data_6570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6570 _Entry.Title ; NMR Assignments of the F-actin binding domain of human Bcr-Abl/c-Abl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-24 _Entry.Accession_date 2005-03-28 _Entry.Last_release_date 2005-10-24 _Entry.Original_release_date 2005-10-24 _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 Silke Wiesner . . . 6570 2 Oliver Hantschel . . . 6570 3 Cameron Mackereth . D. . 6570 4 Giulio Superti-Furga . . . 6570 5 Michael Sattler . . . 6570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 763 6570 '13C chemical shifts' 499 6570 '15N chemical shifts' 137 6570 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 . . 2005-10-24 2005-03-24 original author . 6570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16211486 _Citation.Full_citation . _Citation.Title ; NMR Assignment Reveals an alpha-Helical Fold for the F-Actin Binding Domain of Human Bcr-Abl/c-Abl ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 335 _Citation.Page_last 335 _Citation.Year 2005 _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 Silke Wiesner . . . 6570 1 2 Oliver Hantschel . . . 6570 1 3 Cameron Mackereth . D. . 6570 1 4 Giulio Superti-Furga . . . 6570 1 5 Michael Sattler . . . 6570 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Bcr-Abl 6570 1 c-Abl 6570 1 'tyrosine kinase' 6570 1 'F-actin binding domain' 6570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FABD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FABD _Assembly.Entry_ID 6570 _Assembly.ID 1 _Assembly.Name 'F-actin binding domain of human Bcr-Abl/c-Abl' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.112 _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 6570 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 'c-Abl, FABD' 1 $FABD . . . native . . . . . 6570 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'F-actin binding domain of human Bcr-Abl/c-Abl' system 6570 1 FABD abbreviation 6570 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'non-recpetor tyrosin kinase' 6570 1 'F-actin binding' 6570 1 'cell adhesion' 6570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FABD _Entity.Sf_category entity _Entity.Sf_framecode FABD _Entity.Entry_ID 6570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F-actin binding domain of cellular Abelson tyrosine kinase' _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 ; GAMASTRVSLRKTRQPPERI ASGAITKGVVLDSTEALCLA ISRNSEQMASHSAVLEAGKN LYSFCVSYVDSIQQMRNKFA FREAINKLENNLRELQICPA TAGSGPAATQDFSKLLSSVK EISDIVQRLE ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10251 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZZP . "Solution Structure Of The F-Actin Binding Domain Of Bcr- AblC-Abl" . . . . . 100.00 130 100.00 100.00 1.12e-88 . . . . 6570 1 2 no DBJ BAD92693 . "v-abl Abelson murine leukemia viral oncogene homolog 1 isoform b variant [Homo sapiens]" . . . . . 96.92 1167 97.62 99.21 3.71e-76 . . . . 6570 1 3 no DBJ BAD92879 . "Proto-oncogene tyrosine-protein kinase ABL1 variant [Homo sapiens]" . . . . . 96.92 949 97.62 99.21 1.27e-76 . . . . 6570 1 4 no DBJ BAG10808 . "proto-oncogene tyrosine-protein kinase ABL1 [synthetic construct]" . . . . . 96.92 1149 97.62 99.21 2.73e-76 . . . . 6570 1 5 no DBJ BAG58052 . "unnamed protein product [Homo sapiens]" . . . . . 95.38 581 97.58 99.19 3.56e-79 . . . . 6570 1 6 no EMBL CAA34438 . "unnamed protein product [Homo sapiens]" . . . . . 96.92 1130 97.62 99.21 3.92e-76 . . . . 6570 1 7 no GB AAB60393 . "proto-oncogene tyrosine-protein kinase [Homo sapiens]" . . . . . 96.92 1149 97.62 99.21 2.73e-76 . . . . 6570 1 8 no GB AAB60394 . "proto-oncogene tyrosine-protein kinase [Homo sapiens]" . . . . . 96.92 1130 97.62 99.21 3.92e-76 . . . . 6570 1 9 no GB AAI07070 . "ABL1 protein, partial [Homo sapiens]" . . . . . 95.38 396 99.19 100.00 9.11e-83 . . . . 6570 1 10 no GB AAI07071 . "ABL1 protein, partial [Homo sapiens]" . . . . . 95.38 396 99.19 100.00 6.31e-83 . . . . 6570 1 11 no GB AAI17452 . "C-abl oncogene 1, receptor tyrosine kinase [Homo sapiens]" . . . . . 96.92 1149 97.62 99.21 2.73e-76 . . . . 6570 1 12 no REF NP_005148 . "tyrosine-protein kinase ABL1 isoform a [Homo sapiens]" . . . . . 96.92 1130 97.62 99.21 3.92e-76 . . . . 6570 1 13 no REF NP_009297 . "tyrosine-protein kinase ABL1 isoform b [Homo sapiens]" . . . . . 96.92 1149 97.62 99.21 2.73e-76 . . . . 6570 1 14 no REF XP_001118598 . "PREDICTED: tyrosine-protein kinase ABL1-like [Macaca mulatta]" . . . . . 96.92 853 97.62 99.21 4.34e-77 . . . . 6570 1 15 no REF XP_001166213 . "PREDICTED: tyrosine-protein kinase ABL1 [Pan troglodytes]" . . . . . 96.92 1149 97.62 99.21 2.96e-76 . . . . 6570 1 16 no REF XP_003276793 . "PREDICTED: LOW QUALITY PROTEIN: tyrosine-protein kinase ABL1 [Nomascus leucogenys]" . . . . . 96.92 1058 97.62 99.21 3.70e-76 . . . . 6570 1 17 no SP P00519 . "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" . . . . . 96.92 1130 97.62 99.21 3.92e-76 . . . . 6570 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'F-actin binding domain of cellular Abelson tyrosine kinase' common 6570 1 c-Abl abbreviation 6570 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 10 GLY . 6570 1 2 11 ALA . 6570 1 3 12 MET . 6570 1 4 13 ALA . 6570 1 5 14 SER . 6570 1 6 15 THR . 6570 1 7 16 ARG . 6570 1 8 17 VAL . 6570 1 9 18 SER . 6570 1 10 19 LEU . 6570 1 11 20 ARG . 6570 1 12 21 LYS . 6570 1 13 22 THR . 6570 1 14 23 ARG . 6570 1 15 24 GLN . 6570 1 16 25 PRO . 6570 1 17 26 PRO . 6570 1 18 27 GLU . 6570 1 19 28 ARG . 6570 1 20 29 ILE . 6570 1 21 30 ALA . 6570 1 22 31 SER . 6570 1 23 32 GLY . 6570 1 24 33 ALA . 6570 1 25 34 ILE . 6570 1 26 35 THR . 6570 1 27 36 LYS . 6570 1 28 37 GLY . 6570 1 29 38 VAL . 6570 1 30 39 VAL . 6570 1 31 40 LEU . 6570 1 32 41 ASP . 6570 1 33 42 SER . 6570 1 34 43 THR . 6570 1 35 44 GLU . 6570 1 36 45 ALA . 6570 1 37 46 LEU . 6570 1 38 47 CYS . 6570 1 39 48 LEU . 6570 1 40 49 ALA . 6570 1 41 50 ILE . 6570 1 42 51 SER . 6570 1 43 52 ARG . 6570 1 44 53 ASN . 6570 1 45 54 SER . 6570 1 46 55 GLU . 6570 1 47 56 GLN . 6570 1 48 57 MET . 6570 1 49 58 ALA . 6570 1 50 59 SER . 6570 1 51 60 HIS . 6570 1 52 61 SER . 6570 1 53 62 ALA . 6570 1 54 63 VAL . 6570 1 55 64 LEU . 6570 1 56 65 GLU . 6570 1 57 66 ALA . 6570 1 58 67 GLY . 6570 1 59 68 LYS . 6570 1 60 69 ASN . 6570 1 61 70 LEU . 6570 1 62 71 TYR . 6570 1 63 72 SER . 6570 1 64 73 PHE . 6570 1 65 74 CYS . 6570 1 66 75 VAL . 6570 1 67 76 SER . 6570 1 68 77 TYR . 6570 1 69 78 VAL . 6570 1 70 79 ASP . 6570 1 71 80 SER . 6570 1 72 81 ILE . 6570 1 73 82 GLN . 6570 1 74 83 GLN . 6570 1 75 84 MET . 6570 1 76 85 ARG . 6570 1 77 86 ASN . 6570 1 78 87 LYS . 6570 1 79 88 PHE . 6570 1 80 89 ALA . 6570 1 81 90 PHE . 6570 1 82 91 ARG . 6570 1 83 92 GLU . 6570 1 84 93 ALA . 6570 1 85 94 ILE . 6570 1 86 95 ASN . 6570 1 87 96 LYS . 6570 1 88 97 LEU . 6570 1 89 98 GLU . 6570 1 90 99 ASN . 6570 1 91 100 ASN . 6570 1 92 101 LEU . 6570 1 93 102 ARG . 6570 1 94 103 GLU . 6570 1 95 104 LEU . 6570 1 96 105 GLN . 6570 1 97 106 ILE . 6570 1 98 107 CYS . 6570 1 99 108 PRO . 6570 1 100 109 ALA . 6570 1 101 110 THR . 6570 1 102 111 ALA . 6570 1 103 112 GLY . 6570 1 104 113 SER . 6570 1 105 114 GLY . 6570 1 106 115 PRO . 6570 1 107 116 ALA . 6570 1 108 117 ALA . 6570 1 109 118 THR . 6570 1 110 119 GLN . 6570 1 111 120 ASP . 6570 1 112 121 PHE . 6570 1 113 122 SER . 6570 1 114 123 LYS . 6570 1 115 124 LEU . 6570 1 116 125 LEU . 6570 1 117 126 SER . 6570 1 118 127 SER . 6570 1 119 128 VAL . 6570 1 120 129 LYS . 6570 1 121 130 GLU . 6570 1 122 131 ILE . 6570 1 123 132 SER . 6570 1 124 133 ASP . 6570 1 125 134 ILE . 6570 1 126 135 VAL . 6570 1 127 136 GLN . 6570 1 128 137 ARG . 6570 1 129 138 LEU . 6570 1 130 139 GLU . 6570 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 . GLY 1 1 6570 1 . ALA 2 2 6570 1 . MET 3 3 6570 1 . ALA 4 4 6570 1 . SER 5 5 6570 1 . THR 6 6 6570 1 . ARG 7 7 6570 1 . VAL 8 8 6570 1 . SER 9 9 6570 1 . LEU 10 10 6570 1 . ARG 11 11 6570 1 . LYS 12 12 6570 1 . THR 13 13 6570 1 . ARG 14 14 6570 1 . GLN 15 15 6570 1 . PRO 16 16 6570 1 . PRO 17 17 6570 1 . GLU 18 18 6570 1 . ARG 19 19 6570 1 . ILE 20 20 6570 1 . ALA 21 21 6570 1 . SER 22 22 6570 1 . GLY 23 23 6570 1 . ALA 24 24 6570 1 . ILE 25 25 6570 1 . THR 26 26 6570 1 . LYS 27 27 6570 1 . GLY 28 28 6570 1 . VAL 29 29 6570 1 . VAL 30 30 6570 1 . LEU 31 31 6570 1 . ASP 32 32 6570 1 . SER 33 33 6570 1 . THR 34 34 6570 1 . GLU 35 35 6570 1 . ALA 36 36 6570 1 . LEU 37 37 6570 1 . CYS 38 38 6570 1 . LEU 39 39 6570 1 . ALA 40 40 6570 1 . ILE 41 41 6570 1 . SER 42 42 6570 1 . ARG 43 43 6570 1 . ASN 44 44 6570 1 . SER 45 45 6570 1 . GLU 46 46 6570 1 . GLN 47 47 6570 1 . MET 48 48 6570 1 . ALA 49 49 6570 1 . SER 50 50 6570 1 . HIS 51 51 6570 1 . SER 52 52 6570 1 . ALA 53 53 6570 1 . VAL 54 54 6570 1 . LEU 55 55 6570 1 . GLU 56 56 6570 1 . ALA 57 57 6570 1 . GLY 58 58 6570 1 . LYS 59 59 6570 1 . ASN 60 60 6570 1 . LEU 61 61 6570 1 . TYR 62 62 6570 1 . SER 63 63 6570 1 . PHE 64 64 6570 1 . CYS 65 65 6570 1 . VAL 66 66 6570 1 . SER 67 67 6570 1 . TYR 68 68 6570 1 . VAL 69 69 6570 1 . ASP 70 70 6570 1 . SER 71 71 6570 1 . ILE 72 72 6570 1 . GLN 73 73 6570 1 . GLN 74 74 6570 1 . MET 75 75 6570 1 . ARG 76 76 6570 1 . ASN 77 77 6570 1 . LYS 78 78 6570 1 . PHE 79 79 6570 1 . ALA 80 80 6570 1 . PHE 81 81 6570 1 . ARG 82 82 6570 1 . GLU 83 83 6570 1 . ALA 84 84 6570 1 . ILE 85 85 6570 1 . ASN 86 86 6570 1 . LYS 87 87 6570 1 . LEU 88 88 6570 1 . GLU 89 89 6570 1 . ASN 90 90 6570 1 . ASN 91 91 6570 1 . LEU 92 92 6570 1 . ARG 93 93 6570 1 . GLU 94 94 6570 1 . LEU 95 95 6570 1 . GLN 96 96 6570 1 . ILE 97 97 6570 1 . CYS 98 98 6570 1 . PRO 99 99 6570 1 . ALA 100 100 6570 1 . THR 101 101 6570 1 . ALA 102 102 6570 1 . GLY 103 103 6570 1 . SER 104 104 6570 1 . GLY 105 105 6570 1 . PRO 106 106 6570 1 . ALA 107 107 6570 1 . ALA 108 108 6570 1 . THR 109 109 6570 1 . GLN 110 110 6570 1 . ASP 111 111 6570 1 . PHE 112 112 6570 1 . SER 113 113 6570 1 . LYS 114 114 6570 1 . LEU 115 115 6570 1 . LEU 116 116 6570 1 . SER 117 117 6570 1 . SER 118 118 6570 1 . VAL 119 119 6570 1 . LYS 120 120 6570 1 . GLU 121 121 6570 1 . ILE 122 122 6570 1 . SER 123 123 6570 1 . ASP 124 124 6570 1 . ILE 125 125 6570 1 . VAL 126 126 6570 1 . GLN 127 127 6570 1 . ARG 128 128 6570 1 . LEU 129 129 6570 1 . GLU 130 130 6570 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 6570 _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 $FABD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . nucleus/cytoplasm . . . ABL1 . . . . 6570 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 6570 _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 $FABD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . 'pETM30 (modified pET24d)' . . . . . . 6570 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled_sample _Sample.Entry_ID 6570 _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 'F-actin binding domain of cellular Abelson tyrosine kinase' '[U-100% 15N]' . . 1 $FABD . . 1.0 . . mM . . . . 6570 1 stop_ save_ save_15N-13C-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-labeled_sample _Sample.Entry_ID 6570 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F-actin binding domain of cellular Abelson tyrosine kinase' '[U-100% 13C; U-100% 15N]' . . 1 $FABD . . 1.0 . . mM . . . . 6570 2 stop_ save_ ####################### # Sample conditions # ####################### save_ExpCondition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ExpCondition _Sample_condition_list.Entry_ID 6570 _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 6.3 0.1 pH 6570 1 temperature 295 0.5 K 6570 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6570 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6570 1 stop_ save_ save_NMRPipe-NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRPipe-NMRDraw _Software.Entry_ID 6570 _Software.ID 2 _Software.Name NMRPipe-NMRDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6570 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6570 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6570 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6570 _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 DRX . 500 . . . 6570 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 6570 1 3 NMR_spectrometer_3 Bruker DRX . 900 . . . 6570 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 6570 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HN-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 3 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 5 HNHA-J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 7 CBCACO(N)H . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 8 HN-HSQC-NOESY-(H)C-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 9 HC-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 10 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 11 (H)C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 12 HC(C)H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 13 13C-HMQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 14 15N-HSQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6570 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HN-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA-J _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACO(N)H _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN-HSQC-NOESY-(H)C-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HC-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HC(C)H-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 13C-HMQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6570 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 15N-HSQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6570 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.79 internal direct 1.0 internal cylindrical parallel . . 