data_4328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4328 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Human Rad51(1-114) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-04-03 _Entry.Accession_date 1999-04-05 _Entry.Last_release_date 1999-09-13 _Entry.Original_release_date 1999-09-13 _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 Hideki Aihara . . . 4328 2 Yutaka Ito . . . 4328 3 Hitoshi Kurumizaka . . . 4328 4 Shigeyuki Yokoyama . . . 4328 5 Takehiko Shibata . . . 4328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 4328 '15N chemical shifts' 111 4328 '1H chemical shifts' 628 4328 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 . . 1999-09-13 1999-04-03 original author . 4328 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4328 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99321989 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Aihara, H., Ito, Y., Kurumizaka, H., Yokoyama, S., and Shibata, T., "The N-terminal Domain of the Human Rad51 Protein Binds DNA; Structure and a DNA Binding Surface as Revealed by NMR," J. Mol. Biol. 290, 495-504. ; _Citation.Title ; The N-terminal Domain of the Human Rad51 Protein Binds DNA; Structure and a DNA Binding Surface as Revealed by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 290 _Citation.Journal_issue na _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 495 _Citation.Page_last 504 _Citation.Year 1999 _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 Hideki Aihara . . . 4328 1 2 Yutaka Ito . . . 4328 1 3 Hitoshi Kurumizaka . . . 4328 1 4 Shigeyuki Yokoyama . . . 4328 1 5 Takehiko Shibata . . . 4328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HsRad51(1-114) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HsRad51(1-114) _Assembly.Entry_ID 4328 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of HsRad51' _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 . _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 4328 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 HsRad51(1-114) 1 $HsRad51(1-114) . . . native . . . . . 4328 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1B22 . 'A Chain A, Rad51 (N-Terminal Domain)' . . . . 4328 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HsRad51(1-114) abbreviation 4328 1 'N-terminal domain of HsRad51' system 4328 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA recombinase' 4328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HsRad51(1-114) _Entity.Sf_category entity _Entity.Sf_framecode HsRad51(1-114) _Entity.Entry_ID 4328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Rad51 protein(1-114)' _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 ; MAMQMQLEANADTSVEEESF GPQPISRLEQCGINANDVKK LEEAGFHTVEAVAYAPKKEL INIKGISEAKADKILAEAAK LVPMGFTTATEFHQRRSEII QITTGSKELDKLLQ ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 11046 . hsRad51 . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 2 no PDB 1B22 . "Rad51 (N-Terminal Domain)" . . . . . 100.00 114 100.00 100.00 6.23e-76 . . . . 4328 1 3 no DBJ BAA02718 . "Rad51 protein [Mus musculus]" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 4 no DBJ BAA02961 . "MmRad51 [Mus musculus]" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 5 no DBJ BAA02962 . "HsRad51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 4.91e-73 . . . . 4328 1 6 no DBJ BAA03189 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 7 no DBJ BAB27489 . "unnamed protein product [Mus musculus]" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 8 no EMBL CAA69384 . "rad51 [Cricetulus griseus]" . . . . . 100.00 339 99.12 100.00 3.47e-72 . . . . 4328 1 9 no EMBL CAG38796 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 10 no GB AAC28561 . "Rad51 [Oryctolagus cuniculus]" . . . . . 100.00 339 97.37 98.25 7.70e-71 . . . . 4328 1 11 no GB AAD49705 . "Rad51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 12 no GB AAF61901 . "RAD51 [Homo sapiens]" . . . . . 65.79 75 100.00 100.00 1.29e-45 . . . . 4328 1 13 no GB AAF69145 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 14 no GB AAH27384 . "RAD51 homolog (S. cerevisiae) [Mus musculus]" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 15 no PRF 2102359A . "RAD51-like protein" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 16 no REF NP_001003043 . "DNA repair protein RAD51 homolog 1 [Canis lupus familiaris]" . . . . . 100.00 339 98.25 99.12 1.64e-71 . . . . 4328 1 17 no REF NP_001039644 . "DNA repair protein RAD51 homolog 1 [Bos taurus]" . . . . . 100.00 339 99.12 99.12 2.35e-72 . . . . 4328 1 18 no REF NP_001075493 . "DNA repair protein RAD51 homolog 1 [Oryctolagus cuniculus]" . . . . . 100.00 339 97.37 98.25 7.70e-71 . . . . 4328 1 19 no REF NP_001102674 . "DNA repair protein RAD51 homolog 1 [Rattus norvegicus]" . . . . . 100.00 339 99.12 100.00 1.58e-72 . . . . 4328 1 20 no REF NP_001116653 . "DNA repair protein RAD51 homolog 1 [Sus scrofa]" . . . . . 100.00 339 97.37 99.12 3.39e-71 . . . . 4328 1 21 no SP O77507 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 97.37 98.25 7.70e-71 . . . . 4328 1 22 no SP P70099 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 99.12 100.00 3.47e-72 . . . . 4328 1 23 no SP Q06609 . "RecName: Full=DNA repair protein RAD51 homolog 1; Short=HsRAD51; Short=hRAD51; AltName: Full=RAD51 homolog A" . . . . . 100.00 339 100.00 100.00 4.96e-73 . . . . 4328 1 24 no SP Q08297 . "RecName: Full=DNA repair protein RAD51 homolog 1; AltName: Full=RAD51 homolog A" . . . . . 100.00 339 97.37 99.12 3.54e-71 . . . . 4328 1 25 no SP Q2KJ94 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 99.12 99.12 2.35e-72 . . . . 4328 1 26 no TPG DAA25435 . "TPA: DNA repair protein RAD51 homolog 1 [Bos taurus]" . . . . . 100.00 339 99.12 99.12 2.35e-72 . . . . 4328 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HsRad51(1-114) abbreviation 4328 1 'Human Rad51 protein(1-114)' common 4328 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 . 4328 1 2 . ALA . 4328 1 3 . MET . 4328 1 4 . GLN . 4328 1 5 . MET . 4328 1 6 . GLN . 4328 1 7 . LEU . 4328 1 8 . GLU . 4328 1 9 . ALA . 4328 1 10 . ASN . 4328 1 11 . ALA . 4328 1 12 . ASP . 4328 1 13 . THR . 4328 1 14 . SER . 4328 1 15 . VAL . 4328 1 16 . GLU . 4328 1 17 . GLU . 4328 1 18 . GLU . 4328 1 19 . SER . 4328 1 20 . PHE . 4328 1 21 . GLY . 4328 1 22 . PRO . 4328 1 23 . GLN . 4328 1 24 . PRO . 4328 1 25 . ILE . 4328 1 26 . SER . 4328 1 27 . ARG . 4328 1 28 . LEU . 4328 1 29 . GLU . 4328 1 30 . GLN . 4328 1 31 . CYS . 4328 1 32 . GLY . 4328 1 33 . ILE . 4328 1 34 . ASN . 4328 1 35 . ALA . 4328 1 36 . ASN . 4328 1 37 . ASP . 4328 1 38 . VAL . 4328 1 39 . LYS . 4328 1 40 . LYS . 4328 1 41 . LEU . 4328 1 42 . GLU . 4328 1 43 . GLU . 4328 1 44 . ALA . 4328 1 45 . GLY . 4328 1 46 . PHE . 4328 1 47 . HIS . 4328 1 48 . THR . 4328 1 49 . VAL . 4328 1 50 . GLU . 4328 1 51 . ALA . 4328 1 52 . VAL . 4328 1 53 . ALA . 4328 1 54 . TYR . 4328 1 55 . ALA . 4328 1 56 . PRO . 4328 1 57 . LYS . 4328 1 58 . LYS . 4328 1 59 . GLU . 4328 1 60 . LEU . 4328 1 61 . ILE . 4328 1 62 . ASN . 4328 1 63 . ILE . 4328 1 64 . LYS . 4328 1 65 . GLY . 4328 1 66 . ILE . 4328 1 67 . SER . 4328 1 68 . GLU . 4328 1 69 . ALA . 4328 1 70 . LYS . 4328 1 71 . ALA . 4328 1 72 . ASP . 4328 1 73 . LYS . 4328 1 74 . ILE . 4328 1 75 . LEU . 4328 1 76 . ALA . 4328 1 77 . GLU . 4328 1 78 . ALA . 4328 1 79 . ALA . 4328 1 80 . LYS . 4328 1 81 . LEU . 4328 1 82 . VAL . 4328 1 83 . PRO . 4328 1 84 . MET . 4328 1 85 . GLY . 4328 1 86 . PHE . 4328 1 87 . THR . 4328 1 88 . THR . 4328 1 89 . ALA . 4328 1 90 . THR . 4328 1 91 . GLU . 4328 1 92 . PHE . 4328 1 93 . HIS . 4328 1 94 . GLN . 4328 1 95 . ARG . 4328 1 96 . ARG . 4328 1 97 . SER . 4328 1 98 . GLU . 4328 1 99 . ILE . 4328 1 100 . ILE . 4328 1 101 . GLN . 4328 1 102 . ILE . 4328 1 103 . THR . 4328 1 104 . THR . 4328 1 105 . GLY . 4328 1 106 . SER . 4328 1 107 . LYS . 4328 1 108 . GLU . 4328 1 109 . LEU . 4328 1 110 . ASP . 4328 1 111 . LYS . 4328 1 112 . LEU . 4328 1 113 . LEU . 4328 1 114 . GLN . 4328 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 4328 1 . ALA 2 2 4328 1 . MET 3 3 4328 1 . GLN 4 4 4328 1 . MET 5 5 4328 1 . GLN 6 6 4328 1 . LEU 7 7 4328 1 . GLU 8 8 4328 1 . ALA 9 9 4328 1 . ASN 10 10 4328 1 . ALA 11 11 4328 1 . ASP 12 12 4328 1 . THR 13 13 4328 1 . SER 14 14 4328 1 . VAL 15 15 4328 1 . GLU 16 16 4328 1 . GLU 17 17 4328 1 . GLU 18 18 4328 1 . SER 19 19 4328 1 . PHE 20 20 4328 1 . GLY 21 21 4328 1 . PRO 22 22 4328 1 . GLN 23 23 4328 1 . PRO 24 24 4328 1 . ILE 25 25 4328 1 . SER 26 26 4328 1 . ARG 27 27 4328 1 . LEU 28 28 4328 1 . GLU 29 29 4328 1 . GLN 30 30 4328 1 . CYS 31 31 4328 1 . GLY 32 32 4328 1 . ILE 33 33 4328 1 . ASN 34 34 4328 1 . ALA 35 35 4328 1 . ASN 36 36 4328 1 . ASP 37 37 4328 1 . VAL 38 38 4328 1 . LYS 39 39 4328 1 . LYS 40 40 4328 1 . LEU 41 41 4328 1 . GLU 42 42 4328 1 . GLU 43 43 4328 1 . ALA 44 44 4328 1 . GLY 45 45 4328 1 . PHE 46 46 4328 1 . HIS 47 47 4328 1 . THR 48 48 4328 1 . VAL 49 49 4328 1 . GLU 50 50 4328 1 . ALA 51 51 4328 1 . VAL 52 52 4328 1 . ALA 53 53 4328 1 . TYR 54 54 4328 1 . ALA 55 55 4328 1 . PRO 56 56 4328 1 . LYS 57 57 4328 1 . LYS 58 58 4328 1 . GLU 59 59 4328 1 . LEU 60 60 4328 1 . ILE 61 61 4328 1 . ASN 62 62 4328 1 . ILE 63 63 4328 1 . LYS 64 64 4328 1 . GLY 65 65 4328 1 . ILE 66 66 4328 1 . SER 67 67 4328 1 . GLU 68 68 4328 1 . ALA 69 69 4328 1 . LYS 70 70 4328 1 . ALA 71 71 4328 1 . ASP 72 72 4328 1 . LYS 73 73 4328 1 . ILE 74 74 4328 1 . LEU 75 75 4328 1 . ALA 76 76 4328 1 . GLU 77 77 4328 1 . ALA 78 78 4328 1 . ALA 79 79 4328 1 . LYS 80 80 4328 1 . LEU 81 81 4328 1 . VAL 82 82 4328 1 . PRO 83 83 4328 1 . MET 84 84 4328 1 . GLY 85 85 4328 1 . PHE 86 86 4328 1 . THR 87 87 4328 1 . THR 88 88 4328 1 . ALA 89 89 4328 1 . THR 90 90 4328 1 . GLU 91 91 4328 1 . PHE 92 92 4328 1 . HIS 93 93 4328 1 . GLN 94 94 4328 1 . ARG 95 95 4328 1 . ARG 96 96 4328 1 . SER 97 97 4328 1 . GLU 98 98 4328 1 . ILE 99 99 4328 1 . ILE 100 100 4328 1 . GLN 101 101 4328 1 . ILE 102 102 4328 1 . THR 103 103 4328 1 . THR 104 104 4328 1 . GLY 105 105 4328 1 . SER 106 106 4328 1 . LYS 107 107 4328 1 . GLU 108 108 4328 1 . LEU 109 109 4328 1 . ASP 110 110 4328 1 . LYS 111 111 4328 1 . LEU 112 112 4328 1 . LEU 113 113 4328 1 . GLN 114 114 4328 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 4328 _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 $HsRad51(1-114) . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4328 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 4328 _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 $HsRad51(1-114) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4328 _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 'Human Rad51 protein(1-114)' '[U-95% 13C, U-95% 15N]' . . 1 $HsRad51(1-114) . . . 1.0 2.0 mM . . . . 4328 1 2 Sodium_Phosphate . . . . . . . 