data_7377 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7377 _Entry.Title ; Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-16 _Entry.Accession_date 2007-03-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Alphonse Arunkumar . I. . 7377 2 Mario Pennella . A. . 7377 3 Xiangming Kong . . . 7377 4 Giedroc David . P. . 7377 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Giedroc Lab, Texas A&M University' . 7377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 7377 '15N chemical shifts' 114 7377 '1H chemical shifts' 271 7377 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 3 . . 2010-07-15 2007-03-15 update BMRB 'update DNA residue label to two-letter code' 7377 2 . . 2009-08-31 2007-03-15 update BMRB 'complete entry citation' 7377 1 . . 2007-08-23 2007-03-15 original author 'original release' 7377 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15177 'CzrA in apo form' 7377 BMRB 7376 'CzrA in complex with Zinc ion' 7377 PDB 1R1U . 7377 PDB 1R1V . 7377 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7377 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636838 _Citation.Full_citation . _Citation.Title 'Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 99 _Citation.Page_last 101 _Citation.Year 2007 _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 Alphonse Arunkumar . I. . 7377 1 2 Mario Pennella . A. . 7377 1 3 Xiangming Kong . . . 7377 1 4 David Giedroc . P. . 7377 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7377 _Assembly.ID 1 _Assembly.Name CzrA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 42000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Homodimeric CzrA binds to 28 mer operator/promoter DNA.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 czra1 1 $CzrA_Chain A . yes native yes no . . . 7377 1 2 czra2 1 $CzrA_Chain A . yes native yes no . . . 7377 1 3 DNA1 2 $DNA A . no native no no . . . 7377 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 7377 1 'transcriptional repressor' 7377 1 'zinc homeostasis' 7377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CzrA_Chain _Entity.Sf_category entity _Entity.Sf_framecode CzrA_Chain _Entity.Entry_ID 7377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CzrA_Chain _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 ; MAEQYSEINTDTLERVTEIF KALGDYNRIRIMELLSVSEA SVGHISHQLNLSQSNVSHQL KLLKSVHLVKAKRQGQSMIY SLDDIHVATMLKQAIHHANH PKESGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11988.69 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15177 . CzrA_Chain . . . . . 100.00 106 100.00 100.00 4.69e-69 . . . . 7377 1 2 no BMRB 7376 . CzrA_Chain . . . . . 100.00 106 100.00 100.00 4.69e-69 . . . . 7377 1 3 no PDB 1R1U . "Crystal Structure Of The Metal-Sensing Transcriptional Repressor Czra From Staphylococcus Aureus In The Apo-Form" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 4 no PDB 1R1V . "Crystal Structure Of The Metal-Sensing Transcriptional Repressor Czra From Staphylococcus Aureus In The Zn2-Form" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 5 no PDB 2KJB . "Solution Structure Of Czra In The Dna Bound State" . . . . . 100.00 106 100.00 100.00 4.69e-69 . . . . 7377 1 6 no PDB 2KJC . "Solution Structure Of Czra In The Zn(Ii) State" . . . . . 100.00 106 100.00 100.00 4.69e-69 . . . . 7377 1 7 no PDB 2M30 . "Solution Nmr Refinement Of A Metal Ion Bound Protein Using Quantum Mechanical/molecular Mechanical And Molecular Dynamics Metho" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 8 no PDB 4GGG . "Crystal Structure Of V66a/l68v Czra In The Zn(ii)bound State" . . . . . 99.06 105 98.10 99.05 3.38e-67 . . . . 7377 1 9 no DBJ BAA36687 . "CzrA [Staphylococcus aureus]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 10 no DBJ BAB43231 . "repressor protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 11 no DBJ BAB58307 . "repressor protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 12 no DBJ BAB95934 . "repressor protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 13 no DBJ BAF68321 . "zinc and cobalt transport repressor protein [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 14 no EMBL CAG41214 . "zinc and cobalt transport repressor protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 15 no EMBL CAG43856 . "zinc and cobalt transport repressor protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 16 no EMBL CAI81718 . "zinc and cobalt transport repressor protein [Staphylococcus aureus RF122]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 17 no EMBL CAQ50573 . "repressor protein [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 18 no EMBL CBI50151 . "zinc and cobalt transport repressor protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 19 no GB AAC32484 . "repressor protein [Staphylococcus aureus]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 20 no GB AAW38447 . "transcriptional regulator CzrA [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 21 no GB ABD21735 . "transcriptional repressor, ArsR family [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 22 no GB ABD31419 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 23 no GB ABQ49963 . "transcriptional regulator, ArsR family [Staphylococcus aureus subsp. aureus JH9]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 24 no REF NP_372669 . "repressor protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 25 no REF NP_375252 . "repressor protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 26 no REF NP_646886 . "repressor protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 106 99.06 100.00 1.29e-68 . . . . 7377 1 27 no REF WP_000003755 . "ArsR family transcriptional regulator [Staphylococcus aureus]" . . . . . 100.00 106 98.11 100.00 1.70e-67 . . . . 7377 1 28 no REF WP_000003756 . "ArsR family transcriptional regulator [Staphylococcus aureus]" . . . . . 100.00 106 97.17 99.06 7.99e-67 . . . . 7377 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcriptional repressor' 7377 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7377 1 2 . ALA . 7377 1 3 . GLU . 7377 1 4 . GLN . 7377 1 5 . TYR . 7377 1 6 . SER . 7377 1 7 . GLU . 7377 1 8 . ILE . 7377 1 9 . ASN . 7377 1 10 . THR . 7377 1 11 . ASP . 7377 1 12 . THR . 7377 1 13 . LEU . 7377 1 14 . GLU . 7377 1 15 . ARG . 7377 1 16 . VAL . 7377 1 17 . THR . 7377 1 18 . GLU . 7377 1 19 . ILE . 7377 1 20 . PHE . 7377 1 21 . LYS . 7377 1 22 . ALA . 7377 1 23 . LEU . 7377 1 24 . GLY . 7377 1 25 . ASP . 7377 1 26 . TYR . 7377 1 27 . ASN . 7377 1 28 . ARG . 7377 1 29 . ILE . 7377 1 30 . ARG . 7377 1 31 . ILE . 7377 1 32 . MET . 7377 1 33 . GLU . 7377 1 34 . LEU . 7377 1 35 . LEU . 7377 1 36 . SER . 7377 1 37 . VAL . 7377 1 38 . SER . 7377 1 39 . GLU . 7377 1 40 . ALA . 7377 1 41 . SER . 7377 1 42 . VAL . 7377 1 43 . GLY . 7377 1 44 . HIS . 7377 1 45 . ILE . 7377 1 46 . SER . 7377 1 47 . HIS . 7377 1 48 . GLN . 7377 1 49 . LEU . 7377 1 50 . ASN . 7377 1 51 . LEU . 7377 1 52 . SER . 7377 1 53 . GLN . 7377 1 54 . SER . 7377 1 55 . ASN . 7377 1 56 . VAL . 7377 1 57 . SER . 