'temperature, salt, pH' . . . 6570 1 C 13 H2O protons . . . . ppm 4.79 external indirect 0.251449530 . . . . . . . . . 6570 1 N 15 H2O protons . . . . ppm 4.79 external indirect 0.101329118 . . . . . . . . . 6570 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_ChemShifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ChemShifts _Assigned_chem_shift_list.Entry_ID 6570 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ExpCondition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $15N-labeled_sample . 6570 1 . . 2 $15N-13C-labeled_sample . 6570 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 5 5 SER H H 1 8.425 0.030 . 1 . . . . . . . . 6570 1 2 . 1 1 5 5 SER N N 15 115.528 0.100 . 1 . . . . . . . . 6570 1 3 . 1 1 5 5 SER CA C 13 55.511 0.300 . 1 . . . . . . . . 6570 1 4 . 1 1 5 5 SER HA H 1 4.218 0.030 . 1 . . . . . . . . 6570 1 5 . 1 1 5 5 SER C C 13 172.119 0.300 . 1 . . . . . . . . 6570 1 6 . 1 1 6 6 THR H H 1 8.115 0.030 . 1 . . . . . . . . 6570 1 7 . 1 1 6 6 THR N N 15 116.426 0.100 . 1 . . . . . . . . 6570 1 8 . 1 1 6 6 THR HA H 1 4.709 0.030 . 1 . . . . . . . . 6570 1 9 . 1 1 6 6 THR C C 13 171.393 0.300 . 1 . . . . . . . . 6570 1 10 . 1 1 6 6 THR CG2 C 13 18.953 0.300 . 1 . . . . . . . . 6570 1 11 . 1 1 6 6 THR HG21 H 1 1.047 0.030 . 1 . . . . . . . . 6570 1 12 . 1 1 6 6 THR HG22 H 1 1.047 0.030 . 1 . . . . . . . . 6570 1 13 . 1 1 6 6 THR HG23 H 1 1.047 0.030 . 1 . . . . . . . . 6570 1 14 . 1 1 7 7 ARG H H 1 8.265 0.030 . 1 . . . . . . . . 6570 1 15 . 1 1 7 7 ARG N N 15 123.919 0.100 . 1 . . . . . . . . 6570 1 16 . 1 1 7 7 ARG C C 13 173.401 0.300 . 1 . . . . . . . . 6570 1 17 . 1 1 8 8 VAL H H 1 8.104 0.030 . 1 . . . . . . . . 6570 1 18 . 1 1 8 8 VAL N N 15 121.990 0.100 . 1 . . . . . . . . 6570 1 19 . 1 1 8 8 VAL CA C 13 59.686 0.300 . 1 . . . . . . . . 6570 1 20 . 1 1 8 8 VAL HA H 1 4.001 0.034 . 1 . . . . . . . . 6570 1 21 . 1 1 8 8 VAL C C 13 173.401 0.300 . 1 . . . . . . . . 6570 1 22 . 1 1 8 8 VAL CB C 13 29.885 0.300 . 1 . . . . . . . . 6570 1 23 . 1 1 8 8 VAL HB H 1 1.950 0.039 . 1 . . . . . . . . 6570 1 24 . 1 1 8 8 VAL CG2 C 13 17.888 0.300 . 1 . . . . . . . . 6570 1 25 . 1 1 8 8 VAL HG21 H 1 0.846 0.036 . 2 . . . . . . . . 6570 1 26 . 1 1 8 8 VAL HG22 H 1 0.846 0.036 . 2 . . . . . . . . 6570 1 27 . 1 1 8 8 VAL HG23 H 1 0.846 0.036 . 2 . . . . . . . . 6570 1 28 . 1 1 9 9 SER H H 1 8.313 0.030 . 1 . . . . . . . . 6570 1 29 . 1 1 9 9 SER N N 15 119.772 0.100 . 1 . . . . . . . . 6570 1 30 . 1 1 9 9 SER C C 13 171.665 0.300 . 1 . . . . . . . . 6570 1 31 . 1 1 10 10 LEU H H 1 8.245 0.030 . 1 . . . . . . . . 6570 1 32 . 1 1 10 10 LEU N N 15 125.077 0.100 . 1 . . . . . . . . 6570 1 33 . 1 1 10 10 LEU CA C 13 52.685 0.300 . 1 . . . . . . . . 6570 1 34 . 1 1 10 10 LEU HA H 1 4.272 0.030 . 1 . . . . . . . . 6570 1 35 . 1 1 10 10 LEU C C 13 174.540 0.300 . 1 . . . . . . . . 6570 1 36 . 1 1 10 10 LEU CB C 13 40.270 0.300 . 1 . . . . . . . . 6570 1 37 . 1 1 10 10 LEU HB2 H 1 1.609 0.030 . 1 . . . . . . . . 6570 1 38 . 1 1 10 10 LEU HD11 H 1 0.805 0.030 . 2 . . . . . . . . 6570 1 39 . 1 1 10 10 LEU HD12 H 1 0.805 0.030 . 2 . . . . . . . . 6570 1 40 . 1 1 10 10 LEU HD13 H 1 0.805 0.030 . 2 . . . . . . . . 6570 1 41 . 1 1 11 11 ARG H H 1 8.160 0.030 . 1 . . . . . . . . 6570 1 42 . 1 1 11 11 ARG N N 15 121.894 0.100 . 1 . . . . . . . . 6570 1 43 . 1 1 11 11 ARG CA C 13 53.615 0.300 . 1 . . . . . . . . 6570 1 44 . 1 1 11 11 ARG HA H 1 4.218 0.030 . 1 . . . . . . . . 6570 1 45 . 1 1 11 11 ARG C C 13 173.498 0.300 . 1 . . . . . . . . 6570 1 46 . 1 1 11 11 ARG HD2 H 1 3.021 0.030 . 1 . . . . . . . . 6570 1 47 . 1 1 12 12 LYS H H 1 8.305 0.030 . 1 . . . . . . . . 6570 1 48 . 1 1 12 12 LYS N N 15 123.244 0.100 . 1 . . . . . . . . 6570 1 49 . 1 1 12 12 LYS C C 13 173.934 0.300 . 1 . . . . . . . . 6570 1 50 . 1 1 13 13 THR H H 1 8.050 0.030 . 1 . . . . . . . . 6570 1 51 . 1 1 13 13 THR N N 15 115.720 0.100 . 1 . . . . . . . . 6570 1 52 . 1 1 13 13 THR CA C 13 59.146 0.300 . 1 . . . . . . . . 6570 1 53 . 1 1 13 13 THR HA H 1 4.235 0.035 . 1 . . . . . . . . 6570 1 54 . 1 1 13 13 THR C C 13 171.484 0.300 . 1 . . . . . . . . 6570 1 55 . 1 1 13 13 THR HB H 1 4.119 0.030 . 1 . . . . . . . . 6570 1 56 . 1 1 13 13 THR CG2 C 13 18.953 0.300 . 1 . . . . . . . . 6570 1 57 . 1 1 13 13 THR HG21 H 1 1.102 0.038 . 1 . . . . . . . . 6570 1 58 . 1 1 13 13 THR HG22 H 1 1.102 0.038 . 1 . . . . . . . . 6570 1 59 . 1 1 13 13 THR HG23 H 1 1.102 0.038 . 1 . . . . . . . . 6570 1 60 . 1 1 14 14 ARG H H 1 8.324 0.030 . 1 . . . . . . . . 6570 1 61 . 1 1 14 14 ARG N N 15 123.630 0.100 . 1 . . . . . . . . 6570 1 62 . 1 1 14 14 ARG CA C 13 53.214 0.300 . 1 . . . . . . . . 6570 1 63 . 1 1 14 14 ARG HA H 1 4.229 0.034 . 1 . . . . . . . . 6570 1 64 . 1 1 14 14 ARG C C 13 173.098 0.300 . 1 . . . . . . . . 6570 1 65 . 1 1 14 14 ARG CB C 13 28.135 0.300 . 1 . . . . . . . . 6570 1 66 . 1 1 14 14 ARG HB2 H 1 1.697 0.033 . 1 . . . . . . . . 6570 1 67 . 1 1 14 14 ARG CG C 13 23.820 0.300 . 1 . . . . . . . . 6570 1 68 . 1 1 14 14 ARG HG2 H 1 1.528 0.034 . 1 . . . . . . . . 6570 1 69 . 1 1 14 14 ARG CD C 13 40.809 0.300 . 1 . . . . . . . . 6570 1 70 . 1 1 14 14 ARG HD2 H 1 3.094 0.033 . 1 . . . . . . . . 6570 1 71 . 1 1 15 15 GLN H H 1 8.367 0.030 . 1 . . . . . . . . 6570 1 72 . 1 1 15 15 GLN N N 15 123.556 0.100 . 1 . . . . . . . . 6570 1 73 . 1 1 15 15 GLN CA C 13 50.787 0.300 . 1 . . . . . . . . 6570 1 74 . 1 1 15 15 GLN HA H 1 4.516 0.038 . 1 . . . . . . . . 6570 1 75 . 1 1 15 15 GLN CB C 13 25.977 0.300 . 1 . . . . . . . . 6570 1 76 . 1 1 15 15 GLN HB2 H 1 1.979 0.035 . 1 . . . . . . . . 6570 1 77 . 1 1 15 15 GLN CG C 13 30.562 0.300 . 1 . . . . . . . . 6570 1 78 . 1 1 15 15 GLN HG2 H 1 2.280 0.034 . 1 . . . . . . . . 6570 1 79 . 1 1 15 15 GLN NE2 N 15 112.730 0.100 . 1 . . . . . . . . 6570 1 80 . 1 1 15 15 GLN HE21 H 1 7.469 0.030 . 1 . . . . . . . . 6570 1 81 . 1 1 15 15 GLN HE22 H 1 6.788 0.030 . 1 . . . . . . . . 6570 1 82 . 1 1 16 16 PRO CA C 13 58.877 0.300 . 1 . . . . . . . . 6570 1 83 . 1 1 16 16 PRO HA H 1 4.589 0.036 . 1 . . . . . . . . 6570 1 84 . 1 1 16 16 PRO CB C 13 28.135 0.300 . 1 . . . . . . . . 6570 1 85 . 1 1 16 16 PRO HB2 H 1 2.268 0.032 . 2 . . . . . . . . 6570 1 86 . 1 1 16 16 PRO HB3 H 1 1.828 0.036 . 2 . . . . . . . . 6570 1 87 . 1 1 16 16 PRO CG C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 88 . 1 1 16 16 PRO HG2 H 1 1.920 0.032 . 2 . . . . . . . . 6570 1 89 . 1 1 16 16 PRO CD C 13 47.820 0.300 . 1 . . . . . . . . 6570 1 90 . 1 1 16 16 PRO HD2 H 1 3.710 0.038 . 2 . . . . . . . . 6570 1 91 . 1 1 16 16 PRO HD3 H 1 3.549 0.037 . 2 . . . . . . . . 6570 1 92 . 1 1 17 17 PRO CA C 13 60.225 0.300 . 1 . . . . . . . . 6570 1 93 . 1 1 17 17 PRO HA H 1 4.299 0.033 . 1 . . . . . . . . 6570 1 94 . 1 1 17 17 PRO C C 13 174.172 0.300 . 1 . . . . . . . . 6570 1 95 . 1 1 17 17 PRO CB C 13 29.213 0.300 . 1 . . . . . . . . 6570 1 96 . 1 1 17 17 PRO HB2 H 1 2.193 0.033 . 2 . . . . . . . . 6570 1 97 . 1 1 17 17 PRO HB3 H 1 1.829 0.039 . 2 . . . . . . . . 6570 1 98 . 1 1 17 17 PRO CG C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 99 . 1 1 17 17 PRO HG2 H 1 1.906 0.030 . 1 . . . . . . . . 6570 1 100 . 1 1 17 17 PRO CD C 13 47.551 0.300 . 1 . . . . . . . . 6570 1 101 . 1 1 17 17 PRO HD2 H 1 3.700 0.032 . 2 . . . . . . . . 6570 1 102 . 1 1 17 17 PRO HD3 H 1 3.541 0.035 . 2 . . . . . . . . 6570 1 103 . 1 1 18 18 GLU H H 1 8.470 0.030 . 1 . . . . . . . . 6570 1 104 . 1 1 18 18 GLU N N 15 120.796 0.100 . 1 . . . . . . . . 6570 1 105 . 1 1 18 18 GLU CA C 13 54.091 0.300 . 1 . . . . . . . . 6570 1 106 . 1 1 18 18 GLU HA H 1 4.102 0.036 . 1 . . . . . . . . 6570 1 107 . 1 1 18 18 GLU C C 13 173.722 0.300 . 1 . . . . . . . . 6570 1 108 . 1 1 18 18 GLU CB C 13 27.470 0.300 . 1 . . . . . . . . 6570 1 109 . 1 1 18 18 GLU HB2 H 1 1.853 0.035 . 1 . . . . . . . . 6570 1 110 . 1 1 18 18 GLU CG C 13 33.528 0.300 . 1 . . . . . . . . 6570 1 111 . 1 1 18 18 GLU HG2 H 1 2.140 0.030 . 1 . . . . . . . . 6570 1 112 . 1 1 19 19 ARG H H 1 8.231 0.030 . 1 . . . . . . . . 6570 1 113 . 1 1 19 19 ARG N N 15 121.990 0.100 . 1 . . . . . . . . 6570 1 114 . 1 1 19 19 ARG CA C 13 53.304 0.300 . 1 . . . . . . . . 6570 1 115 . 1 1 19 19 ARG HA H 1 4.244 0.030 . 1 . . . . . . . . 6570 1 116 . 1 1 19 19 ARG C C 13 173.355 0.300 . 1 . . . . . . . . 6570 1 117 . 1 1 19 19 ARG HB2 H 1 1.657 0.030 . 1 . . . . . . . . 6570 1 118 . 1 1 19 19 ARG HG2 H 1 1.503 0.030 . 1 . . . . . . . . 6570 1 119 . 1 1 19 19 ARG HD2 H 1 3.066 0.030 . 1 . . . . . . . . 6570 1 120 . 1 1 20 20 ILE H H 1 8.060 0.030 . 1 . . . . . . . . 6570 1 121 . 1 1 20 20 ILE N N 15 122.665 0.100 . 1 . . . . . . . . 6570 1 122 . 1 1 20 20 ILE CA C 13 58.341 0.300 . 1 . . . . . . . . 6570 1 123 . 1 1 20 20 ILE HA H 1 4.045 0.030 . 1 . . . . . . . . 6570 1 124 . 1 1 20 20 ILE C C 13 173.220 0.300 . 1 . . . . . . . . 6570 1 125 . 1 1 20 20 ILE CB C 13 35.986 0.300 . 1 . . . . . . . . 6570 1 126 . 1 1 20 20 ILE HB H 1 1.755 0.030 . 1 . . . . . . . . 6570 1 127 . 1 1 20 20 ILE CG2 C 13 14.382 0.300 . 1 . . . . . . . . 6570 1 128 . 1 1 20 20 ILE HG21 H 1 0.823 0.032 . 1 . . . . . . . . 6570 1 129 . 1 1 20 20 ILE HG22 H 1 0.823 0.032 . 1 . . . . . . . . 6570 1 130 . 1 1 20 20 ILE HG23 H 1 0.823 0.032 . 1 . . . . . . . . 6570 1 131 . 1 1 20 20 ILE CG1 C 13 24.359 0.300 . 1 . . . . . . . . 6570 1 132 . 1 1 20 20 ILE HG12 H 1 1.398 0.038 . 2 . . . . . . . . 6570 1 133 . 1 1 20 20 ILE HG13 H 1 1.087 0.030 . 2 . . . . . . . . 6570 1 134 . 1 1 20 20 ILE CD1 C 13 10.067 0.300 . 1 . . . . . . . . 6570 1 135 . 1 1 20 20 ILE HD11 H 1 0.800 0.030 . 1 . . . . . . . . 6570 1 136 . 1 1 20 20 ILE HD12 H 1 0.800 0.030 . 1 . . . . . . . . 6570 1 137 . 1 1 20 20 ILE HD13 H 1 0.800 0.030 . 1 . . . . . . . . 6570 1 138 . 1 1 21 21 ALA H H 1 8.351 0.030 . 1 . . . . . . . . 6570 1 139 . 1 1 21 21 ALA N N 15 128.549 0.100 . 1 . . . . . . . . 6570 1 140 . 1 1 21 21 ALA CA C 13 49.984 0.300 . 1 . . . . . . . . 6570 1 141 . 1 1 21 21 ALA HA H 1 4.262 0.030 . 1 . . . . . . . . 6570 1 142 . 1 1 21 21 ALA C C 13 174.945 0.300 . 1 . . . . . . . . 6570 1 143 . 1 1 21 21 ALA CB C 13 16.449 0.300 . 1 . . . . . . . . 6570 1 144 . 1 1 21 21 ALA HB1 H 1 1.306 0.030 . 1 . . . . . . . . 6570 1 145 . 1 1 21 21 ALA HB2 H 1 1.306 0.030 . 1 . . . . . . . . 6570 1 146 . 1 1 21 21 ALA HB3 H 1 1.306 0.030 . 1 . . . . . . . . 6570 1 147 . 1 1 22 22 SER H H 1 8.208 0.030 . 1 . . . . . . . . 6570 1 148 . 1 1 22 22 SER N N 15 115.528 0.100 . 1 . . . . . . . . 6570 1 149 . 1 1 22 22 SER CA C 13 55.910 0.300 . 1 . . . . . . . . 6570 1 150 . 1 1 22 22 SER HA H 1 4.295 0.032 . 1 . . . . . . . . 6570 1 151 . 1 1 22 22 SER C C 13 172.392 0.300 . 1 . . . . . . . . 6570 1 152 . 1 1 22 22 SER CB C 13 60.890 0.300 . 1 . . . . . . . . 6570 1 153 . 1 1 22 22 SER HB2 H 1 3.821 0.031 . 2 . . . . . . . . 6570 1 154 . 1 1 22 22 SER HB3 H 1 3.764 0.031 . 2 . . . . . . . . 6570 1 155 . 1 1 23 23 GLY H H 1 8.306 0.030 . 1 . . . . . . . . 6570 1 156 . 1 1 23 23 GLY N N 15 111.187 0.100 . 1 . . . . . . . . 6570 1 157 . 1 1 23 23 GLY CA C 13 42.471 0.300 . 1 . . . . . . . . 6570 1 158 . 1 1 23 23 GLY HA2 H 1 3.843 0.030 . 1 . . . . . . . . 6570 1 159 . 1 1 23 23 GLY C C 13 170.815 0.300 . 1 . . . . . . . . 6570 1 160 . 1 1 24 24 ALA H H 1 7.923 0.030 . 1 . . . . . . . . 6570 1 161 . 1 1 24 24 ALA N N 15 123.171 0.100 . 1 . . . . . . . . 6570 1 162 . 1 1 24 24 ALA CA C 13 49.731 0.300 . 1 . . . . . . . . 6570 1 163 . 1 1 24 24 ALA HA H 1 4.230 0.036 . 1 . . . . . . . . 6570 1 164 . 1 1 24 24 ALA C C 13 174.795 0.300 . 1 . . . . . . . . 6570 1 165 . 1 1 24 24 ALA CB C 13 16.592 0.300 . 1 . . . . . . . . 6570 1 166 . 1 1 24 24 ALA HB1 H 1 1.248 0.030 . 1 . . . . . . . . 6570 1 167 . 1 1 24 24 ALA HB2 H 1 1.248 0.030 . 1 . . . . . . . . 6570 1 168 . 1 1 24 24 ALA HB3 H 1 1.248 0.030 . 1 . . . . . . . . 6570 1 169 . 1 1 25 25 ILE H H 1 8.322 0.030 . 1 . . . . . . . . 6570 1 170 . 1 1 25 25 ILE N N 15 121.315 0.100 . 1 . . . . . . . . 6570 1 171 . 1 1 25 25 ILE CA C 13 57.598 0.300 . 1 . . . . . . . . 6570 1 172 . 1 1 25 25 ILE HA H 1 3.928 0.034 . 1 . . . . . . . . 6570 1 173 . 1 1 25 25 ILE C C 13 172.192 0.300 . 1 . . . . . . . . 6570 1 174 . 1 1 25 25 ILE CB C 13 33.696 0.300 . 1 . . . . . . . . 6570 1 175 . 1 1 25 25 ILE HB H 1 1.933 0.034 . 1 . . . . . . . . 6570 1 176 . 1 1 25 25 ILE CG2 C 13 15.461 0.300 . 1 . . . . . . . . 6570 1 177 . 1 1 25 25 ILE HG21 H 1 0.819 0.033 . 1 . . . . . . . . 6570 1 178 . 1 1 25 25 ILE HG22 H 1 0.819 0.033 . 1 . . . . . . . . 6570 1 179 . 1 1 25 25 ILE HG23 H 1 0.819 0.033 . 1 . . . . . . . . 6570 1 180 . 1 1 25 25 ILE CG1 C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 181 . 1 1 25 25 ILE HG12 H 1 1.488 0.039 . 1 . . . . . . . . 6570 1 182 . 1 1 25 25 ILE CD1 C 13 8.989 0.300 . 1 . . . . . . . . 6570 1 183 . 1 1 25 25 ILE HD11 H 1 0.799 0.039 . 1 . . . . . . . . 6570 1 184 . 1 1 25 25 ILE HD12 H 1 0.799 0.039 . 1 . . . . . . . . 6570 1 185 . 1 1 25 25 ILE HD13 H 1 0.799 0.039 . 1 . . . . . . . . 6570 1 186 . 1 1 26 26 THR H H 1 6.535 0.030 . 1 . . . . . . . . 6570 1 187 . 1 1 26 26 THR N N 15 114.949 0.100 . 1 . . . . . . . . 6570 1 188 . 1 1 26 26 THR CA C 13 56.667 0.300 . 1 . . . . . . . . 6570 1 189 . 1 1 26 26 THR HA H 1 4.591 0.032 . 1 . . . . . . . . 6570 1 190 . 1 1 26 26 THR C C 13 171.756 0.300 . 1 . . . . . . . . 6570 1 191 . 1 1 26 26 THR CB C 13 69.334 0.300 . 1 . . . . . . . . 6570 1 192 . 1 1 26 26 THR HB H 1 4.517 0.030 . 1 . . . . . . . . 6570 1 193 . 1 1 26 26 THR CG2 C 13 19.025 0.300 . 1 . . . . . . . . 6570 1 194 . 1 1 26 26 THR HG21 H 1 1.110 0.030 . 1 . . . . . . . . 6570 1 195 . 1 1 26 26 THR HG22 H 1 1.110 0.030 . 1 . . . . . . . . 6570 1 196 . 1 1 26 26 THR HG23 H 1 1.110 0.030 . 1 . . . . . . . . 