20.0 . . mM . . . . 4328 1 3 NaCl . . . . . . . 100 . . mM . . . . 4328 1 4 DTT . . . . . . . 2 . . mM . . . . 4328 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 4328 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 4328 _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 6.5 0.1 n/a 4328 1 temperature 303 0.1 K 4328 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4328 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . 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 4328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4328 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX400 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4328 _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 DRX600 . 600 . . . 4328 1 2 NMR_spectrometer_2 Bruker ARX400 . 400 . . . 4328 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 4328 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 4328 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4328 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . . . . . . . 4328 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4328 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4328 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA CA C 13 52.44500 0.05 . 1 . . . . . . . . 4328 1 2 . 1 1 2 2 ALA CB C 13 18.94100 0.05 . 1 . . . . . . . . 4328 1 3 . 1 1 2 2 ALA N N 15 131.4864 0.05 . 1 . . . . . . . . 4328 1 4 . 1 1 2 2 ALA H H 1 8.216382 0.02 . 1 . . . . . . . . 4328 1 5 . 1 1 2 2 ALA HA H 1 4.231000 0.02 . 1 . . . . . . . . 4328 1 6 . 1 1 2 2 ALA HB1 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 7 . 1 1 2 2 ALA HB2 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 8 . 1 1 2 2 ALA HB3 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 9 . 1 1 3 3 MET CA C 13 55.34600 0.05 . 1 . . . . . . . . 4328 1 10 . 1 1 3 3 MET CB C 13 32.76300 0.05 . 1 . . . . . . . . 4328 1 11 . 1 1 3 3 MET CG C 13 31.78200 0.05 . 1 . . . . . . . . 4328 1 12 . 1 1 3 3 MET N N 15 120.9830 0.02 . 1 . . . . . . . . 4328 1 13 . 1 1 3 3 MET H H 1 8.360238 0.02 . 1 . . . . . . . . 4328 1 14 . 1 1 3 3 MET HA H 1 4.429000 0.02 . 1 . . . . . . . . 4328 1 15 . 1 1 3 3 MET HB2 H 1 2.023000 0.02 . 2 . . . . . . . . 4328 1 16 . 1 1 3 3 MET HG2 H 1 2.553000 0.02 . 2 . . . . . . . . 4328 1 17 . 1 1 4 4 GLN CA C 13 55.64200 0.05 . 1 . . . . . . . . 4328 1 18 . 1 1 4 4 GLN CB C 13 29.14100 0.05 . 1 . . . . . . . . 4328 1 19 . 1 1 4 4 GLN CG C 13 33.64500 0.05 . 1 . . . . . . . . 4328 1 20 . 1 1 4 4 GLN N N 15 123.5499 0.05 . 1 . . . . . . . . 4328 1 21 . 1 1 4 4 GLN H H 1 8.404408 0.02 . 1 . . . . . . . . 4328 1 22 . 1 1 4 4 GLN HA H 1 4.326000 0.02 . 1 . . . . . . . . 4328 1 23 . 1 1 4 4 GLN HB2 H 1 1.987000 0.02 . 2 . . . . . . . . 4328 1 24 . 1 1 4 4 GLN HG2 H 1 2.347000 0.02 . 2 . . . . . . . . 4328 1 25 . 1 1 5 5 MET CA C 13 55.45900 0.05 . 1 . . . . . . . . 4328 1 26 . 1 1 5 5 MET CB C 13 33.03700 0.05 . 1 . . . . . . . . 4328 1 27 . 1 1 5 5 MET N N 15 123.9954 0.05 . 1 . . . . . . . . 4328 1 28 . 1 1 5 5 MET H H 1 8.431494 0.02 . 1 . . . . . . . . 4328 1 29 . 1 1 6 6 GLN CA C 13 55.54500 0.05 . 1 . . . . . . . . 4328 1 30 . 1 1 6 6 GLN CB C 13 28.49700 0.05 . 1 . . . . . . . . 4328 1 31 . 1 1 6 6 GLN CG C 13 33.64600 0.05 . 1 . . . . . . . . 4328 1 32 . 1 1 6 6 GLN N N 15 123.3111 0.05 . 1 . . . . . . . . 4328 1 33 . 1 1 6 6 GLN H H 1 8.316216 0.02 . 1 . . . . . . . . 4328 1 34 . 1 1 6 6 GLN HA H 1 4.426000 0.02 . 1 . . . . . . . . 4328 1 35 . 1 1 6 6 GLN HB2 H 1 2.037848 0.02 . 2 . . . . . . . . 4328 1 36 . 1 1 6 6 GLN HG2 H 1 2.350664 0.02 . 2 . . . . . . . . 4328 1 37 . 1 1 7 7 LEU CA C 13 55.24900 0.05 . 1 . . . . . . . . 4328 1 38 . 1 1 7 7 LEU CB C 13 42.22700 0.05 . 1 . . . . . . . . 4328 1 39 . 1 1 7 7 LEU N N 15 125.6151 0.05 . 1 . . . . . . . . 4328 1 40 . 1 1 7 7 LEU H H 1 8.231561 0.02 . 1 . . . . . . . . 4328 1 41 . 1 1 7 7 LEU HA H 1 4.321000 0.02 . 1 . . . . . . . . 4328 1 42 . 1 1 7 7 LEU HB2 H 1 1.612000 0.02 . 2 . . . . . . . . 4328 1 43 . 1 1 7 7 LEU HD11 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 44 . 1 1 7 7 LEU HD12 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 45 . 1 1 7 7 LEU HD13 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 46 . 1 1 8 8 GLU CA C 13 56.17300 0.05 . 1 . . . . . . . . 4328 1 47 . 1 1 8 8 GLU CB C 13 30.00900 0.05 . 1 . . . . . . . . 4328 1 48 . 1 1 8 8 GLU CG C 13 36.12800 0.05 . 1 . . . . . . . . 4328 1 49 . 1 1 8 8 GLU N N 15 123.4246 0.05 . 1 . . . . . . . . 4328 1 50 . 1 1 8 8 GLU H H 1 8.346175 0.02 . 1 . . . . . . . . 4328 1 51 . 1 1 8 8 GLU HA H 1 4.240000 0.02 . 1 . . . . . . . . 4328 1 52 . 1 1 8 8 GLU HB2 H 1 1.938000 0.02 . 2 . . . . . . . . 4328 1 53 . 1 1 8 8 GLU HB3 H 1 2.032000 0.02 . 2 . . . . . . . . 4328 1 54 . 1 1 8 8 GLU HG2 H 1 2.252000 0.02 . 2 . . . . . . . . 4328 1 55 . 1 1 9 9 ALA CA C 13 52.31000 0.05 . 1 . . . . . . . . 4328 1 56 . 1 1 9 9 ALA CB C 13 18.99900 0.05 . 1 . . . . . . . . 4328 1 57 . 1 1 9 9 ALA N N 15 126.7645 0.05 . 1 . . . . . . . . 4328 1 58 . 1 1 9 9 ALA H H 1 8.240243 0.02 . 1 . . . . . . . . 4328 1 59 . 1 1 9 9 ALA HA H 1 4.277000 0.02 . 1 . . . . . . . . 4328 1 60 . 1 1 9 9 ALA HB1 H 1 1.359000 0.02 . 1 . . . . . . . . 4328 1 61 . 1 1 9 9 ALA HB2 H 1 1.359000 0.02 . 1 . . . . . . . . 4328 1 62 . 1 1 9 9 ALA HB3 H 1 1.359000 0.02 . 1 . . . . . . . . 4328 1 63 . 1 1 10 10 ASN CA C 13 52.80000 0.05 . 1 . . . . . . . . 4328 1 64 . 1 1 10 10 ASN CB C 13 38.71000 0.05 . 1 . . . . . . . . 4328 1 65 . 1 1 10 10 ASN N N 15 119.7978 0.05 . 1 . . . . . . . . 4328 1 66 . 1 1 10 10 ASN H H 1 8.341186 0.02 . 1 . . . . . . . . 4328 1 67 . 1 1 10 10 ASN HA H 1 4.687000 0.02 . 1 . . . . . . . . 4328 1 68 . 1 1 10 10 ASN HB2 H 1 2.802000 0.02 . 2 . . . . . . . . 4328 1 69 . 1 1 10 10 ASN HD21 H 1 6.891000 0.02 . 2 . . . . . . . . 4328 1 70 . 1 1 10 10 ASN HD22 H 1 7.568000 0.02 . 2 . . . . . . . . 4328 1 71 . 1 1 11 11 ALA CA C 13 52.42900 0.05 . 1 . . . . . . . . 4328 1 72 . 1 1 11 11 ALA CB C 13 19.16400 0.05 . 1 . . . . . . . . 4328 1 73 . 1 1 11 11 ALA N N 15 126.3081 0.05 . 1 . . . . . . . . 4328 1 74 . 1 1 11 11 ALA H H 1 8.196671 0.02 . 1 . . . . . . . . 4328 1 75 . 1 1 11 11 ALA HA H 1 4.293000 0.02 . 1 . . . . . . . . 4328 1 76 . 1 1 11 11 ALA HB1 H 1 1.368000 0.02 . 1 . . . . . . . . 4328 1 77 . 1 1 11 11 ALA HB2 H 1 1.368000 0.02 . 1 . . . . . . . . 4328 1 78 . 1 1 11 11 ALA HB3 H 1 1.368000 0.02 . 1 . . . . . . . . 4328 1 79 . 1 1 12 12 ASP CA C 13 54.06300 0.05 . 1 . . . . . . . . 4328 1 80 . 1 1 12 12 ASP CB C 13 40.88100 0.05 . 1 . . . . . . . . 4328 1 81 . 1 1 12 12 ASP N N 15 121.4582 0.05 . 1 . . . . . . . . 4328 1 82 . 1 1 12 12 ASP H H 1 8.313662 0.02 . 1 . . . . . . . . 4328 1 83 . 1 1 12 12 ASP HA H 1 4.651000 0.02 . 1 . . . . . . . . 4328 1 84 . 1 1 12 12 ASP HB2 H 1 2.616000 0.02 . 2 . . . . . . . . 4328 1 85 . 1 1 12 12 ASP HB3 H 1 2.726000 0.02 . 2 . . . . . . . . 4328 1 86 . 1 1 13 13 THR CA C 13 61.54500 0.05 . 1 . . . . . . . . 4328 1 87 . 1 1 13 13 THR CB C 13 69.36800 0.05 . 1 . . . . . . . . 4328 1 88 . 1 1 13 13 THR CG2 C 13 21.42600 0.05 . 1 . . . . . . . . 4328 1 89 . 1 1 13 13 THR N N 15 116.1785 0.05 . 1 . . . . . . . . 4328 1 90 . 1 1 13 13 THR H H 1 8.028232 0.02 . 1 . . . . . . . . 4328 1 91 . 1 1 13 13 THR HA H 1 4.341000 0.02 . 1 . . . . . . . . 4328 1 92 . 1 1 13 13 THR HB H 1 4.239000 0.02 . 1 . . . . . . . . 4328 1 93 . 1 1 13 13 THR HG21 H 1 1.192000 0.02 . 1 . . . . . . . . 4328 1 94 . 1 1 13 13 THR HG22 H 1 1.192000 0.02 . 1 . . . . . . . . 4328 1 95 . 1 1 13 13 THR HG23 H 1 1.192000 0.02 . 1 . . . . . . . . 4328 1 96 . 1 1 14 14 SER CA C 13 58.33900 0.05 . 1 . . . . . . . . 4328 1 97 . 1 1 14 14 SER CB C 13 63.50800 0.05 . 1 . . . . . . . . 4328 1 98 . 1 1 14 14 SER N N 15 120.6677 0.05 . 1 . . . . . . . . 4328 1 99 . 1 1 14 14 SER H H 1 8.352583 0.02 . 1 . . . . . . . . 4328 1 100 . 1 1 14 14 SER HA H 1 4.484000 0.02 . 1 . . . . . . . . 4328 1 101 . 1 1 14 14 SER HB2 H 1 3.866000 0.02 . 2 . . . . . . . . 4328 1 102 . 1 1 15 15 VAL CA C 13 61.90900 0.05 . 1 . . . . . . . . 4328 1 103 . 1 1 15 15 VAL CB C 13 32.54700 0.05 . 1 . . . . . . . . 4328 1 104 . 1 1 15 15 VAL CG1 C 13 20.49600 0.05 . 2 . . . . . . . . 4328 1 105 . 1 1 15 15 VAL N N 15 123.2942 0.05 . 1 . . . . . . . . 4328 1 106 . 1 1 15 15 VAL H H 1 8.057923 0.02 . 1 . . . . . . . . 4328 1 107 . 1 1 15 15 VAL HA H 1 4.138000 0.02 . 1 . . . . . . . . 4328 1 108 . 1 1 15 15 VAL HB H 1 2.085000 0.02 . 1 . . . . . . . . 4328 1 109 . 1 1 15 15 VAL HG21 H 1 0.8990000 0.02 . 2 . . . . . . . . 4328 1 110 . 1 1 15 15 VAL HG22 H 1 0.8990000 0.02 . 2 . . . . . . . . 4328 1 111 . 1 1 15 15 VAL HG23 H 1 0.8990000 0.02 . 2 . . . . . . . . 4328 1 112 . 1 1 16 16 GLU CA C 13 56.24700 0.05 . 1 . . . . . . . . 4328 1 113 . 1 1 16 16 GLU CB C 13 30.10700 0.05 . 1 . . . . . . . . 4328 1 114 . 1 1 16 16 GLU CG C 13 36.11800 0.05 . 1 . . . . . . . . 4328 1 115 . 1 1 16 16 GLU N N 15 126.3041 0.05 . 1 . . . . . . . . 4328 1 116 . 1 1 16 16 GLU H H 1 8.384419 0.02 . 1 . . . . . . . . 4328 1 117 . 1 1 16 16 GLU HA H 1 4.277000 0.02 . 1 . . . . . . . . 4328 1 118 . 1 1 16 16 GLU HB2 H 1 1.892000 0.02 . 2 . . . . . . . . 4328 1 119 . 1 1 16 16 GLU HB3 H 1 2.027000 0.02 . 2 . . . . . . . . 4328 1 120 . 1 1 16 16 GLU HG2 H 1 2.244000 0.02 . 2 . . . . . . . . 4328 1 121 . 1 1 17 17 GLU CA C 13 56.38300 0.05 . 1 . . . . . . . . 4328 1 122 . 1 1 17 17 GLU CB C 13 30.23500 0.05 . 1 . . . . . . . . 4328 1 123 . 1 1 17 17 GLU CG C 13 36.15100 0.05 . 1 . . . . . . . . 4328 1 124 . 1 1 17 17 GLU N N 15 124.0888 0.05 . 1 . . . . . . . . 4328 1 125 . 1 1 17 17 GLU H H 1 8.351677 0.02 . 1 . . . . . . . . 4328 1 126 . 1 1 17 17 GLU HA H 1 4.230000 0.02 . 1 . . . . . . . . 4328 1 127 . 1 1 17 17 GLU HB2 H 1 1.918000 0.02 . 2 . . . . . . . . 4328 1 128 . 1 1 17 17 GLU HB3 H 1 2.024000 0.02 . 2 . . . . . . . . 4328 1 129 . 1 1 17 17 GLU HG2 H 1 2.245000 0.02 . 2 . . . . . . . . 4328 1 130 . 1 1 18 18 GLU CA C 13 56.39400 0.05 . 1 . . . . . . . . 4328 1 131 . 1 1 18 18 GLU CB C 13 30.17700 0.05 . 1 . . . . . . . . 4328 1 132 . 1 1 18 18 GLU CG C 13 36.14600 0.05 . 1 . . . . . . . . 4328 1 133 . 1 1 18 18 GLU N N 15 124.0862 0.05 . 1 . . . . . . . . 4328 1 134 . 1 1 18 18 GLU H H 1 8.389320 0.02 . 1 . . . . . . . . 4328 1 135 . 1 1 18 18 GLU HA H 1 4.230000 0.02 . 1 . . . . . . . . 4328 1 136 . 1 1 18 18 GLU HB2 H 1 1.915000 0.02 . 2 . . . . . . . . 4328 1 137 . 1 1 18 18 GLU HG2 H 1 2.191000 0.02 . 2 . . . . . . . . 4328 1 138 . 1 1 19 19 SER CA C 13 57.76100 0.05 . 1 . . . . . . . . 4328 1 139 . 1 1 19 19 SER CB C 13 63.64700 0.05 . 1 . . . . . . . . 4328 1 140 . 1 1 19 19 SER N N 15 118.6621 0.05 . 1 . . . . . . . . 4328 1 141 . 1 1 19 19 SER H H 1 8.202441 0.02 . 1 . . . . . . . . 4328 1 142 . 1 1 19 19 SER HA H 1 4.396000 0.02 . 1 . . . . . . . . 