7377 1 58 . HIS . 7377 1 59 . GLN . 7377 1 60 . LEU . 7377 1 61 . LYS . 7377 1 62 . LEU . 7377 1 63 . LEU . 7377 1 64 . LYS . 7377 1 65 . SER . 7377 1 66 . VAL . 7377 1 67 . HIS . 7377 1 68 . LEU . 7377 1 69 . VAL . 7377 1 70 . LYS . 7377 1 71 . ALA . 7377 1 72 . LYS . 7377 1 73 . ARG . 7377 1 74 . GLN . 7377 1 75 . GLY . 7377 1 76 . GLN . 7377 1 77 . SER . 7377 1 78 . MET . 7377 1 79 . ILE . 7377 1 80 . TYR . 7377 1 81 . SER . 7377 1 82 . LEU . 7377 1 83 . ASP . 7377 1 84 . ASP . 7377 1 85 . ILE . 7377 1 86 . HIS . 7377 1 87 . VAL . 7377 1 88 . ALA . 7377 1 89 . THR . 7377 1 90 . MET . 7377 1 91 . LEU . 7377 1 92 . LYS . 7377 1 93 . GLN . 7377 1 94 . ALA . 7377 1 95 . ILE . 7377 1 96 . HIS . 7377 1 97 . HIS . 7377 1 98 . ALA . 7377 1 99 . ASN . 7377 1 100 . HIS . 7377 1 101 . PRO . 7377 1 102 . LYS . 7377 1 103 . GLU . 7377 1 104 . SER . 7377 1 105 . GLY . 7377 1 106 . LEU . 7377 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7377 1 . ALA 2 2 7377 1 . GLU 3 3 7377 1 . GLN 4 4 7377 1 . TYR 5 5 7377 1 . SER 6 6 7377 1 . GLU 7 7 7377 1 . ILE 8 8 7377 1 . ASN 9 9 7377 1 . THR 10 10 7377 1 . ASP 11 11 7377 1 . THR 12 12 7377 1 . LEU 13 13 7377 1 . GLU 14 14 7377 1 . ARG 15 15 7377 1 . VAL 16 16 7377 1 . THR 17 17 7377 1 . GLU 18 18 7377 1 . ILE 19 19 7377 1 . PHE 20 20 7377 1 . LYS 21 21 7377 1 . ALA 22 22 7377 1 . LEU 23 23 7377 1 . GLY 24 24 7377 1 . ASP 25 25 7377 1 . TYR 26 26 7377 1 . ASN 27 27 7377 1 . ARG 28 28 7377 1 . ILE 29 29 7377 1 . ARG 30 30 7377 1 . ILE 31 31 7377 1 . MET 32 32 7377 1 . GLU 33 33 7377 1 . LEU 34 34 7377 1 . LEU 35 35 7377 1 . SER 36 36 7377 1 . VAL 37 37 7377 1 . SER 38 38 7377 1 . GLU 39 39 7377 1 . ALA 40 40 7377 1 . SER 41 41 7377 1 . VAL 42 42 7377 1 . GLY 43 43 7377 1 . HIS 44 44 7377 1 . ILE 45 45 7377 1 . SER 46 46 7377 1 . HIS 47 47 7377 1 . GLN 48 48 7377 1 . LEU 49 49 7377 1 . ASN 50 50 7377 1 . LEU 51 51 7377 1 . SER 52 52 7377 1 . GLN 53 53 7377 1 . SER 54 54 7377 1 . ASN 55 55 7377 1 . VAL 56 56 7377 1 . SER 57 57 7377 1 . HIS 58 58 7377 1 . GLN 59 59 7377 1 . LEU 60 60 7377 1 . LYS 61 61 7377 1 . LEU 62 62 7377 1 . LEU 63 63 7377 1 . LYS 64 64 7377 1 . SER 65 65 7377 1 . VAL 66 66 7377 1 . HIS 67 67 7377 1 . LEU 68 68 7377 1 . VAL 69 69 7377 1 . LYS 70 70 7377 1 . ALA 71 71 7377 1 . LYS 72 72 7377 1 . ARG 73 73 7377 1 . GLN 74 74 7377 1 . GLY 75 75 7377 1 . GLN 76 76 7377 1 . SER 77 77 7377 1 . MET 78 78 7377 1 . ILE 79 79 7377 1 . TYR 80 80 7377 1 . SER 81 81 7377 1 . LEU 82 82 7377 1 . ASP 83 83 7377 1 . ASP 84 84 7377 1 . ILE 85 85 7377 1 . HIS 86 86 7377 1 . VAL 87 87 7377 1 . ALA 88 88 7377 1 . THR 89 89 7377 1 . MET 90 90 7377 1 . LEU 91 91 7377 1 . LYS 92 92 7377 1 . GLN 93 93 7377 1 . ALA 94 94 7377 1 . ILE 95 95 7377 1 . HIS 96 96 7377 1 . HIS 97 97 7377 1 . ALA 98 98 7377 1 . ASN 99 99 7377 1 . HIS 100 100 7377 1 . PRO 101 101 7377 1 . LYS 102 102 7377 1 . GLU 103 103 7377 1 . SER 104 104 7377 1 . GLY 105 105 7377 1 . LEU 106 106 7377 1 stop_ save_ save_DNA _Entity.Sf_category entity _Entity.Sf_framecode DNA _Entity.Entry_ID 7377 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAACATATGAACATATGTTC ATATGTTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID opertor/promoter 7377 2 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 . DT . 7377 2 2 . DA . 7377 2 3 . DA . 7377 2 4 . DC . 7377 2 5 . DA . 7377 2 6 . DT . 7377 2 7 . DA . 7377 2 8 . DT . 7377 2 9 . DG . 7377 2 10 . DA . 7377 2 11 . DA . 7377 2 12 . DC . 7377 2 13 . DA . 7377 2 14 . DT . 7377 2 15 . DA . 7377 2 16 . DT . 7377 2 17 . DG . 7377 2 18 . DT . 7377 2 19 . DT . 7377 2 20 . DC . 7377 2 21 . DA . 7377 2 22 . DT . 7377 2 23 . DA . 7377 2 24 . DT . 7377 2 25 . DG . 7377 2 26 . DT . 7377 2 27 . DT . 7377 2 28 . DA . 7377 2 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 . DT 1 1 7377 2 . DA 2 2 7377 2 . DA 3 3 7377 2 . DC 4 4 7377 2 . DA 5 5 7377 2 . DT 6 6 7377 2 . DA 7 7 7377 2 . DT 8 8 7377 2 . DG 9 9 7377 2 . DA 10 10 7377 2 . DA 11 11 7377 2 . DC 12 12 7377 2 . DA 13 13 7377 2 . DT 14 14 7377 2 . DA 15 15 7377 2 . DT 16 16 7377 2 . DG 17 17 7377 2 . DT 18 18 7377 2 . DT 19 19 7377 2 . DC 20 20 7377 2 . DA 21 21 7377 2 . DT 22 22 7377 2 . DA 23 23 7377 2 . DT 24 24 7377 2 . DG 25 25 7377 2 . DT 26 26 7377 2 . DT 27 27 7377 2 . DA 28 28 7377 2 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 7377 _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 $CzrA_Chain . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus 912 . . . . . . . . . . . . . . . . . . . . 7377 1 2 2 $DNA . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus 912 . . . . . . . . . . . . . . . . . . . . 7377 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 7377 _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 $CzrA_Chain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pET 3d' . . . . . . 7377 1 2 2 $DNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DNACzrA_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode DNACzrA_sample_1 _Sample.Entry_ID 7377 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _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 CzrA '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $CzrA_Chain . . 1 . . mM 0.1 . . . 7377 1 2 DNA 'natural abundance' . . 2 $DNA . . . 1 1.5 mM . . . . 7377 1 3 MES '[U-100% 2H]' . . . . . . 10 . . mM 0.5 . . . 7377 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 7377 1 stop_ save_ save_DNACzrA_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode DNACzrA_sample_2 _Sample.Entry_ID 7377 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _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 CzrA '[U-10% 13C]' . . 1 $CzrA_Chain . . 1 . . mM 0.1 . . . 7377 2 2 DNA 'natural abundance' . . 2 $DNA . . . 1 1.5 mM . . . . 7377 2 3 MES '[U-100% 2H]' . . . . . . 10 . . mM 0.5 . . . 7377 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 7377 2 stop_ save_ save_DNACzrA_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode DNACzrA_sample_3 _Sample.Entry_ID 7377 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _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 CzrA '[U-2H; U-15N]; [13C]-Ile,Leu,Val-methyl' . . 1 $CzrA_Chain . . 1 . . mM 0.1 . . . 7377 3 2 DNA 'natural abundance' . . 2 $DNA . . . 1 1.5 mM . . . . 7377 3 3 MES '[U-100% 2H]' . . . . . . 10 . . mM 0.5 . . . 7377 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 7377 3 stop_ save_ save_DNACzrA_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode DNACzrA_sample_4 _Sample.Entry_ID 7377 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _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 CzrA '[U-2H; U-15N]; [13C]-Ile,Leu,Val-methyl; [U-2H]-Leu,Val-methyl' . . 1 $CzrA_Chain . . 1 . . mM 0.1 . . . 7377 4 2 DNA 'natural abundance' . . 2 $DNA . . . 1 1.5 mM . . . . 7377 4 3 MES '[U-100% 2H]' . . . . . . 10 . . mM 0.5 . . . 