6570 1 197 . 1 1 27 27 LYS H H 1 8.721 0.030 . 1 . . . . . . . . 6570 1 198 . 1 1 27 27 LYS N N 15 113.177 0.100 . 1 . . . . . . . . 6570 1 199 . 1 1 27 27 LYS CA C 13 56.989 0.300 . 1 . . . . . . . . 6570 1 200 . 1 1 27 27 LYS HA H 1 3.128 0.033 . 1 . . . . . . . . 6570 1 201 . 1 1 27 27 LYS C C 13 174.903 0.300 . 1 . . . . . . . . 6570 1 202 . 1 1 27 27 LYS CB C 13 29.213 0.300 . 1 . . . . . . . . 6570 1 203 . 1 1 27 27 LYS HB2 H 1 1.760 0.038 . 2 . . . . . . . . 6570 1 204 . 1 1 27 27 LYS HB3 H 1 1.547 0.030 . 2 . . . . . . . . 6570 1 205 . 1 1 27 27 LYS CG C 13 21.663 0.300 . 1 . . . . . . . . 6570 1 206 . 1 1 27 27 LYS HG2 H 1 1.160 0.031 . 1 . . . . . . . . 6570 1 207 . 1 1 27 27 LYS CD C 13 27.056 0.300 . 1 . . . . . . . . 6570 1 208 . 1 1 27 27 LYS HD2 H 1 1.581 0.033 . 1 . . . . . . . . 6570 1 209 . 1 1 27 27 LYS CE C 13 39.191 0.300 . 1 . . . . . . . . 6570 1 210 . 1 1 27 27 LYS HE2 H 1 2.923 0.035 . 2 . . . . . . . . 6570 1 211 . 1 1 27 27 LYS HE3 H 1 2.861 0.038 . 2 . . . . . . . . 6570 1 212 . 1 1 28 28 GLY H H 1 8.129 0.030 . 1 . . . . . . . . 6570 1 213 . 1 1 28 28 GLY N N 15 105.014 0.100 . 1 . . . . . . . . 6570 1 214 . 1 1 28 28 GLY CA C 13 44.045 0.300 . 1 . . . . . . . . 6570 1 215 . 1 1 28 28 GLY HA2 H 1 3.527 0.030 . 2 . . . . . . . . 6570 1 216 . 1 1 28 28 GLY HA3 H 1 3.644 0.030 . 2 . . . . . . . . 6570 1 217 . 1 1 28 28 GLY C C 13 172.873 0.300 . 1 . . . . . . . . 6570 1 218 . 1 1 29 29 VAL H H 1 7.147 0.030 . 1 . . . . . . . . 6570 1 219 . 1 1 29 29 VAL N N 15 121.990 0.100 . 1 . . . . . . . . 6570 1 220 . 1 1 29 29 VAL CA C 13 62.873 0.300 . 1 . . . . . . . . 6570 1 221 . 1 1 29 29 VAL HA H 1 3.519 0.030 . 1 . . . . . . . . 6570 1 222 . 1 1 29 29 VAL C C 13 176.504 0.300 . 1 . . . . . . . . 6570 1 223 . 1 1 29 29 VAL CB C 13 28.885 0.300 . 1 . . . . . . . . 6570 1 224 . 1 1 29 29 VAL HB H 1 1.829 0.031 . 1 . . . . . . . . 6570 1 225 . 1 1 29 29 VAL CG1 C 13 19.506 0.300 . 1 . . . . . . . . 6570 1 226 . 1 1 29 29 VAL HG11 H 1 0.871 0.036 . 2 . . . . . . . . 6570 1 227 . 1 1 29 29 VAL HG12 H 1 0.871 0.036 . 2 . . . . . . . . 6570 1 228 . 1 1 29 29 VAL HG13 H 1 0.871 0.036 . 2 . . . . . . . . 6570 1 229 . 1 1 29 29 VAL CG2 C 13 17.888 0.300 . 1 . . . . . . . . 6570 1 230 . 1 1 29 29 VAL HG21 H 1 0.130 0.035 . 2 . . . . . . . . 6570 1 231 . 1 1 29 29 VAL HG22 H 1 0.130 0.035 . 2 . . . . . . . . 6570 1 232 . 1 1 29 29 VAL HG23 H 1 0.130 0.035 . 2 . . . . . . . . 6570 1 233 . 1 1 30 30 VAL H H 1 7.189 0.030 . 1 . . . . . . . . 6570 1 234 . 1 1 30 30 VAL N N 15 120.640 0.100 . 1 . . . . . . . . 6570 1 235 . 1 1 30 30 VAL CA C 13 64.539 0.300 . 1 . . . . . . . . 6570 1 236 . 1 1 30 30 VAL HA H 1 3.176 0.038 . 1 . . . . . . . . 6570 1 237 . 1 1 30 30 VAL C C 13 175.886 0.300 . 1 . . . . . . . . 6570 1 238 . 1 1 30 30 VAL CB C 13 28.674 0.300 . 1 . . . . . . . . 6570 1 239 . 1 1 30 30 VAL HB H 1 1.809 0.038 . 1 . . . . . . . . 6570 1 240 . 1 1 30 30 VAL CG1 C 13 19.655 0.334 . 1 . . . . . . . . 6570 1 241 . 1 1 30 30 VAL HG11 H 1 0.704 0.034 . 2 . . . . . . . . 6570 1 242 . 1 1 30 30 VAL HG12 H 1 0.704 0.034 . 2 . . . . . . . . 6570 1 243 . 1 1 30 30 VAL HG13 H 1 0.704 0.034 . 2 . . . . . . . . 6570 1 244 . 1 1 30 30 VAL CG2 C 13 19.775 0.300 . 1 . . . . . . . . 6570 1 245 . 1 1 30 30 VAL HG21 H 1 0.448 0.037 . 2 . . . . . . . . 6570 1 246 . 1 1 30 30 VAL HG22 H 1 0.448 0.037 . 2 . . . . . . . . 6570 1 247 . 1 1 30 30 VAL HG23 H 1 0.448 0.037 . 2 . . . . . . . . 6570 1 248 . 1 1 31 31 LEU H H 1 8.414 0.030 . 1 . . . . . . . . 6570 1 249 . 1 1 31 31 LEU N N 15 120.254 0.100 . 1 . . . . . . . . 6570 1 250 . 1 1 31 31 LEU CA C 13 54.950 0.300 . 1 . . . . . . . . 6570 1 251 . 1 1 31 31 LEU HA H 1 4.128 0.036 . 1 . . . . . . . . 6570 1 252 . 1 1 31 31 LEU C C 13 178.093 0.300 . 1 . . . . . . . . 6570 1 253 . 1 1 31 31 LEU CB C 13 37.843 0.300 . 1 . . . . . . . . 6570 1 254 . 1 1 31 31 LEU HB2 H 1 1.686 0.033 . 2 . . . . . . . . 6570 1 255 . 1 1 31 31 LEU HB3 H 1 1.429 0.030 . 2 . . . . . . . . 6570 1 256 . 1 1 31 31 LEU CG C 13 24.090 0.300 . 1 . . . . . . . . 6570 1 257 . 1 1 31 31 LEU CD1 C 13 22.741 0.300 . 1 . . . . . . . . 6570 1 258 . 1 1 31 31 LEU HD11 H 1 0.697 0.034 . 2 . . . . . . . . 6570 1 259 . 1 1 31 31 LEU HD12 H 1 0.697 0.034 . 2 . . . . . . . . 6570 1 260 . 1 1 31 31 LEU HD13 H 1 0.697 0.034 . 2 . . . . . . . . 6570 1 261 . 1 1 31 31 LEU CD2 C 13 20.045 0.300 . 1 . . . . . . . . 6570 1 262 . 1 1 31 31 LEU HD21 H 1 0.749 0.032 . 2 . . . . . . . . 6570 1 263 . 1 1 31 31 LEU HD22 H 1 0.749 0.032 . 2 . . . . . . . . 6570 1 264 . 1 1 31 31 LEU HD23 H 1 0.749 0.032 . 2 . . . . . . . . 6570 1 265 . 1 1 31 31 LEU HG H 1 1.545 0.033 . 1 . . . . . . . . 6570 1 266 . 1 1 32 32 ASP H H 1 8.629 0.030 . 1 . . . . . . . . 6570 1 267 . 1 1 32 32 ASP N N 15 122.448 0.100 . 1 . . . . . . . . 6570 1 268 . 1 1 32 32 ASP CA C 13 54.880 0.300 . 1 . . . . . . . . 6570 1 269 . 1 1 32 32 ASP HA H 1 4.311 0.031 . 1 . . . . . . . . 6570 1 270 . 1 1 32 32 ASP C C 13 176.508 0.300 . 1 . . . . . . . . 6570 1 271 . 1 1 32 32 ASP CB C 13 37.202 0.300 . 1 . . . . . . . . 6570 1 272 . 1 1 32 32 ASP HB2 H 1 2.689 0.032 . 2 . . . . . . . . 6570 1 273 . 1 1 32 32 ASP HB3 H 1 2.485 0.033 . 2 . . . . . . . . 6570 1 274 . 1 1 33 33 SER H H 1 7.777 0.030 . 1 . . . . . . . . 6570 1 275 . 1 1 33 33 SER N N 15 116.571 0.100 . 1 . . . . . . . . 6570 1 276 . 1 1 33 33 SER CA C 13 59.101 0.300 . 1 . . . . . . . . 6570 1 277 . 1 1 33 33 SER HA H 1 4.352 0.031 . 1 . . . . . . . . 6570 1 278 . 1 1 33 33 SER C C 13 176.358 0.300 . 1 . . . . . . . . 6570 1 279 . 1 1 33 33 SER CB C 13 60.185 0.300 . 1 . . . . . . . . 6570 1 280 . 1 1 33 33 SER HB2 H 1 4.098 0.036 . 1 . . . . . . . . 6570 1 281 . 1 1 34 34 THR H H 1 8.657 0.030 . 1 . . . . . . . . 6570 1 282 . 1 1 34 34 THR N N 15 116.781 0.100 . 1 . . . . . . . . 6570 1 283 . 1 1 34 34 THR CA C 13 63.752 0.300 . 1 . . . . . . . . 6570 1 284 . 1 1 34 34 THR HA H 1 3.948 0.030 . 1 . . . . . . . . 6570 1 285 . 1 1 34 34 THR C C 13 173.850 0.300 . 1 . . . . . . . . 6570 1 286 . 1 1 34 34 THR CB C 13 65.200 0.300 . 1 . . . . . . . . 6570 1 287 . 1 1 34 34 THR HB H 1 4.127 0.031 . 1 . . . . . . . . 6570 1 288 . 1 1 34 34 THR CG2 C 13 20.814 0.300 . 1 . . . . . . . . 6570 1 289 . 1 1 34 34 THR HG21 H 1 1.240 0.031 . 1 . . . . . . . . 6570 1 290 . 1 1 34 34 THR HG22 H 1 1.240 0.031 . 1 . . . . . . . . 6570 1 291 . 1 1 34 34 THR HG23 H 1 1.240 0.031 . 1 . . . . . . . . 6570 1 292 . 1 1 35 35 GLU H H 1 7.718 0.030 . 1 . . . . . . . . 6570 1 293 . 1 1 35 35 GLU N N 15 124.305 0.100 . 1 . . . . . . . . 6570 1 294 . 1 1 35 35 GLU CA C 13 56.811 0.300 . 1 . . . . . . . . 6570 1 295 . 1 1 35 35 GLU HA H 1 3.984 0.037 . 1 . . . . . . . . 6570 1 296 . 1 1 35 35 GLU C C 13 176.358 0.300 . 1 . . . . . . . . 6570 1 297 . 1 1 35 35 GLU CB C 13 26.786 0.300 . 1 . . . . . . . . 6570 1 298 . 1 1 35 35 GLU HB2 H 1 2.027 0.034 . 2 . . . . . . . . 6570 1 299 . 1 1 35 35 GLU HB3 H 1 2.095 0.030 . 2 . . . . . . . . 6570 1 300 . 1 1 35 35 GLU CG C 13 33.258 0.300 . 1 . . . . . . . . 6570 1 301 . 1 1 35 35 GLU HG2 H 1 2.289 0.033 . 2 . . . . . . . . 6570 1 302 . 1 1 35 35 GLU HG3 H 1 2.172 0.032 . 2 . . . . . . . . 6570 1 303 . 1 1 36 36 ALA H H 1 8.079 0.030 . 1 . . . . . . . . 6570 1 304 . 1 1 36 36 ALA N N 15 121.797 0.100 . 1 . . . . . . . . 6570 1 305 . 1 1 36 36 ALA CA C 13 52.302 0.300 . 1 . . . . . . . . 6570 1 306 . 1 1 36 36 ALA HA H 1 3.972 0.031 . 1 . . . . . . . . 6570 1 307 . 1 1 36 36 ALA C C 13 178.371 0.300 . 1 . . . . . . . . 6570 1 308 . 1 1 36 36 ALA CB C 13 15.110 0.300 . 1 . . . . . . . . 6570 1 309 . 1 1 36 36 ALA HB1 H 1 1.483 0.030 . 1 . . . . . . . . 6570 1 310 . 1 1 36 36 ALA HB2 H 1 1.483 0.030 . 1 . . . . . . . . 6570 1 311 . 1 1 36 36 ALA HB3 H 1 1.483 0.030 . 1 . . . . . . . . 6570 1 312 . 1 1 37 37 LEU H H 1 7.701 0.030 . 1 . . . . . . . . 6570 1 313 . 1 1 37 37 LEU N N 15 120.543 0.100 . 1 . . . . . . . . 6570 1 314 . 1 1 37 37 LEU CA C 13 55.133 0.300 . 1 . . . . . . . . 6570 1 315 . 1 1 37 37 LEU HA H 1 4.069 0.031 . 1 . . . . . . . . 6570 1 316 . 1 1 37 37 LEU C C 13 174.789 0.300 . 1 . . . . . . . . 6570 1 317 . 1 1 37 37 LEU CB C 13 38.112 0.300 . 1 . . . . . . . . 6570 1 318 . 1 1 37 37 LEU HB2 H 1 2.037 0.039 . 2 . . . . . . . . 6570 1 319 . 1 1 37 37 LEU HB3 H 1 1.383 0.034 . 2 . . . . . . . . 6570 1 320 . 1 1 37 37 LEU CG C 13 24.899 0.300 . 1 . . . . . . . . 6570 1 321 . 1 1 37 37 LEU CD1 C 13 21.663 0.300 . 1 . . . . . . . . 6570 1 322 . 1 1 37 37 LEU HD11 H 1 0.859 0.031 . 2 . . . . . . . . 6570 1 323 . 1 1 37 37 LEU HD12 H 1 0.859 0.031 . 2 . . . . . . . . 6570 1 324 . 1 1 37 37 LEU HD13 H 1 0.859 0.031 . 2 . . . . . . . . 6570 1 325 . 1 1 37 37 LEU CD2 C 13 25.438 0.300 . 1 . . . . . . . . 6570 1 326 . 1 1 37 37 LEU HD21 H 1 0.797 0.033 . 2 . . . . . . . . 6570 1 327 . 1 1 37 37 LEU HD22 H 1 0.797 0.033 . 2 . . . . . . . . 6570 1 328 . 1 1 37 37 LEU HD23 H 1 0.797 0.033 . 2 . . . . . . . . 6570 1 329 . 1 1 37 37 LEU HG H 1 1.469 0.032 . 1 . . . . . . . . 6570 1 330 . 1 1 38 38 CYS H H 1 8.111 0.030 . 1 . . . . . . . . 6570 1 331 . 1 1 38 38 CYS N N 15 118.614 0.100 . 1 . . . . . . . . 6570 1 332 . 1 1 38 38 CYS CA C 13 61.843 0.300 . 1 . . . . . . . . 6570 1 333 . 1 1 38 38 CYS HA H 1 3.790 0.034 . 1 . . . . . . . . 6570 1 334 . 1 1 38 38 CYS C C 13 174.840 0.300 . 1 . . . . . . . . 6570 1 335 . 1 1 38 38 CYS CB C 13 23.250 0.300 . 1 . . . . . . . . 6570 1 336 . 1 1 38 38 CYS HB2 H 1 2.989 0.033 . 2 . . . . . . . . 6570 1 337 . 1 1 38 38 CYS HB3 H 1 2.828 0.031 . 2 . . . . . . . . 6570 1 338 . 1 1 39 39 LEU H H 1 8.324 0.030 . 1 . . . . . . . . 6570 1 339 . 1 1 39 39 LEU N N 15 121.315 0.100 . 1 . . . . . . . . 6570 1 340 . 1 1 39 39 LEU CA C 13 55.101 0.300 . 1 . . . . . . . . 6570 1 341 . 1 1 39 39 LEU HA H 1 4.077 0.033 . 1 . . . . . . . . 6570 1 342 . 1 1 39 39 LEU C C 13 175.723 0.300 . 1 . . . . . . . . 6570 1 343 . 1 1 39 39 LEU CB C 13 39.191 0.300 . 1 . . . . . . . . 6570 1 344 . 1 1 39 39 LEU HB2 H 1 1.585 0.032 . 1 . . . . . . . . 6570 1 345 . 1 1 39 39 LEU CG C 13 24.090 0.300 . 1 . . . . . . . . 6570 1 346 . 1 1 39 39 LEU CD1 C 13 21.393 0.300 . 1 . . . . . . . . 6570 1 347 . 1 1 39 39 LEU HD11 H 1 0.786 0.031 . 2 . . . . . . . . 6570 1 348 . 1 1 39 39 LEU HD12 H 1 0.786 0.031 . 2 . . . . . . . . 6570 1 349 . 1 1 39 39 LEU HD13 H 1 0.786 0.031 . 2 . . . . . . . . 6570 1 350 . 1 1 39 39 LEU HG H 1 1.467 0.033 . 1 . . . . . . . . 6570 1 351 . 1 1 40 40 ALA H H 1 7.775 0.030 . 1 . . . . . . . . 6570 1 352 . 1 1 40 40 ALA N N 15 121.966 0.100 . 1 . . . . . . . . 6570 1 353 . 1 1 40 40 ALA CA C 13 52.601 0.300 . 1 . . . . . . . . 6570 1 354 . 1 1 40 40 ALA HA H 1 3.888 0.033 . 1 . . . . . . . . 6570 1 355 . 1 1 40 40 ALA C C 13 177.230 0.300 . 1 . . . . . . . . 6570 1 356 . 1 1 40 40 ALA CB C 13 14.517 0.300 . 1 . . . . . . . . 6570 1 357 . 1 1 40 40 ALA HB1 H 1 1.250 0.032 . 1 . . . . . . . . 6570 1 358 . 1 1 40 40 ALA HB2 H 1 1.250 0.032 . 1 . . . . . . . . 6570 1 359 . 1 1 40 40 ALA HB3 H 1 1.250 0.032 . 1 . . . . . . . . 6570 1 360 . 1 1 41 41 ILE H H 1 8.002 0.030 . 1 . . . . . . . . 6570 1 361 . 1 1 41 41 ILE N N 15 117.746 0.100 . 1 . . . . . . . . 6570 1 362 . 1 1 41 41 ILE CA C 13 62.878 0.300 . 1 . . . . . . . . 6570 1 363 . 1 1 41 41 ILE HA H 1 3.148 0.035 . 1 . . . . . . . . 6570 1 364 . 1 1 41 41 ILE C C 13 175.474 0.300 . 1 . . . . . . . . 6570 1 365 . 1 1 41 41 ILE CB C 13 35.685 0.300 . 1 . . . . . . . . 6570 1 366 . 1 1 41 41 ILE HB H 1 1.751 0.037 . 1 . . . . . . . . 6570 1 367 . 1 1 41 41 ILE CG2 C 13 14.382 0.300 . 1 . . . . . . . . 6570 1 368 . 1 1 41 41 ILE HG21 H 1 0.772 0.034 . 1 . . . . . . . . 6570 1 369 . 1 1 41 41 ILE HG22 H 1 0.772 0.034 . 1 . . . . . . . . 6570 1 370 . 1 1 41 41 ILE HG23 H 1 0.772 0.034 . 1 . . . . . . . . 6570 1 371 . 1 1 41 41 ILE CG1 C 13 27.595 0.300 . 1 . . . . . . . . 6570 1 372 . 1 1 41 41 ILE HG12 H 1 1.590 0.034 . 2 . . . . . . . . 6570 1 373 . 1 1 41 41 ILE HG13 H 1 0.305 0.036 . 2 . . . . . . . . 6570 1 374 . 1 1 41 41 ILE CD1 C 13 11.416 0.300 . 1 . . . . . . . . 6570 1 375 . 1 1 41 41 ILE HD11 H 1 0.605 0.030 . 1 . . . . . . . . 6570 1 376 . 1 1 41 41 ILE HD12 H 1 0.605 0.030 . 1 . . . . . . . . 6570 1 377 . 1 1 41 41 ILE HD13 H 1 0.605 0.030 . 1 . . . . . . . . 6570 1 378 . 1 1 42 42 SER H H 1 8.065 0.030 . 1 . . . . . . . . 6570 1 379 . 1 1 42 42 SER N N 15 116.764 0.100 . 1 . . . . . . . . 6570 1 380 . 1 1 42 42 SER CA C 13 58.628 0.330 . 1 . . . . . . . . 6570 1 381 . 1 1 42 42 SER HA H 1 4.145 0.030 . 1 . . . . . . . . 6570 1 382 . 1 1 42 42 SER C C 13 174.284 0.300 . 1 . . . . . . . . 6570 1 383 . 1 1 42 42 SER CB C 13 60.225 0.300 . 1 . . . . . . . . 6570 1 384 . 1 1 42 42 SER HB2 H 1 3.938 0.030 . 2 . . . . . . . . 6570 1 385 . 1 1 42 42 SER HB3 H 1 3.896 0.030 . 2 . . . . . . . . 6570 1 386 . 1 1 43 43 ARG H H 1 8.363 0.030 . 1 . . . . . . . . 6570 1 387 . 1 1 43 43 ARG N N 15 120.736 0.100 . 1 . . . . . . . . 6570 1 388 . 1 1 43 43 ARG CA C 13 55.371 0.300 . 1 . . . . . . . . 6570 1 389 . 1 1 43 43 ARG HA H 1 4.160 0.036 . 1 . . . . . . . . 6570 1 390 . 1 1 43 43 ARG C C 13 178.261 0.300 . 1 . . . . . . . . 6570 1 391 . 1 1 43 43 ARG CB C 13 27.595 0.300 . 1 . . . . . . . . 6570 1 392 . 1 1 43 43 ARG HB2 H 1 1.739 0.036 . 1 . . . . . . . . 6570 1 393 . 1 1 43 43 ARG CG C 13 25.168 0.300 . 1 . . . . . . . . 6570 1 394 . 1 1 43 43 ARG HG2 H 1 1.583 0.038 . 1 . . . . . . . . 6570 1 395 . 1 1 43 43 ARG CD C 13 40.809 0.300 . 1 . . . . . . . . 6570 1 396 . 1 1 43 43 ARG HD2 H 1 3.018 0.037 . 1 . . . . . . . . 6570 1 397 . 1 1 43 43 ARG NE N 15 109.161 0.100 . 1 . . . . . . . . 6570 1 398 . 1 1 43 43 ARG HE H 1 7.112 0.030 . 1 . . . . . . . . 6570 1 399 . 1 1 44 44 ASN H H 1 7.776 0.030 . 1 . . . . . . . . 6570 1 400 . 