4328 1 143 . 1 1 19 19 SER HB2 H 1 3.757000 0.02 . 2 . . . . . . . . 4328 1 144 . 1 1 20 20 PHE CA C 13 57.29300 0.05 . 1 . . . . . . . . 4328 1 145 . 1 1 20 20 PHE CB C 13 39.56100 0.05 . 1 . . . . . . . . 4328 1 146 . 1 1 20 20 PHE N N 15 124.0364 0.05 . 1 . . . . . . . . 4328 1 147 . 1 1 20 20 PHE H H 1 8.250000 0.02 . 1 . . . . . . . . 4328 1 148 . 1 1 20 20 PHE HA H 1 4.701000 0.02 . 1 . . . . . . . . 4328 1 149 . 1 1 20 20 PHE HB2 H 1 3.013000 0.02 . 2 . . . . . . . . 4328 1 150 . 1 1 20 20 PHE HB3 H 1 3.190000 0.02 . 2 . . . . . . . . 4328 1 151 . 1 1 20 20 PHE HD1 H 1 7.259546 0.02 . 3 . . . . . . . . 4328 1 152 . 1 1 20 20 PHE HE1 H 1 7.328160 0.02 . 3 . . . . . . . . 4328 1 153 . 1 1 21 21 GLY CA C 13 44.57600 0.05 . 1 . . . . . . . . 4328 1 154 . 1 1 21 21 GLY N N 15 112.3273 0.05 . 1 . . . . . . . . 4328 1 155 . 1 1 21 21 GLY H H 1 8.143128 0.02 . 1 . . . . . . . . 4328 1 156 . 1 1 21 21 GLY HA2 H 1 4.062000 0.02 . 2 . . . . . . . . 4328 1 157 . 1 1 22 22 PRO CA C 13 62.41400 0.05 . 1 . . . . . . . . 4328 1 158 . 1 1 22 22 PRO CB C 13 32.38300 0.05 . 1 . . . . . . . . 4328 1 159 . 1 1 22 22 PRO CG C 13 27.20600 0.05 . 1 . . . . . . . . 4328 1 160 . 1 1 22 22 PRO HA H 1 4.597907 0.02 . 1 . . . . . . . . 4328 1 161 . 1 1 22 22 PRO HB2 H 1 2.315792 0.02 . 2 . . . . . . . . 4328 1 162 . 1 1 22 22 PRO HB3 H 1 1.901236 0.02 . 2 . . . . . . . . 4328 1 163 . 1 1 22 22 PRO HG2 H 1 1.988662 0.02 . 2 . . . . . . . . 4328 1 164 . 1 1 22 22 PRO HD2 H 1 3.581459 0.02 . 2 . . . . . . . . 4328 1 165 . 1 1 23 23 GLN CA C 13 53.32500 0.05 . 1 . . . . . . . . 4328 1 166 . 1 1 23 23 GLN CB C 13 30.63200 0.05 . 1 . . . . . . . . 4328 1 167 . 1 1 23 23 GLN N N 15 126.5113 0.05 . 1 . . . . . . . . 4328 1 168 . 1 1 23 23 GLN H H 1 10.09408 0.02 . 1 . . . . . . . . 4328 1 169 . 1 1 23 23 GLN HA H 1 4.742000 0.02 . 1 . . . . . . . . 4328 1 170 . 1 1 23 23 GLN HB2 H 1 1.979776 0.02 . 2 . . . . . . . . 4328 1 171 . 1 1 23 23 GLN HG2 H 1 2.664149 0.02 . 2 . . . . . . . . 4328 1 172 . 1 1 23 23 GLN HE21 H 1 6.631000 0.02 . 2 . . . . . . . . 4328 1 173 . 1 1 23 23 GLN HE22 H 1 7.887000 0.02 . 2 . . . . . . . . 4328 1 174 . 1 1 24 24 PRO CA C 13 62.78200 0.05 . 1 . . . . . . . . 4328 1 175 . 1 1 24 24 PRO CB C 13 31.85400 0.05 . 1 . . . . . . . . 4328 1 176 . 1 1 24 24 PRO CG C 13 27.46600 0.05 . 1 . . . . . . . . 4328 1 177 . 1 1 24 24 PRO CD C 13 50.59200 0.05 . 1 . . . . . . . . 4328 1 178 . 1 1 24 24 PRO HA H 1 4.556068 0.02 . 1 . . . . . . . . 4328 1 179 . 1 1 24 24 PRO HB2 H 1 2.415094 0.02 . 1 . . . . . . . . 4328 1 180 . 1 1 24 24 PRO HB3 H 1 2.181225 0.02 . 2 . . . . . . . . 4328 1 181 . 1 1 24 24 PRO HG2 H 1 2.108035 0.02 . 2 . . . . . . . . 4328 1 182 . 1 1 24 24 PRO HD2 H 1 3.957858 0.02 . 2 . . . . . . . . 4328 1 183 . 1 1 25 25 ILE CA C 13 62.93600 0.05 . 2 . . . . . . . . 4328 1 184 . 1 1 25 25 ILE CB C 13 39.12000 0.05 . 1 . . . . . . . . 4328 1 185 . 1 1 25 25 ILE CG1 C 13 29.38200 0.05 . 1 . . . . . . . . 4328 1 186 . 1 1 25 25 ILE CG2 C 13 16.28300 0.05 . 1 . . . . . . . . 4328 1 187 . 1 1 25 25 ILE N N 15 124.5189 0.05 . 1 . . . . . . . . 4328 1 188 . 1 1 25 25 ILE H H 1 7.551565 0.02 . 1 . . . . . . . . 4328 1 189 . 1 1 25 25 ILE HA H 1 3.819000 0.02 . 1 . . . . . . . . 4328 1 190 . 1 1 25 25 ILE HB H 1 1.158581 0.02 . 1 . . . . . . . . 4328 1 191 . 1 1 25 25 ILE HG12 H 1 1.271981 0.02 . 2 . . . . . . . . 4328 1 192 . 1 1 25 25 ILE HG13 H 1 1.386726 0.02 . 2 . . . . . . . . 4328 1 193 . 1 1 25 25 ILE HG21 H 1 0.9545676 0.02 . 1 . . . . . . . . 4328 1 194 . 1 1 25 25 ILE HG22 H 1 0.9545676 0.02 . 1 . . . . . . . . 4328 1 195 . 1 1 25 25 ILE HG23 H 1 0.9545676 0.02 . 1 . . . . . . . . 4328 1 196 . 1 1 25 25 ILE HD11 H 1 0.6914992 0.02 . 1 . . . . . . . . 4328 1 197 . 1 1 25 25 ILE HD12 H 1 0.6914992 0.02 . 1 . . . . . . . . 4328 1 198 . 1 1 25 25 ILE HD13 H 1 0.6914992 0.02 . 1 . . . . . . . . 4328 1 199 . 1 1 26 26 SER CA C 13 60.40400 0.05 . 1 . . . . . . . . 4328 1 200 . 1 1 26 26 SER CB C 13 61.93100 0.05 . 1 . . . . . . . . 4328 1 201 . 1 1 26 26 SER N N 15 117.7687 0.05 . 1 . . . . . . . . 4328 1 202 . 1 1 26 26 SER H H 1 8.031065 0.02 . 1 . . . . . . . . 4328 1 203 . 1 1 26 26 SER HA H 1 4.116000 0.02 . 1 . . . . . . . . 4328 1 204 . 1 1 26 26 SER HB2 H 1 3.959000 0.02 . 2 . . . . . . . . 4328 1 205 . 1 1 27 27 ARG CA C 13 57.96700 0.05 . 1 . . . . . . . . 4328 1 206 . 1 1 27 27 ARG CB C 13 29.51400 0.05 . 1 . . . . . . . . 4328 1 207 . 1 1 27 27 ARG CG C 13 27.44300 0.05 . 1 . . . . . . . . 4328 1 208 . 1 1 27 27 ARG CD C 13 42.50200 0.05 . 1 . . . . . . . . 4328 1 209 . 1 1 27 27 ARG N N 15 126.4463 0.05 . 1 . . . . . . . . 4328 1 210 . 1 1 27 27 ARG H H 1 8.299527 0.02 . 1 . . . . . . . . 4328 1 211 . 1 1 27 27 ARG HA H 1 4.176000 0.02 . 1 . . . . . . . . 4328 1 212 . 1 1 27 27 ARG HB2 H 1 1.800000 0.02 . 2 . . . . . . . . 4328 1 213 . 1 1 27 27 ARG HD2 H 1 3.282140 0.02 . 2 . . . . . . . . 4328 1 214 . 1 1 28 28 LEU CA C 13 56.99800 0.05 . 1 . . . . . . . . 4328 1 215 . 1 1 28 28 LEU CB C 13 40.51800 0.05 . 1 . . . . . . . . 4328 1 216 . 1 1 28 28 LEU CG C 13 26.20200 0.05 . 1 . . . . . . . . 4328 1 217 . 1 1 28 28 LEU CD1 C 13 22.30000 0.05 . 2 . . . . . . . . 4328 1 218 . 1 1 28 28 LEU N N 15 117.4080 0.05 . 1 . . . . . . . . 4328 1 219 . 1 1 28 28 LEU H H 1 8.238582 0.02 . 1 . . . . . . . . 4328 1 220 . 1 1 28 28 LEU HA H 1 4.031000 0.02 . 1 . . . . . . . . 4328 1 221 . 1 1 28 28 LEU HB2 H 1 1.257000 0.02 . 2 . . . . . . . . 4328 1 222 . 1 1 28 28 LEU HB3 H 1 1.776000 0.02 . 2 . . . . . . . . 4328 1 223 . 1 1 28 28 LEU HD11 H 1 0.7859763 0.02 . 2 . . . . . . . . 4328 1 224 . 1 1 28 28 LEU HD12 H 1 0.7859763 0.02 . 2 . . . . . . . . 4328 1 225 . 1 1 28 28 LEU HD13 H 1 0.7859763 0.02 . 2 . . . . . . . . 4328 1 226 . 1 1 29 29 GLU CA C 13 58.21000 0.05 . 1 . . . . . . . . 4328 1 227 . 1 1 29 29 GLU CB C 13 29.26300 0.05 . 1 . . . . . . . . 4328 1 228 . 1 1 29 29 GLU CG C 13 37.19900 0.05 . 1 . . . . . . . . 4328 1 229 . 1 1 29 29 GLU N N 15 122.0786 0.05 . 1 . . . . . . . . 4328 1 230 . 1 1 29 29 GLU H H 1 7.944904 0.02 . 1 . . . . . . . . 4328 1 231 . 1 1 29 29 GLU HA H 1 4.798000 0.02 . 1 . . . . . . . . 4328 1 232 . 1 1 29 29 GLU HB2 H 1 2.192000 0.02 . 2 . . . . . . . . 4328 1 233 . 1 1 29 29 GLU HG2 H 1 2.355000 0.02 . 2 . . . . . . . . 4328 1 234 . 1 1 30 30 GLN CA C 13 56.80500 0.05 . 1 . . . . . . . . 4328 1 235 . 1 1 30 30 GLN CB C 13 28.40900 0.05 . 1 . . . . . . . . 4328 1 236 . 1 1 30 30 GLN CG C 13 34.34200 0.05 . 1 . . . . . . . . 4328 1 237 . 1 1 30 30 GLN N N 15 118.1414 0.05 . 1 . . . . . . . . 4328 1 238 . 1 1 30 30 GLN H H 1 7.457283 0.02 . 1 . . . . . . . . 4328 1 239 . 1 1 30 30 GLN HA H 1 4.382000 0.02 . 1 . . . . . . . . 4328 1 240 . 1 1 30 30 GLN HB2 H 1 2.197000 0.02 . 2 . . . . . . . . 4328 1 241 . 1 1 30 30 GLN HB3 H 1 2.418000 0.02 . 2 . . . . . . . . 4328 1 242 . 1 1 30 30 GLN HG2 H 1 2.490000 0.02 . 2 . . . . . . . . 4328 1 243 . 1 1 30 30 GLN HE21 H 1 6.870000 0.02 . 2 . . . . . . . . 4328 1 244 . 1 1 30 30 GLN HE22 H 1 7.529000 0.02 . 2 . . . . . . . . 4328 1 245 . 1 1 31 31 CYS CA C 13 57.47800 0.05 . 1 . . . . . . . . 4328 1 246 . 1 1 31 31 CYS CB C 13 27.55600 0.05 . 1 . . . . . . . . 4328 1 247 . 1 1 31 31 CYS N N 15 118.7286 0.05 . 1 . . . . . . . . 4328 1 248 . 1 1 31 31 CYS H H 1 7.509878 0.02 . 1 . . . . . . . . 4328 1 249 . 1 1 31 31 CYS HA H 1 4.592000 0.02 . 1 . . . . . . . . 4328 1 250 . 1 1 31 31 CYS HB2 H 1 2.832000 0.02 . 2 . . . . . . . . 4328 1 251 . 1 1 31 31 CYS HB3 H 1 3.484000 0.02 . 2 . . . . . . . . 4328 1 252 . 1 1 32 32 GLY CA C 13 45.19200 0.05 . 1 . . . . . . . . 4328 1 253 . 1 1 32 32 GLY N N 15 107.0187 0.05 . 1 . . . . . . . . 4328 1 254 . 1 1 32 32 GLY H H 1 7.644527 0.02 . 1 . . . . . . . . 4328 1 255 . 1 1 32 32 GLY HA2 H 1 3.657000 0.02 . 2 . . . . . . . . 4328 1 256 . 1 1 32 32 GLY HA3 H 1 4.125387 0.02 . 2 . . . . . . . . 4328 1 257 . 1 1 33 33 ILE CA C 13 57.76600 0.05 . 1 . . . . . . . . 4328 1 258 . 1 1 33 33 ILE CB C 13 34.98600 0.05 . 1 . . . . . . . . 4328 1 259 . 1 1 33 33 ILE CG1 C 13 27.85000 0.05 . 1 . . . . . . . . 4328 1 260 . 1 1 33 33 ILE CG2 C 13 17.84800 0.05 . 1 . . . . . . . . 4328 1 261 . 1 1 33 33 ILE CD1 C 13 10.95700 0.05 . 1 . . . . . . . . 4328 1 262 . 1 1 33 33 ILE N N 15 122.2372 0.05 . 1 . . . . . . . . 4328 1 263 . 1 1 33 33 ILE H H 1 7.133618 0.02 . 1 . . . . . . . . 4328 1 264 . 1 1 33 33 ILE HA H 1 4.184000 0.02 . 1 . . . . . . . . 4328 1 265 . 1 1 33 33 ILE HB H 1 1.602000 0.02 . 1 . . . . . . . . 4328 1 266 . 1 1 33 33 ILE HG12 H 1 1.053017 0.02 . 2 . . . . . . . . 4328 1 267 . 1 1 33 33 ILE HG13 H 1 1.363861 0.02 . 2 . . . . . . . . 4328 1 268 . 1 1 33 33 ILE HG21 H 1 0.8440000 0.02 . 1 . . . . . . . . 4328 1 269 . 1 1 33 33 ILE HG22 H 1 0.8440000 0.02 . 1 . . . . . . . . 4328 1 270 . 1 1 33 33 ILE HG23 H 1 0.8440000 0.02 . 1 . . . . . . . . 4328 1 271 . 1 1 33 33 ILE HD11 H 1 0.6340000 0.02 . 1 . . . . . . . . 4328 1 272 . 1 1 33 33 ILE HD12 H 1 0.6340000 0.02 . 1 . . . . . . . . 4328 1 273 . 1 1 33 33 ILE HD13 H 1 0.6340000 0.02 . 1 . . . . . . . . 4328 1 274 . 1 1 34 34 ASN CA C 13 54.00200 0.05 . 1 . . . . . . . . 4328 1 275 . 1 1 34 34 ASN CB C 13 39.72700 0.05 . 1 . . . . . . . . 4328 1 276 . 1 1 34 34 ASN N N 15 127.9416 0.05 . 1 . . . . . . . . 4328 1 277 . 1 1 34 34 ASN H H 1 8.991946 0.02 . 1 . . . . . . . . 4328 1 278 . 1 1 34 34 ASN HA H 1 4.435000 0.02 . 1 . . . . . . . . 4328 1 279 . 1 1 34 34 ASN HB2 H 1 2.770000 0.02 . 2 . . . . . . . . 4328 1 280 . 1 1 34 34 ASN HB3 H 1 2.960000 0.02 . 2 . . . . . . . . 4328 1 281 . 1 1 34 34 ASN HD21 H 1 7.038000 0.02 . 2 . . . . . . . . 4328 1 282 . 1 1 34 34 ASN HD22 H 1 7.763000 0.02 . 2 . . . . . . . . 4328 1 283 . 1 1 35 35 ALA CA C 13 55.46600 0.05 . 1 . . . . . . . . 4328 1 284 . 1 1 35 35 ALA CB C 13 18.42400 0.05 . 1 . . . . . . . . 4328 1 285 . 1 1 35 35 ALA N N 15 128.8856 0.05 . 1 . . . . . . . . 4328 1 286 . 1 1 35 35 ALA H H 1 9.029000 . . 1 . . . . . . . . 4328 1 287 . 1 1 35 35 ALA HA H 1 3.866000 0.02 . 1 . . . . . . . . 4328 1 288 . 1 1 35 35 ALA HB1 H 1 1.414000 0.02 . 1 . . . . . . . . 4328 1 289 . 1 1 35 35 ALA HB2 H 1 1.414000 0.02 . 1 . . . . . . . . 4328 1 290 . 1 1 35 35 ALA HB3 H 1 1.414000 0.02 . 1 . . . . . . . . 4328 1 291 . 1 1 36 36 ASN CA C 13 55.76000 0.05 . 1 . . . . . . . . 4328 1 292 . 1 1 36 36 ASN CB C 13 37.67200 0.05 . 1 . . . . . . . . 4328 1 293 . 1 1 36 36 ASN N N 15 117.7605 0.05 . 1 . . . . . . . . 4328 1 294 . 1 1 36 36 ASN H H 1 8.866500 0.02 . 1 . . . . . . . . 4328 1 295 . 1 1 36 36 ASN HA H 1 4.435000 0.02 . 1 . . . . . . . . 4328 1 296 . 1 1 36 36 ASN HB2 H 1 2.776000 0.02 . 2 . . . . . . . . 4328 1 297 . 1 1 36 36 ASN HD21 H 1 6.949000 0.02 . 2 . . . . . . . . 4328 1 298 . 1 1 36 36 ASN HD22 H 1 7.624000 0.02 . 2 . . . . . . . . 4328 1 299 . 