7377 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 7377 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7377 _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 'ionic strength' 50 1 mM 7377 1 pH 6.0 0.2 pH 7377 1 pressure 1 . atm 7377 1 temperature 313 2 K 7377 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7377 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 7377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7377 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7377 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 7377 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7377 2 'data analysis' 7377 2 'peak picking' 7377 2 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 7377 _Software.ID 3 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MARS)-Jung and Zweckstetter' . . 7377 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7377 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7377 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7377 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 7377 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 7377 1 2 spectrometer_2 Varian INOVA . 800 . . . 7377 1 3 spectrometer_3 Varian INOVA . 900 . . . 7377 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 7377 _Experiment_list.ID 1 _Experiment_list.Details 'Residual Dipolar Couplings were measured in anisotropic environment using phage or gels.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 3 '3D TROSY-HN(COCA)CB' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 4 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 5 '3D TROSY-HNCA' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 6 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 8 '4D 13C/15 NOESY' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 9 '3D TROSY-HNCO' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 10 '3D TROSY-HNCO (1J HN couplings)' no . . . . . . . . . . 1 $DNACzrA_sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 11 '3D TROSY-HNCO (1J COCA couplings)' no . . . . . . . . . . 1 $DNACzrA_sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 12 '3D TROSY-HNCO (1J NCA couplings)' no . . . . . . . . . . 1 $DNACzrA_sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 13 '2D IPAP-HSQC' no . . . . . . . . . . 1 $DNACzrA_sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 14 '3D HMCM[CG]CBCA' no . . . . . . . . . . 1 $DNACzrA_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7377 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7377 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced using internal standard DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7377 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7377 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7377 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 7377 1 2 '2D 1H-13C HMQC' . . . 7377 1 3 '3D TROSY-HN(COCA)CB' . . . 7377 1 4 '3D TROSY-HNCACB' . . . 7377 1 5 '3D TROSY-HNCA' . . . 7377 1 6 '3D 1H-15N NOESY-TROSY' . . . 7377 1 7 '3D 1H-13C NOESY' . . . 7377 1 8 '4D 13C/15 NOESY' . . . 7377 1 9 '3D TROSY-HNCO' . . . 7377 1 10 '3D TROSY-HNCO (1J HN couplings)' . . . 7377 1 11 '3D TROSY-HNCO (1J COCA couplings)' . . . 7377 1 12 '3D TROSY-HNCO (1J NCA couplings)' . . . 7377 1 13 '2D IPAP-HSQC' . . . 7377 1 14 '3D HMCM[CG]CBCA' . . . 7377 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide nitrogens' . 0.75 . 7377 1 'TROSY offset' 'amide protons' . 0.10 . 7377 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 7377 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 177.594 0.400 . 1 . . . . 1 MET C . 7377 1 2 . 1 1 1 1 MET CA C 13 66.563 0.400 . 1 . . . . 1 MET CA . 7377 1 3 . 1 1 1 1 MET CB C 13 28.162 0.400 . 1 . . . . 1 MET CB . 7377 1 4 . 1 1 2 2 ALA H H 1 8.185 0.020 . 1 . . . . 2 ALA H . 7377 1 5 . 1 1 2 2 ALA C C 13 178.285 0.400 . 1 . . . . 2 ALA C . 7377 1 6 . 1 1 2 2 ALA CA C 13 52.363 0.400 . 1 . . . . 2 ALA CA . 7377 1 7 . 1 1 2 2 ALA CB C 13 18.426 0.400 . 1 . . . . 2 ALA CB . 7377 1 8 . 1 1 2 2 ALA N N 15 129.004 0.400 . 1 . . . . 2 ALA N . 7377 1 9 . 1 1 3 3 GLU H H 1 8.425 0.020 . 1 . . . . 3 GLU H . 7377 1 10 . 1 1 3 3 GLU C C 13 176.028 0.400 . 1 . . . . 3 GLU C . 7377 1 11 . 1 1 3 3 GLU CA C 13 56.293 0.400 . 1 . . . . 3 GLU CA . 7377 1 12 . 1 1 3 3 GLU CB C 13 29.147 0.400 . 1 . . . . 3 GLU CB . 7377 1 13 . 1 1 3 3 GLU N N 15 120.326 0.400 . 1 . . . . 3 GLU N . 7377 1 14 . 1 1 4 4 GLN H H 1 8.336 0.020 . 1 . . . . 4 GLN H . 7377 1 15 . 1 1 4 4 GLN HE21 H 1 7.446 0.020 . 2 . . . . 4 GLN HE21 . 7377 1 16 . 1 1 4 4 GLN HE22 H 1 6.809 0.020 . 2 . . . . 4 GLN HE22 . 7377 1 17 . 1 1 4 4 GLN C C 13 175.524 0.400 . 1 . . . . 4 GLN C . 7377 1 18 . 1 1 4 4 GLN CA C 13 55.292 0.400 . 1 . . . . 4 GLN CA . 7377 1 19 . 1 1 4 4 GLN CB C 13 29.113 0.400 . 1 . . . . 4 GLN CB . 7377 1 20 . 1 1 4 4 GLN N N 15 121.528 0.400 . 1 . . . . 4 GLN N . 7377 1 21 . 1 1 4 4 GLN NE2 N 15 112.023 0.400 . 1 . . . . 4 GLN NE2 . 7377 1 22 . 1 1 5 5 TYR H H 1 8.261 0.020 . 1 . . . . 5 TYR H . 7377 1 23 . 1 1 5 5 TYR C C 13 175.438 0.400 . 1 . . . . 5 TYR C . 7377 1 24 . 1 1 5 5 TYR CA C 13 57.794 0.400 . 1 . . . . 5 TYR CA . 7377 1 25 . 1 1 5 5 TYR CB C 13 38.162 0.400 . 1 . . . . 5 TYR CB . 7377 1 26 . 1 1 5 5 TYR N N 15 122.494 0.400 . 1 . . . . 5 TYR N . 7377 1 27 . 1 1 6 6 SER H H 1 7.856 0.020 . 1 . . . . 6 SER H . 7377 1 28 . 1 1 6 6 SER C C 13 173.637 0.400 . 1 . . . . 6 SER C . 7377 1 29 . 1 1 6 6 SER CA C 13 57.413 0.400 . 1 . . . . 6 SER CA . 7377 1 30 . 1 1 6 6 SER CB C 13 63.529 0.400 . 1 . . . . 6 SER CB . 7377 1 31 . 1 1 6 6 SER N N 15 119.267 0.400 . 1 . . . . 6 SER N . 7377 1 32 . 1 1 7 7 GLU H H 1 8.201 0.020 . 1 . . . . 7 GLU H . 7377 1 33 . 1 1 7 7 GLU C C 13 176.265 0.400 . 1 . . . . 7 GLU C . 7377 1 34 . 1 1 7 7 GLU CA C 13 56.107 0.400 . 1 . . . . 7 GLU CA . 7377 1 35 . 1 1 7 7 GLU CB C 13 29.535 0.400 . 1 . . . . 7 GLU CB . 7377 1 36 . 1 1 7 7 GLU N N 15 123.537 0.400 . 1 . . . . 7 GLU N . 7377 1 37 . 1 1 8 8 ILE H H 1 8.032 0.020 . 1 . . . . 8 ILE H . 7377 1 38 . 1 1 8 8 ILE HG21 H 1 0.880 0.020 . 1 . . . . 8 ILE HG2 . 7377 1 39 . 1 1 8 8 ILE HG22 H 1 0.880 0.020 . 1 . . . . 8 ILE HG2 . 7377 1 40 . 1 1 8 8 ILE HG23 H 1 0.880 0.020 . 1 . . . . 8 ILE HG2 . 7377 1 41 . 1 1 8 8 ILE HD11 H 1 0.804 0.020 . 1 . . . . 8 ILE HD1 . 7377 1 42 . 1 1 8 8 ILE HD12 H 1 0.804 0.020 . 1 . . . . 8 ILE HD1 . 7377 1 43 . 1 1 8 8 ILE HD13 H 1 0.804 0.020 . 1 . . . . 8 ILE HD1 . 7377 1 44 . 1 1 8 8 ILE C C 13 175.311 0.400 . 1 . . . . 8 ILE C . 7377 1 45 . 1 1 8 8 ILE CA C 13 60.395 0.400 . 1 . . . . 8 ILE CA . 7377 1 46 . 1 1 8 8 ILE CB C 13 37.553 0.400 . 1 . . . . 8 ILE CB . 7377 1 47 . 1 1 8 8 ILE CG2 C 13 16.959 0.400 . 1 . . . . 8 ILE CG2 . 7377 1 48 . 1 1 8 8 ILE CD1 C 13 12.809 0.400 . 1 . . . . 8 ILE CD1 . 7377 1 49 . 1 1 8 8 ILE N N 15 122.435 0.400 . 1 . . . . 8 ILE N . 7377 1 50 . 1 1 9 9 ASN H H 1 8.179 0.020 . 1 . . . . 9 ASN H . 7377 1 51 . 1 1 9 9 ASN HD21 H 1 7.673 0.020 . 2 . . . . 9 ASN HD21 . 7377 1 52 . 1 1 9 9 ASN HD22 H 1 7.023 0.020 . 2 . . . . 9 ASN HD22 . 7377 1 53 . 1 1 9 9 ASN C C 13 176.044 0.400 . 1 . . . . 9 ASN C . 7377 1 54 . 1 1 9 9 ASN CA C 13 52.942 0.400 . 1 . . . . 9 ASN CA . 7377 1 55 . 