1 1 44 44 ASN N N 15 120.447 0.100 . 1 . . . . . . . . 6570 1 401 . 1 1 44 44 ASN CA C 13 53.708 0.300 . 1 . . . . . . . . 6570 1 402 . 1 1 44 44 ASN HA H 1 4.658 0.030 . 1 . . . . . . . . 6570 1 403 . 1 1 44 44 ASN C C 13 174.146 0.300 . 1 . . . . . . . . 6570 1 404 . 1 1 44 44 ASN CB C 13 37.345 0.300 . 1 . . . . . . . . 6570 1 405 . 1 1 44 44 ASN HB2 H 1 2.750 0.032 . 2 . . . . . . . . 6570 1 406 . 1 1 44 44 ASN HB3 H 1 2.599 0.037 . 2 . . . . . . . . 6570 1 407 . 1 1 44 44 ASN ND2 N 15 112.441 0.100 . 1 . . . . . . . . 6570 1 408 . 1 1 44 44 ASN HD21 H 1 7.569 0.030 . 1 . . . . . . . . 6570 1 409 . 1 1 44 44 ASN HD22 H 1 7.224 0.030 . 1 . . . . . . . . 6570 1 410 . 1 1 45 45 SER H H 1 8.151 0.030 . 1 . . . . . . . . 6570 1 411 . 1 1 45 45 SER N N 15 107.816 0.100 . 1 . . . . . . . . 6570 1 412 . 1 1 45 45 SER CA C 13 57.715 0.300 . 1 . . . . . . . . 6570 1 413 . 1 1 45 45 SER HA H 1 4.401 0.037 . 1 . . . . . . . . 6570 1 414 . 1 1 45 45 SER C C 13 171.838 0.300 . 1 . . . . . . . . 6570 1 415 . 1 1 45 45 SER CB C 13 60.495 0.300 . 1 . . . . . . . . 6570 1 416 . 1 1 45 45 SER HB2 H 1 4.049 0.030 . 2 . . . . . . . . 6570 1 417 . 1 1 45 45 SER HB3 H 1 3.985 0.032 . 2 . . . . . . . . 6570 1 418 . 1 1 46 46 GLU H H 1 7.720 0.030 . 1 . . . . . . . . 6570 1 419 . 1 1 46 46 GLU N N 15 119.868 0.100 . 1 . . . . . . . . 6570 1 420 . 1 1 46 46 GLU CA C 13 53.423 0.300 . 1 . . . . . . . . 6570 1 421 . 1 1 46 46 GLU HA H 1 4.367 0.036 . 1 . . . . . . . . 6570 1 422 . 1 1 46 46 GLU C C 13 173.217 0.300 . 1 . . . . . . . . 6570 1 423 . 1 1 46 46 GLU CB C 13 27.326 0.300 . 1 . . . . . . . . 6570 1 424 . 1 1 46 46 GLU HB2 H 1 1.904 0.039 . 1 . . . . . . . . 6570 1 425 . 1 1 46 46 GLU CG C 13 33.528 0.300 . 1 . . . . . . . . 6570 1 426 . 1 1 46 46 GLU HG2 H 1 2.166 0.034 . 1 . . . . . . . . 6570 1 427 . 1 1 47 47 GLN H H 1 8.003 0.030 . 1 . . . . . . . . 6570 1 428 . 1 1 47 47 GLN N N 15 115.431 0.100 . 1 . . . . . . . . 6570 1 429 . 1 1 47 47 GLN CA C 13 54.020 0.300 . 1 . . . . . . . . 6570 1 430 . 1 1 47 47 GLN HA H 1 4.155 0.030 . 1 . . . . . . . . 6570 1 431 . 1 1 47 47 GLN C C 13 173.277 0.300 . 1 . . . . . . . . 6570 1 432 . 1 1 47 47 GLN CB C 13 24.500 0.300 . 1 . . . . . . . . 6570 1 433 . 1 1 47 47 GLN HB2 H 1 2.169 0.030 . 1 . . . . . . . . 6570 1 434 . 1 1 47 47 GLN CG C 13 31.549 0.300 . 1 . . . . . . . . 6570 1 435 . 1 1 47 47 GLN HG2 H 1 2.288 0.030 . 1 . . . . . . . . 6570 1 436 . 1 1 47 47 GLN NE2 N 15 112.634 0.100 . 1 . . . . . . . . 6570 1 437 . 1 1 47 47 GLN HE21 H 1 7.498 0.030 . 1 . . . . . . . . 6570 1 438 . 1 1 47 47 GLN HE22 H 1 6.741 0.030 . 1 . . . . . . . . 6570 1 439 . 1 1 48 48 MET H H 1 8.282 0.030 . 1 . . . . . . . . 6570 1 440 . 1 1 48 48 MET N N 15 117.360 0.100 . 1 . . . . . . . . 6570 1 441 . 1 1 48 48 MET CA C 13 52.674 0.300 . 1 . . . . . . . . 6570 1 442 . 1 1 48 48 MET HA H 1 4.481 0.033 . 1 . . . . . . . . 6570 1 443 . 1 1 48 48 MET C C 13 173.217 0.300 . 1 . . . . . . . . 6570 1 444 . 1 1 48 48 MET CB C 13 29.483 0.300 . 1 . . . . . . . . 6570 1 445 . 1 1 48 48 MET HB2 H 1 2.544 0.035 . 2 . . . . . . . . 6570 1 446 . 1 1 48 48 MET HB3 H 1 2.450 0.039 . 2 . . . . . . . . 6570 1 447 . 1 1 48 48 MET CG C 13 30.292 0.300 . 1 . . . . . . . . 6570 1 448 . 1 1 48 48 MET HG2 H 1 2.120 0.035 . 2 . . . . . . . . 6570 1 449 . 1 1 48 48 MET HG3 H 1 1.851 0.034 . 2 . . . . . . . . 6570 1 450 . 1 1 49 49 ALA H H 1 7.601 0.030 . 1 . . . . . . . . 6570 1 451 . 1 1 49 49 ALA N N 15 121.604 0.100 . 1 . . . . . . . . 6570 1 452 . 1 1 49 49 ALA CA C 13 49.646 0.300 . 1 . . . . . . . . 6570 1 453 . 1 1 49 49 ALA HA H 1 4.390 0.035 . 1 . . . . . . . . 6570 1 454 . 1 1 49 49 ALA C C 13 174.540 0.300 . 1 . . . . . . . . 6570 1 455 . 1 1 49 49 ALA CB C 13 17.888 0.300 . 1 . . . . . . . . 6570 1 456 . 1 1 49 49 ALA HB1 H 1 1.280 0.030 . 1 . . . . . . . . 6570 1 457 . 1 1 49 49 ALA HB2 H 1 1.280 0.030 . 1 . . . . . . . . 6570 1 458 . 1 1 49 49 ALA HB3 H 1 1.280 0.030 . 1 . . . . . . . . 6570 1 459 . 1 1 50 50 SER H H 1 8.456 0.030 . 1 . . . . . . . . 6570 1 460 . 1 1 50 50 SER N N 15 116.792 0.100 . 1 . . . . . . . . 6570 1 461 . 1 1 50 50 SER CA C 13 55.087 0.300 . 1 . . . . . . . . 6570 1 462 . 1 1 50 50 SER HA H 1 4.446 0.031 . 1 . . . . . . . . 6570 1 463 . 1 1 50 50 SER C C 13 172.147 0.300 . 1 . . . . . . . . 6570 1 464 . 1 1 50 50 SER CB C 13 61.965 0.300 . 1 . . . . . . . . 6570 1 465 . 1 1 50 50 SER HB2 H 1 4.129 0.033 . 2 . . . . . . . . 6570 1 466 . 1 1 50 50 SER HB3 H 1 3.881 0.035 . 2 . . . . . . . . 6570 1 467 . 1 1 51 51 HIS H H 1 8.685 0.030 . 1 . . . . . . . . 6570 1 468 . 1 1 51 51 HIS N N 15 122.314 0.100 . 1 . . . . . . . . 6570 1 469 . 1 1 51 51 HIS CA C 13 56.723 0.300 . 1 . . . . . . . . 6570 1 470 . 1 1 51 51 HIS HA H 1 4.340 0.036 . 1 . . . . . . . . 6570 1 471 . 1 1 51 51 HIS C C 13 174.765 0.300 . 1 . . . . . . . . 6570 1 472 . 1 1 51 51 HIS CB C 13 27.865 0.300 . 1 . . . . . . . . 6570 1 473 . 1 1 51 51 HIS HB2 H 1 3.315 0.031 . 2 . . . . . . . . 6570 1 474 . 1 1 51 51 HIS HB3 H 1 3.236 0.031 . 2 . . . . . . . . 6570 1 475 . 1 1 51 51 HIS CD2 C 13 115.474 0.300 . 1 . . . . . . . . 6570 1 476 . 1 1 51 51 HIS HD2 H 1 7.095 0.031 . 1 . . . . . . . . 6570 1 477 . 1 1 51 51 HIS CE1 C 13 134.586 0.300 . 1 . . . . . . . . 6570 1 478 . 1 1 51 51 HIS HE1 H 1 7.924 0.030 . 1 . . . . . . . . 6570 1 479 . 1 1 52 52 SER H H 1 8.322 0.030 . 1 . . . . . . . . 6570 1 480 . 1 1 52 52 SER N N 15 113.984 0.100 . 1 . . . . . . . . 6570 1 481 . 1 1 52 52 SER CA C 13 58.607 0.300 . 1 . . . . . . . . 6570 1 482 . 1 1 52 52 SER HA H 1 4.062 0.038 . 1 . . . . . . . . 6570 1 483 . 1 1 52 52 SER C C 13 173.371 0.300 . 1 . . . . . . . . 6570 1 484 . 1 1 52 52 SER CB C 13 58.607 0.300 . 1 . . . . . . . . 6570 1 485 . 1 1 52 52 SER HB2 H 1 3.873 0.031 . 1 . . . . . . . . 6570 1 486 . 1 1 53 53 ALA H H 1 7.946 0.030 . 1 . . . . . . . . 6570 1 487 . 1 1 53 53 ALA N N 15 125.077 0.100 . 1 . . . . . . . . 6570 1 488 . 1 1 53 53 ALA CA C 13 52.365 0.300 . 1 . . . . . . . . 6570 1 489 . 1 1 53 53 ALA HA H 1 4.093 0.030 . 1 . . . . . . . . 6570 1 490 . 1 1 53 53 ALA C C 13 178.652 0.300 . 1 . . . . . . . . 6570 1 491 . 1 1 53 53 ALA CB C 13 15.375 0.300 . 1 . . . . . . . . 6570 1 492 . 1 1 53 53 ALA HB1 H 1 1.446 0.034 . 1 . . . . . . . . 6570 1 493 . 1 1 53 53 ALA HB2 H 1 1.446 0.034 . 1 . . . . . . . . 6570 1 494 . 1 1 53 53 ALA HB3 H 1 1.446 0.034 . 1 . . . . . . . . 6570 1 495 . 1 1 54 54 VAL H H 1 7.513 0.030 . 1 . . . . . . . . 6570 1 496 . 1 1 54 54 VAL N N 15 119.682 0.100 . 1 . . . . . . . . 6570 1 497 . 1 1 54 54 VAL CA C 13 64.000 0.300 . 1 . . . . . . . . 6570 1 498 . 1 1 54 54 VAL HA H 1 3.140 0.033 . 1 . . . . . . . . 6570 1 499 . 1 1 54 54 VAL C C 13 174.453 0.300 . 1 . . . . . . . . 6570 1 500 . 1 1 54 54 VAL CB C 13 28.505 0.300 . 1 . . . . . . . . 6570 1 501 . 1 1 54 54 VAL HB H 1 1.831 0.036 . 1 . . . . . . . . 6570 1 502 . 1 1 54 54 VAL CG1 C 13 19.506 0.300 . 1 . . . . . . . . 6570 1 503 . 1 1 54 54 VAL HG11 H 1 0.457 0.031 . 2 . . . . . . . . 6570 1 504 . 1 1 54 54 VAL HG12 H 1 0.457 0.031 . 2 . . . . . . . . 6570 1 505 . 1 1 54 54 VAL HG13 H 1 0.457 0.031 . 2 . . . . . . . . 6570 1 506 . 1 1 54 54 VAL CG2 C 13 18.697 0.300 . 1 . . . . . . . . 6570 1 507 . 1 1 54 54 VAL HG21 H 1 0.092 0.035 . 2 . . . . . . . . 6570 1 508 . 1 1 54 54 VAL HG22 H 1 0.092 0.035 . 2 . . . . . . . . 6570 1 509 . 1 1 54 54 VAL HG23 H 1 0.092 0.035 . 2 . . . . . . . . 6570 1 510 . 1 1 55 55 LEU H H 1 7.663 0.030 . 1 . . . . . . . . 6570 1 511 . 1 1 55 55 LEU N N 15 119.193 0.100 . 1 . . . . . . . . 6570 1 512 . 1 1 55 55 LEU CA C 13 55.363 0.312 . 1 . . . . . . . . 6570 1 513 . 1 1 55 55 LEU HA H 1 3.709 0.030 . 1 . . . . . . . . 6570 1 514 . 1 1 55 55 LEU C C 13 176.662 0.300 . 1 . . . . . . . . 6570 1 515 . 1 1 55 55 LEU CB C 13 38.382 0.300 . 1 . . . . . . . . 6570 1 516 . 1 1 55 55 LEU HB2 H 1 1.643 0.030 . 2 . . . . . . . . 6570 1 517 . 1 1 55 55 LEU HB3 H 1 1.543 0.037 . 2 . . . . . . . . 6570 1 518 . 1 1 55 55 LEU CG C 13 24.144 0.371 . 1 . . . . . . . . 6570 1 519 . 1 1 55 55 LEU CD1 C 13 20.584 0.300 . 1 . . . . . . . . 6570 1 520 . 1 1 55 55 LEU HD11 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 521 . 1 1 55 55 LEU HD12 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 522 . 1 1 55 55 LEU HD13 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 523 . 1 1 55 55 LEU CD2 C 13 22.202 0.300 . 1 . . . . . . . . 6570 1 524 . 1 1 55 55 LEU HD21 H 1 0.825 0.031 . 2 . . . . . . . . 6570 1 525 . 1 1 55 55 LEU HD22 H 1 0.825 0.031 . 2 . . . . . . . . 6570 1 526 . 1 1 55 55 LEU HD23 H 1 0.825 0.031 . 2 . . . . . . . . 6570 1 527 . 1 1 55 55 LEU HG H 1 1.441 0.233 . 1 . . . . . . . . 6570 1 528 . 1 1 56 56 GLU H H 1 8.289 0.030 . 1 . . . . . . . . 6570 1 529 . 1 1 56 56 GLU N N 15 119.220 0.100 . 1 . . . . . . . . 6570 1 530 . 1 1 56 56 GLU CA C 13 56.719 0.300 . 1 . . . . . . . . 6570 1 531 . 1 1 56 56 GLU HA H 1 3.860 0.034 . 1 . . . . . . . . 6570 1 532 . 1 1 56 56 GLU C C 13 175.734 0.300 . 1 . . . . . . . . 6570 1 533 . 1 1 56 56 GLU CB C 13 26.769 0.300 . 1 . . . . . . . . 6570 1 534 . 1 1 56 56 GLU HB2 H 1 1.914 0.034 . 2 . . . . . . . . 6570 1 535 . 1 1 56 56 GLU HB3 H 1 1.838 0.030 . 2 . . . . . . . . 6570 1 536 . 1 1 56 56 GLU CG C 13 33.258 0.300 . 1 . . . . . . . . 6570 1 537 . 1 1 56 56 GLU HG2 H 1 2.190 0.031 . 1 . . . . . . . . 6570 1 538 . 1 1 57 57 ALA H H 1 7.694 0.000 . 1 . . . . . . . . 6570 1 539 . 1 1 57 57 ALA N N 15 121.026 0.100 . 1 . . . . . . . . 6570 1 540 . 1 1 57 57 ALA CA C 13 52.263 0.300 . 1 . . . . . . . . 6570 1 541 . 1 1 57 57 ALA HA H 1 4.145 0.030 . 1 . . . . . . . . 6570 1 542 . 1 1 57 57 ALA C C 13 179.272 0.300 . 1 . . . . . . . . 6570 1 543 . 1 1 57 57 ALA CB C 13 14.691 0.300 . 1 . . . . . . . . 6570 1 544 . 1 1 57 57 ALA HB1 H 1 1.385 0.032 . 1 . . . . . . . . 6570 1 545 . 1 1 57 57 ALA HB2 H 1 1.385 0.032 . 1 . . . . . . . . 6570 1 546 . 1 1 57 57 ALA HB3 H 1 1.385 0.032 . 1 . . . . . . . . 6570 1 547 . 1 1 58 58 GLY H H 1 8.907 0.030 . 1 . . . . . . . . 6570 1 548 . 1 1 58 58 GLY N N 15 110.212 0.100 . 1 . . . . . . . . 6570 1 549 . 1 1 58 58 GLY CA C 13 45.124 0.300 . 1 . . . . . . . . 6570 1 550 . 1 1 58 58 GLY HA2 H 1 3.513 0.034 . 2 . . . . . . . . 6570 1 551 . 1 1 58 58 GLY HA3 H 1 3.695 0.032 . 2 . . . . . . . . 6570 1 552 . 1 1 58 58 GLY C C 13 170.967 0.300 . 1 . . . . . . . . 6570 1 553 . 1 1 59 59 LYS H H 1 8.579 0.030 . 1 . . . . . . . . 6570 1 554 . 1 1 59 59 LYS N N 15 124.134 0.100 . 1 . . . . . . . . 6570 1 555 . 1 1 59 59 LYS CA C 13 56.920 0.300 . 1 . . . . . . . . 6570 1 556 . 1 1 59 59 LYS HA H 1 3.867 0.036 . 1 . . . . . . . . 6570 1 557 . 1 1 59 59 LYS C C 13 176.635 0.300 . 1 . . . . . . . . 6570 1 558 . 1 1 59 59 LYS CB C 13 28.944 0.300 . 1 . . . . . . . . 6570 1 559 . 1 1 59 59 LYS HB2 H 1 1.839 0.036 . 1 . . . . . . . . 6570 1 560 . 1 1 59 59 LYS CG C 13 22.741 0.300 . 1 . . . . . . . . 6570 1 561 . 1 1 59 59 LYS HG2 H 1 1.543 0.030 . 2 . . . . . . . . 6570 1 562 . 1 1 59 59 LYS HG3 H 1 1.341 0.030 . 2 . . . . . . . . 6570 1 563 . 1 1 59 59 LYS CD C 13 26.517 0.300 . 1 . . . . . . . . 6570 1 564 . 1 1 59 59 LYS HD2 H 1 1.547 0.030 . 1 . . . . . . . . 6570 1 565 . 1 1 59 59 LYS CE C 13 38.921 0.300 . 1 . . . . . . . . 6570 1 566 . 1 1 59 59 LYS HE2 H 1 2.772 0.035 . 1 . . . . . . . . 6570 1 567 . 1 1 60 60 ASN H H 1 8.064 0.030 . 1 . . . . . . . . 6570 1 568 . 1 1 60 60 ASN N N 15 119.289 0.100 . 1 . . . . . . . . 6570 1 569 . 1 1 60 60 ASN CA C 13 52.944 0.300 . 1 . . . . . . . . 6570 1 570 . 1 1 60 60 ASN HA H 1 4.137 0.030 . 1 . . . . . . . . 6570 1 571 . 1 1 60 60 ASN C C 13 173.710 0.300 . 1 . . . . . . . . 6570 1 572 . 1 1 60 60 ASN CB C 13 34.704 0.300 . 1 . . . . . . . . 6570 1 573 . 1 1 60 60 ASN HB2 H 1 2.728 0.033 . 2 . . . . . . . . 6570 1 574 . 1 1 60 60 ASN HB3 H 1 2.453 0.035 . 2 . . . . . . . . 6570 1 575 . 1 1 60 60 ASN ND2 N 15 111.485 0.100 . 1 . . . . . . . . 6570 1 576 . 1 1 60 60 ASN HD21 H 1 7.524 0.030 . 1 . . . . . . . . 6570 1 577 . 1 1 60 60 ASN HD22 H 1 6.832 0.030 . 1 . . . . . . . . 6570 1 578 . 1 1 61 61 LEU H H 1 7.602 0.030 . 1 . . . . . . . . 6570 1 579 . 1 1 61 61 LEU N N 15 119.558 0.100 . 1 . . . . . . . . 6570 1 580 . 1 1 61 61 LEU CA C 13 55.422 0.300 . 1 . . . . . . . . 6570 1 581 . 1 1 61 61 LEU HA H 1 4.364 0.035 . 1 . . . . . . . . 6570 1 582 . 1 1 61 61 LEU C C 13 175.968 0.300 . 1 . . . . . . . . 6570 1 583 . 1 1 61 61 LEU CB C 13 38.112 0.300 . 1 . . . . . . . . 6570 1 584 . 1 1 61 61 LEU HB2 H 1 2.046 0.038 . 2 . . . . . . . . 6570 1 585 . 1 1 61 61 LEU HB3 H 1 1.465 0.030 . 2 . . . . . . . . 6570 1 586 . 1 1 61 61 LEU CG C 13 24.899 0.300 . 1 . . . . . . . . 6570 1 587 . 1 1 61 61 LEU CD1 C 13 25.708 0.300 . 1 . . . . . . . . 6570 1 588 . 1 1 61 61 LEU HD11 H 1 0.828 0.034 . 2 . . . . . . . . 6570 1 589 . 1 1 61 61 LEU HD12 H 1 0.828 0.034 . 2 . . . . . . . . 6570 1 590 . 1 1 61 61 LEU HD13 H 1 0.828 0.034 . 2 . . . . . . . . 6570 1 591 . 1 1 61 61 LEU CD2 C 13 22.202 0.300 . 1 . . . . . . . . 6570 1 592 . 1 1 61 61 LEU HD21 H 1 0.939 0.035 . 2 . . . . . . . . 6570 1 593 . 1 1 61 61 LEU HD22 H 1 0.939 0.035 . 2 . . . . . . . . 6570 1 594 . 1 1 61 61 LEU HD23 H 1 0.939 0.035 . 2 . . . . . . . . 6570 1 595 . 1 1 61 61 LEU HG H 1 1.469 0.038 . 1 . . . . . . . . 6570 1 596 . 1 1 62 62 TYR H H 1 8.556 0.030 . 1 . . . . . . . . 6570 1 597 . 1 1 62 62 TYR N N 15 120.377 0.100 . 1 . . . . . . . . 6570 1 598 . 1 1 62 62 TYR CA C 13 60.495 0.300 . 1 . . . . . . . . 6570 1 599 . 1 1 62 62 TYR HA H 1 3.679 0.034 . 1 . . . . . . . . 6570 1 600 . 1 1 62 62 TYR C C 13 173.088 0.300 . 1 . . . . . . . . 6570 1 601 . 1 1 62 62 TYR CB C 13 35.406 0.338 . 1 . . . . . . . . 6570 1 602 . 1 1 62 62 TYR HB2 H 1 3.084 0.034 . 2 . . . . . . . . 6570 1 603 . 