1 1 37 37 ASP CA C 13 57.10500 0.05 . 1 . . . . . . . . 4328 1 300 . 1 1 37 37 ASP CB C 13 39.79600 0.05 . 1 . . . . . . . . 4328 1 301 . 1 1 37 37 ASP N N 15 123.0845 0.05 . 1 . . . . . . . . 4328 1 302 . 1 1 37 37 ASP H H 1 7.654830 0.02 . 1 . . . . . . . . 4328 1 303 . 1 1 37 37 ASP HA H 1 4.444000 0.02 . 1 . . . . . . . . 4328 1 304 . 1 1 37 37 ASP HB2 H 1 2.162000 0.02 . 2 . . . . . . . . 4328 1 305 . 1 1 37 37 ASP HB3 H 1 2.819000 0.02 . 2 . . . . . . . . 4328 1 306 . 1 1 38 38 VAL CA C 13 67.49200 0.05 . 1 . . . . . . . . 4328 1 307 . 1 1 38 38 VAL CB C 13 30.99700 0.05 . 1 . . . . . . . . 4328 1 308 . 1 1 38 38 VAL CG1 C 13 23.19800 0.05 . 2 . . . . . . . . 4328 1 309 . 1 1 38 38 VAL N N 15 122.1574 0.05 . 1 . . . . . . . . 4328 1 310 . 1 1 38 38 VAL H H 1 7.716177 0.02 . 1 . . . . . . . . 4328 1 311 . 1 1 38 38 VAL HA H 1 3.342000 0.02 . 1 . . . . . . . . 4328 1 312 . 1 1 38 38 VAL HB H 1 2.148000 0.02 . 1 . . . . . . . . 4328 1 313 . 1 1 38 38 VAL HG11 H 1 0.8410000 0.02 . 2 . . . . . . . . 4328 1 314 . 1 1 38 38 VAL HG12 H 1 0.8410000 0.02 . 2 . . . . . . . . 4328 1 315 . 1 1 38 38 VAL HG13 H 1 0.8410000 0.02 . 2 . . . . . . . . 4328 1 316 . 1 1 39 39 LYS CA C 13 58.85200 0.05 . 1 . . . . . . . . 4328 1 317 . 1 1 39 39 LYS CB C 13 31.69300 0.05 . 1 . . . . . . . . 4328 1 318 . 1 1 39 39 LYS CG C 13 24.60300 0.05 . 1 . . . . . . . . 4328 1 319 . 1 1 39 39 LYS CD C 13 29.20000 0.05 . 1 . . . . . . . . 4328 1 320 . 1 1 39 39 LYS CE C 13 41.98700 0.05 . 1 . . . . . . . . 4328 1 321 . 1 1 39 39 LYS N N 15 120.5161 0.05 . 1 . . . . . . . . 4328 1 322 . 1 1 39 39 LYS H H 1 7.854529 0.02 . 1 . . . . . . . . 4328 1 323 . 1 1 39 39 LYS HA H 1 4.231000 0.02 . 1 . . . . . . . . 4328 1 324 . 1 1 39 39 LYS HB2 H 1 1.932000 0.02 . 2 . . . . . . . . 4328 1 325 . 1 1 39 39 LYS HG2 H 1 1.521000 0.02 . 2 . . . . . . . . 4328 1 326 . 1 1 39 39 LYS HD2 H 1 1.725792 0.02 . 2 . . . . . . . . 4328 1 327 . 1 1 39 39 LYS HE2 H 1 2.980000 0.02 . 2 . . . . . . . . 4328 1 328 . 1 1 40 40 LYS CA C 13 59.03000 0.05 . 1 . . . . . . . . 4328 1 329 . 1 1 40 40 LYS CB C 13 32.27700 0.05 . 1 . . . . . . . . 4328 1 330 . 1 1 40 40 LYS CG C 13 25.15000 0.05 . 1 . . . . . . . . 4328 1 331 . 1 1 40 40 LYS CD C 13 29.21000 0.05 . 1 . . . . . . . . 4328 1 332 . 1 1 40 40 LYS CE C 13 42.45000 0.05 . 1 . . . . . . . . 4328 1 333 . 1 1 40 40 LYS N N 15 119.5707 0.05 . 1 . . . . . . . . 4328 1 334 . 1 1 40 40 LYS H H 1 7.296339 0.02 . 1 . . . . . . . . 4328 1 335 . 1 1 40 40 LYS HA H 1 4.072000 0.02 . 1 . . . . . . . . 4328 1 336 . 1 1 40 40 LYS HB2 H 1 1.817000 0.02 . 2 . . . . . . . . 4328 1 337 . 1 1 40 40 LYS HB3 H 1 2.091000 0.02 . 2 . . . . . . . . 4328 1 338 . 1 1 40 40 LYS HG2 H 1 1.576000 0.02 . 2 . . . . . . . . 4328 1 339 . 1 1 40 40 LYS HE2 H 1 2.987024 0.02 . 2 . . . . . . . . 4328 1 340 . 1 1 41 41 LEU CA C 13 58.11900 0.05 . 1 . . . . . . . . 4328 1 341 . 1 1 41 41 LEU CB C 13 40.81200 0.05 . 1 . . . . . . . . 4328 1 342 . 1 1 41 41 LEU CG C 13 25.64300 0.05 . 1 . . . . . . . . 4328 1 343 . 1 1 41 41 LEU CD1 C 13 22.99900 0.05 . 2 . . . . . . . . 4328 1 344 . 1 1 41 41 LEU N N 15 121.0183 0.05 . 1 . . . . . . . . 4328 1 345 . 1 1 41 41 LEU H H 1 7.713519 0.02 . 1 . . . . . . . . 4328 1 346 . 1 1 41 41 LEU HA H 1 4.079000 0.02 . 1 . . . . . . . . 4328 1 347 . 1 1 41 41 LEU HB2 H 1 1.357000 0.02 . 2 . . . . . . . . 4328 1 348 . 1 1 41 41 LEU HB3 H 1 2.267000 0.02 . 2 . . . . . . . . 4328 1 349 . 1 1 41 41 LEU HG H 1 1.886000 0.02 . 1 . . . . . . . . 4328 1 350 . 1 1 41 41 LEU HD11 H 1 0.5477591 0.02 . 2 . . . . . . . . 4328 1 351 . 1 1 41 41 LEU HD12 H 1 0.5477591 0.02 . 2 . . . . . . . . 4328 1 352 . 1 1 41 41 LEU HD13 H 1 0.5477591 0.02 . 2 . . . . . . . . 4328 1 353 . 1 1 41 41 LEU HD21 H 1 0.6887378 0.02 . 2 . . . . . . . . 4328 1 354 . 1 1 41 41 LEU HD22 H 1 0.6887378 0.02 . 2 . . . . . . . . 4328 1 355 . 1 1 41 41 LEU HD23 H 1 0.6887378 0.02 . 2 . . . . . . . . 4328 1 356 . 1 1 42 42 GLU CA C 13 59.70600 0.05 . 1 . . . . . . . . 4328 1 357 . 1 1 42 42 GLU CB C 13 29.77700 0.05 . 1 . . . . . . . . 4328 1 358 . 1 1 42 42 GLU CG C 13 37.43500 0.05 . 1 . . . . . . . . 4328 1 359 . 1 1 42 42 GLU N N 15 123.1557 0.05 . 1 . . . . . . . . 4328 1 360 . 1 1 42 42 GLU H H 1 8.513245 0.02 . 1 . . . . . . . . 4328 1 361 . 1 1 42 42 GLU HA H 1 4.061000 0.02 . 1 . . . . . . . . 4328 1 362 . 1 1 42 42 GLU HB2 H 1 2.094000 0.02 . 2 . . . . . . . . 4328 1 363 . 1 1 42 42 GLU HB3 H 1 2.281000 0.02 . 2 . . . . . . . . 4328 1 364 . 1 1 42 42 GLU HG2 H 1 2.406000 0.02 . 2 . . . . . . . . 4328 1 365 . 1 1 43 43 GLU CA C 13 58.64100 0.05 . 1 . . . . . . . . 4328 1 366 . 1 1 43 43 GLU CB C 13 29.23300 0.05 . 1 . . . . . . . . 4328 1 367 . 1 1 43 43 GLU CG C 13 36.78800 0.05 . 1 . . . . . . . . 4328 1 368 . 1 1 43 43 GLU N N 15 122.4367 0.05 . 1 . . . . . . . . 4328 1 369 . 1 1 43 43 GLU H H 1 8.487332 0.02 . 1 . . . . . . . . 4328 1 370 . 1 1 43 43 GLU HA H 1 4.015000 0.02 . 1 . . . . . . . . 4328 1 371 . 1 1 43 43 GLU HB2 H 1 2.138000 0.02 . 2 . . . . . . . . 4328 1 372 . 1 1 43 43 GLU HG2 H 1 2.293000 0.02 . 2 . . . . . . . . 4328 1 373 . 1 1 43 43 GLU HG3 H 1 2.516000 0.02 . 2 . . . . . . . . 4328 1 374 . 1 1 44 44 ALA CA C 13 51.78800 0.05 . 1 . . . . . . . . 4328 1 375 . 1 1 44 44 ALA CB C 13 19.25600 0.05 . 1 . . . . . . . . 4328 1 376 . 1 1 44 44 ALA N N 15 121.7962 0.05 . 1 . . . . . . . . 4328 1 377 . 1 1 44 44 ALA H H 1 7.422805 0.02 . 1 . . . . . . . . 4328 1 378 . 1 1 44 44 ALA HA H 1 4.424000 0.02 . 1 . . . . . . . . 4328 1 379 . 1 1 44 44 ALA HB1 H 1 1.695000 0.02 . 1 . . . . . . . . 4328 1 380 . 1 1 44 44 ALA HB2 H 1 1.695000 0.02 . 1 . . . . . . . . 4328 1 381 . 1 1 44 44 ALA HB3 H 1 1.695000 0.02 . 1 . . . . . . . . 4328 1 382 . 1 1 45 45 GLY CA C 13 44.41400 0.05 . 1 . . . . . . . . 4328 1 383 . 1 1 45 45 GLY N N 15 106.7529 0.05 . 1 . . . . . . . . 4328 1 384 . 1 1 45 45 GLY H H 1 7.639397 0.02 . 1 . . . . . . . . 4328 1 385 . 1 1 45 45 GLY HA2 H 1 3.396000 0.02 . 2 . . . . . . . . 4328 1 386 . 1 1 45 45 GLY HA3 H 1 4.074000 0.02 . 2 . . . . . . . . 4328 1 387 . 1 1 46 46 PHE CA C 13 57.07010 0.05 . 1 . . . . . . . . 4328 1 388 . 1 1 46 46 PHE CB C 13 38.52800 0.05 . 1 . . . . . . . . 4328 1 389 . 1 1 46 46 PHE N N 15 122.2065 0.05 . 1 . . . . . . . . 4328 1 390 . 1 1 46 46 PHE H H 1 8.051931 0.02 . 1 . . . . . . . . 4328 1 391 . 1 1 46 46 PHE HA H 1 4.338213 0.02 . 1 . . . . . . . . 4328 1 392 . 1 1 46 46 PHE HB2 H 1 2.530000 0.02 . 2 . . . . . . . . 4328 1 393 . 1 1 46 46 PHE HB3 H 1 2.772000 0.02 . 2 . . . . . . . . 4328 1 394 . 1 1 46 46 PHE HD1 H 1 7.210338 0.02 . 3 . . . . . . . . 4328 1 395 . 1 1 46 46 PHE HE1 H 1 7.056135 0.02 . 3 . . . . . . . . 4328 1 396 . 1 1 47 47 HIS CA C 13 55.52100 0.05 . 1 . . . . . . . . 4328 1 397 . 1 1 47 47 HIS CB C 13 30.43400 0.05 . 1 . . . . . . . . 4328 1 398 . 1 1 47 47 HIS N N 15 117.4625 0.05 . 1 . . . . . . . . 4328 1 399 . 1 1 47 47 HIS H H 1 8.593471 0.02 . 1 . . . . . . . . 4328 1 400 . 1 1 47 47 HIS HA H 1 4.912000 0.02 . 1 . . . . . . . . 4328 1 401 . 1 1 47 47 HIS HB2 H 1 3.081000 0.02 . 2 . . . . . . . . 4328 1 402 . 1 1 47 47 HIS HB3 H 1 3.453481 0.02 . 2 . . . . . . . . 4328 1 403 . 1 1 47 47 HIS HD2 H 1 7.087505 0.02 . 3 . . . . . . . . 4328 1 404 . 1 1 47 47 HIS HE1 H 1 8.252164 0.02 . 3 . . . . . . . . 4328 1 405 . 1 1 48 48 THR CA C 13 57.71700 0.05 . 1 . . . . . . . . 4328 1 406 . 1 1 48 48 THR CB C 13 72.25400 0.05 . 1 . . . . . . . . 4328 1 407 . 1 1 48 48 THR CG2 C 13 21.82400 0.05 . 1 . . . . . . . . 4328 1 408 . 1 1 48 48 THR N N 15 111.8634 0.05 . 1 . . . . . . . . 4328 1 409 . 1 1 48 48 THR H H 1 7.590190 0.02 . 1 . . . . . . . . 4328 1 410 . 1 1 48 48 THR HA H 1 5.326000 0.02 . 1 . . . . . . . . 4328 1 411 . 1 1 48 48 THR HB H 1 4.791476 0.02 . 1 . . . . . . . . 4328 1 412 . 1 1 48 48 THR HG21 H 1 1.106376 0.02 . 1 . . . . . . . . 4328 1 413 . 1 1 48 48 THR HG22 H 1 1.106376 0.02 . 1 . . . . . . . . 4328 1 414 . 1 1 48 48 THR HG23 H 1 1.106376 0.02 . 1 . . . . . . . . 4328 1 415 . 1 1 49 49 VAL CA C 13 66.28700 0.05 . 1 . . . . . . . . 4328 1 416 . 1 1 49 49 VAL CB C 13 31.51100 0.05 . 1 . . . . . . . . 4328 1 417 . 1 1 49 49 VAL N N 15 122.8329 0.05 . 1 . . . . . . . . 4328 1 418 . 1 1 49 49 VAL H H 1 8.832468 0.02 . 1 . . . . . . . . 4328 1 419 . 1 1 49 49 VAL HA H 1 3.344000 0.02 . 1 . . . . . . . . 4328 1 420 . 1 1 49 49 VAL HB H 1 1.840198 0.02 . 1 . . . . . . . . 4328 1 421 . 1 1 49 49 VAL HG11 H 1 0.8460000 0.02 . 2 . . . . . . . . 4328 1 422 . 1 1 49 49 VAL HG12 H 1 0.8460000 0.02 . 2 . . . . . . . . 4328 1 423 . 1 1 49 49 VAL HG13 H 1 0.8460000 0.02 . 2 . . . . . . . . 4328 1 424 . 1 1 50 50 GLU CA C 13 61.64700 0.05 . 1 . . . . . . . . 4328 1 425 . 1 1 50 50 GLU CB C 13 28.59700 0.05 . 1 . . . . . . . . 4328 1 426 . 1 1 50 50 GLU CG C 13 38.74600 0.05 . 1 . . . . . . . . 4328 1 427 . 1 1 50 50 GLU N N 15 122.6162 0.05 . 1 . . . . . . . . 4328 1 428 . 1 1 50 50 GLU H H 1 10.02730 0.02 . 1 . . . . . . . . 4328 1 429 . 1 1 50 50 GLU HA H 1 3.586757 0.02 . 1 . . . . . . . . 4328 1 430 . 1 1 50 50 GLU HB2 H 1 1.837401 0.02 . 2 . . . . . . . . 4328 1 431 . 1 1 50 50 GLU HB3 H 1 2.096397 0.02 . 2 . . . . . . . . 4328 1 432 . 1 1 50 50 GLU HG2 H 1 2.183575 0.02 . 2 . . . . . . . . 4328 1 433 . 1 1 50 50 GLU HG3 H 1 2.592385 0.02 . 2 . . . . . . . . 4328 1 434 . 1 1 51 51 ALA CA C 13 54.39300 0.05 . 1 . . . . . . . . 4328 1 435 . 1 1 51 51 ALA CB C 13 19.26400 0.05 . 1 . . . . . . . . 4328 1 436 . 1 1 51 51 ALA N N 15 120.2525 0.05 . 1 . . . . . . . . 4328 1 437 . 1 1 51 51 ALA H H 1 7.840075 0.02 . 1 . . . . . . . . 4328 1 438 . 1 1 51 51 ALA HA H 1 4.175000 0.02 . 1 . . . . . . . . 4328 1 439 . 1 1 51 51 ALA HB1 H 1 1.718000 0.02 . 1 . . . . . . . . 4328 1 440 . 1 1 51 51 ALA HB2 H 1 1.718000 0.02 . 1 . . . . . . . . 4328 1 441 . 1 1 51 51 ALA HB3 H 1 1.718000 0.02 . 1 . . . . . . . . 4328 1 442 . 1 1 52 52 VAL CA C 13 64.30500 0.05 . 1 . . . . . . . . 4328 1 443 . 1 1 52 52 VAL N N 15 117.2374 0.05 . 1 . . . . . . . . 4328 1 444 . 1 1 52 52 VAL H H 1 7.174784 0.02 . 1 . . . . . . . . 4328 1 445 . 1 1 52 52 VAL HA H 1 3.512000 0.02 . 1 . . . . . . . . 4328 1 446 . 1 1 52 52 VAL HB H 1 1.842000 0.02 . 1 . . . . . . . . 4328 1 447 . 1 1 52 52 VAL HG11 H 1 0.6340000 0.02 . 2 . . . . . . . . 4328 1 448 . 1 1 52 52 VAL HG12 H 1 0.6340000 0.02 . 2 . . . . . . . . 4328 1 449 . 1 1 52 52 VAL HG13 H 1 0.6340000 0.02 . 2 . . . . . . . . 4328 1 450 . 1 1 54 54 TYR CB C 13 37.86300 0.05 . 1 . . . . . . . . 4328 1 451 . 1 1 54 54 TYR HB2 H 1 2.725637 0.02 . 2 . . . . . . . . 4328 1 452 . 1 1 54 54 TYR HB3 H 1 3.378473 0.02 . 2 . . . . . . . . 4328 1 453 . 1 1 54 54 TYR HD1 H 1 7.179313 0.02 . 3 . . . . . . . . 4328 1 454 . 1 1 54 54 TYR HE1 H 1 6.727045 0.02 . 3 . . . . . . . . 4328 1 455 . 1 1 55 55 ALA CA C 13 50.51600 0.05 . 1 . . . . . . . . 4328 1 456 . 