799 . 1 1 130 130 LEU HD12 H 1 .67 . . 2 . . . . . . . . 1379 1 800 . 1 1 130 130 LEU HD13 H 1 .67 . . 2 . . . . . . . . 1379 1 801 . 1 1 130 130 LEU HD21 H 1 .71 . . 2 . . . . . . . . 1379 1 802 . 1 1 130 130 LEU HD22 H 1 .71 . . 2 . . . . . . . . 1379 1 803 . 1 1 130 130 LEU HD23 H 1 .71 . . 2 . . . . . . . . 1379 1 804 . 1 1 131 131 GLY H H 1 8 . . 1 . . . . . . . . 1379 1 805 . 1 1 131 131 GLY HA2 H 1 3.45 . . 2 . . . . . . . . 1379 1 806 . 1 1 131 131 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 1379 1 807 . 1 1 132 132 GLU H H 1 8.32 . . 1 . . . . . . . . 1379 1 808 . 1 1 132 132 GLU HA H 1 3.7 . . 1 . . . . . . . . 1379 1 809 . 1 1 132 132 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 1379 1 810 . 1 1 132 132 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 1379 1 811 . 1 1 132 132 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 1379 1 812 . 1 1 132 132 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 1379 1 813 . 1 1 133 133 ALA H H 1 7.84 . . 1 . . . . . . . . 1379 1 814 . 1 1 133 133 ALA HA H 1 4.01 . . 1 . . . . . . . . 1379 1 815 . 1 1 133 133 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 1379 1 816 . 1 1 133 133 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 1379 1 817 . 1 1 133 133 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 1379 1 818 . 1 1 134 134 ALA H H 1 8.28 . . 1 . . . . . . . . 1379 1 819 . 1 1 134 134 ALA HA H 1 3.77 . . 1 . . . . . . . . 1379 1 820 . 1 1 134 134 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 1379 1 821 . 1 1 134 134 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 1379 1 822 . 1 1 134 134 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 1379 1 823 . 1 1 135 135 ALA H H 1 7.82 . . 1 . . . . . . . . 1379 1 824 . 1 1 135 135 ALA HA H 1 3.79 . . 1 . . . . . . . . 1379 1 825 . 1 1 135 135 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 1379 1 826 . 1 1 135 135 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 1379 1 827 . 1 1 135 135 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 1379 1 828 . 1 1 136 136 LYS H H 1 7.13 . . 1 . . . . . . . . 1379 1 829 . 1 1 136 136 LYS HA H 1 4.4 . . 1 . . . . . . . . 1379 1 830 . 1 1 136 136 LYS HB2 H 1 1.65 . . 2 . . . . . . . . 1379 1 831 . 1 1 136 136 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 1379 1 832 . 1 1 136 136 LYS HG2 H 1 1.5 . . 1 . . . . . . . . 1379 1 833 . 1 1 136 136 LYS HG3 H 1 1.5 . . 1 . . . . . . . . 1379 1 834 . 1 1 136 136 LYS HD2 H 1 1.95 . . 1 . . . . . . . . 1379 1 835 . 1 1 136 136 LYS HD3 H 1 1.95 . . 1 . . . . . . . . 1379 1 836 . 1 1 136 136 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 1379 1 837 . 1 1 136 136 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 1379 1 838 . 1 1 137 137 ALA H H 1 7.04 . . 1 . . . . . . . . 1379 1 839 . 1 1 137 137 ALA HA H 1 3.99 . . 1 . . . . . . . . 1379 1 840 . 1 1 137 137 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 1379 1 841 . 1 1 137 137 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 1379 1 842 . 1 1 137 137 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 1379 1 stop_ save_