1 1 62 62 TYR HB3 H 1 2.795 0.034 . 2 . . . . . . . . 6570 1 604 . 1 1 62 62 TYR CD1 C 13 128.822 0.300 . 3 . . . . . . . . 6570 1 605 . 1 1 62 62 TYR HD1 H 1 6.831 0.033 . 3 . . . . . . . . 6570 1 606 . 1 1 62 62 TYR CE1 C 13 115.777 0.300 . 3 . . . . . . . . 6570 1 607 . 1 1 62 62 TYR HE1 H 1 6.669 0.032 . 3 . . . . . . . . 6570 1 608 . 1 1 63 63 SER H H 1 8.112 0.030 . 1 . . . . . . . . 6570 1 609 . 1 1 63 63 SER N N 15 113.309 0.100 . 1 . . . . . . . . 6570 1 610 . 1 1 63 63 SER CA C 13 58.877 0.300 . 1 . . . . . . . . 6570 1 611 . 1 1 63 63 SER HA H 1 3.881 0.039 . 1 . . . . . . . . 6570 1 612 . 1 1 63 63 SER C C 13 175.084 0.300 . 1 . . . . . . . . 6570 1 613 . 1 1 63 63 SER CB C 13 59.692 0.300 . 1 . . . . . . . . 6570 1 614 . 1 1 63 63 SER HB2 H 1 3.807 0.031 . 1 . . . . . . . . 6570 1 615 . 1 1 64 64 PHE H H 1 8.026 0.030 . 1 . . . . . . . . 6570 1 616 . 1 1 64 64 PHE N N 15 120.158 0.100 . 1 . . . . . . . . 6570 1 617 . 1 1 64 64 PHE CA C 13 56.315 0.300 . 1 . . . . . . . . 6570 1 618 . 1 1 64 64 PHE HA H 1 4.605 0.032 . 1 . . . . . . . . 6570 1 619 . 1 1 64 64 PHE C C 13 175.871 0.300 . 1 . . . . . . . . 6570 1 620 . 1 1 64 64 PHE CB C 13 35.251 0.300 . 1 . . . . . . . . 6570 1 621 . 1 1 64 64 PHE HB2 H 1 3.205 0.030 . 2 . . . . . . . . 6570 1 622 . 1 1 64 64 PHE HB3 H 1 2.982 0.030 . 2 . . . . . . . . 6570 1 623 . 1 1 64 64 PHE CD1 C 13 127.608 0.300 . 3 . . . . . . . . 6570 1 624 . 1 1 64 64 PHE HD1 H 1 7.160 0.030 . 3 . . . . . . . . 6570 1 625 . 1 1 64 64 PHE HE1 H 1 7.185 0.031 . 3 . . . . . . . . 6570 1 626 . 1 1 64 64 PHE CZ C 13 125.788 0.300 . 1 . . . . . . . . 6570 1 627 . 1 1 64 64 PHE HZ H 1 6.997 0.030 . 1 . . . . . . . . 6570 1 628 . 1 1 65 65 CYS H H 1 8.618 0.030 . 1 . . . . . . . . 6570 1 629 . 1 1 65 65 CYS N N 15 117.746 0.100 . 1 . . . . . . . . 6570 1 630 . 1 1 65 65 CYS CA C 13 63.322 0.300 . 1 . . . . . . . . 6570 1 631 . 1 1 65 65 CYS HA H 1 4.106 0.034 . 1 . . . . . . . . 6570 1 632 . 1 1 65 65 CYS C C 13 174.074 0.300 . 1 . . . . . . . . 6570 1 633 . 1 1 65 65 CYS CB C 13 24.090 0.300 . 1 . . . . . . . . 6570 1 634 . 1 1 65 65 CYS HB2 H 1 3.028 0.035 . 2 . . . . . . . . 6570 1 635 . 1 1 65 65 CYS HB3 H 1 2.378 0.030 . 2 . . . . . . . . 6570 1 636 . 1 1 66 66 VAL H H 1 8.117 0.030 . 1 . . . . . . . . 6570 1 637 . 1 1 66 66 VAL N N 15 118.518 0.100 . 1 . . . . . . . . 6570 1 638 . 1 1 66 66 VAL CA C 13 63.730 0.300 . 1 . . . . . . . . 6570 1 639 . 1 1 66 66 VAL HA H 1 3.419 0.031 . 1 . . . . . . . . 6570 1 640 . 1 1 66 66 VAL C C 13 175.594 0.300 . 1 . . . . . . . . 6570 1 641 . 1 1 66 66 VAL CB C 13 28.686 0.300 . 1 . . . . . . . . 6570 1 642 . 1 1 66 66 VAL HB H 1 1.832 0.032 . 1 . . . . . . . . 6570 1 643 . 1 1 66 66 VAL CG1 C 13 19.775 0.300 . 1 . . . . . . . . 6570 1 644 . 1 1 66 66 VAL HG11 H 1 0.479 0.032 . 2 . . . . . . . . 6570 1 645 . 1 1 66 66 VAL HG12 H 1 0.479 0.032 . 2 . . . . . . . . 6570 1 646 . 1 1 66 66 VAL HG13 H 1 0.479 0.032 . 2 . . . . . . . . 6570 1 647 . 1 1 66 66 VAL CG2 C 13 18.697 0.300 . 1 . . . . . . . . 6570 1 648 . 1 1 66 66 VAL HG21 H 1 0.698 0.003 . 2 . . . . . . . . 6570 1 649 . 1 1 66 66 VAL HG22 H 1 0.698 0.003 . 2 . . . . . . . . 6570 1 650 . 1 1 66 66 VAL HG23 H 1 0.698 0.003 . 2 . . . . . . . . 6570 1 651 . 1 1 67 67 SER H H 1 7.318 0.000 . 1 . . . . . . . . 6570 1 652 . 1 1 67 67 SER N N 15 114.177 0.100 . 1 . . . . . . . . 6570 1 653 . 1 1 67 67 SER CA C 13 58.510 0.300 . 1 . . . . . . . . 6570 1 654 . 1 1 67 67 SER HA H 1 4.347 0.031 . 1 . . . . . . . . 6570 1 655 . 1 1 67 67 SER C C 13 172.633 0.300 . 1 . . . . . . . . 6570 1 656 . 1 1 67 67 SER CB C 13 61.034 0.300 . 1 . . . . . . . . 6570 1 657 . 1 1 67 67 SER HB2 H 1 3.984 0.034 . 1 . . . . . . . . 6570 1 658 . 1 1 68 68 TYR H H 1 8.286 0.030 . 1 . . . . . . . . 6570 1 659 . 1 1 68 68 TYR N N 15 122.280 0.100 . 1 . . . . . . . . 6570 1 660 . 1 1 68 68 TYR CA C 13 57.497 0.300 . 1 . . . . . . . . 6570 1 661 . 1 1 68 68 TYR HA H 1 4.212 0.033 . 1 . . . . . . . . 6570 1 662 . 1 1 68 68 TYR C C 13 174.305 0.300 . 1 . . . . . . . . 6570 1 663 . 1 1 68 68 TYR CB C 13 37.574 0.300 . 1 . . . . . . . . 6570 1 664 . 1 1 68 68 TYR HB2 H 1 2.966 0.037 . 2 . . . . . . . . 6570 1 665 . 1 1 68 68 TYR HB3 H 1 2.828 0.036 . 2 . . . . . . . . 6570 1 666 . 1 1 68 68 TYR CD1 C 13 129.125 0.300 . 3 . . . . . . . . 6570 1 667 . 1 1 68 68 TYR HD1 H 1 6.564 0.032 . 3 . . . . . . . . 6570 1 668 . 1 1 68 68 TYR CE1 C 13 113.957 0.300 . 3 . . . . . . . . 6570 1 669 . 1 1 68 68 TYR HE1 H 1 6.344 0.036 . 3 . . . . . . . . 6570 1 670 . 1 1 69 69 VAL H H 1 7.814 0.030 . 1 . . . . . . . . 6570 1 671 . 1 1 69 69 VAL N N 15 117.843 0.100 . 1 . . . . . . . . 6570 1 672 . 1 1 69 69 VAL CA C 13 62.800 0.300 . 1 . . . . . . . . 6570 1 673 . 1 1 69 69 VAL HA H 1 3.499 0.034 . 1 . . . . . . . . 6570 1 674 . 1 1 69 69 VAL C C 13 172.817 0.300 . 1 . . . . . . . . 6570 1 675 . 1 1 69 69 VAL CB C 13 28.944 0.300 . 1 . . . . . . . . 6570 1 676 . 1 1 69 69 VAL HB H 1 2.118 0.030 . 1 . . . . . . . . 6570 1 677 . 1 1 69 69 VAL CG1 C 13 20.854 0.300 . 1 . . . . . . . . 6570 1 678 . 1 1 69 69 VAL HG11 H 1 1.085 0.031 . 2 . . . . . . . . 6570 1 679 . 1 1 69 69 VAL HG12 H 1 1.085 0.031 . 2 . . . . . . . . 6570 1 680 . 1 1 69 69 VAL HG13 H 1 1.085 0.031 . 2 . . . . . . . . 6570 1 681 . 1 1 69 69 VAL CG2 C 13 17.348 0.300 . 1 . . . . . . . . 6570 1 682 . 1 1 69 69 VAL HG21 H 1 0.955 0.034 . 2 . . . . . . . . 6570 1 683 . 1 1 69 69 VAL HG22 H 1 0.955 0.034 . 2 . . . . . . . . 6570 1 684 . 1 1 69 69 VAL HG23 H 1 0.955 0.034 . 2 . . . . . . . . 6570 1 685 . 1 1 70 70 ASP H H 1 7.302 0.030 . 1 . . . . . . . . 6570 1 686 . 1 1 70 70 ASP N N 15 116.781 0.100 . 1 . . . . . . . . 6570 1 687 . 1 1 70 70 ASP CA C 13 53.783 0.300 . 1 . . . . . . . . 6570 1 688 . 1 1 70 70 ASP HA H 1 4.329 0.033 . 1 . . . . . . . . 6570 1 689 . 1 1 70 70 ASP C C 13 174.203 0.300 . 1 . . . . . . . . 6570 1 690 . 1 1 70 70 ASP CB C 13 37.846 0.300 . 1 . . . . . . . . 6570 1 691 . 1 1 70 70 ASP HB2 H 1 2.633 0.030 . 2 . . . . . . . . 6570 1 692 . 1 1 70 70 ASP HB3 H 1 2.474 0.030 . 2 . . . . . . . . 6570 1 693 . 1 1 71 71 SER H H 1 7.959 0.030 . 1 . . . . . . . . 6570 1 694 . 1 1 71 71 SER N N 15 114.981 0.100 . 1 . . . . . . . . 6570 1 695 . 1 1 71 71 SER CA C 13 56.450 0.300 . 1 . . . . . . . . 6570 1 696 . 1 1 71 71 SER HA H 1 4.176 0.030 . 1 . . . . . . . . 6570 1 697 . 1 1 71 71 SER C C 13 171.299 0.300 . 1 . . . . . . . . 6570 1 698 . 1 1 71 71 SER CB C 13 60.958 0.300 . 1 . . . . . . . . 6570 1 699 . 1 1 71 71 SER HB2 H 1 3.611 0.030 . 2 . . . . . . . . 6570 1 700 . 1 1 71 71 SER HB3 H 1 3.471 0.032 . 2 . . . . . . . . 6570 1 701 . 1 1 72 72 ILE H H 1 7.039 0.030 . 1 . . . . . . . . 6570 1 702 . 1 1 72 72 ILE N N 15 123.653 0.100 . 1 . . . . . . . . 6570 1 703 . 1 1 72 72 ILE CA C 13 59.387 0.300 . 1 . . . . . . . . 6570 1 704 . 1 1 72 72 ILE HA H 1 3.700 0.033 . 1 . . . . . . . . 6570 1 705 . 1 1 72 72 ILE C C 13 173.536 0.300 . 1 . . . . . . . . 6570 1 706 . 1 1 72 72 ILE CB C 13 35.126 0.300 . 1 . . . . . . . . 6570 1 707 . 1 1 72 72 ILE HB H 1 1.640 0.032 . 1 . . . . . . . . 6570 1 708 . 1 1 72 72 ILE CG2 C 13 15.191 0.300 . 1 . . . . . . . . 6570 1 709 . 1 1 72 72 ILE HG21 H 1 0.768 0.037 . 1 . . . . . . . . 6570 1 710 . 1 1 72 72 ILE HG22 H 1 0.768 0.037 . 1 . . . . . . . . 6570 1 711 . 1 1 72 72 ILE HG23 H 1 0.768 0.037 . 1 . . . . . . . . 6570 1 712 . 1 1 72 72 ILE CG1 C 13 24.359 0.300 . 1 . . . . . . . . 6570 1 713 . 1 1 72 72 ILE HG12 H 1 1.106 0.030 . 2 . . . . . . . . 6570 1 714 . 1 1 72 72 ILE HG13 H 1 0.598 0.039 . 2 . . . . . . . . 6570 1 715 . 1 1 72 72 ILE CD1 C 13 11.416 0.300 . 1 . . . . . . . . 6570 1 716 . 1 1 72 72 ILE HD11 H 1 0.325 0.039 . 1 . . . . . . . . 6570 1 717 . 1 1 72 72 ILE HD12 H 1 0.325 0.039 . 1 . . . . . . . . 6570 1 718 . 1 1 72 72 ILE HD13 H 1 0.325 0.039 . 1 . . . . . . . . 6570 1 719 . 1 1 73 73 GLN H H 1 8.798 0.030 . 1 . . . . . . . . 6570 1 720 . 1 1 73 73 GLN N N 15 125.820 0.100 . 1 . . . . . . . . 6570 1 721 . 1 1 73 73 GLN CA C 13 54.964 0.300 . 1 . . . . . . . . 6570 1 722 . 1 1 73 73 GLN HA H 1 4.036 0.032 . 1 . . . . . . . . 6570 1 723 . 1 1 73 73 GLN C C 13 173.927 0.300 . 1 . . . . . . . . 6570 1 724 . 1 1 73 73 GLN CB C 13 27.326 0.300 . 1 . . . . . . . . 6570 1 725 . 1 1 73 73 GLN HB2 H 1 2.105 0.031 . 2 . . . . . . . . 6570 1 726 . 1 1 73 73 GLN HB3 H 1 1.876 0.031 . 2 . . . . . . . . 6570 1 727 . 1 1 73 73 GLN CG C 13 31.101 0.300 . 1 . . . . . . . . 6570 1 728 . 1 1 73 73 GLN HG2 H 1 2.289 0.035 . 1 . . . . . . . . 6570 1 729 . 1 1 73 73 GLN NE2 N 15 112.537 0.100 . 1 . . . . . . . . 6570 1 730 . 1 1 73 73 GLN HE21 H 1 7.596 0.030 . 1 . . . . . . . . 6570 1 731 . 1 1 73 73 GLN HE22 H 1 6.836 0.030 . 1 . . . . . . . . 6570 1 732 . 1 1 74 74 GLN H H 1 7.746 0.030 . 1 . . . . . . . . 6570 1 733 . 1 1 74 74 GLN N N 15 118.498 0.100 . 1 . . . . . . . . 6570 1 734 . 1 1 74 74 GLN CA C 13 53.192 0.300 . 1 . . . . . . . . 6570 1 735 . 1 1 74 74 GLN HA H 1 4.393 0.032 . 1 . . . . . . . . 6570 1 736 . 1 1 74 74 GLN C C 13 174.353 0.300 . 1 . . . . . . . . 6570 1 737 . 1 1 74 74 GLN CB C 13 25.977 0.300 . 1 . . . . . . . . 6570 1 738 . 1 1 74 74 GLN HB2 H 1 2.083 0.032 . 2 . . . . . . . . 6570 1 739 . 1 1 74 74 GLN HB3 H 1 1.993 0.035 . 2 . . . . . . . . 6570 1 740 . 1 1 74 74 GLN CG C 13 31.101 0.300 . 1 . . . . . . . . 6570 1 741 . 1 1 74 74 GLN HG2 H 1 2.407 0.039 . 1 . . . . . . . . 6570 1 742 . 1 1 74 74 GLN NE2 N 15 113.460 0.100 . 1 . . . . . . . . 6570 1 743 . 1 1 74 74 GLN HE21 H 1 7.781 0.030 . 1 . . . . . . . . 6570 1 744 . 1 1 74 74 GLN HE22 H 1 7.173 0.030 . 1 . . . . . . . . 6570 1 745 . 1 1 75 75 MET H H 1 8.838 0.030 . 1 . . . . . . . . 6570 1 746 . 1 1 75 75 MET N N 15 127.006 0.100 . 1 . . . . . . . . 6570 1 747 . 1 1 75 75 MET CA C 13 55.371 0.300 . 1 . . . . . . . . 6570 1 748 . 1 1 75 75 MET HA H 1 4.022 0.031 . 1 . . . . . . . . 6570 1 749 . 1 1 75 75 MET C C 13 175.339 0.300 . 1 . . . . . . . . 6570 1 750 . 1 1 75 75 MET CB C 13 29.483 0.300 . 1 . . . . . . . . 6570 1 751 . 1 1 75 75 MET HB2 H 1 2.561 0.030 . 2 . . . . . . . . 6570 1 752 . 1 1 75 75 MET HB3 H 1 2.474 0.035 . 2 . . . . . . . . 6570 1 753 . 1 1 75 75 MET CG C 13 29.483 0.300 . 1 . . . . . . . . 6570 1 754 . 1 1 75 75 MET HG2 H 1 2.067 0.031 . 2 . . . . . . . . 6570 1 755 . 1 1 75 75 MET HG3 H 1 1.948 0.038 . 2 . . . . . . . . 6570 1 756 . 1 1 76 76 ARG H H 1 8.879 0.030 . 1 . . . . . . . . 6570 1 757 . 1 1 76 76 ARG N N 15 118.807 0.100 . 1 . . . . . . . . 6570 1 758 . 1 1 76 76 ARG CA C 13 56.719 0.300 . 1 . . . . . . . . 6570 1 759 . 1 1 76 76 ARG HA H 1 4.106 0.032 . 1 . . . . . . . . 6570 1 760 . 1 1 76 76 ARG C C 13 176.503 0.300 . 1 . . . . . . . . 6570 1 761 . 1 1 76 76 ARG CG C 13 23.820 0.300 . 1 . . . . . . . . 6570 1 762 . 1 1 76 76 ARG HG2 H 1 1.545 0.036 . 1 . . . . . . . . 6570 1 763 . 1 1 76 76 ARG HD2 H 1 3.116 0.030 . 1 . . . . . . . . 6570 1 764 . 1 1 77 77 ASN H H 1 7.396 0.030 . 1 . . . . . . . . 6570 1 765 . 1 1 77 77 ASN N N 15 117.360 0.100 . 1 . . . . . . . . 6570 1 766 . 1 1 77 77 ASN CA C 13 52.135 0.300 . 1 . . . . . . . . 6570 1 767 . 1 1 77 77 ASN HA H 1 4.679 0.033 . 1 . . . . . . . . 6570 1 768 . 1 1 77 77 ASN C C 13 173.673 0.300 . 1 . . . . . . . . 6570 1 769 . 1 1 77 77 ASN CB C 13 35.416 0.300 . 1 . . . . . . . . 6570 1 770 . 1 1 77 77 ASN HB2 H 1 2.707 0.032 . 2 . . . . . . . . 6570 1 771 . 1 1 77 77 ASN HB3 H 1 2.569 0.032 . 2 . . . . . . . . 6570 1 772 . 1 1 77 77 ASN ND2 N 15 113.984 0.100 . 1 . . . . . . . . 6570 1 773 . 1 1 77 77 ASN HD21 H 1 7.779 0.030 . 1 . . . . . . . . 6570 1 774 . 1 1 77 77 ASN HD22 H 1 7.176 0.030 . 1 . . . . . . . . 6570 1 775 . 1 1 78 78 LYS H H 1 8.279 0.030 . 1 . . . . . . . . 6570 1 776 . 1 1 78 78 LYS N N 15 123.823 0.100 . 1 . . . . . . . . 6570 1 777 . 1 1 78 78 LYS CA C 13 58.068 0.300 . 1 . . . . . . . . 6570 1 778 . 1 1 78 78 LYS HA H 1 3.799 0.031 . 1 . . . . . . . . 6570 1 779 . 1 1 78 78 LYS C C 13 175.563 0.300 . 1 . . . . . . . . 6570 1 780 . 1 1 78 78 LYS CB C 13 30.022 0.300 . 1 . . . . . . . . 6570 1 781 . 1 1 78 78 LYS HB2 H 1 1.741 0.030 . 1 . . . . . . . . 6570 1 782 . 1 1 78 78 LYS CG C 13 22.472 0.300 . 1 . . . . . . . . 6570 1 783 . 1 1 78 78 LYS HG2 H 1 1.404 0.036 . 2 . . . . . . . . 6570 1 784 . 1 1 78 78 LYS HG3 H 1 1.273 0.034 . 2 . . . . . . . . 6570 1 785 . 1 1 78 78 LYS CD C 13 27.056 0.300 . 1 . . . . . . . . 6570 1 786 . 1 1 78 78 LYS HD2 H 1 1.645 0.037 . 1 . . . . . . . . 6570 1 787 . 1 1 78 78 LYS CE C 13 39.191 0.300 . 1 . . . . . . . . 6570 1 788 . 1 1 78 78 LYS HE2 H 1 2.868 0.034 . 1 . . . . . . . . 6570 1 789 . 1 1 79 79 PHE H H 1 8.356 0.030 . 1 . . . . . . . . 6570 1 790 . 1 1 79 79 PHE N N 15 118.460 0.100 . 1 . . . . . . . . 6570 1 791 . 1 1 79 79 PHE CA C 13 56.512 0.300 . 1 . . . . . . . . 6570 1 792 . 1 1 79 79 PHE HA H 1 4.104 0.030 . 1 . . . . . . . . 6570 1 793 . 1 1 79 79 PHE C C 13 175.557 0.300 . 1 . . . . . . . . 6570 1 794 . 1 1 79 79 PHE CB C 13 35.595 0.300 . 1 . . . . . . . . 6570 1 795 . 1 1 79 79 PHE HB2 H 1 3.162 0.030 . 1 . . . . . . . . 6570 1 796 . 1 1 79 79 PHE CD1 C 13 127.912 0.300 . 3 . . . . . . . . 6570 1 797 . 1 1 79 79 PHE HD1 H 1 7.197 0.030 . 3 . . . . . . . . 6570 1 798 . 1 1 79 79 PHE HE1 H 1 7.214 0.030 . 3 . . . . . . . . 6570 1 799 . 1 1 80 80 ALA H H 1 7.772 0.030 . 1 . . . . . . . . 6570 1 800 . 1 1 80 80 ALA N N 15 121.508 0.100 . 1 . . . . . . . . 6570 1 801 . 1 1 80 80 ALA CA C 13 52.347 0.300 . 1 . . . . . . . . 6570 1 802 . 1 1 80 80 ALA HA H 1 4.139 0.030 . 1 . . . . . . . . 6570 1 803 . 1 1 80 80 ALA C C 13 178.107 0.300 . 1 . . . . . . . . 6570 1 804 . 1 1 80 80 ALA CB C 13 15.215 0.300 . 1 . . . . . . . . 6570 1 805 . 1 1 80 80 ALA HB1 H 1 1.555 0.036 . 1 . . . . . . . . 6570 1 806 . 1 1 80 80 ALA HB2 H 1 1.555 0.036 . 