1 1 55 55 ALA CB C 13 18.17100 0.05 . 1 . . . . . . . . 4328 1 457 . 1 1 55 55 ALA N N 15 129.0878 0.05 . 1 . . . . . . . . 4328 1 458 . 1 1 55 55 ALA H H 1 7.582227 0.02 . 1 . . . . . . . . 4328 1 459 . 1 1 55 55 ALA HA H 1 4.596000 0.02 . 1 . . . . . . . . 4328 1 460 . 1 1 55 55 ALA HB1 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 461 . 1 1 55 55 ALA HB2 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 462 . 1 1 55 55 ALA HB3 H 1 1.362000 0.02 . 1 . . . . . . . . 4328 1 463 . 1 1 56 56 PRO CA C 13 61.76300 0.05 . 1 . . . . . . . . 4328 1 464 . 1 1 56 56 PRO CB C 13 31.75400 0.05 . 1 . . . . . . . . 4328 1 465 . 1 1 56 56 PRO CG C 13 27.93400 0.05 . 1 . . . . . . . . 4328 1 466 . 1 1 56 56 PRO CD C 13 50.15400 0.05 . 1 . . . . . . . . 4328 1 467 . 1 1 56 56 PRO HA H 1 4.490181 0.02 . 1 . . . . . . . . 4328 1 468 . 1 1 56 56 PRO HB2 H 1 1.869453 0.02 . 2 . . . . . . . . 4328 1 469 . 1 1 56 56 PRO HB3 H 1 2.418571 0.02 . 2 . . . . . . . . 4328 1 470 . 1 1 56 56 PRO HG2 H 1 2.098161 0.02 . 2 . . . . . . . . 4328 1 471 . 1 1 56 56 PRO HG3 H 1 2.173575 0.02 . 2 . . . . . . . . 4328 1 472 . 1 1 56 56 PRO HD2 H 1 3.659271 0.02 . 2 . . . . . . . . 4328 1 473 . 1 1 56 56 PRO HD3 H 1 4.035035 0.02 . 2 . . . . . . . . 4328 1 474 . 1 1 57 57 LYS CA C 13 60.42500 0.05 . 1 . . . . . . . . 4328 1 475 . 1 1 57 57 LYS CB C 13 31.77900 0.05 . 1 . . . . . . . . 4328 1 476 . 1 1 57 57 LYS CG C 13 25.34300 0.05 . 1 . . . . . . . . 4328 1 477 . 1 1 57 57 LYS CD C 13 29.82100 0.05 . 1 . . . . . . . . 4328 1 478 . 1 1 57 57 LYS CE C 13 42.01100 0.05 . 1 . . . . . . . . 4328 1 479 . 1 1 57 57 LYS N N 15 128.4244 0.05 . 1 . . . . . . . . 4328 1 480 . 1 1 57 57 LYS H H 1 8.773128 0.02 . 1 . . . . . . . . 4328 1 481 . 1 1 57 57 LYS HA H 1 3.655576 0.02 . 1 . . . . . . . . 4328 1 482 . 1 1 57 57 LYS HB2 H 1 1.768000 0.02 . 2 . . . . . . . . 4328 1 483 . 1 1 57 57 LYS HG2 H 1 1.258167 0.02 . 2 . . . . . . . . 4328 1 484 . 1 1 57 57 LYS HE2 H 1 2.862415 0.02 . 2 . . . . . . . . 4328 1 485 . 1 1 58 58 LYS CA C 13 58.62900 0.05 . 1 . . . . . . . . 4328 1 486 . 1 1 58 58 LYS CB C 13 32.00500 0.05 . 1 . . . . . . . . 4328 1 487 . 1 1 58 58 LYS CG C 13 24.51900 0.05 . 1 . . . . . . . . 4328 1 488 . 1 1 58 58 LYS CD C 13 29.30600 0.05 . 1 . . . . . . . . 4328 1 489 . 1 1 58 58 LYS CE C 13 41.89500 0.05 . 1 . . . . . . . . 4328 1 490 . 1 1 58 58 LYS N N 15 116.3484 0.05 . 1 . . . . . . . . 4328 1 491 . 1 1 58 58 LYS H H 1 8.472838 0.02 . 1 . . . . . . . . 4328 1 492 . 1 1 58 58 LYS HA H 1 3.910000 0.02 . 1 . . . . . . . . 4328 1 493 . 1 1 58 58 LYS HB2 H 1 1.707000 0.02 . 2 . . . . . . . . 4328 1 494 . 1 1 58 58 LYS HB3 H 1 1.830296 0.02 . 2 . . . . . . . . 4328 1 495 . 1 1 58 58 LYS HG2 H 1 1.400000 0.02 . 2 . . . . . . . . 4328 1 496 . 1 1 58 58 LYS HE2 H 1 2.978494 0.02 . 2 . . . . . . . . 4328 1 497 . 1 1 59 59 GLU CA C 13 57.92600 0.05 . 1 . . . . . . . . 4328 1 498 . 1 1 59 59 GLU CB C 13 29.53700 0.05 . 1 . . . . . . . . 4328 1 499 . 1 1 59 59 GLU CG C 13 36.63900 0.05 . 1 . . . . . . . . 4328 1 500 . 1 1 59 59 GLU N N 15 117.4751 0.05 . 1 . . . . . . . . 4328 1 501 . 1 1 59 59 GLU H H 1 7.441406 0.02 . 1 . . . . . . . . 4328 1 502 . 1 1 59 59 GLU HA H 1 4.226000 0.02 . 1 . . . . . . . . 4328 1 503 . 1 1 59 59 GLU HB2 H 1 2.094000 0.02 . 2 . . . . . . . . 4328 1 504 . 1 1 59 59 GLU HB3 H 1 2.297000 0.02 . 2 . . . . . . . . 4328 1 505 . 1 1 59 59 GLU HG2 H 1 2.417000 0.02 . 2 . . . . . . . . 4328 1 506 . 1 1 60 60 LEU CA C 13 57.12600 0.05 . 1 . . . . . . . . 4328 1 507 . 1 1 60 60 LEU CB C 13 41.91300 0.05 . 1 . . . . . . . . 4328 1 508 . 1 1 60 60 LEU CG C 13 25.60500 0.05 . 1 . . . . . . . . 4328 1 509 . 1 1 60 60 LEU CD1 C 13 23.05000 0.05 . 2 . . . . . . . . 4328 1 510 . 1 1 60 60 LEU N N 15 120.5019 0.05 . 1 . . . . . . . . 4328 1 511 . 1 1 60 60 LEU H H 1 7.346547 0.02 . 1 . . . . . . . . 4328 1 512 . 1 1 60 60 LEU HA H 1 4.107000 0.02 . 1 . . . . . . . . 4328 1 513 . 1 1 60 60 LEU HB2 H 1 1.148000 0.02 . 2 . . . . . . . . 4328 1 514 . 1 1 60 60 LEU HB3 H 1 1.829000 0.02 . 2 . . . . . . . . 4328 1 515 . 1 1 60 60 LEU HG H 1 1.470958 0.02 . 1 . . . . . . . . 4328 1 516 . 1 1 60 60 LEU HD11 H 1 0.3150000 0.02 . 1 . . . . . . . . 4328 1 517 . 1 1 60 60 LEU HD12 H 1 0.3150000 0.02 . 1 . . . . . . . . 4328 1 518 . 1 1 60 60 LEU HD13 H 1 0.3150000 0.02 . 1 . . . . . . . . 4328 1 519 . 1 1 60 60 LEU HD21 H 1 0.6258753 0.02 . 1 . . . . . . . . 4328 1 520 . 1 1 60 60 LEU HD22 H 1 0.6258753 0.02 . 1 . . . . . . . . 4328 1 521 . 1 1 60 60 LEU HD23 H 1 0.6258753 0.02 . 1 . . . . . . . . 4328 1 522 . 1 1 61 61 ILE CA C 13 62.12400 0.05 . 1 . . . . . . . . 4328 1 523 . 1 1 61 61 ILE CB C 13 37.20600 0.05 . 1 . . . . . . . . 4328 1 524 . 1 1 61 61 ILE CG1 C 13 26.58300 0.05 . 1 . . . . . . . . 4328 1 525 . 1 1 61 61 ILE CG2 C 13 18.06700 0.05 . 1 . . . . . . . . 4328 1 526 . 1 1 61 61 ILE CD1 C 13 13.82300 0.05 . 1 . . . . . . . . 4328 1 527 . 1 1 61 61 ILE N N 15 111.1375 0.05 . 1 . . . . . . . . 4328 1 528 . 1 1 61 61 ILE H H 1 7.512108 0.02 . 1 . . . . . . . . 4328 1 529 . 1 1 61 61 ILE HA H 1 4.283000 0.02 . 1 . . . . . . . . 4328 1 530 . 1 1 61 61 ILE HB H 1 2.040000 0.02 . 1 . . . . . . . . 4328 1 531 . 1 1 61 61 ILE HG12 H 1 1.153000 0.02 . 2 . . . . . . . . 4328 1 532 . 1 1 61 61 ILE HG13 H 1 1.310344 0.02 . 2 . . . . . . . . 4328 1 533 . 1 1 61 61 ILE HG21 H 1 0.7882882 0.02 . 1 . . . . . . . . 4328 1 534 . 1 1 61 61 ILE HG22 H 1 0.7882882 0.02 . 1 . . . . . . . . 4328 1 535 . 1 1 61 61 ILE HG23 H 1 0.7882882 0.02 . 1 . . . . . . . . 4328 1 536 . 1 1 61 61 ILE HD11 H 1 0.7880000 0.02 . 1 . . . . . . . . 4328 1 537 . 1 1 61 61 ILE HD12 H 1 0.7880000 0.02 . 1 . . . . . . . . 4328 1 538 . 1 1 61 61 ILE HD13 H 1 0.7880000 0.02 . 1 . . . . . . . . 4328 1 539 . 1 1 62 62 ASN CA C 13 53.12800 0.05 . 1 . . . . . . . . 4328 1 540 . 1 1 62 62 ASN CB C 13 38.82500 0.05 . 1 . . . . . . . . 4328 1 541 . 1 1 62 62 ASN N N 15 119.1712 0.05 . 1 . . . . . . . . 4328 1 542 . 1 1 62 62 ASN H H 1 7.099671 0.02 . 1 . . . . . . . . 4328 1 543 . 1 1 62 62 ASN HA H 1 4.684000 0.02 . 1 . . . . . . . . 4328 1 544 . 1 1 62 62 ASN HB2 H 1 2.764000 0.02 . 2 . . . . . . . . 4328 1 545 . 1 1 62 62 ASN HB3 H 1 2.895000 0.02 . 2 . . . . . . . . 4328 1 546 . 1 1 62 62 ASN HD21 H 1 6.784000 0.02 . 2 . . . . . . . . 4328 1 547 . 1 1 62 62 ASN HD22 H 1 7.628000 0.02 . 2 . . . . . . . . 4328 1 548 . 1 1 63 63 ILE CA C 13 61.41400 0.05 . 1 . . . . . . . . 4328 1 549 . 1 1 63 63 ILE CB C 13 37.16000 0.05 . 1 . . . . . . . . 4328 1 550 . 1 1 63 63 ILE CG1 C 13 27.21500 0.05 . 1 . . . . . . . . 4328 1 551 . 1 1 63 63 ILE CG2 C 13 17.54400 0.05 . 1 . . . . . . . . 4328 1 552 . 1 1 63 63 ILE CD1 C 13 15.16400 0.05 . 1 . . . . . . . . 4328 1 553 . 1 1 63 63 ILE N N 15 125.4873 0.05 . 1 . . . . . . . . 4328 1 554 . 1 1 63 63 ILE H H 1 7.540831 0.02 . 1 . . . . . . . . 4328 1 555 . 1 1 63 63 ILE HA H 1 3.864000 0.02 . 1 . . . . . . . . 4328 1 556 . 1 1 63 63 ILE HB H 1 2.036000 0.02 . 1 . . . . . . . . 4328 1 557 . 1 1 63 63 ILE HG12 H 1 1.936833 0.02 . 2 . . . . . . . . 4328 1 558 . 1 1 63 63 ILE HG21 H 1 0.8350000 0.02 . 1 . . . . . . . . 4328 1 559 . 1 1 63 63 ILE HG22 H 1 0.8350000 0.02 . 1 . . . . . . . . 4328 1 560 . 1 1 63 63 ILE HG23 H 1 0.8350000 0.02 . 1 . . . . . . . . 4328 1 561 . 1 1 63 63 ILE HD11 H 1 0.9410000 0.02 . 1 . . . . . . . . 4328 1 562 . 1 1 63 63 ILE HD12 H 1 0.9410000 0.02 . 1 . . . . . . . . 4328 1 563 . 1 1 63 63 ILE HD13 H 1 0.9410000 0.02 . 1 . . . . . . . . 4328 1 564 . 1 1 64 64 LYS CA C 13 58.17800 0.05 . 1 . . . . . . . . 4328 1 565 . 1 1 64 64 LYS CB C 13 31.38300 0.05 . 1 . . . . . . . . 4328 1 566 . 1 1 64 64 LYS CG C 13 24.57200 0.05 . 1 . . . . . . . . 4328 1 567 . 1 1 64 64 LYS CD C 13 29.00100 0.05 . 1 . . . . . . . . 4328 1 568 . 1 1 64 64 LYS CE C 13 42.08300 0.05 . 1 . . . . . . . . 4328 1 569 . 1 1 64 64 LYS N N 15 131.2483 0.05 . 1 . . . . . . . . 4328 1 570 . 1 1 64 64 LYS H H 1 8.507549 0.02 . 1 . . . . . . . . 4328 1 571 . 1 1 64 64 LYS HA H 1 3.970000 0.02 . 1 . . . . . . . . 4328 1 572 . 1 1 64 64 LYS HB2 H 1 1.779000 0.02 . 2 . . . . . . . . 4328 1 573 . 1 1 64 64 LYS HG2 H 1 1.360029 0.02 . 2 . . . . . . . . 4328 1 574 . 1 1 64 64 LYS HD2 H 1 1.465178 0.02 . 2 . . . . . . . . 4328 1 575 . 1 1 64 64 LYS HE2 H 1 3.006271 0.02 . 2 . . . . . . . . 4328 1 576 . 1 1 65 65 GLY CA C 13 44.69000 0.05 . 1 . . . . . . . . 4328 1 577 . 1 1 65 65 GLY N N 15 114.1282 0.05 . 1 . . . . . . . . 4328 1 578 . 1 1 65 65 GLY H H 1 8.703726 0.02 . 1 . . . . . . . . 4328 1 579 . 1 1 65 65 GLY HA2 H 1 3.649000 0.02 . 2 . . . . . . . . 4328 1 580 . 1 1 65 65 GLY HA3 H 1 4.184000 0.02 . 2 . . . . . . . . 4328 1 581 . 1 1 66 66 ILE CA C 13 58.84000 0.05 . 1 . . . . . . . . 4328 1 582 . 1 1 66 66 ILE CB C 13 33.88200 0.05 . 1 . . . . . . . . 4328 1 583 . 1 1 66 66 ILE CG1 C 13 26.22300 0.05 . 1 . . . . . . . . 4328 1 584 . 1 1 66 66 ILE CG2 C 13 17.07200 0.05 . 1 . . . . . . . . 4328 1 585 . 1 1 66 66 ILE CD1 C 13 9.127596 0.05 . 1 . . . . . . . . 4328 1 586 . 1 1 66 66 ILE N N 15 125.4702 0.05 . 1 . . . . . . . . 4328 1 587 . 1 1 66 66 ILE H H 1 8.078434 0.02 . 1 . . . . . . . . 4328 1 588 . 1 1 66 66 ILE HA H 1 4.127000 0.02 . 1 . . . . . . . . 4328 1 589 . 1 1 66 66 ILE HB H 1 2.615000 0.02 . 1 . . . . . . . . 4328 1 590 . 1 1 66 66 ILE HG12 H 1 1.127002 0.02 . 2 . . . . . . . . 4328 1 591 . 1 1 66 66 ILE HG21 H 1 0.5837966 0.02 . 1 . . . . . . . . 4328 1 592 . 1 1 66 66 ILE HG22 H 1 0.5837966 0.02 . 1 . . . . . . . . 4328 1 593 . 1 1 66 66 ILE HG23 H 1 0.5837966 0.02 . 1 . . . . . . . . 4328 1 594 . 1 1 66 66 ILE HD11 H 1 0.5830000 0.02 . 1 . . . . . . . . 4328 1 595 . 1 1 66 66 ILE HD12 H 1 0.5830000 0.02 . 1 . . . . . . . . 4328 1 596 . 1 1 66 66 ILE HD13 H 1 0.5830000 0.02 . 1 . . . . . . . . 4328 1 597 . 1 1 67 67 SER CA C 13 56.16900 0.05 . 1 . . . . . . . . 4328 1 598 . 1 1 67 67 SER CB C 13 65.39500 0.05 . 1 . . . . . . . . 4328 1 599 . 1 1 67 67 SER N N 15 122.1272 0.05 . 1 . . . . . . . . 4328 1 600 . 1 1 67 67 SER H H 1 6.956452 0.02 . 1 . . . . . . . . 4328 1 601 . 1 1 67 67 SER HA H 1 4.546000 0.02 . 1 . . . . . . . . 4328 1 602 . 1 1 67 67 SER HB2 H 1 4.024000 0.02 . 2 . . . . . . . . 4328 1 603 . 1 1 67 67 SER HB3 H 1 4.382000 0.02 . 2 . . . . . . . . 4328 1 604 . 1 1 68 68 GLU CA C 13 60.78900 0.05 . 1 . . . . . . . . 4328 1 605 . 1 1 68 68 GLU CB C 13 28.69300 0.05 . 1 . . . . . . . . 4328 1 606 . 1 1 68 68 GLU CG C 13 36.83900 0.05 . 1 . . . . . . . . 4328 1 607 . 1 1 68 68 GLU N N 15 122.6577 0.05 . 1 . . . . . . . . 4328 1 608 . 1 1 68 68 GLU H H 1 9.055310 0.02 . 1 . . . . . . . . 4328 1 609 . 1 1 68 68 GLU HA H 1 3.712000 0.02 . 1 . . . . . . . . 4328 1 610 . 1 1 68 68 GLU HB2 H 1 2.042000 0.02 . 2 . . . . . . . . 4328 1 611 . 1 1 68 68 GLU HG2 H 1 2.249000 0.02 . 2 . . . . . . . . 