1 1 9 9 ASN CB C 13 38.886 0.400 . 1 . . . . 9 ASN CB . 7377 1 56 . 1 1 9 9 ASN N N 15 123.443 0.400 . 1 . . . . 9 ASN N . 7377 1 57 . 1 1 9 9 ASN ND2 N 15 113.298 0.400 . 1 . . . . 9 ASN ND2 . 7377 1 58 . 1 1 10 10 THR H H 1 8.341 0.020 . 1 . . . . 10 THR H . 7377 1 59 . 1 1 10 10 THR C C 13 175.741 0.400 . 1 . . . . 10 THR C . 7377 1 60 . 1 1 10 10 THR CA C 13 65.056 0.400 . 1 . . . . 10 THR CA . 7377 1 61 . 1 1 10 10 THR CB C 13 68.510 0.400 . 1 . . . . 10 THR CB . 7377 1 62 . 1 1 10 10 THR N N 15 116.563 0.400 . 1 . . . . 10 THR N . 7377 1 63 . 1 1 11 11 ASP H H 1 8.298 0.020 . 1 . . . . 11 ASP H . 7377 1 64 . 1 1 11 11 ASP C C 13 178.611 0.400 . 1 . . . . 11 ASP C . 7377 1 65 . 1 1 11 11 ASP CA C 13 56.372 0.400 . 1 . . . . 11 ASP CA . 7377 1 66 . 1 1 11 11 ASP CB C 13 39.799 0.400 . 1 . . . . 11 ASP CB . 7377 1 67 . 1 1 11 11 ASP N N 15 121.802 0.400 . 1 . . . . 11 ASP N . 7377 1 68 . 1 1 12 12 THR H H 1 7.923 0.020 . 1 . . . . 12 THR H . 7377 1 69 . 1 1 12 12 THR C C 13 175.992 0.400 . 1 . . . . 12 THR C . 7377 1 70 . 1 1 12 12 THR CA C 13 66.136 0.400 . 1 . . . . 12 THR CA . 7377 1 71 . 1 1 12 12 THR CB C 13 68.008 0.400 . 1 . . . . 12 THR CB . 7377 1 72 . 1 1 12 12 THR N N 15 118.436 0.400 . 1 . . . . 12 THR N . 7377 1 73 . 1 1 13 13 LEU H H 1 7.983 0.020 . 1 . . . . 13 LEU H . 7377 1 74 . 1 1 13 13 LEU HD11 H 1 0.807 0.020 . 2 . . . . 13 LEU HD1 . 7377 1 75 . 1 1 13 13 LEU HD12 H 1 0.807 0.020 . 2 . . . . 13 LEU HD1 . 7377 1 76 . 1 1 13 13 LEU HD13 H 1 0.807 0.020 . 2 . . . . 13 LEU HD1 . 7377 1 77 . 1 1 13 13 LEU HD21 H 1 0.676 0.020 . 2 . . . . 13 LEU HD2 . 7377 1 78 . 1 1 13 13 LEU HD22 H 1 0.676 0.020 . 2 . . . . 13 LEU HD2 . 7377 1 79 . 1 1 13 13 LEU HD23 H 1 0.676 0.020 . 2 . . . . 13 LEU HD2 . 7377 1 80 . 1 1 13 13 LEU C C 13 180.336 0.400 . 1 . . . . 13 LEU C . 7377 1 81 . 1 1 13 13 LEU CA C 13 57.622 0.400 . 1 . . . . 13 LEU CA . 7377 1 82 . 1 1 13 13 LEU CB C 13 40.529 0.400 . 1 . . . . 13 LEU CB . 7377 1 83 . 1 1 13 13 LEU CD1 C 13 25.028 0.400 . 1 . . . . 13 LEU CD1 . 7377 1 84 . 1 1 13 13 LEU CD2 C 13 22.734 0.400 . 1 . . . . 13 LEU CD2 . 7377 1 85 . 1 1 13 13 LEU N N 15 120.285 0.400 . 1 . . . . 13 LEU N . 7377 1 86 . 1 1 14 14 GLU H H 1 8.602 0.020 . 1 . . . . 14 GLU H . 7377 1 87 . 1 1 14 14 GLU C C 13 178.415 0.400 . 1 . . . . 14 GLU C . 7377 1 88 . 1 1 14 14 GLU CA C 13 59.371 0.400 . 1 . . . . 14 GLU CA . 7377 1 89 . 1 1 14 14 GLU CB C 13 27.743 0.400 . 1 . . . . 14 GLU CB . 7377 1 90 . 1 1 14 14 GLU N N 15 122.404 0.400 . 1 . . . . 14 GLU N . 7377 1 91 . 1 1 15 15 ARG H H 1 7.820 0.020 . 1 . . . . 15 ARG H . 7377 1 92 . 1 1 15 15 ARG C C 13 179.121 0.400 . 1 . . . . 15 ARG C . 7377 1 93 . 1 1 15 15 ARG CA C 13 58.813 0.400 . 1 . . . . 15 ARG CA . 7377 1 94 . 1 1 15 15 ARG CB C 13 29.029 0.400 . 1 . . . . 15 ARG CB . 7377 1 95 . 1 1 15 15 ARG N N 15 120.238 0.400 . 1 . . . . 15 ARG N . 7377 1 96 . 1 1 16 16 VAL H H 1 8.152 0.020 . 1 . . . . 16 VAL H . 7377 1 97 . 1 1 16 16 VAL HG11 H 1 0.862 0.020 . 2 . . . . 16 VAL HG1 . 7377 1 98 . 1 1 16 16 VAL HG12 H 1 0.862 0.020 . 2 . . . . 16 VAL HG1 . 7377 1 99 . 1 1 16 16 VAL HG13 H 1 0.862 0.020 . 2 . . . . 16 VAL HG1 . 7377 1 100 . 1 1 16 16 VAL HG21 H 1 0.946 0.020 . 2 . . . . 16 VAL HG2 . 7377 1 101 . 1 1 16 16 VAL HG22 H 1 0.946 0.020 . 2 . . . . 16 VAL HG2 . 7377 1 102 . 1 1 16 16 VAL HG23 H 1 0.946 0.020 . 2 . . . . 16 VAL HG2 . 7377 1 103 . 1 1 16 16 VAL C C 13 177.050 0.400 . 1 . . . . 16 VAL C . 7377 1 104 . 1 1 16 16 VAL CA C 13 65.839 0.400 . 1 . . . . 16 VAL CA . 7377 1 105 . 1 1 16 16 VAL CB C 13 30.886 0.400 . 1 . . . . 16 VAL CB . 7377 1 106 . 1 1 16 16 VAL CG1 C 13 22.502 0.400 . 1 . . . . 16 VAL CG1 . 7377 1 107 . 1 1 16 16 VAL CG2 C 13 23.279 0.400 . 1 . . . . 16 VAL CG2 . 7377 1 108 . 1 1 16 16 VAL N N 15 117.642 0.400 . 1 . . . . 16 VAL N . 7377 1 109 . 1 1 17 17 THR H H 1 7.951 0.020 . 1 . . . . 17 THR H . 7377 1 110 . 1 1 17 17 THR C C 13 176.285 0.400 . 1 . . . . 17 THR C . 7377 1 111 . 1 1 17 17 THR CA C 13 67.947 0.400 . 1 . . . . 17 THR CA . 7377 1 112 . 1 1 17 17 THR N N 15 117.227 0.400 . 1 . . . . 17 THR N . 7377 1 113 . 1 1 18 18 GLU H H 1 7.699 0.020 . 1 . . . . 18 GLU H . 7377 1 114 . 1 1 18 18 GLU C C 13 179.594 0.400 . 1 . . . . 18 GLU C . 7377 1 115 . 1 1 18 18 GLU CA C 13 58.918 0.400 . 1 . . . . 18 GLU CA . 7377 1 116 . 1 1 18 18 GLU CB C 13 28.124 0.400 . 1 . . . . 18 GLU CB . 7377 1 117 . 1 1 18 18 GLU N N 15 119.114 0.400 . 1 . . . . 18 GLU N . 7377 1 118 . 1 1 19 19 ILE H H 1 7.554 0.020 . 1 . . . . 19 ILE H . 7377 1 119 . 1 1 19 19 ILE HD11 H 1 0.780 0.020 . 1 . . . . 19 ILE HD1 . 7377 1 120 . 1 1 19 19 ILE HD12 H 1 0.780 0.020 . 1 . . . . 19 ILE HD1 . 7377 1 121 . 1 1 19 19 ILE HD13 H 1 0.780 0.020 . 1 . . . . 19 ILE HD1 . 7377 1 122 . 1 1 19 19 ILE C C 13 177.308 0.400 . 1 . . . . 19 ILE C . 7377 1 123 . 1 1 19 19 ILE CA C 13 65.242 0.400 . 1 . . . . 19 ILE CA . 7377 1 124 . 1 1 19 19 ILE CB C 13 36.867 0.400 . 1 . . . . 19 ILE CB . 7377 1 125 . 1 1 19 19 ILE CD1 C 13 13.040 0.400 . 1 . . . . 19 ILE CD1 . 7377 1 126 . 1 1 19 19 ILE N N 15 120.991 0.400 . 1 . . . . 19 ILE N . 7377 1 127 . 1 1 20 20 PHE H H 1 7.826 0.020 . 1 . . . . 20 PHE H . 7377 1 128 . 1 1 20 20 PHE C C 13 178.328 0.400 . 1 . . . . 20 PHE C . 7377 1 129 . 1 1 20 20 PHE CA C 13 60.403 0.400 . 1 . . . . 20 PHE CA . 7377 1 130 . 1 1 20 20 PHE CB C 13 36.347 0.400 . 1 . . . . 20 PHE CB . 7377 1 131 . 1 1 20 20 PHE N N 15 118.354 0.400 . 1 . . . . 20 PHE N . 7377 1 132 . 1 1 21 21 LYS H H 1 8.734 0.020 . 1 . . . . 21 LYS H . 7377 1 133 . 1 1 21 21 LYS C C 13 180.464 0.400 . 1 . . . . 21 LYS C . 7377 1 134 . 1 1 21 21 LYS CA C 13 59.646 0.400 . 1 . . . . 21 LYS CA . 7377 1 135 . 1 1 21 21 LYS CB C 13 31.810 0.400 . 1 . . . . 21 LYS CB . 7377 1 136 . 1 1 21 21 LYS N N 15 118.497 0.400 . 1 . . . . 21 LYS N . 7377 1 137 . 1 1 22 22 ALA H H 1 7.821 0.020 . 1 . . . . 22 ALA H . 7377 1 138 . 1 1 22 22 ALA C C 13 179.473 0.400 . 1 . . . . 22 ALA C . 7377 1 139 . 1 1 22 22 ALA CA C 13 54.576 0.400 . 1 . . . . 22 ALA CA . 7377 1 140 . 1 1 22 22 ALA CB C 13 17.610 0.400 . 1 . . . . 22 ALA CB . 7377 1 141 . 1 1 22 22 ALA N N 15 121.963 0.400 . 1 . . . . 22 ALA N . 7377 1 142 . 1 1 23 23 LEU H H 1 7.527 0.020 . 1 . . . . 23 LEU H . 7377 1 143 . 1 1 23 23 LEU HD11 H 1 0.125 0.020 . 2 . . . . 23 LEU HD1 . 7377 1 144 . 1 1 23 23 LEU HD12 H 1 0.125 0.020 . 2 . . . . 23 LEU HD1 . 7377 1 145 . 1 1 23 23 LEU HD13 H 1 0.125 0.020 . 2 . . . . 23 LEU HD1 . 7377 1 146 . 1 1 23 23 LEU HD21 H 1 0.516 0.020 . 2 . . . . 23 LEU HD2 . 7377 1 147 . 1 1 23 23 LEU HD22 H 1 0.516 0.020 . 2 . . . . 23 LEU HD2 . 7377 1 148 . 1 1 23 23 LEU HD23 H 1 0.516 0.020 . 2 . . . . 23 LEU HD2 . 7377 1 149 . 1 1 23 23 LEU C C 13 176.012 0.400 . 1 . . . . 23 LEU C . 7377 1 150 . 1 1 23 23 LEU CA C 13 54.567 0.400 . 1 . . . . 23 LEU CA . 7377 1 151 . 1 1 23 23 LEU CB C 13 41.135 0.400 . 1 . . . . 23 LEU CB . 7377 1 152 . 1 1 23 23 LEU CD1 C 13 25.406 0.400 . 1 . . . . 23 LEU CD1 . 7377 1 153 . 1 1 23 23 LEU CD2 C 13 22.830 0.400 . 1 . . . . 23 LEU CD2 . 7377 1 154 . 