1 . . . . . . . . 6570 1 807 . 1 1 80 80 ALA HB3 H 1 1.555 0.036 . 1 . . . . . . . . 6570 1 808 . 1 1 81 81 PHE H H 1 8.626 0.030 . 1 . . . . . . . . 6570 1 809 . 1 1 81 81 PHE N N 15 120.833 0.100 . 1 . . . . . . . . 6570 1 810 . 1 1 81 81 PHE CA C 13 58.257 0.300 . 1 . . . . . . . . 6570 1 811 . 1 1 81 81 PHE HA H 1 4.270 0.030 . 1 . . . . . . . . 6570 1 812 . 1 1 81 81 PHE C C 13 174.364 0.300 . 1 . . . . . . . . 6570 1 813 . 1 1 81 81 PHE CB C 13 36.815 0.300 . 1 . . . . . . . . 6570 1 814 . 1 1 81 81 PHE HB2 H 1 3.257 0.034 . 2 . . . . . . . . 6570 1 815 . 1 1 81 81 PHE HB3 H 1 3.149 0.030 . 2 . . . . . . . . 6570 1 816 . 1 1 81 81 PHE CD1 C 13 127.912 0.300 . 3 . . . . . . . . 6570 1 817 . 1 1 81 81 PHE HD1 H 1 7.153 0.030 . 3 . . . . . . . . 6570 1 818 . 1 1 81 81 PHE CE1 C 13 127.912 0.300 . 3 . . . . . . . . 6570 1 819 . 1 1 81 81 PHE HE1 H 1 7.098 0.030 . 3 . . . . . . . . 6570 1 820 . 1 1 81 81 PHE CZ C 13 125.485 0.300 . 1 . . . . . . . . 6570 1 821 . 1 1 81 81 PHE HZ H 1 7.179 0.030 . 1 . . . . . . . . 6570 1 822 . 1 1 82 82 ARG H H 1 8.630 0.030 . 1 . . . . . . . . 6570 1 823 . 1 1 82 82 ARG N N 15 118.835 0.100 . 1 . . . . . . . . 6570 1 824 . 1 1 82 82 ARG CA C 13 58.068 0.300 . 1 . . . . . . . . 6570 1 825 . 1 1 82 82 ARG HA H 1 3.766 0.030 . 1 . . . . . . . . 6570 1 826 . 1 1 82 82 ARG C C 13 176.020 0.300 . 1 . . . . . . . . 6570 1 827 . 1 1 82 82 ARG CB C 13 27.056 0.300 . 1 . . . . . . . . 6570 1 828 . 1 1 82 82 ARG HB2 H 1 1.911 0.030 . 1 . . . . . . . . 6570 1 829 . 1 1 82 82 ARG CG C 13 25.168 0.300 . 1 . . . . . . . . 6570 1 830 . 1 1 82 82 ARG HG2 H 1 1.706 0.030 . 2 . . . . . . . . 6570 1 831 . 1 1 82 82 ARG HG3 H 1 1.626 0.038 . 2 . . . . . . . . 6570 1 832 . 1 1 82 82 ARG CD C 13 40.780 0.300 . 1 . . . . . . . . 6570 1 833 . 1 1 82 82 ARG HD2 H 1 3.108 0.036 . 1 . . . . . . . . 6570 1 834 . 1 1 83 83 GLU H H 1 7.874 0.030 . 1 . . . . . . . . 6570 1 835 . 1 1 83 83 GLU N N 15 118.518 0.100 . 1 . . . . . . . . 6570 1 836 . 1 1 83 83 GLU CA C 13 56.667 0.300 . 1 . . . . . . . . 6570 1 837 . 1 1 83 83 GLU HA H 1 3.951 0.036 . 1 . . . . . . . . 6570 1 838 . 1 1 83 83 GLU C C 13 176.352 0.300 . 1 . . . . . . . . 6570 1 839 . 1 1 83 83 GLU CB C 13 26.539 0.300 . 1 . . . . . . . . 6570 1 840 . 1 1 83 83 GLU HB2 H 1 1.882 0.030 . 1 . . . . . . . . 6570 1 841 . 1 1 83 83 GLU CG C 13 33.839 0.300 . 1 . . . . . . . . 6570 1 842 . 1 1 83 83 GLU HG2 H 1 2.070 0.030 . 1 . . . . . . . . 6570 1 843 . 1 1 84 84 ALA H H 1 7.692 0.030 . 1 . . . . . . . . 6570 1 844 . 1 1 84 84 ALA N N 15 122.834 0.100 . 1 . . . . . . . . 6570 1 845 . 1 1 84 84 ALA CA C 13 52.516 0.300 . 1 . . . . . . . . 6570 1 846 . 1 1 84 84 ALA HA H 1 4.032 0.030 . 1 . . . . . . . . 6570 1 847 . 1 1 84 84 ALA C C 13 178.077 0.300 . 1 . . . . . . . . 6570 1 848 . 1 1 84 84 ALA CB C 13 15.373 0.300 . 1 . . . . . . . . 6570 1 849 . 1 1 84 84 ALA HB1 H 1 1.323 0.034 . 1 . . . . . . . . 6570 1 850 . 1 1 84 84 ALA HB2 H 1 1.323 0.034 . 1 . . . . . . . . 6570 1 851 . 1 1 84 84 ALA HB3 H 1 1.323 0.034 . 1 . . . . . . . . 6570 1 852 . 1 1 85 85 ILE H H 1 8.386 0.000 . 1 . . . . . . . . 6570 1 853 . 1 1 85 85 ILE N N 15 119.482 0.100 . 1 . . . . . . . . 6570 1 854 . 1 1 85 85 ILE CA C 13 62.900 0.300 . 1 . . . . . . . . 6570 1 855 . 1 1 85 85 ILE HA H 1 3.488 0.036 . 1 . . . . . . . . 6570 1 856 . 1 1 85 85 ILE C C 13 174.671 0.300 . 1 . . . . . . . . 6570 1 857 . 1 1 85 85 ILE CB C 13 34.876 0.300 . 1 . . . . . . . . 6570 1 858 . 1 1 85 85 ILE HB H 1 1.807 0.038 . 1 . . . . . . . . 6570 1 859 . 1 1 85 85 ILE CG2 C 13 15.461 0.300 . 1 . . . . . . . . 6570 1 860 . 1 1 85 85 ILE HG21 H 1 0.618 0.034 . 1 . . . . . . . . 6570 1 861 . 1 1 85 85 ILE HG22 H 1 0.618 0.034 . 1 . . . . . . . . 6570 1 862 . 1 1 85 85 ILE HG23 H 1 0.618 0.034 . 1 . . . . . . . . 6570 1 863 . 1 1 85 85 ILE CG1 C 13 25.708 0.300 . 1 . . . . . . . . 6570 1 864 . 1 1 85 85 ILE HG12 H 1 1.324 0.036 . 2 . . . . . . . . 6570 1 865 . 1 1 85 85 ILE HG13 H 1 0.477 0.038 . 2 . . . . . . . . 6570 1 866 . 1 1 85 85 ILE CD1 C 13 11.416 0.300 . 1 . . . . . . . . 6570 1 867 . 1 1 85 85 ILE HD11 H 1 0.323 0.030 . 1 . . . . . . . . 6570 1 868 . 1 1 85 85 ILE HD12 H 1 0.323 0.030 . 1 . . . . . . . . 6570 1 869 . 1 1 85 85 ILE HD13 H 1 0.323 0.030 . 1 . . . . . . . . 6570 1 870 . 1 1 86 86 ASN H H 1 7.918 0.030 . 1 . . . . . . . . 6570 1 871 . 1 1 86 86 ASN N N 15 120.521 0.100 . 1 . . . . . . . . 6570 1 872 . 1 1 86 86 ASN CA C 13 52.944 0.300 . 1 . . . . . . . . 6570 1 873 . 1 1 86 86 ASN HA H 1 4.498 0.033 . 1 . . . . . . . . 6570 1 874 . 1 1 86 86 ASN C C 13 175.464 0.300 . 1 . . . . . . . . 6570 1 875 . 1 1 86 86 ASN CB C 13 35.146 0.300 . 1 . . . . . . . . 6570 1 876 . 1 1 86 86 ASN HB2 H 1 2.869 0.031 . 2 . . . . . . . . 6570 1 877 . 1 1 86 86 ASN HB3 H 1 2.782 0.030 . 2 . . . . . . . . 6570 1 878 . 1 1 86 86 ASN ND2 N 15 111.573 0.100 . 1 . . . . . . . . 6570 1 879 . 1 1 86 86 ASN HD21 H 1 7.562 0.030 . 1 . . . . . . . . 6570 1 880 . 1 1 86 86 ASN HD22 H 1 6.750 0.030 . 1 . . . . . . . . 6570 1 881 . 1 1 87 87 LYS H H 1 7.668 0.030 . 1 . . . . . . . . 6570 1 882 . 1 1 87 87 LYS N N 15 120.736 0.100 . 1 . . . . . . . . 6570 1 883 . 1 1 87 87 LYS CA C 13 56.989 0.300 . 1 . . . . . . . . 6570 1 884 . 1 1 87 87 LYS HA H 1 4.017 0.030 . 1 . . . . . . . . 6570 1 885 . 1 1 87 87 LYS C C 13 175.704 0.300 . 1 . . . . . . . . 6570 1 886 . 1 1 87 87 LYS CB C 13 29.213 0.300 . 1 . . . . . . . . 6570 1 887 . 1 1 87 87 LYS HB2 H 1 1.836 0.035 . 1 . . . . . . . . 6570 1 888 . 1 1 87 87 LYS CG C 13 22.741 0.300 . 1 . . . . . . . . 6570 1 889 . 1 1 87 87 LYS HG2 H 1 1.531 0.038 . 2 . . . . . . . . 6570 1 890 . 1 1 87 87 LYS HG3 H 1 1.333 0.039 . 2 . . . . . . . . 6570 1 891 . 1 1 87 87 LYS CD C 13 26.517 0.300 . 1 . . . . . . . . 6570 1 892 . 1 1 87 87 LYS HD2 H 1 1.587 0.032 . 1 . . . . . . . . 6570 1 893 . 1 1 87 87 LYS CE C 13 39.191 0.300 . 1 . . . . . . . . 6570 1 894 . 1 1 87 87 LYS HE2 H 1 2.889 0.035 . 1 . . . . . . . . 6570 1 895 . 1 1 88 88 LEU H H 1 7.833 0.030 . 1 . . . . . . . . 6570 1 896 . 1 1 88 88 LEU N N 15 121.017 0.100 . 1 . . . . . . . . 6570 1 897 . 1 1 88 88 LEU CA C 13 56.009 0.300 . 1 . . . . . . . . 6570 1 898 . 1 1 88 88 LEU HA H 1 3.983 0.030 . 1 . . . . . . . . 6570 1 899 . 1 1 88 88 LEU C C 13 174.955 0.300 . 1 . . . . . . . . 6570 1 900 . 1 1 88 88 LEU CB C 13 38.652 0.300 . 1 . . . . . . . . 6570 1 901 . 1 1 88 88 LEU HB2 H 1 2.292 0.031 . 2 . . . . . . . . 6570 1 902 . 1 1 88 88 LEU HB3 H 1 1.391 0.031 . 2 . . . . . . . . 6570 1 903 . 1 1 88 88 LEU CG C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 904 . 1 1 88 88 LEU CD1 C 13 20.854 0.300 . 1 . . . . . . . . 6570 1 905 . 1 1 88 88 LEU HD11 H 1 0.790 0.034 . 1 . . . . . . . . 6570 1 906 . 1 1 88 88 LEU HD12 H 1 0.790 0.034 . 1 . . . . . . . . 6570 1 907 . 1 1 88 88 LEU HD13 H 1 0.790 0.034 . 1 . . . . . . . . 6570 1 908 . 1 1 88 88 LEU CD2 C 13 23.550 0.300 . 1 . . . . . . . . 6570 1 909 . 1 1 88 88 LEU HD21 H 1 0.877 0.030 . 1 . . . . . . . . 6570 1 910 . 1 1 88 88 LEU HD22 H 1 0.877 0.030 . 1 . . . . . . . . 6570 1 911 . 1 1 88 88 LEU HD23 H 1 0.877 0.030 . 1 . . . . . . . . 6570 1 912 . 1 1 88 88 LEU HG H 1 1.486 0.036 . 1 . . . . . . . . 6570 1 913 . 1 1 89 89 GLU H H 1 8.588 0.030 . 1 . . . . . . . . 6570 1 914 . 1 1 89 89 GLU N N 15 119.482 0.100 . 1 . . . . . . . . 6570 1 915 . 1 1 89 89 GLU CA C 13 57.259 0.300 . 1 . . . . . . . . 6570 1 916 . 1 1 89 89 GLU HA H 1 3.360 0.037 . 1 . . . . . . . . 6570 1 917 . 1 1 89 89 GLU C C 13 176.019 0.300 . 1 . . . . . . . . 6570 1 918 . 1 1 89 89 GLU CB C 13 26.517 0.300 . 1 . . . . . . . . 6570 1 919 . 1 1 89 89 GLU HB2 H 1 2.154 0.039 . 2 . . . . . . . . 6570 1 920 . 1 1 89 89 GLU HB3 H 1 1.999 0.037 . 2 . . . . . . . . 6570 1 921 . 1 1 89 89 GLU CG C 13 32.989 0.300 . 1 . . . . . . . . 6570 1 922 . 1 1 89 89 GLU HG2 H 1 1.840 0.034 . 1 . . . . . . . . 6570 1 923 . 1 1 90 90 ASN H H 1 7.836 0.030 . 1 . . . . . . . . 6570 1 924 . 1 1 90 90 ASN N N 15 117.650 0.100 . 1 . . . . . . . . 6570 1 925 . 1 1 90 90 ASN CA C 13 53.462 0.300 . 1 . . . . . . . . 6570 1 926 . 1 1 90 90 ASN HA H 1 4.209 0.030 . 1 . . . . . . . . 6570 1 927 . 1 1 90 90 ASN C C 13 174.828 0.300 . 1 . . . . . . . . 6570 1 928 . 1 1 90 90 ASN CB C 13 35.481 0.300 . 1 . . . . . . . . 6570 1 929 . 1 1 90 90 ASN HB2 H 1 2.766 0.030 . 1 . . . . . . . . 6570 1 930 . 1 1 90 90 ASN ND2 N 15 113.309 0.100 . 1 . . . . . . . . 6570 1 931 . 1 1 90 90 ASN HD21 H 1 7.412 0.030 . 1 . . . . . . . . 6570 1 932 . 1 1 90 90 ASN HD22 H 1 6.800 0.030 . 1 . . . . . . . . 6570 1 933 . 1 1 91 91 ASN H H 1 8.497 0.030 . 1 . . . . . . . . 6570 1 934 . 1 1 91 91 ASN N N 15 119.193 0.100 . 1 . . . . . . . . 6570 1 935 . 1 1 91 91 ASN CA C 13 52.610 0.300 . 1 . . . . . . . . 6570 1 936 . 1 1 91 91 ASN HA H 1 4.416 0.030 . 1 . . . . . . . . 6570 1 937 . 1 1 91 91 ASN C C 13 175.687 0.300 . 1 . . . . . . . . 6570 1 938 . 1 1 91 91 ASN CB C 13 35.416 0.300 . 1 . . . . . . . . 6570 1 939 . 1 1 91 91 ASN HB2 H 1 2.784 0.034 . 2 . . . . . . . . 6570 1 940 . 1 1 91 91 ASN HB3 H 1 2.386 0.033 . 2 . . . . . . . . 6570 1 941 . 1 1 91 91 ASN ND2 N 15 110.705 0.100 . 1 . . . . . . . . 6570 1 942 . 1 1 91 91 ASN HD21 H 1 6.764 0.030 . 1 . . . . . . . . 6570 1 943 . 1 1 91 91 ASN HD22 H 1 6.658 0.030 . 1 . . . . . . . . 6570 1 944 . 1 1 92 92 LEU H H 1 8.421 0.030 . 1 . . . . . . . . 6570 1 945 . 1 1 92 92 LEU N N 15 120.640 0.100 . 1 . . . . . . . . 6570 1 946 . 1 1 92 92 LEU CA C 13 55.236 0.300 . 1 . . . . . . . . 6570 1 947 . 1 1 92 92 LEU HA H 1 3.930 0.038 . 1 . . . . . . . . 6570 1 948 . 1 1 92 92 LEU C C 13 176.486 0.300 . 1 . . . . . . . . 6570 1 949 . 1 1 92 92 LEU CB C 13 38.382 0.300 . 1 . . . . . . . . 6570 1 950 . 1 1 92 92 LEU HB2 H 1 1.783 0.034 . 2 . . . . . . . . 6570 1 951 . 1 1 92 92 LEU HB3 H 1 1.175 0.030 . 2 . . . . . . . . 6570 1 952 . 1 1 92 92 LEU CG C 13 23.550 0.300 . 1 . . . . . . . . 6570 1 953 . 1 1 92 92 LEU CD1 C 13 22.741 0.300 . 1 . . . . . . . . 6570 1 954 . 1 1 92 92 LEU HD11 H 1 0.549 0.031 . 2 . . . . . . . . 6570 1 955 . 1 1 92 92 LEU HD12 H 1 0.549 0.031 . 2 . . . . . . . . 6570 1 956 . 1 1 92 92 LEU HD13 H 1 0.549 0.031 . 2 . . . . . . . . 6570 1 957 . 1 1 92 92 LEU CD2 C 13 19.775 0.300 . 1 . . . . . . . . 6570 1 958 . 1 1 92 92 LEU HD21 H 1 0.703 0.030 . 2 . . . . . . . . 6570 1 959 . 1 1 92 92 LEU HD22 H 1 0.703 0.030 . 2 . . . . . . . . 6570 1 960 . 1 1 92 92 LEU HD23 H 1 0.703 0.030 . 2 . . . . . . . . 6570 1 961 . 1 1 92 92 LEU HG H 1 1.694 0.031 . 1 . . . . . . . . 6570 1 962 . 1 1 93 93 ARG H H 1 7.934 0.030 . 1 . . . . . . . . 6570 1 963 . 1 1 93 93 ARG N N 15 120.618 0.100 . 1 . . . . . . . . 6570 1 964 . 1 1 93 93 ARG CA C 13 56.882 0.300 . 1 . . . . . . . . 6570 1 965 . 1 1 93 93 ARG HA H 1 3.894 0.032 . 1 . . . . . . . . 6570 1 966 . 1 1 93 93 ARG C C 13 176.685 0.300 . 1 . . . . . . . . 6570 1 967 . 1 1 93 93 ARG CB C 13 27.056 0.300 . 1 . . . . . . . . 6570 1 968 . 1 1 93 93 ARG HB2 H 1 1.908 0.034 . 2 . . . . . . . . 6570 1 969 . 1 1 93 93 ARG HB3 H 1 1.828 0.037 . 2 . . . . . . . . 6570 1 970 . 1 1 93 93 ARG CG C 13 24.899 0.300 . 1 . . . . . . . . 6570 1 971 . 1 1 93 93 ARG HG2 H 1 1.556 0.030 . 2 . . . . . . . . 6570 1 972 . 1 1 93 93 ARG HG3 H 1 1.478 0.034 . 2 . . . . . . . . 6570 1 973 . 1 1 93 93 ARG CD C 13 40.539 0.300 . 1 . . . . . . . . 6570 1 974 . 1 1 93 93 ARG HD2 H 1 3.104 0.038 . 1 . . . . . . . . 6570 1 975 . 1 1 94 94 GLU H H 1 7.626 0.030 . 1 . . . . . . . . 6570 1 976 . 1 1 94 94 GLU N N 15 117.264 0.100 . 1 . . . . . . . . 6570 1 977 . 1 1 94 94 GLU CA C 13 55.977 0.300 . 1 . . . . . . . . 6570 1 978 . 1 1 94 94 GLU HA H 1 3.969 0.030 . 1 . . . . . . . . 6570 1 979 . 1 1 94 94 GLU C C 13 175.306 0.300 . 1 . . . . . . . . 6570 1 980 . 1 1 94 94 GLU CB C 13 27.255 0.300 . 1 . . . . . . . . 6570 1 981 . 1 1 94 94 GLU HB2 H 1 2.139 0.035 . 1 . . . . . . . . 6570 1 982 . 1 1 94 94 GLU CG C 13 32.539 0.380 . 1 . . . . . . . . 6570 1 983 . 1 1 94 94 GLU HG2 H 1 2.373 0.034 . 2 . . . . . . . . 6570 1 984 . 1 1 94 94 GLU HG3 H 1 2.149 0.030 . 2 . . . . . . . . 6570 1 985 . 1 1 95 95 LEU H H 1 7.215 0.030 . 1 . . . . . . . . 6570 1 986 . 1 1 95 95 LEU N N 15 117.534 0.100 . 1 . . . . . . . . 6570 1 987 . 1 1 95 95 LEU CA C 13 53.023 0.300 . 1 . . . . . . . . 6570 1 988 . 1 1 95 95 LEU HA H 1 4.268 0.038 . 1 . . . . . . . . 6570 1 989 . 1 1 95 95 LEU C C 13 174.617 0.300 . 1 . . . . . . . . 6570 1 990 . 1 1 95 95 LEU CB C 13 40.270 0.300 . 1 . . . . . . . . 6570 1 991 . 1 1 95 95 LEU HB2 H 1 1.852 0.033 . 2 . . . . . . . . 6570 1 992 . 1 1 95 95 LEU HB3 H 1 1.608 0.036 . 2 . . . . . . . . 6570 1 993 . 1 1 95 95 LEU CG C 13 24.359 0.300 . 1 . . . . . . . . 6570 1 994 . 1 1 95 95 LEU CD1 C 13 20.584 0.300 . 1 . . . . . . . . 6570 1 995 . 1 1 95 95 LEU HD11 H 1 0.789 0.034 . 2 . . . . . . . . 6570 1 996 . 1 1 95 95 LEU HD12 H 1 0.789 0.034 . 2 . . . . . . . . 6570 1 997 . 1 1 95 95 LEU HD13 H 1 0.789 0.034 . 2 . . . . . . . . 6570 1 998 . 1 1 95 95 LEU CD2 C 13 23.820 0.300 . 1 . . . . . . . . 6570 1 999 . 1 1 95 95 LEU HD21 H 1 0.943 0.036 . 2 . . . . . . . . 6570 1 1000 . 1 1 95 95 LEU HD22 H 1 0.943 0.036 . 2 . . . . . . . . 6570 1 1001 . 1 1 95 95 LEU HD23 H 1 0.943 0.036 . 2 . . . . . . . . 6570 1 1002 . 1 1 95 95 LEU HG H 1 1.614 0.035 . 1 . . . . . . . . 6570 1 1003 . 1 1 96 96 GLN H H 1 7.533 0.030 . 1 . . . . . . . . 6570 1 1004 . 1 1 96 96 GLN N N 15 117.872 0.100 . 1 . . . . . . . . 6570 1 1005 . 1 1 96 96 GLN CA C 13 54.205 0.300 . 1 . . . . . . . . 6570 1 1006 . 1 1 96 96 GLN HA H 1 4.044 0.031 . 1 . . . . . . . . 6570 1 1007 . 1 1 96 96 GLN C C 13 173.378 0.300 . 1 . . . . . . . . 6570 1 1008 . 1 1 96 96 GLN CB C 13 26.897 0.300 . 1 . . . . . . . . 6570 1 1009 . 1 1 96 96 GLN HB2 H 1 2.020 0.031 . 1 . . . . . . . . 