4328 1 612 . 1 1 69 69 ALA CA C 13 54.50400 0.05 . 1 . . . . . . . . 4328 1 613 . 1 1 69 69 ALA CB C 13 17.98600 0.05 . 1 . . . . . . . . 4328 1 614 . 1 1 69 69 ALA N N 15 120.7125 0.05 . 1 . . . . . . . . 4328 1 615 . 1 1 69 69 ALA H H 1 8.252680 0.02 . 1 . . . . . . . . 4328 1 616 . 1 1 69 69 ALA HA H 1 4.170000 0.02 . 1 . . . . . . . . 4328 1 617 . 1 1 69 69 ALA HB1 H 1 1.373000 0.02 . 1 . . . . . . . . 4328 1 618 . 1 1 69 69 ALA HB2 H 1 1.373000 0.02 . 1 . . . . . . . . 4328 1 619 . 1 1 69 69 ALA HB3 H 1 1.373000 0.02 . 1 . . . . . . . . 4328 1 620 . 1 1 70 70 LYS CA C 13 58.70300 0.05 . 1 . . . . . . . . 4328 1 621 . 1 1 70 70 LYS CB C 13 31.94000 0.05 . 1 . . . . . . . . 4328 1 622 . 1 1 70 70 LYS CG C 13 24.84700 0.05 . 1 . . . . . . . . 4328 1 623 . 1 1 70 70 LYS CD C 13 28.99100 0.05 . 1 . . . . . . . . 4328 1 624 . 1 1 70 70 LYS CE C 13 41.11900 0.05 . 1 . . . . . . . . 4328 1 625 . 1 1 70 70 LYS N N 15 121.4258 0.05 . 1 . . . . . . . . 4328 1 626 . 1 1 70 70 LYS H H 1 7.728220 0.02 . 1 . . . . . . . . 4328 1 627 . 1 1 70 70 LYS HA H 1 4.020000 0.02 . 1 . . . . . . . . 4328 1 628 . 1 1 70 70 LYS HB2 H 1 1.763000 0.02 . 2 . . . . . . . . 4328 1 629 . 1 1 70 70 LYS HB3 H 1 1.956000 0.02 . 2 . . . . . . . . 4328 1 630 . 1 1 70 70 LYS HG2 H 1 1.520000 0.02 . 2 . . . . . . . . 4328 1 631 . 1 1 71 71 ALA CA C 13 55.17900 0.05 . 1 . . . . . . . . 4328 1 632 . 1 1 71 71 ALA CB C 13 18.38000 0.05 . 1 . . . . . . . . 4328 1 633 . 1 1 71 71 ALA N N 15 123.8669 0.05 . 1 . . . . . . . . 4328 1 634 . 1 1 71 71 ALA H H 1 8.742566 0.02 . 1 . . . . . . . . 4328 1 635 . 1 1 71 71 ALA HA H 1 3.705000 0.02 . 1 . . . . . . . . 4328 1 636 . 1 1 71 71 ALA HB1 H 1 1.298000 0.02 . 1 . . . . . . . . 4328 1 637 . 1 1 71 71 ALA HB2 H 1 1.298000 0.02 . 1 . . . . . . . . 4328 1 638 . 1 1 71 71 ALA HB3 H 1 1.298000 0.02 . 1 . . . . . . . . 4328 1 639 . 1 1 72 72 ASP CA C 13 57.27800 0.05 . 1 . . . . . . . . 4328 1 640 . 1 1 72 72 ASP CB C 13 39.85000 0.05 . 1 . . . . . . . . 4328 1 641 . 1 1 72 72 ASP N N 15 118.1113 0.05 . 1 . . . . . . . . 4328 1 642 . 1 1 72 72 ASP H H 1 8.232890 0.02 . 1 . . . . . . . . 4328 1 643 . 1 1 72 72 ASP HA H 1 4.332000 0.02 . 1 . . . . . . . . 4328 1 644 . 1 1 72 72 ASP HB2 H 1 2.549000 0.02 . 2 . . . . . . . . 4328 1 645 . 1 1 72 72 ASP HB3 H 1 2.722000 0.02 . 2 . . . . . . . . 4328 1 646 . 1 1 73 73 LYS CA C 13 58.77000 0.05 . 1 . . . . . . . . 4328 1 647 . 1 1 73 73 LYS CB C 13 32.12600 0.05 . 1 . . . . . . . . 4328 1 648 . 1 1 73 73 LYS CG C 13 24.77500 0.05 . 1 . . . . . . . . 4328 1 649 . 1 1 73 73 LYS CD C 13 29.11800 0.05 . 1 . . . . . . . . 4328 1 650 . 1 1 73 73 LYS CE C 13 42.32200 0.05 . 1 . . . . . . . . 4328 1 651 . 1 1 73 73 LYS N N 15 123.5192 0.05 . 1 . . . . . . . . 4328 1 652 . 1 1 73 73 LYS H H 1 7.417854 0.02 . 1 . . . . . . . . 4328 1 653 . 1 1 73 73 LYS HA H 1 4.166000 0.02 . 1 . . . . . . . . 4328 1 654 . 1 1 73 73 LYS HB2 H 1 1.897000 0.02 . 2 . . . . . . . . 4328 1 655 . 1 1 73 73 LYS HB3 H 1 2.003000 0.02 . 2 . . . . . . . . 4328 1 656 . 1 1 73 73 LYS HG2 H 1 1.413000 0.02 . 2 . . . . . . . . 4328 1 657 . 1 1 73 73 LYS HD2 H 1 1.634390 0.02 . 2 . . . . . . . . 4328 1 658 . 1 1 73 73 LYS HE2 H 1 2.856598 0.02 . 2 . . . . . . . . 4328 1 659 . 1 1 74 74 ILE CA C 13 66.06900 0.05 . 1 . . . . . . . . 4328 1 660 . 1 1 74 74 ILE CB C 13 38.03000 0.05 . 1 . . . . . . . . 4328 1 661 . 1 1 74 74 ILE CG1 C 13 30.22700 0.05 . 1 . . . . . . . . 4328 1 662 . 1 1 74 74 ILE CG2 C 13 17.94600 0.05 . 1 . . . . . . . . 4328 1 663 . 1 1 74 74 ILE N N 15 121.5239 0.05 . 1 . . . . . . . . 4328 1 664 . 1 1 74 74 ILE H H 1 8.537052 0.02 . 1 . . . . . . . . 4328 1 665 . 1 1 74 74 ILE HA H 1 3.288000 0.02 . 1 . . . . . . . . 4328 1 666 . 1 1 74 74 ILE HB H 1 1.731000 0.02 . 1 . . . . . . . . 4328 1 667 . 1 1 74 74 ILE HG21 H 1 0.5960000 0.02 . 1 . . . . . . . . 4328 1 668 . 1 1 74 74 ILE HG22 H 1 0.5960000 0.02 . 1 . . . . . . . . 4328 1 669 . 1 1 74 74 ILE HG23 H 1 0.5960000 0.02 . 1 . . . . . . . . 4328 1 670 . 1 1 75 75 LEU CA C 13 57.97300 0.05 . 1 . . . . . . . . 4328 1 671 . 1 1 75 75 LEU CB C 13 41.53500 0.05 . 1 . . . . . . . . 4328 1 672 . 1 1 75 75 LEU CG C 13 27.14400 0.05 . 1 . . . . . . . . 4328 1 673 . 1 1 75 75 LEU CD1 C 13 23.40400 0.05 . 2 . . . . . . . . 4328 1 674 . 1 1 75 75 LEU CD2 C 13 24.81500 0.05 . 2 . . . . . . . . 4328 1 675 . 1 1 75 75 LEU N N 15 119.5662 0.05 . 1 . . . . . . . . 4328 1 676 . 1 1 75 75 LEU H H 1 8.366426 0.02 . 1 . . . . . . . . 4328 1 677 . 1 1 75 75 LEU HA H 1 3.812000 0.02 . 1 . . . . . . . . 4328 1 678 . 1 1 75 75 LEU HB2 H 1 1.373018 0.02 . 2 . . . . . . . . 4328 1 679 . 1 1 75 75 LEU HB3 H 1 1.822990 0.02 . 2 . . . . . . . . 4328 1 680 . 1 1 75 75 LEU HD11 H 1 0.8295414 0.02 . 2 . . . . . . . . 4328 1 681 . 1 1 75 75 LEU HD12 H 1 0.8295414 0.02 . 2 . . . . . . . . 4328 1 682 . 1 1 75 75 LEU HD13 H 1 0.8295414 0.02 . 2 . . . . . . . . 4328 1 683 . 1 1 76 76 ALA CA C 13 54.65300 0.05 . 1 . . . . . . . . 4328 1 684 . 1 1 76 76 ALA CB C 13 18.13000 0.05 . 1 . . . . . . . . 4328 1 685 . 1 1 76 76 ALA N N 15 123.3779 0.05 . 1 . . . . . . . . 4328 1 686 . 1 1 76 76 ALA H H 1 7.909736 0.02 . 1 . . . . . . . . 4328 1 687 . 1 1 76 76 ALA HA H 1 4.077000 0.02 . 1 . . . . . . . . 4328 1 688 . 1 1 76 76 ALA HB1 H 1 1.487000 0.02 . 1 . . . . . . . . 4328 1 689 . 1 1 76 76 ALA HB2 H 1 1.487000 0.02 . 1 . . . . . . . . 4328 1 690 . 1 1 76 76 ALA HB3 H 1 1.487000 0.02 . 1 . . . . . . . . 4328 1 691 . 1 1 77 77 GLU CA C 13 57.33300 0.05 . 1 . . . . . . . . 4328 1 692 . 1 1 77 77 GLU CB C 13 28.25800 0.05 . 1 . . . . . . . . 4328 1 693 . 1 1 77 77 GLU CG C 13 35.16500 0.05 . 1 . . . . . . . . 4328 1 694 . 1 1 77 77 GLU N N 15 117.8219 0.05 . 1 . . . . . . . . 4328 1 695 . 1 1 77 77 GLU H H 1 8.260735 0.02 . 1 . . . . . . . . 4328 1 696 . 1 1 77 77 GLU HA H 1 4.220000 0.02 . 1 . . . . . . . . 4328 1 697 . 1 1 77 77 GLU HB2 H 1 1.725000 0.02 . 2 . . . . . . . . 4328 1 698 . 1 1 77 77 GLU HB3 H 1 2.050321 0.02 . 2 . . . . . . . . 4328 1 699 . 1 1 77 77 GLU HG2 H 1 2.322788 0.02 . 2 . . . . . . . . 4328 1 700 . 1 1 77 77 GLU HG3 H 1 2.652291 0.02 . 2 . . . . . . . . 4328 1 701 . 1 1 78 78 ALA CA C 13 55.03900 0.05 . 1 . . . . . . . . 4328 1 702 . 1 1 78 78 ALA CB C 13 17.53300 0.05 . 1 . . . . . . . . 4328 1 703 . 1 1 78 78 ALA N N 15 123.0262 0.05 . 1 . . . . . . . . 4328 1 704 . 1 1 78 78 ALA H H 1 8.638438 0.02 . 1 . . . . . . . . 4328 1 705 . 1 1 78 78 ALA HA H 1 3.768000 0.02 . 1 . . . . . . . . 4328 1 706 . 1 1 78 78 ALA HB1 H 1 1.279000 0.02 . 1 . . . . . . . . 4328 1 707 . 1 1 78 78 ALA HB2 H 1 1.279000 0.02 . 1 . . . . . . . . 4328 1 708 . 1 1 78 78 ALA HB3 H 1 1.279000 0.02 . 1 . . . . . . . . 4328 1 709 . 1 1 79 79 ALA CA C 13 54.23000 0.05 . 1 . . . . . . . . 4328 1 710 . 1 1 79 79 ALA CB C 13 17.88700 0.05 . 1 . . . . . . . . 4328 1 711 . 1 1 79 79 ALA N N 15 118.2211 0.05 . 1 . . . . . . . . 4328 1 712 . 1 1 79 79 ALA H H 1 7.696017 0.02 . 1 . . . . . . . . 4328 1 713 . 1 1 79 79 ALA HA H 1 3.897000 0.02 . 1 . . . . . . . . 4328 1 714 . 1 1 79 79 ALA HB1 H 1 1.420000 0.02 . 1 . . . . . . . . 4328 1 715 . 1 1 79 79 ALA HB2 H 1 1.420000 0.02 . 1 . . . . . . . . 4328 1 716 . 1 1 79 79 ALA HB3 H 1 1.420000 0.02 . 1 . . . . . . . . 4328 1 717 . 1 1 80 80 LYS CA C 13 57.91700 0.05 . 1 . . . . . . . . 4328 1 718 . 1 1 80 80 LYS CB C 13 32.55400 0.05 . 1 . . . . . . . . 4328 1 719 . 1 1 80 80 LYS CG C 13 25.36800 0.05 . 1 . . . . . . . . 4328 1 720 . 1 1 80 80 LYS CD C 13 29.63200 0.05 . 1 . . . . . . . . 4328 1 721 . 1 1 80 80 LYS CE C 13 41.89800 0.05 . 1 . . . . . . . . 4328 1 722 . 1 1 80 80 LYS N N 15 116.1914 0.05 . 1 . . . . . . . . 4328 1 723 . 1 1 80 80 LYS H H 1 7.031946 0.02 . 1 . . . . . . . . 4328 1 724 . 1 1 80 80 LYS HA H 1 4.069000 0.02 . 1 . . . . . . . . 4328 1 725 . 1 1 80 80 LYS HB2 H 1 1.713000 0.02 . 2 . . . . . . . . 4328 1 726 . 1 1 80 80 LYS HB3 H 1 1.937000 0.02 . 2 . . . . . . . . 4328 1 727 . 1 1 80 80 LYS HG2 H 1 1.431000 0.02 . 2 . . . . . . . . 4328 1 728 . 1 1 81 81 LEU CA C 13 54.76800 0.05 . 1 . . . . . . . . 4328 1 729 . 1 1 81 81 LEU CB C 13 43.31200 0.05 . 1 . . . . . . . . 4328 1 730 . 1 1 81 81 LEU CG C 13 26.29500 0.05 . 1 . . . . . . . . 4328 1 731 . 1 1 81 81 LEU CD1 C 13 22.20200 0.05 . 2 . . . . . . . . 4328 1 732 . 1 1 81 81 LEU N N 15 118.8760 0.05 . 1 . . . . . . . . 4328 1 733 . 1 1 81 81 LEU H H 1 7.279928 0.02 . 1 . . . . . . . . 4328 1 734 . 1 1 81 81 LEU HA H 1 4.321000 0.02 . 1 . . . . . . . . 4328 1 735 . 1 1 81 81 LEU HB2 H 1 1.686000 0.02 . 2 . . . . . . . . 4328 1 736 . 1 1 81 81 LEU HB3 H 1 1.832000 0.02 . 2 . . . . . . . . 4328 1 737 . 1 1 81 81 LEU HD11 H 1 0.7419785 0.02 . 2 . . . . . . . . 4328 1 738 . 1 1 81 81 LEU HD12 H 1 0.7419785 0.02 . 2 . . . . . . . . 4328 1 739 . 1 1 81 81 LEU HD13 H 1 0.7419785 0.02 . 2 . . . . . . . . 4328 1 740 . 1 1 82 82 VAL CA C 13 59.72200 0.05 . 1 . . . . . . . . 4328 1 741 . 1 1 82 82 VAL CB C 13 32.38100 0.05 . 1 . . . . . . . . 4328 1 742 . 1 1 82 82 VAL N N 15 119.7020 0.05 . 1 . . . . . . . . 4328 1 743 . 1 1 82 82 VAL H H 1 7.219203 0.02 . 1 . . . . . . . . 4328 1 744 . 1 1 82 82 VAL HA H 1 4.388000 0.02 . 1 . . . . . . . . 4328 1 745 . 1 1 82 82 VAL HB H 1 2.088000 0.02 . 1 . . . . . . . . 4328 1 746 . 1 1 82 82 VAL HG11 H 1 0.7570000 0.02 . 2 . . . . . . . . 4328 1 747 . 1 1 82 82 VAL HG12 H 1 0.7570000 0.02 . 2 . . . . . . . . 4328 1 748 . 1 1 82 82 VAL HG13 H 1 0.7570000 0.02 . 2 . . . . . . . . 4328 1 749 . 1 1 82 82 VAL HG21 H 1 0.8480000 0.02 . 2 . . . . . . . . 4328 1 750 . 1 1 82 82 VAL HG22 H 1 0.8480000 0.02 . 2 . . . . . . . . 4328 1 751 . 1 1 82 82 VAL HG23 H 1 0.8480000 0.02 . 2 . . . . . . . . 4328 1 752 . 1 1 83 83 PRO CA C 13 63.01200 0.05 . 1 . . . . . . . . 4328 1 753 . 1 1 83 83 PRO CB C 13 31.52700 0.05 . 1 . . . . . . . . 4328 1 754 . 1 1 83 83 PRO CG C 13 27.45400 0.05 . 1 . . . . . . . . 4328 1 755 . 1 1 83 83 PRO CD C 13 50.52600 0.05 . 1 . . . . . . . . 4328 1 756 . 1 1 83 83 PRO HA H 1 4.425705 0.02 . 1 . . . . . . . . 4328 1 757 . 1 1 83 83 PRO HB2 H 1 1.889191 0.02 . 2 . . . . . . . . 4328 1 758 . 1 1 83 83 PRO HB3 H 1 2.434830 0.02 . 2 . . . . . . . . 4328 1 759 . 1 1 83 83 PRO HG2 H 1 2.108903 0.02 . 2 . . . . . . . . 4328 1 760 . 1 1 83 83 PRO HG3 H 1 2.201314 0.02 . 2 . . . . . . . . 4328 1 761 . 1 1 83 83 PRO HD2 H 1 3.700957 0.02 . 2 . . . . . . . . 4328 1 762 . 1 1 83 83 PRO HD3 H 1 3.958930 0.02 . 2 . . . . . . . . 4328 1 763 . 1 1 84 84 MET CA C 13 55.72000 0.05 . 1 . . . . . . . . 4328 1 764 . 1 1 84 84 MET CB C 13 32.56200 0.05 . 1 . . . . . . . . 4328 1 765 . 1 1 84 84 MET N N 15 122.8833 0.05 . 1 . . . . . . . . 4328 1 766 . 1 1 84 84 MET H H 1 8.397916 0.02 . 1 . . . . . . . . 4328 1 767 . 1 1 84 84 MET HA H 1 4.439000 0.02 . 1 . . . . . . . . 4328 1 768 . 1 1 84 84 MET HB2 H 1 1.996000 0.02 . 