1 1 23 23 LEU N N 15 116.715 0.400 . 1 . . . . 23 LEU N . 7377 1 155 . 1 1 24 24 GLY H H 1 7.620 0.020 . 1 . . . . 24 GLY H . 7377 1 156 . 1 1 24 24 GLY C C 13 173.752 0.400 . 1 . . . . 24 GLY C . 7377 1 157 . 1 1 24 24 GLY CA C 13 46.901 0.400 . 1 . . . . 24 GLY CA . 7377 1 158 . 1 1 24 24 GLY N N 15 105.520 0.400 . 1 . . . . 24 GLY N . 7377 1 159 . 1 1 25 25 ASP H H 1 8.066 0.020 . 1 . . . . 25 ASP H . 7377 1 160 . 1 1 25 25 ASP C C 13 173.916 0.400 . 1 . . . . 25 ASP C . 7377 1 161 . 1 1 25 25 ASP CA C 13 53.482 0.400 . 1 . . . . 25 ASP CA . 7377 1 162 . 1 1 25 25 ASP CB C 13 43.398 0.400 . 1 . . . . 25 ASP CB . 7377 1 163 . 1 1 25 25 ASP N N 15 121.287 0.400 . 1 . . . . 25 ASP N . 7377 1 164 . 1 1 26 26 TYR H H 1 8.837 0.020 . 1 . . . . 26 TYR H . 7377 1 165 . 1 1 26 26 TYR C C 13 176.833 0.400 . 1 . . . . 26 TYR C . 7377 1 166 . 1 1 26 26 TYR CA C 13 60.695 0.400 . 1 . . . . 26 TYR CA . 7377 1 167 . 1 1 26 26 TYR CB C 13 38.501 0.400 . 1 . . . . 26 TYR CB . 7377 1 168 . 1 1 26 26 TYR N N 15 128.755 0.400 . 1 . . . . 26 TYR N . 7377 1 169 . 1 1 27 27 ASN H H 1 8.196 0.020 . 1 . . . . 27 ASN H . 7377 1 170 . 1 1 27 27 ASN HD21 H 1 7.559 0.020 . 2 . . . . 27 ASN HD21 . 7377 1 171 . 1 1 27 27 ASN HD22 H 1 6.919 0.020 . 2 . . . . 27 ASN HD22 . 7377 1 172 . 1 1 27 27 ASN C C 13 178.512 0.400 . 1 . . . . 27 ASN C . 7377 1 173 . 1 1 27 27 ASN CA C 13 55.831 0.400 . 1 . . . . 27 ASN CA . 7377 1 174 . 1 1 27 27 ASN CB C 13 37.026 0.400 . 1 . . . . 27 ASN CB . 7377 1 175 . 1 1 27 27 ASN N N 15 116.261 0.400 . 1 . . . . 27 ASN N . 7377 1 176 . 1 1 27 27 ASN ND2 N 15 112.808 0.400 . 1 . . . . 27 ASN ND2 . 7377 1 177 . 1 1 28 28 ARG H H 1 8.739 0.020 . 1 . . . . 28 ARG H . 7377 1 178 . 1 1 28 28 ARG C C 13 178.805 0.400 . 1 . . . . 28 ARG C . 7377 1 179 . 1 1 28 28 ARG CA C 13 62.226 0.400 . 1 . . . . 28 ARG CA . 7377 1 180 . 1 1 28 28 ARG CB C 13 29.765 0.400 . 1 . . . . 28 ARG CB . 7377 1 181 . 1 1 28 28 ARG N N 15 121.100 0.400 . 1 . . . . 28 ARG N . 7377 1 182 . 1 1 29 29 ILE H H 1 8.178 0.020 . 1 . . . . 29 ILE H . 7377 1 183 . 1 1 29 29 ILE HD11 H 1 1.060 0.020 . 1 . . . . 29 ILE HD1 . 7377 1 184 . 1 1 29 29 ILE HD12 H 1 1.060 0.020 . 1 . . . . 29 ILE HD1 . 7377 1 185 . 1 1 29 29 ILE HD13 H 1 1.060 0.020 . 1 . . . . 29 ILE HD1 . 7377 1 186 . 1 1 29 29 ILE C C 13 178.123 0.400 . 1 . . . . 29 ILE C . 7377 1 187 . 1 1 29 29 ILE CA C 13 64.786 0.400 . 1 . . . . 29 ILE CA . 7377 1 188 . 1 1 29 29 ILE CB C 13 35.517 0.400 . 1 . . . . 29 ILE CB . 7377 1 189 . 1 1 29 29 ILE CD1 C 13 13.702 0.400 . 1 . . . . 29 ILE CD1 . 7377 1 190 . 1 1 29 29 ILE N N 15 120.951 0.400 . 1 . . . . 29 ILE N . 7377 1 191 . 1 1 30 30 ARG H H 1 7.785 0.020 . 1 . . . . 30 ARG H . 7377 1 192 . 1 1 30 30 ARG C C 13 179.737 0.400 . 1 . . . . 30 ARG C . 7377 1 193 . 1 1 30 30 ARG CA C 13 60.245 0.400 . 1 . . . . 30 ARG CA . 7377 1 194 . 1 1 30 30 ARG CB C 13 30.257 0.400 . 1 . . . . 30 ARG CB . 7377 1 195 . 1 1 30 30 ARG N N 15 119.580 0.400 . 1 . . . . 30 ARG N . 7377 1 196 . 1 1 31 31 ILE H H 1 8.112 0.020 . 1 . . . . 31 ILE H . 7377 1 197 . 1 1 31 31 ILE HD11 H 1 0.571 0.020 . 1 . . . . 31 ILE HD1 . 7377 1 198 . 1 1 31 31 ILE HD12 H 1 0.571 0.020 . 1 . . . . 31 ILE HD1 . 7377 1 199 . 1 1 31 31 ILE HD13 H 1 0.571 0.020 . 1 . . . . 31 ILE HD1 . 7377 1 200 . 1 1 31 31 ILE C C 13 176.944 0.400 . 1 . . . . 31 ILE C . 7377 1 201 . 1 1 31 31 ILE CA C 13 65.996 0.400 . 1 . . . . 31 ILE CA . 7377 1 202 . 1 1 31 31 ILE CB C 13 37.412 0.400 . 1 . . . . 31 ILE CB . 7377 1 203 . 1 1 31 31 ILE CD1 C 13 13.362 0.400 . 1 . . . . 31 ILE CD1 . 7377 1 204 . 1 1 31 31 ILE N N 15 120.698 0.400 . 1 . . . . 31 ILE N . 7377 1 205 . 1 1 32 32 MET H H 1 8.004 0.020 . 1 . . . . 32 MET H . 7377 1 206 . 1 1 32 32 MET C C 13 179.468 0.400 . 1 . . . . 32 MET C . 7377 1 207 . 1 1 32 32 MET CA C 13 56.806 0.400 . 1 . . . . 32 MET CA . 7377 1 208 . 1 1 32 32 MET CB C 13 29.669 0.400 . 1 . . . . 32 MET CB . 7377 1 209 . 1 1 32 32 MET N N 15 118.158 0.400 . 1 . . . . 32 MET N . 7377 1 210 . 1 1 33 33 GLU H H 1 8.783 0.020 . 1 . . . . 33 GLU H . 7377 1 211 . 1 1 33 33 GLU C C 13 179.773 0.400 . 1 . . . . 33 GLU C . 7377 1 212 . 1 1 33 33 GLU CA C 13 58.302 0.400 . 1 . . . . 33 GLU CA . 7377 1 213 . 1 1 33 33 GLU CB C 13 28.590 0.400 . 1 . . . . 33 GLU CB . 7377 1 214 . 1 1 33 33 GLU N N 15 119.493 0.400 . 1 . . . . 33 GLU N . 7377 1 215 . 1 1 34 34 LEU H H 1 7.949 0.020 . 1 . . . . 34 LEU H . 7377 1 216 . 1 1 34 34 LEU HD11 H 1 0.775 0.020 . 2 . . . . 34 LEU HD1 . 7377 1 217 . 1 1 34 34 LEU HD12 H 1 0.775 0.020 . 2 . . . . 34 LEU HD1 . 7377 1 218 . 1 1 34 34 LEU HD13 H 1 0.775 0.020 . 2 . . . . 34 LEU HD1 . 7377 1 219 . 1 1 34 34 LEU HD21 H 1 0.784 0.020 . 2 . . . . 34 LEU HD2 . 7377 1 220 . 1 1 34 34 LEU HD22 H 1 0.784 0.020 . 2 . . . . 34 LEU HD2 . 7377 1 221 . 1 1 34 34 LEU HD23 H 1 0.784 0.020 . 2 . . . . 34 LEU HD2 . 7377 1 222 . 1 1 34 34 LEU C C 13 180.192 0.400 . 1 . . . . 34 LEU C . 7377 1 223 . 1 1 34 34 LEU CA C 13 58.983 0.400 . 1 . . . . 34 LEU CA . 7377 1 224 . 1 1 34 34 LEU CB C 13 41.120 0.400 . 1 . . . . 34 LEU CB . 7377 1 225 . 1 1 34 34 LEU CD1 C 13 26.084 0.400 . 1 . . . . 34 LEU CD1 . 7377 1 226 . 1 1 34 34 LEU CD2 C 13 26.782 0.400 . 1 . . . . 34 LEU CD2 . 7377 1 227 . 1 1 34 34 LEU N N 15 124.644 0.400 . 1 . . . . 34 LEU N . 7377 1 228 . 1 1 35 35 LEU H H 1 8.206 0.020 . 1 . . . . 35 LEU H . 7377 1 229 . 1 1 35 35 LEU HD11 H 1 0.658 0.020 . 2 . . . . 35 LEU HD1 . 7377 1 230 . 1 1 35 35 LEU HD12 H 1 0.658 0.020 . 2 . . . . 35 LEU HD1 . 7377 1 231 . 1 1 35 35 LEU HD13 H 1 0.658 0.020 . 2 . . . . 35 LEU HD1 . 7377 1 232 . 1 1 35 35 LEU HD21 H 1 0.927 0.020 . 2 . . . . 35 LEU HD2 . 7377 1 233 . 1 1 35 35 LEU HD22 H 1 0.927 0.020 . 2 . . . . 35 LEU HD2 . 7377 1 234 . 1 1 35 35 LEU HD23 H 1 0.927 0.020 . 2 . . . . 35 LEU HD2 . 7377 1 235 . 1 1 35 35 LEU C C 13 178.658 0.400 . 1 . . . . 35 LEU C . 7377 1 236 . 1 1 35 35 LEU CA C 13 55.461 0.400 . 1 . . . . 35 LEU CA . 7377 1 237 . 1 1 35 35 LEU CB C 13 40.904 0.400 . 1 . . . . 35 LEU CB . 7377 1 238 . 1 1 35 35 LEU CD1 C 13 26.907 0.400 . 1 . . . . 35 LEU CD1 . 7377 1 239 . 1 1 35 35 LEU CD2 C 13 22.967 0.400 . 1 . . . . 35 LEU CD2 . 7377 1 240 . 1 1 35 35 LEU N N 15 119.362 0.400 . 1 . . . . 35 LEU N . 7377 1 241 . 1 1 36 36 SER H H 1 7.854 0.020 . 1 . . . . 36 SER H . 7377 1 242 . 1 1 36 36 SER C C 13 175.084 0.400 . 1 . . . . 36 SER C . 7377 1 243 . 1 1 36 36 SER CA C 13 60.563 0.400 . 1 . . . . 36 SER CA . 7377 1 244 . 1 1 36 36 SER CB C 13 62.259 0.400 . 1 . . . . 36 SER CB . 7377 1 245 . 1 1 36 36 SER N N 15 115.117 0.400 . 1 . . . . 36 SER N . 7377 1 246 . 1 1 37 37 VAL H H 1 7.439 0.020 . 1 . . . . 37 VAL H . 7377 1 247 . 1 1 37 37 VAL HG11 H 1 0.973 0.020 . 2 . . . . 37 VAL HG1 . 7377 1 248 . 1 1 37 37 VAL HG12 H 1 0.973 0.020 . 2 . . . . 37 VAL HG1 . 7377 1 249 . 1 1 37 37 VAL HG13 H 1 0.973 0.020 . 2 . . . . 37 VAL HG1 . 7377 1 250 . 1 1 37 37 VAL HG21 H 1 1.064 0.020 . 2 . . . . 37 VAL HG2 . 7377 1 251 . 1 1 37 37 VAL HG22 H 1 1.064 0.020 . 2 . . . . 37 VAL HG2 . 7377 1 252 . 