6570 1 1010 . 1 1 96 96 GLN CG C 13 31.620 0.300 . 1 . . . . . . . . 6570 1 1011 . 1 1 96 96 GLN HG2 H 1 2.375 0.030 . 1 . . . . . . . . 6570 1 1012 . 1 1 96 96 GLN NE2 N 15 111.766 0.100 . 1 . . . . . . . . 6570 1 1013 . 1 1 96 96 GLN HE21 H 1 7.185 0.030 . 1 . . . . . . . . 6570 1 1014 . 1 1 96 96 GLN HE22 H 1 6.795 0.030 . 1 . . . . . . . . 6570 1 1015 . 1 1 97 97 ILE H H 1 7.629 0.030 . 1 . . . . . . . . 6570 1 1016 . 1 1 97 97 ILE N N 15 118.807 0.100 . 1 . . . . . . . . 6570 1 1017 . 1 1 97 97 ILE CA C 13 58.512 0.300 . 1 . . . . . . . . 6570 1 1018 . 1 1 97 97 ILE HA H 1 4.050 0.030 . 1 . . . . . . . . 6570 1 1019 . 1 1 97 97 ILE C C 13 172.982 0.300 . 1 . . . . . . . . 6570 1 1020 . 1 1 97 97 ILE CB C 13 35.802 0.300 . 1 . . . . . . . . 6570 1 1021 . 1 1 97 97 ILE HB H 1 1.802 0.030 . 1 . . . . . . . . 6570 1 1022 . 1 1 97 97 ILE CG2 C 13 14.652 0.300 . 1 . . . . . . . . 6570 1 1023 . 1 1 97 97 ILE HG21 H 1 0.791 0.034 . 1 . . . . . . . . 6570 1 1024 . 1 1 97 97 ILE HG22 H 1 0.791 0.034 . 1 . . . . . . . . 6570 1 1025 . 1 1 97 97 ILE HG23 H 1 0.791 0.034 . 1 . . . . . . . . 6570 1 1026 . 1 1 97 97 ILE CG1 C 13 24.359 0.300 . 1 . . . . . . . . 6570 1 1027 . 1 1 97 97 ILE HG12 H 1 1.401 0.030 . 2 . . . . . . . . 6570 1 1028 . 1 1 97 97 ILE HG13 H 1 1.104 0.030 . 2 . . . . . . . . 6570 1 1029 . 1 1 97 97 ILE CD1 C 13 10.337 0.300 . 1 . . . . . . . . 6570 1 1030 . 1 1 97 97 ILE HD11 H 1 0.737 0.030 . 1 . . . . . . . . 6570 1 1031 . 1 1 97 97 ILE HD12 H 1 0.737 0.030 . 1 . . . . . . . . 6570 1 1032 . 1 1 97 97 ILE HD13 H 1 0.737 0.030 . 1 . . . . . . . . 6570 1 1033 . 1 1 98 98 CYS H H 1 8.169 0.030 . 1 . . . . . . . . 6570 1 1034 . 1 1 98 98 CYS N N 15 124.788 0.100 . 1 . . . . . . . . 6570 1 1035 . 1 1 98 98 CYS CA C 13 53.753 0.300 . 1 . . . . . . . . 6570 1 1036 . 1 1 98 98 CYS HA H 1 4.640 0.032 . 1 . . . . . . . . 6570 1 1037 . 1 1 98 98 CYS CB C 13 24.502 0.300 . 1 . . . . . . . . 6570 1 1038 . 1 1 98 98 CYS HB2 H 1 2.818 0.032 . 2 . . . . . . . . 6570 1 1039 . 1 1 98 98 CYS HB3 H 1 2.756 0.030 . 2 . . . . . . . . 6570 1 1040 . 1 1 99 99 PRO CA C 13 60.764 0.300 . 1 . . . . . . . . 6570 1 1041 . 1 1 99 99 PRO HA H 1 4.297 0.033 . 1 . . . . . . . . 6570 1 1042 . 1 1 99 99 PRO C C 13 174.128 0.300 . 1 . . . . . . . . 6570 1 1043 . 1 1 99 99 PRO CB C 13 28.944 0.300 . 1 . . . . . . . . 6570 1 1044 . 1 1 99 99 PRO HB2 H 1 2.197 0.036 . 2 . . . . . . . . 6570 1 1045 . 1 1 99 99 PRO HB3 H 1 1.830 0.034 . 2 . . . . . . . . 6570 1 1046 . 1 1 99 99 PRO CG C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 1047 . 1 1 99 99 PRO HG2 H 1 1.922 0.034 . 2 . . . . . . . . 6570 1 1048 . 1 1 99 99 PRO HG3 H 1 1.825 0.033 . 2 . . . . . . . . 6570 1 1049 . 1 1 99 99 PRO CD C 13 48.090 0.300 . 1 . . . . . . . . 6570 1 1050 . 1 1 99 99 PRO HD2 H 1 3.692 0.039 . 2 . . . . . . . . 6570 1 1051 . 1 1 99 99 PRO HD3 H 1 3.636 0.030 . 2 . . . . . . . . 6570 1 1052 . 1 1 100 100 ALA H H 1 8.264 0.030 . 1 . . . . . . . . 6570 1 1053 . 1 1 100 100 ALA N N 15 123.630 0.100 . 1 . . . . . . . . 6570 1 1054 . 1 1 100 100 ALA CA C 13 50.153 0.300 . 1 . . . . . . . . 6570 1 1055 . 1 1 100 100 ALA HA H 1 4.176 0.036 . 1 . . . . . . . . 6570 1 1056 . 1 1 100 100 ALA C C 13 175.392 0.300 . 1 . . . . . . . . 6570 1 1057 . 1 1 100 100 ALA CB C 13 16.520 0.300 . 1 . . . . . . . . 6570 1 1058 . 1 1 100 100 ALA HB1 H 1 1.291 0.033 . 1 . . . . . . . . 6570 1 1059 . 1 1 100 100 ALA HB2 H 1 1.291 0.033 . 1 . . . . . . . . 6570 1 1060 . 1 1 100 100 ALA HB3 H 1 1.291 0.033 . 1 . . . . . . . . 6570 1 1061 . 1 1 101 101 THR H H 1 7.897 0.030 . 1 . . . . . . . . 6570 1 1062 . 1 1 101 101 THR N N 15 112.441 0.100 . 1 . . . . . . . . 6570 1 1063 . 1 1 101 101 THR CA C 13 58.814 0.300 . 1 . . . . . . . . 6570 1 1064 . 1 1 101 101 THR HA H 1 4.220 0.033 . 1 . . . . . . . . 6570 1 1065 . 1 1 101 101 THR C C 13 171.637 0.300 . 1 . . . . . . . . 6570 1 1066 . 1 1 101 101 THR CB C 13 67.236 0.300 . 1 . . . . . . . . 6570 1 1067 . 1 1 101 101 THR HB H 1 4.130 0.035 . 1 . . . . . . . . 6570 1 1068 . 1 1 101 101 THR CG2 C 13 18.799 0.325 . 1 . . . . . . . . 6570 1 1069 . 1 1 101 101 THR HG21 H 1 1.109 0.030 . 1 . . . . . . . . 6570 1 1070 . 1 1 101 101 THR HG22 H 1 1.109 0.030 . 1 . . . . . . . . 6570 1 1071 . 1 1 101 101 THR HG23 H 1 1.109 0.030 . 1 . . . . . . . . 6570 1 1072 . 1 1 102 102 ALA H H 1 8.199 0.030 . 1 . . . . . . . . 6570 1 1073 . 1 1 102 102 ALA N N 15 126.331 0.100 . 1 . . . . . . . . 6570 1 1074 . 1 1 102 102 ALA CA C 13 50.153 0.300 . 1 . . . . . . . . 6570 1 1075 . 1 1 102 102 ALA HA H 1 4.233 0.030 . 1 . . . . . . . . 6570 1 1076 . 1 1 102 102 ALA C C 13 175.439 0.300 . 1 . . . . . . . . 6570 1 1077 . 1 1 102 102 ALA CB C 13 16.363 0.300 . 1 . . . . . . . . 6570 1 1078 . 1 1 102 102 ALA HB1 H 1 1.304 0.033 . 1 . . . . . . . . 6570 1 1079 . 1 1 102 102 ALA HB2 H 1 1.304 0.033 . 1 . . . . . . . . 6570 1 1080 . 1 1 102 102 ALA HB3 H 1 1.304 0.033 . 1 . . . . . . . . 6570 1 1081 . 1 1 103 103 GLY H H 1 8.303 0.030 . 1 . . . . . . . . 6570 1 1082 . 1 1 103 103 GLY N N 15 108.583 0.100 . 1 . . . . . . . . 6570 1 1083 . 1 1 103 103 GLY CA C 13 42.691 0.300 . 1 . . . . . . . . 6570 1 1084 . 1 1 103 103 GLY HA2 H 1 3.875 0.036 . 1 . . . . . . . . 6570 1 1085 . 1 1 103 103 GLY C C 13 171.360 0.300 . 1 . . . . . . . . 6570 1 1086 . 1 1 104 104 SER H H 1 8.081 0.030 . 1 . . . . . . . . 6570 1 1087 . 1 1 104 104 SER N N 15 115.238 0.100 . 1 . . . . . . . . 6570 1 1088 . 1 1 104 104 SER CA C 13 55.522 0.300 . 1 . . . . . . . . 6570 1 1089 . 1 1 104 104 SER HA H 1 4.451 0.033 . 1 . . . . . . . . 6570 1 1090 . 1 1 104 104 SER C C 13 171.702 0.300 . 1 . . . . . . . . 6570 1 1091 . 1 1 104 104 SER CB C 13 61.391 0.300 . 1 . . . . . . . . 6570 1 1092 . 1 1 104 104 SER HB2 H 1 3.809 0.032 . 2 . . . . . . . . 6570 1 1093 . 1 1 104 104 SER HB3 H 1 3.770 0.031 . 2 . . . . . . . . 6570 1 1094 . 1 1 105 105 GLY H H 1 8.185 0.030 . 1 . . . . . . . . 6570 1 1095 . 1 1 105 105 GLY N N 15 110.801 0.100 . 1 . . . . . . . . 6570 1 1096 . 1 1 105 105 GLY CA C 13 41.825 0.300 . 1 . . . . . . . . 6570 1 1097 . 1 1 105 105 GLY HA2 H 1 4.008 0.030 . 1 . . . . . . . . 6570 1 1098 . 1 1 106 106 PRO CA C 13 59.686 0.300 . 1 . . . . . . . . 6570 1 1099 . 1 1 106 106 PRO HA H 1 4.509 0.030 . 1 . . . . . . . . 6570 1 1100 . 1 1 106 106 PRO C C 13 173.393 0.300 . 1 . . . . . . . . 6570 1 1101 . 1 1 106 106 PRO CB C 13 31.957 0.346 . 1 . . . . . . . . 6570 1 1102 . 1 1 106 106 PRO HB2 H 1 2.282 0.030 . 2 . . . . . . . . 6570 1 1103 . 1 1 106 106 PRO HB3 H 1 2.038 0.030 . 2 . . . . . . . . 6570 1 1104 . 1 1 106 106 PRO CG C 13 22.202 0.300 . 1 . . . . . . . . 6570 1 1105 . 1 1 106 106 PRO HG2 H 1 1.846 0.033 . 1 . . . . . . . . 6570 1 1106 . 1 1 106 106 PRO CD C 13 47.281 0.300 . 1 . . . . . . . . 6570 1 1107 . 1 1 106 106 PRO HD2 H 1 3.488 0.030 . 2 . . . . . . . . 6570 1 1108 . 1 1 106 106 PRO HD3 H 1 3.420 0.030 . 2 . . . . . . . . 6570 1 1109 . 1 1 107 107 ALA H H 1 8.463 0.030 . 1 . . . . . . . . 6570 1 1110 . 1 1 107 107 ALA N N 15 125.077 0.100 . 1 . . . . . . . . 6570 1 1111 . 1 1 107 107 ALA CA C 13 49.731 0.300 . 1 . . . . . . . . 6570 1 1112 . 1 1 107 107 ALA HA H 1 4.221 0.030 . 1 . . . . . . . . 6570 1 1113 . 1 1 107 107 ALA C C 13 174.762 0.300 . 1 . . . . . . . . 6570 1 1114 . 1 1 107 107 ALA CB C 13 16.592 0.300 . 1 . . . . . . . . 6570 1 1115 . 1 1 107 107 ALA HB1 H 1 1.294 0.030 . 1 . . . . . . . . 6570 1 1116 . 1 1 107 107 ALA HB2 H 1 1.294 0.030 . 1 . . . . . . . . 6570 1 1117 . 1 1 107 107 ALA HB3 H 1 1.294 0.030 . 1 . . . . . . . . 6570 1 1118 . 1 1 108 108 ALA H H 1 8.076 0.030 . 1 . . . . . . . . 6570 1 1119 . 1 1 108 108 ALA N N 15 123.283 0.100 . 1 . . . . . . . . 6570 1 1120 . 1 1 108 108 ALA CA C 13 49.731 0.300 . 1 . . . . . . . . 6570 1 1121 . 1 1 108 108 ALA HA H 1 4.218 0.030 . 1 . . . . . . . . 6570 1 1122 . 1 1 108 108 ALA C C 13 175.078 0.300 . 1 . . . . . . . . 6570 1 1123 . 1 1 108 108 ALA CB C 13 16.627 0.300 . 1 . . . . . . . . 6570 1 1124 . 1 1 108 108 ALA HB1 H 1 1.279 0.035 . 1 . . . . . . . . 6570 1 1125 . 1 1 108 108 ALA HB2 H 1 1.279 0.035 . 1 . . . . . . . . 6570 1 1126 . 1 1 108 108 ALA HB3 H 1 1.279 0.035 . 1 . . . . . . . . 6570 1 1127 . 1 1 109 109 THR H H 1 7.982 0.030 . 1 . . . . . . . . 6570 1 1128 . 1 1 109 109 THR N N 15 113.984 0.100 . 1 . . . . . . . . 6570 1 1129 . 1 1 109 109 THR CA C 13 59.101 0.300 . 1 . . . . . . . . 6570 1 1130 . 1 1 109 109 THR HA H 1 4.201 0.034 . 1 . . . . . . . . 6570 1 1131 . 1 1 109 109 THR C C 13 171.500 0.300 . 1 . . . . . . . . 6570 1 1132 . 1 1 109 109 THR CB C 13 66.966 0.300 . 1 . . . . . . . . 6570 1 1133 . 1 1 109 109 THR HB H 1 4.063 0.032 . 1 . . . . . . . . 6570 1 1134 . 1 1 109 109 THR CG2 C 13 19.025 0.300 . 1 . . . . . . . . 6570 1 1135 . 1 1 109 109 THR HG21 H 1 1.109 0.034 . 1 . . . . . . . . 6570 1 1136 . 1 1 109 109 THR HG22 H 1 1.109 0.034 . 1 . . . . . . . . 6570 1 1137 . 1 1 109 109 THR HG23 H 1 1.109 0.034 . 1 . . . . . . . . 6570 1 1138 . 1 1 110 110 GLN H H 1 8.270 0.030 . 1 . . . . . . . . 6570 1 1139 . 1 1 110 110 GLN N N 15 123.244 0.100 . 1 . . . . . . . . 6570 1 1140 . 1 1 110 110 GLN CA C 13 52.643 0.300 . 1 . . . . . . . . 6570 1 1141 . 1 1 110 110 GLN HA H 1 4.057 0.031 . 1 . . . . . . . . 6570 1 1142 . 1 1 110 110 GLN C C 13 171.247 0.300 . 1 . . . . . . . . 6570 1 1143 . 1 1 110 110 GLN CB C 13 27.326 0.300 . 1 . . . . . . . . 6570 1 1144 . 1 1 110 110 GLN HB2 H 1 1.559 0.039 . 2 . . . . . . . . 6570 1 1145 . 1 1 110 110 GLN HB3 H 1 1.558 0.030 . 2 . . . . . . . . 6570 1 1146 . 1 1 110 110 GLN CG C 13 31.101 0.300 . 1 . . . . . . . . 6570 1 1147 . 1 1 110 110 GLN HG2 H 1 1.975 0.030 . 2 . . . . . . . . 6570 1 1148 . 1 1 110 110 GLN HG3 H 1 1.833 0.030 . 2 . . . . . . . . 6570 1 1149 . 1 1 110 110 GLN NE2 N 15 112.537 0.100 . 1 . . . . . . . . 6570 1 1150 . 1 1 110 110 GLN HE21 H 1 7.314 0.030 . 1 . . . . . . . . 6570 1 1151 . 1 1 110 110 GLN HE22 H 1 6.761 0.030 . 1 . . . . . . . . 6570 1 1152 . 1 1 111 111 ASP H H 1 8.046 0.030 . 1 . . . . . . . . 6570 1 1153 . 1 1 111 111 ASP N N 15 121.219 0.100 . 1 . . . . . . . . 6570 1 1154 . 1 1 111 111 ASP CA C 13 50.517 0.300 . 1 . . . . . . . . 6570 1 1155 . 1 1 111 111 ASP HA H 1 4.500 0.030 . 1 . . . . . . . . 6570 1 1156 . 1 1 111 111 ASP C C 13 173.959 0.300 . 1 . . . . . . . . 6570 1 1157 . 1 1 111 111 ASP CB C 13 38.382 0.300 . 1 . . . . . . . . 6570 1 1158 . 1 1 111 111 ASP HB2 H 1 2.648 0.030 . 2 . . . . . . . . 6570 1 1159 . 1 1 111 111 ASP HB3 H 1 2.529 0.033 . 2 . . . . . . . . 6570 1 1160 . 1 1 112 112 PHE H H 1 8.777 0.030 . 1 . . . . . . . . 6570 1 1161 . 1 1 112 112 PHE N N 15 123.244 0.100 . 1 . . . . . . . . 6570 1 1162 . 1 1 112 112 PHE CA C 13 54.832 0.300 . 1 . . . . . . . . 6570 1 1163 . 1 1 112 112 PHE HA H 1 4.878 0.036 . 1 . . . . . . . . 6570 1 1164 . 1 1 112 112 PHE C C 13 173.379 0.300 . 1 . . . . . . . . 6570 1 1165 . 1 1 112 112 PHE CB C 13 36.225 0.300 . 1 . . . . . . . . 6570 1 1166 . 1 1 112 112 PHE HB2 H 1 3.426 0.032 . 2 . . . . . . . . 6570 1 1167 . 1 1 112 112 PHE HB3 H 1 2.790 0.036 . 2 . . . . . . . . 6570 1 1168 . 1 1 112 112 PHE CD1 C 13 128.215 0.300 . 3 . . . . . . . . 6570 1 1169 . 1 1 112 112 PHE HD1 H 1 7.140 0.030 . 3 . . . . . . . . 6570 1 1170 . 1 1 112 112 PHE CE1 C 13 127.912 0.300 . 3 . . . . . . . . 6570 1 1171 . 1 1 112 112 PHE HE1 H 1 7.407 0.030 . 3 . . . . . . . . 6570 1 1172 . 1 1 112 112 PHE HZ H 1 7.007 0.030 . 1 . . . . . . . . 6570 1 1173 . 1 1 113 113 SER H H 1 8.596 0.030 . 1 . . . . . . . . 6570 1 1174 . 1 1 113 113 SER N N 15 117.264 0.100 . 1 . . . . . . . . 6570 1 1175 . 1 1 113 113 SER CA C 13 60.495 0.300 . 1 . . . . . . . . 6570 1 1176 . 1 1 113 113 SER HA H 1 3.980 0.031 . 1 . . . . . . . . 6570 1 1177 . 1 1 113 113 SER C C 13 174.651 0.300 . 1 . . . . . . . . 6570 1 1178 . 1 1 113 113 SER CB C 13 59.955 0.300 . 1 . . . . . . . . 6570 1 1179 . 1 1 113 113 SER HB2 H 1 3.947 0.030 . 1 . . . . . . . . 6570 1 1180 . 1 1 114 114 LYS H H 1 8.160 0.030 . 1 . . . . . . . . 6570 1 1181 . 1 1 114 114 LYS N N 15 123.726 0.100 . 1 . . . . . . . . 6570 1 1182 . 1 1 114 114 LYS CA C 13 57.259 0.300 . 1 . . . . . . . . 6570 1 1183 . 1 1 114 114 LYS HA H 1 4.102 0.033 . 1 . . . . . . . . 6570 1 1184 . 1 1 114 114 LYS C C 13 176.978 0.300 . 1 . . . . . . . . 6570 1 1185 . 1 1 114 114 LYS CB C 13 28.674 0.300 . 1 . . . . . . . . 6570 1 1186 . 1 1 114 114 LYS HB2 H 1 1.717 0.030 . 1 . . . . . . . . 6570 1 1187 . 1 1 114 114 LYS CG C 13 23.011 0.300 . 1 . . . . . . . . 6570 1 1188 . 1 1 114 114 LYS HG2 H 1 1.483 0.035 . 2 . . . . . . . . 6570 1 1189 . 1 1 114 114 LYS HG3 H 1 1.328 0.034 . 2 . . . . . . . . 6570 1 1190 . 1 1 114 114 LYS CD C 13 26.786 0.300 . 1 . . . . . . . . 6570 1 1191 . 1 1 114 114 LYS HD2 H 1 1.619 0.031 . 1 . . . . . . . . 6570 1 1192 . 1 1 114 114 LYS CE C 13 38.921 0.300 . 1 . . . . . . . . 6570 1 1193 . 1 1 114 114 LYS HE2 H 1 2.880 0.033 . 1 . . . . . . . . 6570 1 1194 . 1 1 115 115 LEU H H 1 8.197 0.030 . 1 . . . . . . . . 6570 1 1195 . 1 1 115 115 LEU N N 15 121.315 0.100 . 1 . . . . . . . . 6570 1 1196 . 1 1 115 115 LEU CA C 13 55.371 0.300 . 1 . . . . . . . . 6570 1 1197 . 1 1 115 115 LEU HA H 1 4.009 0.037 . 1 . . . . . . . . 6570 1 1198 . 1 1 115 115 LEU C C 13 176.197 0.300 . 1 . . . . . . . . 6570 1 1199 . 1 1 115 115 LEU CB C 13 38.921 0.300 . 1 . . . . . . . . 6570 1 1200 . 1 1 115 115 LEU HB2 H 1 1.758 0.036 . 2 . . . . . . . . 6570 1 1201 . 1 1 115 115 LEU HB3 H 1 1.586 0.032 . 2 . . . . . . . . 6570 1 1202 . 1 1 115 115 LEU CG C 13 24.359 0.300 . 1 . . . . . . . . 6570 1 1203 . 1 1 115 115 LEU CD1 C 13 22.472 0.300 . 1 . . . . . . . . 6570 1 1204 . 1 1 115 115 LEU HD11 H 1 0.762 0.034 . 2 . . . . . . . . 6570 1 1205 . 1 1 115 115 LEU HD12 H 1 0.762 0.034 . 2 . . . . . . . . 