2 . . . . . . . . 4328 1 769 . 1 1 84 84 MET HG2 H 1 2.548000 0.02 . 2 . . . . . . . . 4328 1 770 . 1 1 85 85 GLY CA C 13 45.05900 0.05 . 1 . . . . . . . . 4328 1 771 . 1 1 85 85 GLY N N 15 111.2864 0.05 . 1 . . . . . . . . 4328 1 772 . 1 1 85 85 GLY H H 1 8.305767 0.02 . 1 . . . . . . . . 4328 1 773 . 1 1 85 85 GLY HA2 H 1 3.86600 0.02 . 2 . . . . . . . . 4328 1 774 . 1 1 86 86 PHE CA C 13 57.77900 0.05 . 1 . . . . . . . . 4328 1 775 . 1 1 86 86 PHE CB C 13 39.40400 0.05 . 1 . . . . . . . . 4328 1 776 . 1 1 86 86 PHE N N 15 121.7226 0.05 . 1 . . . . . . . . 4328 1 777 . 1 1 86 86 PHE H H 1 7.961182 0.02 . 1 . . . . . . . . 4328 1 778 . 1 1 86 86 PHE HA H 1 4.591000 0.02 . 1 . . . . . . . . 4328 1 779 . 1 1 86 86 PHE HB2 H 1 3.048000 0.02 . 2 . . . . . . . . 4328 1 780 . 1 1 86 86 PHE HD1 H 1 7.172767 0.02 . 3 . . . . . . . . 4328 1 781 . 1 1 86 86 PHE HE1 H 1 7.260832 0.02 . 3 . . . . . . . . 4328 1 782 . 1 1 87 87 THR CA C 13 61.62800 0.05 . 1 . . . . . . . . 4328 1 783 . 1 1 87 87 THR CB C 13 69.59600 0.05 . 1 . . . . . . . . 4328 1 784 . 1 1 87 87 THR CG2 C 13 21.34500 0.05 . 1 . . . . . . . . 4328 1 785 . 1 1 87 87 THR N N 15 117.0006 0.05 . 1 . . . . . . . . 4328 1 786 . 1 1 87 87 THR H H 1 8.034599 0.02 . 1 . . . . . . . . 4328 1 787 . 1 1 87 87 THR HA H 1 4.332000 0.02 . 1 . . . . . . . . 4328 1 788 . 1 1 87 87 THR HB H 1 4.183000 0.02 . 1 . . . . . . . . 4328 1 789 . 1 1 87 87 THR HG21 H 1 1.152089 0.02 . 1 . . . . . . . . 4328 1 790 . 1 1 87 87 THR HG22 H 1 1.152089 0.02 . 1 . . . . . . . . 4328 1 791 . 1 1 87 87 THR HG23 H 1 1.152089 0.02 . 1 . . . . . . . . 4328 1 792 . 1 1 88 88 THR CA C 13 61.63200 0.05 . 1 . . . . . . . . 4328 1 793 . 1 1 88 88 THR CB C 13 69.59900 0.05 . 1 . . . . . . . . 4328 1 794 . 1 1 88 88 THR CG2 C 13 21.60200 0.05 . 1 . . . . . . . . 4328 1 795 . 1 1 88 88 THR N N 15 117.0730 0.05 . 1 . . . . . . . . 4328 1 796 . 1 1 88 88 THR H H 1 8.004180 0.02 . 1 . . . . . . . . 4328 1 797 . 1 1 88 88 THR HB H 1 4.289000 0.02 . 1 . . . . . . . . 4328 1 798 . 1 1 88 88 THR HG21 H 1 1.186000 0.02 . 1 . . . . . . . . 4328 1 799 . 1 1 88 88 THR HG22 H 1 1.186000 0.02 . 1 . . . . . . . . 4328 1 800 . 1 1 88 88 THR HG23 H 1 1.186000 0.02 . 1 . . . . . . . . 4328 1 801 . 1 1 89 89 ALA CA C 13 52.74800 0.05 . 1 . . . . . . . . 4328 1 802 . 1 1 89 89 ALA CB C 13 18.83900 0.05 . 1 . . . . . . . . 4328 1 803 . 1 1 89 89 ALA N N 15 127.6307 0.05 . 1 . . . . . . . . 4328 1 804 . 1 1 89 89 ALA H H 1 8.283917 0.02 . 1 . . . . . . . . 4328 1 805 . 1 1 89 89 ALA HA H 1 4.287000 0.02 . 1 . . . . . . . . 4328 1 806 . 1 1 89 89 ALA HB1 H 1 1.383000 0.02 . 1 . . . . . . . . 4328 1 807 . 1 1 89 89 ALA HB2 H 1 1.383000 0.02 . 1 . . . . . . . . 4328 1 808 . 1 1 89 89 ALA HB3 H 1 1.383000 0.02 . 1 . . . . . . . . 4328 1 809 . 1 1 90 90 THR CA C 13 62.41800 0.05 . 1 . . . . . . . . 4328 1 810 . 1 1 90 90 THR CB C 13 69.34200 0.05 . 1 . . . . . . . . 4328 1 811 . 1 1 90 90 THR CG2 C 13 21.59800 0.05 . 1 . . . . . . . . 4328 1 812 . 1 1 90 90 THR N N 15 114.7088 0.05 . 1 . . . . . . . . 4328 1 813 . 1 1 90 90 THR H H 1 7.991000 0.02 . 1 . . . . . . . . 4328 1 814 . 1 1 90 90 THR HB H 1 4.169000 0.02 . 1 . . . . . . . . 4328 1 815 . 1 1 90 90 THR HG21 H 1 1.146000 0.02 . 1 . . . . . . . . 4328 1 816 . 1 1 90 90 THR HG22 H 1 1.146000 0.02 . 1 . . . . . . . . 4328 1 817 . 1 1 90 90 THR HG23 H 1 1.146000 0.02 . 1 . . . . . . . . 4328 1 818 . 1 1 91 91 GLU CA C 13 56.91400 0.05 . 1 . . . . . . . . 4328 1 819 . 1 1 91 91 GLU CB C 13 29.81900 0.05 . 1 . . . . . . . . 4328 1 820 . 1 1 91 91 GLU CG C 13 36.01500 0.05 . 1 . . . . . . . . 4328 1 821 . 1 1 91 91 GLU N N 15 124.1593 0.05 . 1 . . . . . . . . 4328 1 822 . 1 1 91 91 GLU H H 1 8.201937 0.02 . 1 . . . . . . . . 4328 1 823 . 1 1 91 91 GLU HA H 1 4.169000 0.02 . 1 . . . . . . . . 4328 1 824 . 1 1 91 91 GLU HB2 H 1 1.879000 0.02 . 2 . . . . . . . . 4328 1 825 . 1 1 91 91 GLU HG2 H 1 2.099000 0.02 . 2 . . . . . . . . 4328 1 826 . 1 1 92 92 PHE CA C 13 58.34300 0.05 . 1 . . . . . . . . 4328 1 827 . 1 1 92 92 PHE CB C 13 39.14900 0.05 . 1 . . . . . . . . 4328 1 828 . 1 1 92 92 PHE N N 15 122.3236 0.05 . 1 . . . . . . . . 4328 1 829 . 1 1 92 92 PHE H H 1 8.071977 0.02 . 1 . . . . . . . . 4328 1 830 . 1 1 92 92 PHE HA H 1 4.402000 0.02 . 1 . . . . . . . . 4328 1 831 . 1 1 92 92 PHE HB2 H 1 2.978000 0.02 . 2 . . . . . . . . 4328 1 832 . 1 1 92 92 PHE HD1 H 1 7.086693 0.02 . 3 . . . . . . . . 4328 1 833 . 1 1 92 92 PHE HE1 H 1 7.272739 0.02 . 3 . . . . . . . . 4328 1 834 . 1 1 93 93 HIS CA C 13 56.44200 0.05 . 1 . . . . . . . . 4328 1 835 . 1 1 93 93 HIS CB C 13 30.19500 0.05 . 1 . . . . . . . . 4328 1 836 . 1 1 93 93 HIS N N 15 121.6556 0.05 . 1 . . . . . . . . 4328 1 837 . 1 1 93 93 HIS H H 1 8.097771 0.02 . 1 . . . . . . . . 4328 1 838 . 1 1 93 93 HIS HA H 1 4.489000 0.02 . 1 . . . . . . . . 4328 1 839 . 1 1 93 93 HIS HB2 H 1 3.032000 0.02 . 2 . . . . . . . . 4328 1 840 . 1 1 93 93 HIS HD2 H 1 7.023530 0.02 . 1 . . . . . . . . 4328 1 841 . 1 1 93 93 HIS HE1 H 1 7.969058 0.02 . 1 . . . . . . . . 4328 1 842 . 1 1 94 94 GLN CA C 13 56.21300 0.05 . 1 . . . . . . . . 4328 1 843 . 1 1 94 94 GLN CB C 13 29.95100 0.05 . 1 . . . . . . . . 4328 1 844 . 1 1 95 95 ARG CA C 13 56.01100 0.05 . 1 . . . . . . . . 4328 1 845 . 1 1 95 95 ARG CB C 13 28.99100 0.05 . 1 . . . . . . . . 4328 1 846 . 1 1 95 95 ARG N N 15 122.5178 0.05 . 1 . . . . . . . . 4328 1 847 . 1 1 95 95 ARG H H 1 8.157928 0.02 . 1 . . . . . . . . 4328 1 848 . 1 1 95 95 ARG HA H 1 4.213000 0.02 . 1 . . . . . . . . 4328 1 849 . 1 1 95 95 ARG HB2 H 1 1.989000 0.02 . 2 . . . . . . . . 4328 1 850 . 1 1 95 95 ARG HB3 H 1 2.305000 0.02 . 2 . . . . . . . . 4328 1 851 . 1 1 96 96 ARG CA C 13 56.24400 0.05 . 1 . . . . . . . . 4328 1 852 . 1 1 96 96 ARG CB C 13 30.40700 0.05 . 1 . . . . . . . . 4328 1 853 . 1 1 96 96 ARG CG C 13 26.89100 0.05 . 1 . . . . . . . . 4328 1 854 . 1 1 96 96 ARG CD C 13 43.15100 0.05 . 1 . . . . . . . . 4328 1 855 . 1 1 96 96 ARG N N 15 123.7221 0.05 . 1 . . . . . . . . 4328 1 856 . 1 1 96 96 ARG HA H 1 4.277000 0.05 . 1 . . . . . . . . 4328 1 857 . 1 1 96 96 ARG HB2 H 1 1.775000 0.02 . 2 . . . . . . . . 4328 1 858 . 1 1 96 96 ARG HG2 H 1 1.618000 0.02 . 2 . . . . . . . . 4328 1 859 . 1 1 96 96 ARG HD2 H 1 3.135057 0.02 . 2 . . . . . . . . 4328 1 860 . 1 1 97 97 SER CA C 13 58.58200 0.05 . 1 . . . . . . . . 4328 1 861 . 1 1 97 97 SER CB C 13 63.39300 0.05 . 1 . . . . . . . . 4328 1 862 . 1 1 97 97 SER N N 15 118.3098 0.05 . 1 . . . . . . . . 4328 1 863 . 1 1 97 97 SER H H 1 8.244724 0.02 . 1 . . . . . . . . 4328 1 864 . 1 1 97 97 SER HA H 1 4.340721 0.02 . 1 . . . . . . . . 4328 1 865 . 1 1 97 97 SER HB2 H 1 3.853000 0.02 . 2 . . . . . . . . 4328 1 866 . 1 1 98 98 GLU CA C 13 56.43900 0.05 . 1 . . . . . . . . 4328 1 867 . 1 1 98 98 GLU CB C 13 30.02000 0.05 . 1 . . . . . . . . 4328 1 868 . 1 1 98 98 GLU CG C 13 36.12200 0.05 . 1 . . . . . . . . 4328 1 869 . 1 1 98 98 GLU N N 15 124.4197 0.05 . 1 . . . . . . . . 4328 1 870 . 1 1 98 98 GLU H H 1 8.330745 0.02 . 1 . . . . . . . . 4328 1 871 . 1 1 98 98 GLU HA H 1 4.284000 0.02 . 1 . . . . . . . . 4328 1 872 . 1 1 98 98 GLU HB2 H 1 1.935000 0.02 . 2 . . . . . . . . 4328 1 873 . 1 1 98 98 GLU HB3 H 1 2.034000 0.02 . 2 . . . . . . . . 4328 1 874 . 1 1 98 98 GLU HG2 H 1 2.245000 0.02 . 2 . . . . . . . . 4328 1 875 . 1 1 99 99 ILE CA C 13 61.02600 0.05 . 1 . . . . . . . . 4328 1 876 . 1 1 99 99 ILE CB C 13 38.22700 0.05 . 1 . . . . . . . . 4328 1 877 . 1 1 99 99 ILE CG1 C 13 27.19000 0.05 . 1 . . . . . . . . 4328 1 878 . 1 1 99 99 ILE CG2 C 13 17.35400 0.05 . 1 . . . . . . . . 4328 1 879 . 1 1 99 99 ILE CD1 C 13 12.73900 0.05 . 1 . . . . . . . . 4328 1 880 . 1 1 99 99 ILE N N 15 123.1802 0.05 . 1 . . . . . . . . 4328 1 881 . 1 1 99 99 ILE H H 1 8.029654 0.02 . 1 . . . . . . . . 4328 1 882 . 1 1 99 99 ILE HA H 1 4.114104 0.02 . 1 . . . . . . . . 4328 1 883 . 1 1 99 99 ILE HB H 1 1.832000 0.02 . 1 . . . . . . . . 4328 1 884 . 1 1 99 99 ILE HG12 H 1 1.461000 0.02 . 2 . . . . . . . . 4328 1 885 . 1 1 99 99 ILE HG21 H 1 1.154000 0.02 . 1 . . . . . . . . 4328 1 886 . 1 1 99 99 ILE HG22 H 1 1.154000 0.02 . 1 . . . . . . . . 4328 1 887 . 1 1 99 99 ILE HG23 H 1 1.154000 0.02 . 1 . . . . . . . . 4328 1 888 . 1 1 99 99 ILE HD11 H 1 0.8392527 0.02 . 1 . . . . . . . . 4328 1 889 . 1 1 99 99 ILE HD12 H 1 0.8392527 0.02 . 1 . . . . . . . . 4328 1 890 . 1 1 99 99 ILE HD13 H 1 0.8392527 0.02 . 1 . . . . . . . . 4328 1 891 . 1 1 100 100 ILE CA C 13 60.79800 0.05 . 1 . . . . . . . . 4328 1 892 . 1 1 100 100 ILE CB C 13 38.23000 0.05 . 1 . . . . . . . . 4328 1 893 . 1 1 100 100 ILE CG1 C 13 27.18400 0.05 . 1 . . . . . . . . 4328 1 894 . 1 1 100 100 ILE CG2 C 13 17.29000 0.05 . 1 . . . . . . . . 4328 1 895 . 1 1 100 100 ILE CD1 C 13 12.55500 0.05 . 1 . . . . . . . . 4328 1 896 . 1 1 100 100 ILE N N 15 126.9850 0.05 . 1 . . . . . . . . 4328 1 897 . 1 1 100 100 ILE H H 1 8.117032 0.02 . 1 . . . . . . . . 4328 1 898 . 1 1 100 100 ILE HA H 1 4.122000 0.02 . 1 . . . . . . . . 4328 1 899 . 1 1 100 100 ILE HB H 1 1.830000 0.02 . 1 . . . . . . . . 4328 1 900 . 1 1 100 100 ILE HG12 H 1 1.450000 0.02 . 2 . . . . . . . . 4328 1 901 . 1 1 100 100 ILE HG21 H 1 1.163000 0.02 . 1 . . . . . . . . 4328 1 902 . 1 1 100 100 ILE HG22 H 1 1.163000 0.02 . 1 . . . . . . . . 4328 1 903 . 1 1 100 100 ILE HG23 H 1 1.163000 0.02 . 1 . . . . . . . . 4328 1 904 . 1 1 100 100 ILE HD11 H 1 0.8460000 0.02 . 1 . . . . . . . . 4328 1 905 . 1 1 100 100 ILE HD12 H 1 0.8460000 0.02 . 1 . . . . . . . . 4328 1 906 . 1 1 100 100 ILE HD13 H 1 0.8460000 0.02 . 1 . . . . . . . . 4328 1 907 . 1 1 101 101 GLN CA C 13 55.51900 0.05 . 1 . . . . . . . . 4328 1 908 . 1 1 101 101 GLN CB C 13 29.28400 0.05 . 1 . . . . . . . . 4328 1 909 . 1 1 101 101 GLN CG C 13 33.63300 0.05 . 1 . . . . . . . . 4328 1 910 . 1 1 101 101 GLN N N 15 126.6181 0.05 . 1 . . . . . . . . 4328 1 911 . 1 1 101 101 GLN H H 1 8.357488 0.02 . 1 . . . . . . . . 4328 1 912 . 1 1 101 101 GLN HA H 1 4.353000 0.02 . 1 . . . . . . . . 4328 1 913 . 1 1 101 101 GLN HB2 H 1 1.943000 0.02 . 2 . . . . . . . . 4328 1 914 . 1 1 101 101 GLN HB3 H 1 2.029000 0.02 . 2 . . . . . . . . 4328 1 915 . 1 1 101 101 GLN HG2 H 1 2.306000 0.02 . 2 . . . . . . . . 4328 1 916 . 1 1 102 102 ILE CA C 13 60.95800 0.05 . 1 . . . . . . . . 4328 1 917 . 1 1 102 102 ILE CB C 13 38.47900 0.05 . 1 . . . . . . . . 4328 1 918 . 1 1 102 102 ILE CG1 C 13 27.07500 0.05 . 1 . . . . . . . . 4328 1 919 . 1 1 102 102 ILE CG2 C 13 17.35100 0.05 . 1 . . . . . . . . 4328 1 920 . 1 1 102 102 ILE CD1 C 13 12.75000 0.05 . 1 . . . . . . . . 4328 1 921 . 1 1 102 102 ILE N N 15 124.6451 0.05 . 1 . . . . . . . . 4328 1 922 . 1 1 102 102 ILE H H 1 8.236801 0.02 . 1 . . . . . . . . 4328 1 923 . 1 1 102 102 ILE HA H 1 4.230000 0.02 . 1 . . . . . . . . 4328 1 924 . 1 1 102 102 ILE HB H 1 1.877000 0.02 . 