1 1 37 37 VAL HG23 H 1 1.064 0.020 . 2 . . . . 37 VAL HG2 . 7377 1 253 . 1 1 37 37 VAL C C 13 176.671 0.400 . 1 . . . . 37 VAL C . 7377 1 254 . 1 1 37 37 VAL CA C 13 64.330 0.400 . 1 . . . . 37 VAL CA . 7377 1 255 . 1 1 37 37 VAL CB C 13 31.671 0.400 . 1 . . . . 37 VAL CB . 7377 1 256 . 1 1 37 37 VAL CG1 C 13 21.168 0.400 . 1 . . . . 37 VAL CG1 . 7377 1 257 . 1 1 37 37 VAL CG2 C 13 21.543 0.400 . 1 . . . . 37 VAL CG2 . 7377 1 258 . 1 1 37 37 VAL N N 15 122.706 0.400 . 1 . . . . 37 VAL N . 7377 1 259 . 1 1 38 38 SER H H 1 7.589 0.020 . 1 . . . . 38 SER H . 7377 1 260 . 1 1 38 38 SER C C 13 172.087 0.400 . 1 . . . . 38 SER C . 7377 1 261 . 1 1 38 38 SER CA C 13 57.365 0.400 . 1 . . . . 38 SER CA . 7377 1 262 . 1 1 38 38 SER CB C 13 64.887 0.400 . 1 . . . . 38 SER CB . 7377 1 263 . 1 1 38 38 SER N N 15 113.221 0.400 . 1 . . . . 38 SER N . 7377 1 264 . 1 1 39 39 GLU H H 1 8.095 0.020 . 1 . . . . 39 GLU H . 7377 1 265 . 1 1 39 39 GLU C C 13 176.595 0.400 . 1 . . . . 39 GLU C . 7377 1 266 . 1 1 39 39 GLU CA C 13 56.003 0.400 . 1 . . . . 39 GLU CA . 7377 1 267 . 1 1 39 39 GLU CB C 13 28.446 0.400 . 1 . . . . 39 GLU CB . 7377 1 268 . 1 1 39 39 GLU N N 15 121.274 0.400 . 1 . . . . 39 GLU N . 7377 1 269 . 1 1 40 40 ALA H H 1 8.565 0.020 . 1 . . . . 40 ALA H . 7377 1 270 . 1 1 40 40 ALA C C 13 175.758 0.400 . 1 . . . . 40 ALA C . 7377 1 271 . 1 1 40 40 ALA CA C 13 51.704 0.400 . 1 . . . . 40 ALA CA . 7377 1 272 . 1 1 40 40 ALA CB C 13 23.220 0.400 . 1 . . . . 40 ALA CB . 7377 1 273 . 1 1 40 40 ALA N N 15 122.847 0.400 . 1 . . . . 40 ALA N . 7377 1 274 . 1 1 41 41 SER H H 1 8.503 0.020 . 1 . . . . 41 SER H . 7377 1 275 . 1 1 41 41 SER C C 13 175.365 0.400 . 1 . . . . 41 SER C . 7377 1 276 . 1 1 41 41 SER CA C 13 56.555 0.400 . 1 . . . . 41 SER CA . 7377 1 277 . 1 1 41 41 SER CB C 13 63.847 0.400 . 1 . . . . 41 SER CB . 7377 1 278 . 1 1 41 41 SER N N 15 117.601 0.400 . 1 . . . . 41 SER N . 7377 1 279 . 1 1 42 42 VAL H H 1 7.881 0.020 . 1 . . . . 42 VAL H . 7377 1 280 . 1 1 42 42 VAL HG11 H 1 0.952 0.020 . 2 . . . . 42 VAL HG1 . 7377 1 281 . 1 1 42 42 VAL HG12 H 1 0.952 0.020 . 2 . . . . 42 VAL HG1 . 7377 1 282 . 1 1 42 42 VAL HG13 H 1 0.952 0.020 . 2 . . . . 42 VAL HG1 . 7377 1 283 . 1 1 42 42 VAL HG21 H 1 1.422 0.020 . 2 . . . . 42 VAL HG2 . 7377 1 284 . 1 1 42 42 VAL HG22 H 1 1.422 0.020 . 2 . . . . 42 VAL HG2 . 7377 1 285 . 1 1 42 42 VAL HG23 H 1 1.422 0.020 . 2 . . . . 42 VAL HG2 . 7377 1 286 . 1 1 42 42 VAL C C 13 179.576 0.400 . 1 . . . . 42 VAL C . 7377 1 287 . 1 1 42 42 VAL CA C 13 68.414 0.400 . 1 . . . . 42 VAL CA . 7377 1 288 . 1 1 42 42 VAL CB C 13 30.498 0.400 . 1 . . . . 42 VAL CB . 7377 1 289 . 1 1 42 42 VAL CG1 C 13 20.509 0.400 . 1 . . . . 42 VAL CG1 . 7377 1 290 . 1 1 42 42 VAL CG2 C 13 24.626 0.400 . 1 . . . . 42 VAL CG2 . 7377 1 291 . 1 1 42 42 VAL N N 15 122.360 0.400 . 1 . . . . 42 VAL N . 7377 1 292 . 1 1 43 43 GLY H H 1 9.642 0.020 . 1 . . . . 43 GLY H . 7377 1 293 . 1 1 43 43 GLY C C 13 176.700 0.400 . 1 . . . . 43 GLY C . 7377 1 294 . 1 1 43 43 GLY CA C 13 46.481 0.400 . 1 . . . . 43 GLY CA . 7377 1 295 . 1 1 43 43 GLY N N 15 109.489 0.400 . 1 . . . . 43 GLY N . 7377 1 296 . 1 1 44 44 HIS H H 1 7.866 0.020 . 1 . . . . 44 HIS H . 7377 1 297 . 1 1 44 44 HIS C C 13 177.550 0.400 . 1 . . . . 44 HIS C . 7377 1 298 . 1 1 44 44 HIS CA C 13 58.889 0.400 . 1 . . . . 44 HIS CA . 7377 1 299 . 1 1 44 44 HIS CB C 13 29.071 0.400 . 1 . . . . 44 HIS CB . 7377 1 300 . 1 1 44 44 HIS N N 15 122.353 0.400 . 1 . . . . 44 HIS N . 7377 1 301 . 1 1 45 45 ILE H H 1 8.263 0.020 . 1 . . . . 45 ILE H . 7377 1 302 . 1 1 45 45 ILE HD11 H 1 0.765 0.020 . 1 . . . . 45 ILE HD1 . 7377 1 303 . 1 1 45 45 ILE HD12 H 1 0.765 0.020 . 1 . . . . 45 ILE HD1 . 7377 1 304 . 1 1 45 45 ILE HD13 H 1 0.765 0.020 . 1 . . . . 45 ILE HD1 . 7377 1 305 . 1 1 45 45 ILE C C 13 177.520 0.400 . 1 . . . . 45 ILE C . 7377 1 306 . 1 1 45 45 ILE CA C 13 65.708 0.400 . 1 . . . . 45 ILE CA . 7377 1 307 . 1 1 45 45 ILE CB C 13 37.486 0.400 . 1 . . . . 45 ILE CB . 7377 1 308 . 1 1 45 45 ILE CD1 C 13 13.990 0.400 . 1 . . . . 45 ILE CD1 . 7377 1 309 . 1 1 45 45 ILE N N 15 120.656 0.400 . 1 . . . . 45 ILE N . 7377 1 310 . 1 1 46 46 SER H H 1 8.267 0.020 . 1 . . . . 46 SER H . 7377 1 311 . 1 1 46 46 SER C C 13 176.611 0.400 . 1 . . . . 46 SER C . 7377 1 312 . 1 1 46 46 SER CA C 13 61.549 0.400 . 1 . . . . 46 SER CA . 7377 1 313 . 1 1 46 46 SER CB C 13 62.254 0.400 . 1 . . . . 46 SER CB . 7377 1 314 . 1 1 46 46 SER N N 15 112.638 0.400 . 1 . . . . 46 SER N . 7377 1 315 . 1 1 47 47 HIS H H 1 8.197 0.020 . 1 . . . . 47 HIS H . 7377 1 316 . 1 1 47 47 HIS C C 13 177.841 0.400 . 1 . . . . 47 HIS C . 7377 1 317 . 1 1 47 47 HIS CA C 13 58.207 0.400 . 1 . . . . 47 HIS CA . 7377 1 318 . 1 1 47 47 HIS CB C 13 28.225 0.400 . 1 . . . . 47 HIS CB . 7377 1 319 . 1 1 47 47 HIS N N 15 118.096 0.400 . 1 . . . . 47 HIS N . 7377 1 320 . 1 1 48 48 GLN H H 1 8.447 0.020 . 1 . . . . 48 GLN H . 7377 1 321 . 1 1 48 48 GLN HE21 H 1 7.260 0.020 . 2 . . . . 48 GLN HE21 . 7377 1 322 . 1 1 48 48 GLN HE22 H 1 6.922 0.020 . 2 . . . . 48 GLN HE22 . 7377 1 323 . 1 1 48 48 GLN C C 13 177.739 0.400 . 1 . . . . 48 GLN C . 7377 1 324 . 1 1 48 48 GLN CA C 13 57.964 0.400 . 1 . . . . 48 GLN CA . 7377 1 325 . 1 1 48 48 GLN CB C 13 28.164 0.400 . 1 . . . . 48 GLN CB . 7377 1 326 . 1 1 48 48 GLN N N 15 118.211 0.400 . 1 . . . . 48 GLN N . 7377 1 327 . 1 1 48 48 GLN NE2 N 15 112.064 0.400 . 1 . . . . 48 GLN NE2 . 7377 1 328 . 1 1 49 49 LEU H H 1 7.668 0.020 . 1 . . . . 49 LEU H . 7377 1 329 . 1 1 49 49 LEU HD11 H 1 0.615 0.020 . 2 . . . . 49 LEU HD1 . 7377 1 330 . 1 1 49 49 LEU HD12 H 1 0.615 0.020 . 2 . . . . 49 LEU HD1 . 7377 1 331 . 1 1 49 49 LEU HD13 H 1 0.615 0.020 . 2 . . . . 49 LEU HD1 . 7377 1 332 . 1 1 49 49 LEU HD21 H 1 0.717 0.020 . 2 . . . . 49 LEU HD2 . 7377 1 333 . 1 1 49 49 LEU HD22 H 1 0.717 0.020 . 2 . . . . 49 LEU HD2 . 7377 1 334 . 1 1 49 49 LEU HD23 H 1 0.717 0.020 . 2 . . . . 49 LEU HD2 . 7377 1 335 . 1 1 49 49 LEU C C 13 176.268 0.400 . 1 . . . . 49 LEU C . 7377 1 336 . 1 1 49 49 LEU CA C 13 53.481 0.400 . 1 . . . . 49 LEU CA . 7377 1 337 . 1 1 49 49 LEU CB C 13 40.850 0.400 . 1 . . . . 49 LEU CB . 7377 1 338 . 1 1 49 49 LEU CD1 C 13 27.449 0.400 . 1 . . . . 49 LEU CD1 . 7377 1 339 . 1 1 49 49 LEU CD2 C 13 22.363 0.400 . 1 . . . . 49 LEU CD2 . 7377 1 340 . 1 1 49 49 LEU N N 15 113.314 0.400 . 1 . . . . 49 LEU N . 7377 1 341 . 1 1 50 50 ASN H H 1 7.637 0.020 . 1 . . . . 50 ASN H . 7377 1 342 . 1 1 50 50 ASN HD21 H 1 7.503 0.020 . 2 . . . . 50 ASN HD21 . 7377 1 343 . 1 1 50 50 ASN HD22 H 1 6.742 0.020 . 2 . . . . 50 ASN HD22 . 7377 1 344 . 1 1 50 50 ASN C C 13 173.855 0.400 . 1 . . . . 50 ASN C . 7377 1 345 . 1 1 50 50 ASN CA C 13 54.091 0.400 . 1 . . . . 50 ASN CA . 7377 1 346 . 1 1 50 50 ASN CB C 13 36.430 0.400 . 1 . . . . 50 ASN CB . 7377 1 347 . 1 1 50 50 ASN N N 15 117.995 0.400 . 1 . . . . 50 ASN N . 7377 1 348 . 1 1 50 50 ASN ND2 N 15 111.967 0.400 . 1 . . . . 50 ASN ND2 . 7377 1 349 . 1 1 51 51 LEU H H 1 7.980 0.020 . 1 . . . . 51 LEU H . 7377 1 350 . 1 1 51 51 LEU HD11 H 1 0.615 0.020 . 