6570 1 1206 . 1 1 115 115 LEU HD13 H 1 0.762 0.034 . 2 . . . . . . . . 6570 1 1207 . 1 1 115 115 LEU CD2 C 13 23.281 0.300 . 1 . . . . . . . . 6570 1 1208 . 1 1 115 115 LEU HD21 H 1 0.671 0.037 . 2 . . . . . . . . 6570 1 1209 . 1 1 115 115 LEU HD22 H 1 0.671 0.037 . 2 . . . . . . . . 6570 1 1210 . 1 1 115 115 LEU HD23 H 1 0.671 0.037 . 2 . . . . . . . . 6570 1 1211 . 1 1 115 115 LEU HG H 1 1.466 0.033 . 1 . . . . . . . . 6570 1 1212 . 1 1 116 116 LEU H H 1 8.542 0.030 . 1 . . . . . . . . 6570 1 1213 . 1 1 116 116 LEU N N 15 119.289 0.100 . 1 . . . . . . . . 6570 1 1214 . 1 1 116 116 LEU CA C 13 55.182 0.300 . 1 . . . . . . . . 6570 1 1215 . 1 1 116 116 LEU HA H 1 3.872 0.036 . 1 . . . . . . . . 6570 1 1216 . 1 1 116 116 LEU C C 13 176.581 0.300 . 1 . . . . . . . . 6570 1 1217 . 1 1 116 116 LEU CB C 13 38.921 0.300 . 1 . . . . . . . . 6570 1 1218 . 1 1 116 116 LEU HB2 H 1 1.723 0.031 . 2 . . . . . . . . 6570 1 1219 . 1 1 116 116 LEU HB3 H 1 1.624 0.037 . 2 . . . . . . . . 6570 1 1220 . 1 1 116 116 LEU CG C 13 24.629 0.300 . 1 . . . . . . . . 6570 1 1221 . 1 1 116 116 LEU CD1 C 13 21.932 0.300 . 1 . . . . . . . . 6570 1 1222 . 1 1 116 116 LEU HD11 H 1 0.870 0.035 . 2 . . . . . . . . 6570 1 1223 . 1 1 116 116 LEU HD12 H 1 0.870 0.035 . 2 . . . . . . . . 6570 1 1224 . 1 1 116 116 LEU HD13 H 1 0.870 0.035 . 2 . . . . . . . . 6570 1 1225 . 1 1 116 116 LEU CD2 C 13 22.741 0.300 . 1 . . . . . . . . 6570 1 1226 . 1 1 116 116 LEU HD21 H 1 0.606 0.032 . 2 . . . . . . . . 6570 1 1227 . 1 1 116 116 LEU HD22 H 1 0.606 0.032 . 2 . . . . . . . . 6570 1 1228 . 1 1 116 116 LEU HD23 H 1 0.606 0.032 . 2 . . . . . . . . 6570 1 1229 . 1 1 116 116 LEU HG H 1 1.561 0.034 . 1 . . . . . . . . 6570 1 1230 . 1 1 117 117 SER H H 1 7.881 0.030 . 1 . . . . . . . . 6570 1 1231 . 1 1 117 117 SER N N 15 115.528 0.100 . 1 . . . . . . . . 6570 1 1232 . 1 1 117 117 SER CA C 13 58.385 0.300 . 1 . . . . . . . . 6570 1 1233 . 1 1 117 117 SER HA H 1 4.211 0.030 . 1 . . . . . . . . 6570 1 1234 . 1 1 117 117 SER C C 13 174.994 0.300 . 1 . . . . . . . . 6570 1 1235 . 1 1 117 117 SER CB C 13 59.686 0.300 . 1 . . . . . . . . 6570 1 1236 . 1 1 117 117 SER HB2 H 1 3.949 0.032 . 1 . . . . . . . . 6570 1 1237 . 1 1 118 118 SER H H 1 8.002 0.030 . 1 . . . . . . . . 6570 1 1238 . 1 1 118 118 SER N N 15 119.579 0.100 . 1 . . . . . . . . 6570 1 1239 . 1 1 118 118 SER CA C 13 59.955 0.300 . 1 . . . . . . . . 6570 1 1240 . 1 1 118 118 SER HA H 1 4.346 0.033 . 1 . . . . . . . . 6570 1 1241 . 1 1 118 118 SER C C 13 172.096 0.300 . 1 . . . . . . . . 6570 1 1242 . 1 1 118 118 SER CB C 13 61.034 0.300 . 1 . . . . . . . . 6570 1 1243 . 1 1 118 118 SER HB2 H 1 4.019 0.034 . 2 . . . . . . . . 6570 1 1244 . 1 1 118 118 SER HB3 H 1 3.743 0.032 . 2 . . . . . . . . 6570 1 1245 . 1 1 119 119 VAL H H 1 8.111 0.030 . 1 . . . . . . . . 6570 1 1246 . 1 1 119 119 VAL N N 15 122.280 0.100 . 1 . . . . . . . . 6570 1 1247 . 1 1 119 119 VAL CA C 13 64.539 0.300 . 1 . . . . . . . . 6570 1 1248 . 1 1 119 119 VAL HA H 1 3.358 0.030 . 1 . . . . . . . . 6570 1 1249 . 1 1 119 119 VAL C C 13 174.575 0.300 . 1 . . . . . . . . 6570 1 1250 . 1 1 119 119 VAL CB C 13 28.404 0.300 . 1 . . . . . . . . 6570 1 1251 . 1 1 119 119 VAL HB H 1 2.182 0.033 . 1 . . . . . . . . 6570 1 1252 . 1 1 119 119 VAL CG1 C 13 21.393 0.300 . 1 . . . . . . . . 6570 1 1253 . 1 1 119 119 VAL HG11 H 1 0.903 0.030 . 2 . . . . . . . . 6570 1 1254 . 1 1 119 119 VAL HG12 H 1 0.903 0.030 . 2 . . . . . . . . 6570 1 1255 . 1 1 119 119 VAL HG13 H 1 0.903 0.030 . 2 . . . . . . . . 6570 1 1256 . 1 1 119 119 VAL CG2 C 13 19.775 0.300 . 1 . . . . . . . . 6570 1 1257 . 1 1 119 119 VAL HG21 H 1 0.874 0.030 . 2 . . . . . . . . 6570 1 1258 . 1 1 119 119 VAL HG22 H 1 0.874 0.030 . 2 . . . . . . . . 6570 1 1259 . 1 1 119 119 VAL HG23 H 1 0.874 0.030 . 2 . . . . . . . . 6570 1 1260 . 1 1 120 120 LYS H H 1 7.851 0.030 . 1 . . . . . . . . 6570 1 1261 . 1 1 120 120 LYS N N 15 121.026 0.100 . 1 . . . . . . . . 6570 1 1262 . 1 1 120 120 LYS CA C 13 56.180 0.300 . 1 . . . . . . . . 6570 1 1263 . 1 1 120 120 LYS HA H 1 3.944 0.030 . 1 . . . . . . . . 6570 1 1264 . 1 1 120 120 LYS C C 13 175.231 0.300 . 1 . . . . . . . . 6570 1 1265 . 1 1 120 120 LYS CB C 13 29.252 0.394 . 1 . . . . . . . . 6570 1 1266 . 1 1 120 120 LYS HB2 H 1 1.889 0.030 . 2 . . . . . . . . 6570 1 1267 . 1 1 120 120 LYS HB3 H 1 1.850 0.030 . 2 . . . . . . . . 6570 1 1268 . 1 1 120 120 LYS CG C 13 22.202 0.300 . 1 . . . . . . . . 6570 1 1269 . 1 1 120 120 LYS HG2 H 1 1.407 0.030 . 1 . . . . . . . . 6570 1 1270 . 1 1 120 120 LYS CD C 13 26.517 0.300 . 1 . . . . . . . . 6570 1 1271 . 1 1 120 120 LYS HD2 H 1 1.637 0.037 . 1 . . . . . . . . 6570 1 1272 . 1 1 120 120 LYS CE C 13 38.921 0.300 . 1 . . . . . . . . 6570 1 1273 . 1 1 120 120 LYS HE2 H 1 2.870 0.030 . 1 . . . . . . . . 6570 1 1274 . 1 1 121 121 GLU H H 1 7.819 0.030 . 1 . . . . . . . . 6570 1 1275 . 1 1 121 121 GLU N N 15 119.579 0.100 . 1 . . . . . . . . 6570 1 1276 . 1 1 121 121 GLU CA C 13 56.990 0.300 . 1 . . . . . . . . 6570 1 1277 . 1 1 121 121 GLU HA H 1 4.049 0.030 . 1 . . . . . . . . 6570 1 1278 . 1 1 121 121 GLU C C 13 176.494 0.300 . 1 . . . . . . . . 6570 1 1279 . 1 1 121 121 GLU CB C 13 27.360 0.300 . 1 . . . . . . . . 6570 1 1280 . 1 1 121 121 GLU HB2 H 1 2.121 0.036 . 1 . . . . . . . . 6570 1 1281 . 1 1 121 121 GLU CG C 13 33.798 0.300 . 1 . . . . . . . . 6570 1 1282 . 1 1 121 121 GLU HG2 H 1 2.352 0.030 . 1 . . . . . . . . 6570 1 1283 . 1 1 122 122 ILE H H 1 8.052 0.030 . 1 . . . . . . . . 6570 1 1284 . 1 1 122 122 ILE N N 15 118.518 0.100 . 1 . . . . . . . . 6570 1 1285 . 1 1 122 122 ILE CA C 13 63.237 0.300 . 1 . . . . . . . . 6570 1 1286 . 1 1 122 122 ILE HA H 1 3.480 0.030 . 1 . . . . . . . . 6570 1 1287 . 1 1 122 122 ILE C C 13 174.448 0.300 . 1 . . . . . . . . 6570 1 1288 . 1 1 122 122 ILE CB C 13 35.416 0.300 . 1 . . . . . . . . 6570 1 1289 . 1 1 122 122 ILE HB H 1 1.942 0.034 . 1 . . . . . . . . 6570 1 1290 . 1 1 122 122 ILE CG2 C 13 15.461 0.300 . 1 . . . . . . . . 6570 1 1291 . 1 1 122 122 ILE HG21 H 1 1.333 0.030 . 1 . . . . . . . . 6570 1 1292 . 1 1 122 122 ILE HG22 H 1 1.333 0.030 . 1 . . . . . . . . 6570 1 1293 . 1 1 122 122 ILE HG23 H 1 1.333 0.030 . 1 . . . . . . . . 6570 1 1294 . 1 1 122 122 ILE CG1 C 13 28.135 0.300 . 1 . . . . . . . . 6570 1 1295 . 1 1 122 122 ILE HG12 H 1 1.774 0.030 . 2 . . . . . . . . 6570 1 1296 . 1 1 122 122 ILE HG13 H 1 0.778 0.038 . 2 . . . . . . . . 6570 1 1297 . 1 1 122 122 ILE CD1 C 13 12.225 0.300 . 1 . . . . . . . . 6570 1 1298 . 1 1 122 122 ILE HD11 H 1 0.702 0.034 . 1 . . . . . . . . 6570 1 1299 . 1 1 122 122 ILE HD12 H 1 0.702 0.034 . 1 . . . . . . . . 6570 1 1300 . 1 1 122 122 ILE HD13 H 1 0.702 0.034 . 1 . . . . . . . . 6570 1 1301 . 1 1 123 123 SER H H 1 8.347 0.030 . 1 . . . . . . . . 6570 1 1302 . 1 1 123 123 SER N N 15 113.791 0.100 . 1 . . . . . . . . 6570 1 1303 . 1 1 123 123 SER CA C 13 59.028 0.300 . 1 . . . . . . . . 6570 1 1304 . 1 1 123 123 SER HA H 1 3.848 0.035 . 1 . . . . . . . . 6570 1 1305 . 1 1 123 123 SER C C 13 173.390 0.300 . 1 . . . . . . . . 6570 1 1306 . 1 1 123 123 SER CB C 13 59.776 0.300 . 1 . . . . . . . . 6570 1 1307 . 1 1 123 123 SER HB2 H 1 3.841 0.033 . 1 . . . . . . . . 6570 1 1308 . 1 1 124 124 ASP H H 1 8.314 0.030 . 1 . . . . . . . . 6570 1 1309 . 1 1 124 124 ASP N N 15 119.965 0.100 . 1 . . . . . . . . 6570 1 1310 . 1 1 124 124 ASP CA C 13 54.562 0.300 . 1 . . . . . . . . 6570 1 1311 . 1 1 124 124 ASP HA H 1 4.255 0.035 . 1 . . . . . . . . 6570 1 1312 . 1 1 124 124 ASP C C 13 176.376 0.300 . 1 . . . . . . . . 6570 1 1313 . 1 1 124 124 ASP CB C 13 37.999 0.300 . 1 . . . . . . . . 6570 1 1314 . 1 1 124 124 ASP HB2 H 1 2.811 0.030 . 2 . . . . . . . . 6570 1 1315 . 1 1 124 124 ASP HB3 H 1 2.575 0.035 . 2 . . . . . . . . 6570 1 1316 . 1 1 125 125 ILE H H 1 7.837 0.030 . 1 . . . . . . . . 6570 1 1317 . 1 1 125 125 ILE N N 15 118.421 0.100 . 1 . . . . . . . . 6570 1 1318 . 1 1 125 125 ILE CA C 13 62.731 0.300 . 1 . . . . . . . . 6570 1 1319 . 1 1 125 125 ILE HA H 1 3.556 0.031 . 1 . . . . . . . . 6570 1 1320 . 1 1 125 125 ILE C C 13 175.916 0.300 . 1 . . . . . . . . 6570 1 1321 . 1 1 125 125 ILE CB C 13 35.955 0.300 . 1 . . . . . . . . 6570 1 1322 . 1 1 125 125 ILE HB H 1 1.855 0.035 . 1 . . . . . . . . 6570 1 1323 . 1 1 125 125 ILE CG2 C 13 14.921 0.300 . 1 . . . . . . . . 6570 1 1324 . 1 1 125 125 ILE HG21 H 1 0.862 0.030 . 1 . . . . . . . . 6570 1 1325 . 1 1 125 125 ILE HG22 H 1 0.862 0.030 . 1 . . . . . . . . 6570 1 1326 . 1 1 125 125 ILE HG23 H 1 0.862 0.030 . 1 . . . . . . . . 6570 1 1327 . 1 1 125 125 ILE CG1 C 13 26.517 0.300 . 1 . . . . . . . . 6570 1 1328 . 1 1 125 125 ILE HG12 H 1 1.972 0.038 . 2 . . . . . . . . 6570 1 1329 . 1 1 125 125 ILE HG13 H 1 0.912 0.034 . 2 . . . . . . . . 6570 1 1330 . 1 1 125 125 ILE CD1 C 13 12.494 0.300 . 1 . . . . . . . . 6570 1 1331 . 1 1 125 125 ILE HD11 H 1 0.818 0.033 . 1 . . . . . . . . 6570 1 1332 . 1 1 125 125 ILE HD12 H 1 0.818 0.033 . 1 . . . . . . . . 6570 1 1333 . 1 1 125 125 ILE HD13 H 1 0.818 0.033 . 1 . . . . . . . . 6570 1 1334 . 1 1 126 126 VAL H H 1 8.322 0.030 . 1 . . . . . . . . 6570 1 1335 . 1 1 126 126 VAL N N 15 117.245 0.100 . 1 . . . . . . . . 6570 1 1336 . 1 1 126 126 VAL CA C 13 63.009 0.300 . 1 . . . . . . . . 6570 1 1337 . 1 1 126 126 VAL HA H 1 3.547 0.033 . 1 . . . . . . . . 6570 1 1338 . 1 1 126 126 VAL C C 13 175.104 0.300 . 1 . . . . . . . . 6570 1 1339 . 1 1 126 126 VAL CB C 13 28.686 0.300 . 1 . . . . . . . . 6570 1 1340 . 1 1 126 126 VAL HB H 1 2.040 0.031 . 1 . . . . . . . . 6570 1 1341 . 1 1 126 126 VAL CG1 C 13 21.124 0.300 . 1 . . . . . . . . 6570 1 1342 . 1 1 126 126 VAL HG11 H 1 0.880 0.036 . 2 . . . . . . . . 6570 1 1343 . 1 1 126 126 VAL HG12 H 1 0.880 0.036 . 2 . . . . . . . . 6570 1 1344 . 1 1 126 126 VAL HG13 H 1 0.880 0.036 . 2 . . . . . . . . 6570 1 1345 . 1 1 126 126 VAL CG2 C 13 19.955 0.300 . 1 . . . . . . . . 6570 1 1346 . 1 1 126 126 VAL HG21 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 1347 . 1 1 126 126 VAL HG22 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 1348 . 1 1 126 126 VAL HG23 H 1 0.749 0.031 . 2 . . . . . . . . 6570 1 1349 . 1 1 127 127 GLN H H 1 7.910 0.030 . 1 . . . . . . . . 6570 1 1350 . 1 1 127 127 GLN N N 15 116.106 0.100 . 1 . . . . . . . . 6570 1 1351 . 1 1 127 127 GLN CA C 13 55.305 0.300 . 1 . . . . . . . . 6570 1 1352 . 1 1 127 127 GLN HA H 1 4.045 0.030 . 1 . . . . . . . . 6570 1 1353 . 1 1 127 127 GLN C C 13 174.036 0.300 . 1 . . . . . . . . 6570 1 1354 . 1 1 127 127 GLN CB C 13 26.825 0.300 . 1 . . . . . . . . 6570 1 1355 . 1 1 127 127 GLN HB2 H 1 2.132 0.031 . 2 . . . . . . . . 6570 1 1356 . 1 1 127 127 GLN HB3 H 1 2.053 0.033 . 2 . . . . . . . . 6570 1 1357 . 1 1 127 127 GLN CG C 13 32.336 0.300 . 1 . . . . . . . . 6570 1 1358 . 1 1 127 127 GLN HG2 H 1 2.572 0.031 . 2 . . . . . . . . 6570 1 1359 . 1 1 127 127 GLN HG3 H 1 2.253 0.032 . 2 . . . . . . . . 6570 1 1360 . 1 1 127 127 GLN NE2 N 15 112.151 0.100 . 1 . . . . . . . . 6570 1 1361 . 1 1 127 127 GLN HE21 H 1 7.067 0.030 . 1 . . . . . . . . 6570 1 1362 . 1 1 127 127 GLN HE22 H 1 6.751 0.030 . 1 . . . . . . . . 6570 1 1363 . 1 1 128 128 ARG H H 1 7.339 0.030 . 1 . . . . . . . . 6570 1 1364 . 1 1 128 128 ARG N N 15 117.071 0.100 . 1 . . . . . . . . 6570 1 1365 . 1 1 128 128 ARG CA C 13 53.783 0.300 . 1 . . . . . . . . 6570 1 1366 . 1 1 128 128 ARG HA H 1 4.272 0.030 . 1 . . . . . . . . 6570 1 1367 . 1 1 128 128 ARG C C 13 173.926 0.300 . 1 . . . . . . . . 6570 1 1368 . 1 1 128 128 ARG CB C 13 28.135 0.300 . 1 . . . . . . . . 6570 1 1369 . 1 1 128 128 ARG HB2 H 1 1.795 0.030 . 1 . . . . . . . . 6570 1 1370 . 1 1 128 128 ARG CG C 13 24.899 0.300 . 1 . . . . . . . . 6570 1 1371 . 1 1 128 128 ARG HG2 H 1 1.743 0.034 . 1 . . . . . . . . 6570 1 1372 . 1 1 128 128 ARG CD C 13 41.079 0.300 . 1 . . . . . . . . 6570 1 1373 . 1 1 128 128 ARG HD2 H 1 3.026 0.035 . 1 . . . . . . . . 6570 1 1374 . 1 1 128 128 ARG NE N 15 109.933 0.100 . 1 . . . . . . . . 6570 1 1375 . 1 1 128 128 ARG HE H 1 7.080 0.030 . 1 . . . . . . . . 6570 1 1376 . 1 1 129 129 LEU H H 1 7.652 0.030 . 1 . . . . . . . . 6570 1 1377 . 1 1 129 129 LEU N N 15 121.990 0.100 . 1 . . . . . . . . 6570 1 1378 . 1 1 129 129 LEU CA C 13 52.385 0.300 . 1 . . . . . . . . 6570 1 1379 . 1 1 129 129 LEU HA H 1 4.257 0.036 . 1 . . . . . . . . 6570 1 1380 . 1 1 129 129 LEU C C 13 173.569 0.300 . 1 . . . . . . . . 6570 1 1381 . 1 1 129 129 LEU CB C 13 39.347 0.300 . 1 . . . . . . . . 6570 1 1382 . 1 1 129 129 LEU HB2 H 1 1.789 0.030 . 2 . . . . . . . . 6570 1 1383 . 1 1 129 129 LEU HB3 H 1 1.559 0.030 . 2 . . . . . . . . 6570 1 1384 . 1 1 129 129 LEU CG C 13 23.281 0.300 . 1 . . . . . . . . 6570 1 1385 . 1 1 129 129 LEU CD1 C 13 23.281 0.300 . 1 . . . . . . . . 6570 1 1386 . 1 1 129 129 LEU HD11 H 1 0.818 0.032 . 2 . . . . . . . . 6570 1 1387 . 1 1 129 129 LEU HD12 H 1 0.818 0.032 . 2 . . . . . . . . 6570 1 1388 . 1 1 129 129 LEU HD13 H 1 0.818 0.032 . 2 . . . . . . . . 6570 1 1389 . 1 1 129 129 LEU CD2 C 13 20.315 0.300 . 1 . . . . . . . . 6570 1 1390 . 1 1 129 129 LEU HD21 H 1 0.754 0.034 . 2 . . . . . . . . 6570 1 1391 . 1 1 129 129 LEU HD22 H 1 0.754 0.034 . 2 . . . . . . . . 6570 1 1392 . 1 1 129 129 LEU HD23 H 1 0.754 0.034 . 2 . . . . . . . . 6570 1 1393 . 1 1 129 129 LEU HG H 1 1.969 0.030 . 1 . . . . . . . . 6570 1 1394 . 1 1 130 130 GLU H H 1 7.895 0.030 . 1 . . . . . . . . 6570 1 1395 . 1 1 130 130 GLU N N 15 125.656 0.100 . 1 . . . . . . . . 6570 1 1396 . 1 1 130 130 GLU CA C 13 55.391 0.300 . 1 . . . . . . . . 6570 1 1397 . 1 1 130 130 GLU HA H 1 4.002 0.030 . 1 . . . . . . . . 6570 1 1398 . 1 1 130 130 GLU HB2 H 1 1.530 0.030 . 1 . . . . . . . . 6570 1 1399 . 1 1 130 130 GLU HG2 H 1 2.099 0.030 . 1 . . . . . . . . 6570 1 stop_ save_