1 . . . . . . . . 4328 1 925 . 1 1 102 102 ILE HG12 H 1 1.511000 0.02 . 2 . . . . . . . . 4328 1 926 . 1 1 102 102 ILE HG21 H 1 1.197000 0.02 . 1 . . . . . . . . 4328 1 927 . 1 1 102 102 ILE HG22 H 1 1.197000 0.02 . 1 . . . . . . . . 4328 1 928 . 1 1 102 102 ILE HG23 H 1 1.197000 0.02 . 1 . . . . . . . . 4328 1 929 . 1 1 102 102 ILE HD11 H 1 0.8910000 0.02 . 1 . . . . . . . . 4328 1 930 . 1 1 102 102 ILE HD12 H 1 0.8910000 0.02 . 1 . . . . . . . . 4328 1 931 . 1 1 102 102 ILE HD13 H 1 0.8910000 0.02 . 1 . . . . . . . . 4328 1 932 . 1 1 103 103 THR CA C 13 61.44600 0.05 . 1 . . . . . . . . 4328 1 933 . 1 1 103 103 THR CB C 13 69.56400 0.05 . 1 . . . . . . . . 4328 1 934 . 1 1 103 103 THR CG2 C 13 21.34500 0.05 . 1 . . . . . . . . 4328 1 935 . 1 1 103 103 THR N N 15 119.8996 0.05 . 1 . . . . . . . . 4328 1 936 . 1 1 103 103 THR H H 1 8.268383 0.02 . 1 . . . . . . . . 4328 1 937 . 1 1 103 103 THR HA H 1 4.445000 0.02 . 1 . . . . . . . . 4328 1 938 . 1 1 103 103 THR HB H 1 4.250000 0.02 . 1 . . . . . . . . 4328 1 939 . 1 1 103 103 THR HG21 H 1 1.189000 0.02 . 1 . . . . . . . . 4328 1 940 . 1 1 103 103 THR HG22 H 1 1.189000 0.02 . 1 . . . . . . . . 4328 1 941 . 1 1 103 103 THR HG23 H 1 1.189000 0.02 . 1 . . . . . . . . 4328 1 942 . 1 1 104 104 THR CA C 13 61.86000 0.05 . 1 . . . . . . . . 4328 1 943 . 1 1 104 104 THR CB C 13 69.56900 0.05 . 1 . . . . . . . . 4328 1 944 . 1 1 104 104 THR CG2 C 13 21.39600 0.05 . 1 . . . . . . . . 4328 1 945 . 1 1 104 104 THR N N 15 118.0567 0.05 . 1 . . . . . . . . 4328 1 946 . 1 1 104 104 THR H H 1 8.194077 0.02 . 1 . . . . . . . . 4328 1 947 . 1 1 104 104 THR HA H 1 4.340000 0.02 . 1 . . . . . . . . 4328 1 948 . 1 1 104 104 THR HB H 1 4.233000 0.02 . 1 . . . . . . . . 4328 1 949 . 1 1 104 104 THR HG21 H 1 1.205000 0.02 . 1 . . . . . . . . 4328 1 950 . 1 1 104 104 THR HG22 H 1 1.205000 0.02 . 1 . . . . . . . . 4328 1 951 . 1 1 104 104 THR HG23 H 1 1.205000 0.02 . 1 . . . . . . . . 4328 1 952 . 1 1 105 105 GLY CA C 13 45.03900 0.05 . 1 . . . . . . . . 4328 1 953 . 1 1 105 105 GLY N N 15 113.1436 0.05 . 1 . . . . . . . . 4328 1 954 . 1 1 105 105 GLY H H 1 8.407466 0.02 . 1 . . . . . . . . 4328 1 955 . 1 1 105 105 GLY HA2 H 1 4.001000 0.02 . 2 . . . . . . . . 4328 1 956 . 1 1 106 106 SER CA C 13 58.04700 0.05 . 1 . . . . . . . . 4328 1 957 . 1 1 106 106 SER CB C 13 63.60300 0.05 . 1 . . . . . . . . 4328 1 958 . 1 1 106 106 SER N N 15 117.5863 0.05 . 1 . . . . . . . . 4328 1 959 . 1 1 106 106 SER H H 1 8.181786 0.02 . 1 . . . . . . . . 4328 1 960 . 1 1 106 106 SER HA H 1 4.441000 0.02 . 1 . . . . . . . . 4328 1 961 . 1 1 106 106 SER HB2 H 1 3.861000 0.02 . 2 . . . . . . . . 4328 1 962 . 1 1 107 107 LYS CA C 13 56.41100 0.05 . 1 . . . . . . . . 4328 1 963 . 1 1 107 107 LYS CB C 13 32.59700 0.05 . 1 . . . . . . . . 4328 1 964 . 1 1 107 107 LYS CG C 13 24.52800 0.05 . 1 . . . . . . . . 4328 1 965 . 1 1 107 107 LYS CD C 13 28.88500 0.05 . 1 . . . . . . . . 4328 1 966 . 1 1 107 107 LYS CE C 13 41.97334 0.05 . 1 . . . . . . . . 4328 1 967 . 1 1 107 107 LYS N N 15 125.3762 0.05 . 1 . . . . . . . . 4328 1 968 . 1 1 107 107 LYS H H 1 8.417376 0.02 . 1 . . . . . . . . 4328 1 969 . 1 1 107 107 LYS HA H 1 4.316000 0.02 . 1 . . . . . . . . 4328 1 970 . 1 1 107 107 LYS HB2 H 1 1.812000 0.02 . 2 . . . . . . . . 4328 1 971 . 1 1 107 107 LYS HG2 H 1 1.424000 0.02 . 2 . . . . . . . . 4328 1 972 . 1 1 107 107 LYS HE2 H 1 2.981000 0.02 . 2 . . . . . . . . 4328 1 973 . 1 1 108 108 GLU CA C 13 56.66100 0.05 . 1 . . . . . . . . 4328 1 974 . 1 1 108 108 GLU CB C 13 29.70400 0.05 . 1 . . . . . . . . 4328 1 975 . 1 1 108 108 GLU CG C 13 36.15500 0.05 . 1 . . . . . . . . 4328 1 976 . 1 1 108 108 GLU N N 15 123.1199 0.05 . 1 . . . . . . . . 4328 1 977 . 1 1 108 108 GLU H H 1 8.367821 0.02 . 1 . . . . . . . . 4328 1 978 . 1 1 108 108 GLU HA H 1 4.225000 0.02 . 1 . . . . . . . . 4328 1 979 . 1 1 108 108 GLU HB2 H 1 1.915000 0.02 . 2 . . . . . . . . 4328 1 980 . 1 1 108 108 GLU HB3 H 1 2.032000 0.02 . 2 . . . . . . . . 4328 1 981 . 1 1 108 108 GLU HG2 H 1 2.249000 0.02 . 2 . . . . . . . . 4328 1 982 . 1 1 109 109 LEU CA C 13 55.35700 0.05 . 1 . . . . . . . . 4328 1 983 . 1 1 109 109 LEU CB C 13 41.96500 0.05 . 1 . . . . . . . . 4328 1 984 . 1 1 109 109 LEU CG C 13 26.96400 0.05 . 1 . . . . . . . . 4328 1 985 . 1 1 109 109 LEU CD1 C 13 23.13000 0.05 . 2 . . . . . . . . 4328 1 986 . 1 1 109 109 LEU CD2 C 13 24.83100 0.05 . 2 . . . . . . . . 4328 1 987 . 1 1 109 109 LEU N N 15 124.0162 0.05 . 1 . . . . . . . . 4328 1 988 . 1 1 109 109 LEU H H 1 8.101938 0.02 . 1 . . . . . . . . 4328 1 989 . 1 1 109 109 LEU HA H 1 4.229595 0.02 . 1 . . . . . . . . 4328 1 990 . 1 1 109 109 LEU HB2 H 1 1.624000 0.02 . 2 . . . . . . . . 4328 1 991 . 1 1 109 109 LEU HD11 H 1 0.8888118 0.02 . 2 . . . . . . . . 4328 1 992 . 1 1 109 109 LEU HD12 H 1 0.8888118 0.02 . 2 . . . . . . . . 4328 1 993 . 1 1 109 109 LEU HD13 H 1 0.8888118 0.02 . 2 . . . . . . . . 4328 1 994 . 1 1 110 110 ASP CA C 13 54.48900 0.05 . 1 . . . . . . . . 4328 1 995 . 1 1 110 110 ASP CB C 13 40.68700 0.05 . 1 . . . . . . . . 4328 1 996 . 1 1 110 110 ASP N N 15 122.2604 0.05 . 1 . . . . . . . . 4328 1 997 . 1 1 110 110 ASP H H 1 8.197801 0.02 . 1 . . . . . . . . 4328 1 998 . 1 1 110 110 ASP HA H 1 4.493000 0.02 . 1 . . . . . . . . 4328 1 999 . 1 1 110 110 ASP HB2 H 1 2.645000 0.02 . 2 . . . . . . . . 4328 1 1000 . 1 1 111 111 LYS CA C 13 56.23200 0.05 . 1 . . . . . . . . 4328 1 1001 . 1 1 111 111 LYS CB C 13 32.60400 0.05 . 1 . . . . . . . . 4328 1 1002 . 1 1 111 111 LYS CG C 13 24.51800 0.05 . 1 . . . . . . . . 4328 1 1003 . 1 1 111 111 LYS CD C 13 28.97900 0.05 . 1 . . . . . . . . 4328 1 1004 . 1 1 111 111 LYS CE C 13 42.04400 0.05 . 1 . . . . . . . . 4328 1 1005 . 1 1 111 111 LYS N N 15 122.6052 0.05 . 1 . . . . . . . . 4328 1 1006 . 1 1 111 111 LYS H H 1 7.973685 0.02 . 1 . . . . . . . . 4328 1 1007 . 1 1 111 111 LYS HA H 1 4.234000 0.02 . 1 . . . . . . . . 4328 1 1008 . 1 1 111 111 LYS HB2 H 1 1.734000 0.02 . 2 . . . . . . . . 4328 1 1009 . 1 1 111 111 LYS HB3 H 1 1.816000 0.02 . 2 . . . . . . . . 4328 1 1010 . 1 1 111 111 LYS HG2 H 1 1.414000 0.02 . 2 . . . . . . . . 4328 1 1011 . 1 1 111 111 LYS HE2 H 1 2.979000 0.02 . 2 . . . . . . . . 4328 1 1012 . 1 1 112 112 LEU CA C 13 55.12900 0.05 . 1 . . . . . . . . 4328 1 1013 . 1 1 112 112 LEU CB C 13 41.81200 0.05 . 1 . . . . . . . . 4328 1 1014 . 1 1 112 112 LEU CG C 13 26.96000 0.05 . 1 . . . . . . . . 4328 1 1015 . 1 1 112 112 LEU CD1 C 13 23.19800 0.05 . 2 . . . . . . . . 4328 1 1016 . 1 1 112 112 LEU CD2 C 13 24.80500 0.05 . 2 . . . . . . . . 4328 1 1017 . 1 1 112 112 LEU N N 15 123.8266 0.05 . 1 . . . . . . . . 4328 1 1018 . 1 1 112 112 LEU H H 1 8.084210 0.02 . 1 . . . . . . . . 4328 1 1019 . 1 1 112 112 LEU HA H 1 4.285000 0.02 . 1 . . . . . . . . 4328 1 1020 . 1 1 112 112 LEU HB2 H 1 1.632647 0.02 . 2 . . . . . . . . 4328 1 1021 . 1 1 112 112 LEU HD11 H 1 0.8900000 0.02 . 2 . . . . . . . . 4328 1 1022 . 1 1 112 112 LEU HD12 H 1 0.8900000 0.02 . 2 . . . . . . . . 4328 1 1023 . 1 1 112 112 LEU HD13 H 1 0.8900000 0.02 . 2 . . . . . . . . 4328 1 1024 . 1 1 113 113 LEU CA C 13 54.70100 0.05 . 1 . . . . . . . . 4328 1 1025 . 1 1 113 113 LEU CB C 13 41.81300 0.05 . 1 . . . . . . . . 4328 1 1026 . 1 1 113 113 LEU CG C 13 26.93000 0.05 . 1 . . . . . . . . 4328 1 1027 . 1 1 113 113 LEU CD1 C 13 23.05900 0.05 . 2 . . . . . . . . 4328 1 1028 . 1 1 113 113 LEU CD2 C 13 24.94800 0.05 . 2 . . . . . . . . 4328 1 1029 . 1 1 113 113 LEU N N 15 124.4947 0.05 . 1 . . . . . . . . 4328 1 1030 . 1 1 113 113 LEU H H 1 8.022447 0.02 . 1 . . . . . . . . 4328 1 1031 . 1 1 113 113 LEU HA H 1 4.366000 0.02 . 1 . . . . . . . . 4328 1 1032 . 1 1 113 113 LEU HB2 H 1 1.628000 0.02 . 2 . . . . . . . . 4328 1 1033 . 1 1 113 113 LEU HD11 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 1034 . 1 1 113 113 LEU HD12 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 1035 . 1 1 113 113 LEU HD13 H 1 0.8860000 0.02 . 2 . . . . . . . . 4328 1 1036 . 1 1 114 114 GLN CA C 13 57.24800 0.05 . 1 . . . . . . . . 4328 1 1037 . 1 1 114 114 GLN CB C 13 30.41300 0.05 . 1 . . . . . . . . 4328 1 1038 . 1 1 114 114 GLN N N 15 127.4527 0.05 . 1 . . . . . . . . 4328 1 1039 . 1 1 114 114 GLN H H 1 7.716180 0.02 . 1 . . . . . . . . 4328 1 1040 . 1 1 114 114 GLN HA H 1 4.131000 0.02 . 1 . . . . . . . . 4328 1 1041 . 1 1 114 114 GLN HB2 H 1 1.897000 0.02 . 2 . . . . . . . . 4328 1 1042 . 1 1 114 114 GLN HB3 H 1 2.092000 0.02 . 2 . . . . . . . . 4328 1 1043 . 1 1 114 114 GLN HG2 H 1 2.256000 0.02 . 2 . . . . . . . . 4328 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4328 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The chemical shifts in this saveframe are values for the minor conformation (Two sets of peaks were observed for a certain region) ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4328 2 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 21 21 GLY CA C 13 44.17500 0.05 . 1 . . . . . . . . 4328 2 2 . 1 1 21 21 GLY N N 15 128.45 0.05 . 1 . . . . . . . . 4328 2 3 . 1 1 21 21 GLY H H 1 8.074 0.02 . 1 . . . . . . . . 4328 2 4 . 1 1 21 21 GLY HA2 H 1 3.657 0.02 . 2 . . . . . . . . 4328 2 5 . 1 1 21 21 GLY HA3 H 1 4.074 0.02 . 2 . . . . . . . . 4328 2 6 . 1 1 23 23 GLN N N 15 127.13 0.05 . 1 . . . . . . . . 4328 2 7 . 1 1 23 23 GLN H H 1 10.678 0.02 . 1 . . . . . . . . 4328 2 8 . 1 1 23 23 GLN HA H 1 4.855 0.02 . 1 . . . . . . . . 4328 2 9 . 1 1 23 23 GLN HB2 H 1 1.994 0.02 . 2 . . . . . . . . 4328 2 10 . 1 1 49 49 VAL N N 15 123.00 0.05 . 1 . . . . . . . . 4328 2 11 . 1 1 49 49 VAL H H 1 8.911 0.02 . 1 . . . . . . . . 4328 2 12 . 1 1 49 49 VAL HA H 1 3.341 0.02 . 1 . . . . . . . . 4328 2 13 . 1 1 49 49 VAL HB H 1 1.800 0.02 . 1 . . . . . . . . 4328 2 14 . 1 1 49 49 VAL HG11 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2 15 . 1 1 49 49 VAL HG12 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2 16 . 1 1 49 49 VAL HG13 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2 17 . 1 1 50 50 GLU CA C 13 62.13 0.05 . 1 . . . . . . . . 4328 2 18 . 1 1 50 50 GLU N N 15 123.16 0.05 . 1 . . . . . . . . 4328 2 19 . 1 1 50 50 GLU H H 1 10.407 0.02 . 1 . . . . . . . . 4328 2 20 . 1 1 50 50 GLU HA H 1 3.552 0.02 . 1 . . . . . . . . 4328 2 21 . 1 1 50 50 GLU HB2 H 1 1.811 0.02 . 2 . . . . . . . . 4328 2 22 . 1 1 50 50 GLU HB3 H 1 2.128 0.02 . 2 . . . . . . . . 4328 2 23 . 1 1 51 51 ALA N N 15 120.07 0.05 . 1 . . . . . . . . 4328 2 24 . 1 1 51 51 ALA H H 1 7.892 0.02 . 1 . . . . . . . . 4328 2 25 . 1 1 51 51 ALA HA H 1 4.160 0.02 . 1 . . . . . . . . 4328 2 26 . 1 1 51 51 ALA HB1 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2 27 . 1 1 51 51 ALA HB2 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2 28 . 1 1 51 51 ALA HB3 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2 stop_ save_