2 . . . . 51 LEU HD1 . 7377 1 351 . 1 1 51 51 LEU HD12 H 1 0.615 0.020 . 2 . . . . 51 LEU HD1 . 7377 1 352 . 1 1 51 51 LEU HD13 H 1 0.615 0.020 . 2 . . . . 51 LEU HD1 . 7377 1 353 . 1 1 51 51 LEU HD21 H 1 0.899 0.020 . 2 . . . . 51 LEU HD2 . 7377 1 354 . 1 1 51 51 LEU HD22 H 1 0.899 0.020 . 2 . . . . 51 LEU HD2 . 7377 1 355 . 1 1 51 51 LEU HD23 H 1 0.899 0.020 . 2 . . . . 51 LEU HD2 . 7377 1 356 . 1 1 51 51 LEU C C 13 176.495 0.400 . 1 . . . . 51 LEU C . 7377 1 357 . 1 1 51 51 LEU CA C 13 51.998 0.400 . 1 . . . . 51 LEU CA . 7377 1 358 . 1 1 51 51 LEU CB C 13 46.763 0.400 . 1 . . . . 51 LEU CB . 7377 1 359 . 1 1 51 51 LEU CD1 C 13 25.769 0.400 . 1 . . . . 51 LEU CD1 . 7377 1 360 . 1 1 51 51 LEU CD2 C 13 22.509 0.400 . 1 . . . . 51 LEU CD2 . 7377 1 361 . 1 1 51 51 LEU N N 15 118.476 0.400 . 1 . . . . 51 LEU N . 7377 1 362 . 1 1 52 52 SER H H 1 9.061 0.020 . 1 . . . . 52 SER H . 7377 1 363 . 1 1 52 52 SER C C 13 174.792 0.400 . 1 . . . . 52 SER C . 7377 1 364 . 1 1 52 52 SER CA C 13 57.789 0.400 . 1 . . . . 52 SER CA . 7377 1 365 . 1 1 52 52 SER CB C 13 63.318 0.400 . 1 . . . . 52 SER CB . 7377 1 366 . 1 1 52 52 SER N N 15 119.663 0.400 . 1 . . . . 52 SER N . 7377 1 367 . 1 1 53 53 GLN H H 1 8.922 0.020 . 1 . . . . 53 GLN H . 7377 1 368 . 1 1 53 53 GLN HE21 H 1 7.093 0.020 . 2 . . . . 53 GLN HE21 . 7377 1 369 . 1 1 53 53 GLN HE22 H 1 6.839 0.020 . 2 . . . . 53 GLN HE22 . 7377 1 370 . 1 1 53 53 GLN C C 13 177.918 0.400 . 1 . . . . 53 GLN C . 7377 1 371 . 1 1 53 53 GLN CA C 13 59.938 0.400 . 1 . . . . 53 GLN CA . 7377 1 372 . 1 1 53 53 GLN CB C 13 26.914 0.400 . 1 . . . . 53 GLN CB . 7377 1 373 . 1 1 53 53 GLN N N 15 123.488 0.400 . 1 . . . . 53 GLN N . 7377 1 374 . 1 1 53 53 GLN NE2 N 15 110.923 0.400 . 1 . . . . 53 GLN NE2 . 7377 1 375 . 1 1 54 54 SER H H 1 8.420 0.020 . 1 . . . . 54 SER H . 7377 1 376 . 1 1 54 54 SER C C 13 176.888 0.400 . 1 . . . . 54 SER C . 7377 1 377 . 1 1 54 54 SER CA C 13 60.960 0.400 . 1 . . . . 54 SER CA . 7377 1 378 . 1 1 54 54 SER CB C 13 61.789 0.400 . 1 . . . . 54 SER CB . 7377 1 379 . 1 1 54 54 SER N N 15 111.990 0.400 . 1 . . . . 54 SER N . 7377 1 380 . 1 1 55 55 ASN H H 1 7.706 0.020 . 1 . . . . 55 ASN H . 7377 1 381 . 1 1 55 55 ASN HD21 H 1 7.758 0.020 . 2 . . . . 55 ASN HD21 . 7377 1 382 . 1 1 55 55 ASN HD22 H 1 7.030 0.020 . 2 . . . . 55 ASN HD22 . 7377 1 383 . 1 1 55 55 ASN C C 13 178.274 0.400 . 1 . . . . 55 ASN C . 7377 1 384 . 1 1 55 55 ASN CA C 13 56.365 0.400 . 1 . . . . 55 ASN CA . 7377 1 385 . 1 1 55 55 ASN CB C 13 38.908 0.400 . 1 . . . . 55 ASN CB . 7377 1 386 . 1 1 55 55 ASN N N 15 122.115 0.400 . 1 . . . . 55 ASN N . 7377 1 387 . 1 1 55 55 ASN ND2 N 15 113.560 0.400 . 1 . . . . 55 ASN ND2 . 7377 1 388 . 1 1 56 56 VAL H H 1 8.173 0.020 . 1 . . . . 56 VAL H . 7377 1 389 . 1 1 56 56 VAL HG11 H 1 0.846 0.020 . 2 . . . . 56 VAL HG1 . 7377 1 390 . 1 1 56 56 VAL HG12 H 1 0.846 0.020 . 2 . . . . 56 VAL HG1 . 7377 1 391 . 1 1 56 56 VAL HG13 H 1 0.846 0.020 . 2 . . . . 56 VAL HG1 . 7377 1 392 . 1 1 56 56 VAL HG21 H 1 0.851 0.020 . 2 . . . . 56 VAL HG2 . 7377 1 393 . 1 1 56 56 VAL HG22 H 1 0.851 0.020 . 2 . . . . 56 VAL HG2 . 7377 1 394 . 1 1 56 56 VAL HG23 H 1 0.851 0.020 . 2 . . . . 56 VAL HG2 . 7377 1 395 . 1 1 56 56 VAL C C 13 178.132 0.400 . 1 . . . . 56 VAL C . 7377 1 396 . 1 1 56 56 VAL CA C 13 68.185 0.400 . 1 . . . . 56 VAL CA . 7377 1 397 . 1 1 56 56 VAL CB C 13 29.881 0.400 . 1 . . . . 56 VAL CB . 7377 1 398 . 1 1 56 56 VAL CG1 C 13 25.771 0.400 . 1 . . . . 56 VAL CG1 . 7377 1 399 . 1 1 56 56 VAL CG2 C 13 25.576 0.400 . 1 . . . . 56 VAL CG2 . 7377 1 400 . 1 1 56 56 VAL N N 15 118.801 0.400 . 1 . . . . 56 VAL N . 7377 1 401 . 1 1 57 57 SER H H 1 8.637 0.020 . 1 . . . . 57 SER H . 7377 1 402 . 1 1 57 57 SER C C 13 178.202 0.400 . 1 . . . . 57 SER C . 7377 1 403 . 1 1 57 57 SER CA C 13 64.804 0.400 . 1 . . . . 57 SER CA . 7377 1 404 . 1 1 57 57 SER CB C 13 62.407 0.400 . 1 . . . . 57 SER CB . 7377 1 405 . 1 1 57 57 SER N N 15 116.063 0.400 . 1 . . . . 57 SER N . 7377 1 406 . 1 1 58 58 HIS H H 1 8.246 0.020 . 1 . . . . 58 HIS H . 7377 1 407 . 1 1 58 58 HIS C C 13 177.768 0.400 . 1 . . . . 58 HIS C . 7377 1 408 . 1 1 58 58 HIS CA C 13 59.656 0.400 . 1 . . . . 58 HIS CA . 7377 1 409 . 1 1 58 58 HIS CB C 13 27.280 0.400 . 1 . . . . 58 HIS CB . 7377 1 410 . 1 1 58 58 HIS N N 15 121.222 0.400 . 1 . . . . 58 HIS N . 7377 1 411 . 1 1 59 59 GLN H H 1 8.544 0.020 . 1 . . . . 59 GLN H . 7377 1 412 . 1 1 59 59 GLN C C 13 179.297 0.400 . 1 . . . . 59 GLN C . 7377 1 413 . 1 1 59 59 GLN CA C 13 57.226 0.400 . 1 . . . . 59 GLN CA . 7377 1 414 . 1 1 59 59 GLN CB C 13 26.753 0.400 . 1 . . . . 59 GLN CB . 7377 1 415 . 1 1 59 59 GLN N N 15 119.816 0.400 . 1 . . . . 59 GLN N . 7377 1 416 . 1 1 60 60 LEU H H 1 8.875 0.020 . 1 . . . . 60 LEU H . 7377 1 417 . 1 1 60 60 LEU HD11 H 1 -0.170 0.020 . 2 . . . . 60 LEU HD1 . 7377 1 418 . 1 1 60 60 LEU HD12 H 1 -0.170 0.020 . 2 . . . . 60 LEU HD1 . 7377 1 419 . 1 1 60 60 LEU HD13 H 1 -0.170 0.020 . 2 . . . . 60 LEU HD1 . 7377 1 420 . 1 1 60 60 LEU HD21 H 1 0.382 0.020 . 2 . . . . 60 LEU HD2 . 7377 1 421 . 1 1 60 60 LEU HD22 H 1 0.382 0.020 . 2 . . . . 60 LEU HD2 . 7377 1 422 . 1 1 60 60 LEU HD23 H 1 0.382 0.020 . 2 . . . . 60 LEU HD2 . 7377 1 423 . 1 1 60 60 LEU C C 13 178.847 0.400 . 1 . . . . 60 LEU C . 7377 1 424 . 1 1 60 60 LEU CA C 13 57.222 0.400 . 1 . . . . 60 LEU CA . 7377 1 425 . 1 1 60 60 LEU CB C 13 39.419 0.400 . 1 . . . . 60 LEU CB . 7377 1 426 . 1 1 60 60 LEU CD1 C 13 26.394 0.400 . 1 . . . . 60 LEU CD1 . 7377 1 427 . 1 1 60 60 LEU CD2 C 13 21.546 0.400 . 1 . . . . 60 LEU CD2 . 7377 1 428 . 1 1 60 60 LEU N N 15 119.322 0.400 . 1 . . . . 60 LEU N . 7377 1 429 . 1 1 61 61 LYS H H 1 7.567 0.020 . 1 . . . . 61 LYS H . 7377 1 430 . 1 1 61 61 LYS C C 13 179.399 0.400 . 1 . . . . 61 LYS C . 7377 1 431 . 1 1 61 61 LYS CA C 13 59.434 0.400 . 1 . . . . 61 LYS CA . 7377 1 432 . 1 1 61 61 LYS CB C 13 31.235 0.400 . 1 . . . . 61 LYS CB . 7377 1 433 . 1 1 61 61 LYS N N 15 120.831 0.400 . 1 . . . . 61 LYS N . 7377 1 434 . 1 1 62 62 LEU H H 1 7.136 0.020 . 1 . . . . 62 LEU H . 7377 1 435 . 1 1 62 62 LEU HD11 H 1 0.992 0.020 . 2 . . . . 62 LEU HD1 . 7377 1 436 . 1 1 62 62 LEU HD12 H 1 0.992 0.020 . 2 . . . . 62 LEU HD1 . 7377 1 437 . 1 1 62 62 LEU HD13 H 1 0.992 0.020 . 2 . . . . 62 LEU HD1 . 7377 1 438 . 1 1 62 62 LEU HD21 H 1 0.893 0.020 . 2 . . . . 62 LEU HD2 . 7377 1 439 . 1 1 62 62 LEU HD22 H 1 0.893 0.020 . 2 . . . . 62 LEU HD2 . 7377 1 440 . 1 1 62 62 LEU HD23 H 1 0.893 0.020 . 2 . . . . 62 LEU HD2 . 7377 1 441 . 1 1 62 62 LEU C C 13 180.826 0.400 . 1 . . . . 62 LEU C . 7377 1 442 . 1 1 62 62 LEU CA C 13 58.223 0.400 . 1 . . . . 62 LEU CA . 7377 1 443 . 1 1 62 62 LEU CB C 13 40.933 0.400 . 1 . . . . 62 LEU CB . 7377 1 444 . 1 1 62 62 LEU CD1 C 13 25.104 0.400 . 1 . . . . 62 LEU CD1 . 7377 1 445 . 1 1 62 62 LEU CD2 C 13 23.782 0.400 . 1 . . . . 62 LEU CD2 . 7377 1 446 . 1 1 62 62 LEU N N 15 122.052 0.400 . 1 . . . . 62 LEU N . 7377 1 447 . 1 1 63 63 LEU H H 1 8.134 0.020 . 1 . . . . 63 LEU H . 7377 1 448 . 1 1 63 63 LEU HD11 H 1 0.758 0.020 . 2 . . . . 63 LEU HD1 . 7377 1 449 . 1 1 63 63 LEU HD12 H 1 0.758 0.020 . 2 . . . . 63 LEU HD1 . 7377 1 450 . 1 1 63 63 LEU HD13 H 1 0.758 0.020 . 2 . . . . 63 LEU HD1 . 7377 1 451 . 1 1 63 63 LEU HD21 H 1 0.908 0.020 . 2 . . . . 63 LEU HD2 . 7377 1 452 . 1 1 63 63 LEU HD22 H 1 0.908 0.020 . 2 . . . . 63 LEU HD2 . 7377 1 453 . 1 1 63 63 LEU HD23 H 1 0.908 0.020 . 2 . . . . 63 LEU HD2 . 7377 1 454 . 1 1 63 63 LEU C C 13 179.274 0.400 . 1 . . . . 63 LEU C . 7377 1 455 . 1 1 63 63 LEU CA C 13 57.509 0.400 . 1 . . . . 63 LEU CA . 7377 1 456 . 1 1 63 63 LEU CB C 13 41.963 0.400 . 1 . . . . 63 LEU CB . 7377 1 457 . 1 1 63 63 LEU CD1 C 13 24.753 0.400 . 1 . . . . 63 LEU CD1 . 7377 1 458 . 1 1 63 63 LEU CD2 C 13 22.979 0.400 . 1 . . . . 63 LEU CD2 . 7377 1 459 . 1 1 63 63 LEU N N 15 119.032 0.400 . 1 . . . . 63 LEU N . 7377 1 460 . 1 1 64 64 LYS H H 1 8.954 0.020 . 1 . . . . 64 LYS H . 7377 1 461 . 1 1 64 64 LYS C C 13 180.839 0.400 . 1 . . . . 64 LYS C . 7377 1 462 . 1 1 64 64 LYS CA C 13 59.241 0.400 . 1 . . . . 64 LYS CA . 7377 1 463 . 1 1 64 64 LYS CB C 13 31.938 0.400 . 1 . . . . 64 LYS CB . 7377 1 464 . 1 1 64 64 LYS N N 15 123.177 0.400 . 1 . . . . 64 LYS N . 7377 1 465 . 1 1 65 65 SER H H 1 8.163 0.020 . 1 . . . . 65 SER H . 7377 1 466 . 1 1 65 65 SER C C 13 175.337 0.400 . 1 . . . . 65 SER C . 7377 1 467 . 1 1 65 65 SER CA C 13 61.637 0.400 . 1 . . . . 65 SER CA . 7377 1 468 . 1 1 65 65 SER CB C 13 62.355 0.400 . 1 . . . . 65 SER CB . 7377 1 469 . 1 1 65 65 SER N N 15 118.963 0.400 . 1 . . . . 65 SER N . 7377 1 470 . 1 1 66 66 VAL H H 1 6.781 0.020 . 1 . . . . 66 VAL H . 7377 1 471 . 1 1 66 66 VAL HG11 H 1 0.962 0.020 . 2 . . . . 66 VAL HG1 . 7377 1 472 . 1 1 66 66 VAL HG12 H 1 0.962 0.020 . 2 . . . . 66 VAL HG1 . 7377 1 473 . 1 1 66 66 VAL HG13 H 1 0.962 0.020 . 2 . . . . 66 VAL HG1 . 7377 1 474 . 1 1 66 66 VAL HG21 H 1 0.968 0.020 . 2 . . . . 66 VAL HG2 . 7377 1 475 . 1 1 66 66 VAL HG22 H 1 0.968 0.020 . 2 . . . . 66 VAL HG2 . 7377 1 476 . 1 1 66 66 VAL HG23 H 1 0.968 0.020 . 2 . . . . 66 VAL HG2 . 7377 1 477 . 1 1 66 66 VAL C C 13 174.757 0.400 . 1 . . . . 66 VAL C . 7377 1 478 . 1 1 66 66 VAL CA C 13 60.253 0.400 . 1 . . . . 66 VAL CA . 7377 1 479 . 1 1 66 66 VAL CB C 13 30.223 0.400 . 1 . . . . 66 VAL CB . 7377 1 480 . 1 1 66 66 VAL CG1 C 13 22.297 0.400 . 1 . . . . 66 VAL CG1 . 7377 1 481 . 1 1 66 66 VAL CG2 C 13 20.232 0.400 . 1 . . . . 66 VAL CG2 . 7377 1 482 . 1 1 66 66 VAL N N 15 111.567 0.400 . 1 . . . . 66 VAL N . 7377 1 483 . 1 1 67 67 HIS H H 1 7.936 0.020 . 1 . . . . 67 HIS H . 7377 1 484 . 1 1 67 67 HIS C C 13 174.031 0.400 . 1 . . . . 67 HIS C . 7377 1 485 . 1 1 67 67 HIS CA C 13 56.388 0.400 . 1 . . . . 67 HIS CA . 7377 1 486 . 1 1 67 67 HIS CB C 13 24.713 0.400 . 1 . . . . 67 HIS CB . 7377 1 487 . 1 1 67 67 HIS N N 15 114.310 0.400 . 1 . . . . 67 HIS N . 7377 1 488 . 1 1 68 68 LEU H H 1 8.349 0.020 . 1 . . . . 68 LEU H . 7377 1 489 . 1 1 68 68 LEU HD11 H 1 0.851 0.020 . 2 . . . . 68 LEU HD1 . 7377 1 490 . 1 1 68 68 LEU HD12 H 1 0.851 0.020 . 2 . . . . 68 LEU HD1 . 7377 1 491 . 1 1 68 68 LEU HD13 H 1 0.851 0.020 . 2 . . . . 68 LEU HD1 . 7377 1 492 . 1 1 68 68 LEU HD21 H 1 0.851 0.020 . 2 . . . . 68 LEU HD2 . 7377 1 493 . 1 1 68 68 LEU HD22 H 1 0.851 0.020 . 2 . . . . 68 LEU HD2 . 7377 1 494 . 1 1 68 68 LEU HD23 H 1 0.851 0.020 . 2 . . . . 68 LEU HD2 . 7377 1 495 . 1 1 68 68 LEU C C 13 179.160 0.400 . 1 . . . . 68 LEU C . 7377 1 496 . 1 1 68 68 LEU CA C 13 56.315 0.400 . 1 . . . . 68 LEU CA . 7377 1 497 . 1 1 68 68 LEU CB C 13 40.763 0.400 . 1 . . . . 68 LEU CB . 7377 1 498 . 1 1 68 68 LEU CD1 C 13 24.703 0.400 . 1 . . . . 68 LEU CD1 . 7377 1 499 . 1 1 68 68 LEU CD2 C 13 25.930 0.400 . 1 . . . . 68 LEU CD2 . 7377 1 500 . 1 1 68 68 LEU N N 15 115.514 0.400 . 1 . . . . 68 LEU N . 7377 1 501 . 1 1 69 69 VAL H H 1 7.064 0.020 . 1 . . . . 69 VAL H . 7377 1 502 . 1 1 69 69 VAL HG11 H 1 0.810 0.020 . 2 . . . . 69 VAL HG1 . 7377 1 503 . 1 1 69 69 VAL HG12 H 1 0.810 0.020 . 2 . . . . 69 VAL HG1 . 7377 1 504 . 1 1 69 69 VAL HG13 H 1 0.810 0.020 . 2 . . . . 69 VAL HG1 . 7377 1 505 . 1 1 69 69 VAL HG21 H 1 0.759 0.020 . 2 . . . . 69 VAL HG2 . 7377 1 506 . 1 1 69 69 VAL HG22 H 1 0.759 0.020 . 2 . . . . 69 VAL HG2 . 7377 1 507 . 1 1 69 69 VAL HG23 H 1 0.759 0.020 . 2 . . . . 69 VAL HG2 . 7377 1 508 . 1 1 69 69 VAL C C 13 173.084 0.400 . 1 . . . . 69 VAL C . 7377 1 509 . 1 1 69 69 VAL CA C 13 57.555 0.400 . 1 . . . . 69 VAL CA . 7377 1 510 . 1 1 69 69 VAL CB C 13 35.032 0.400 . 1 . . . . 69 VAL CB . 7377 1 511 . 1 1 69 69 VAL CG1 C 13 22.683 0.400 . 1 . . . . 69 VAL CG1 . 7377 1 512 . 1 1 69 69 VAL CG2 C 13 19.700 0.400 . 1 . . . . 69 VAL CG2 . 7377 1 513 . 1 1 69 69 VAL N N 15 109.145 0.400 . 1 . . . . 69 VAL N . 7377 1 514 . 1 1 70 70 LYS H H 1 9.206 0.020 . 1 . . . . 70 LYS H . 7377 1 515 . 1 1 70 70 LYS C C 13 172.074 0.400 . 1 . . . . 70 LYS C . 7377 1 516 . 1 1 70 70 LYS CA C 13 53.991 0.400 . 1 . . . . 70 LYS CA . 7377 1 517 . 1 1 70 70 LYS CB C 13 35.017 0.400 . 1 . . . . 70 LYS CB . 7377 1 518 . 1 1 70 70 LYS N N 15 119.932 0.400 . 1 . . . . 70 LYS N . 7377 1 519 . 1 1 71 71 ALA H H 1 8.183 0.020 . 1 . . . . 71 ALA H . 7377 1 520 . 1 1 71 71 ALA C C 13 176.552 0.400 . 1 . . . . 71 ALA C . 7377 1 521 . 1 1 71 71 ALA CA C 13 50.053 0.400 . 1 . . . . 71 ALA CA . 7377 1 522 . 1 1 71 71 ALA CB C 13 21.483 0.400 . 1 . . . . 71 ALA CB . 7377 1 523 . 1 1 71 71 ALA N N 15 120.797 0.400 . 1 . . . . 71 ALA N . 7377 1 524 . 1 1 72 72 LYS H H 1 8.279 0.020 . 1 . . . . 72 LYS H . 7377 1 525 . 1 1 72 72 LYS C C 13 174.087 0.400 . 1 . . . . 72 LYS C . 7377 1 526 . 1 1 72 72 LYS CA C 13 54.014 0.400 . 1 . . . . 72 LYS CA . 7377 1 527 . 1 1 72 72 LYS CB C 13 34.594 0.400 . 1 . . . . 72 LYS CB . 7377 1 528 . 1 1 72 72 LYS N N 15 121.136 0.400 . 1 . . . . 72 LYS N . 7377 1 529 . 1 1 73 73 ARG H H 1 8.462 0.020 . 1 . . . . 73 ARG H . 7377 1 530 . 1 1 73 73 ARG C C 13 176.797 0.400 . 1 . . . . 73 ARG C . 7377 1 531 . 1 1 73 73 ARG CA C 13 56.131 0.400 . 1 . . . . 73 ARG CA . 7377 1 532 . 1 1 73 73 ARG CB C 13 29.835 0.400 . 1 . . . . 73 ARG CB . 7377 1 533 . 1 1 73 73 ARG N N 15 126.879 0.400 . 1 . . . . 73 ARG N . 7377 1 534 . 1 1 74 74 GLN H H 1 8.722 0.020 . 1 . . . . 74 GLN H . 7377 1 535 . 1 1 74 74 GLN HE21 H 1 7.467 0.020 . 2 . . . . 74 GLN HE21 . 7377 1 536 . 1 1 74 74 GLN HE22 H 1 6.798 0.020 . 2 . . . . 74 GLN HE22 . 7377 1 537 . 1 1 74 74 GLN C C 13 174.975 0.400 . 1 . . . . 74 GLN C . 7377 1 538 . 1 1 74 74 GLN CA C 13 54.426 0.400 . 1 . . . . 74 GLN CA . 7377 1 539 . 1 1 74 74 GLN CB C 13 29.876 0.400 . 1 . . . . 74 GLN CB . 7377 1 540 . 1 1 74 74 GLN N N 15 130.079 0.400 . 1 . . . . 74 GLN N . 7377 1 541 . 1 1 74 74 GLN NE2 N 15 111.335 0.400 . 1 . . . . 74 GLN NE2 . 7377 1 542 . 1 1 75 75 GLY H H 1 8.841 0.020 . 1 . . . . 75 GLY H . 7377 1 543 . 1 1 75 75 GLY C C 13 174.465 0.400 . 1 . . . . 75 GLY C . 7377 1 544 . 1 1 75 75 GLY CA C 13 46.634 0.400 . 1 . . . . 75 GLY CA . 7377 1 545 . 1 1 75 75 GLY N N 15 117.759 0.400 . 1 . . . . 75 GLY N . 7377 1 546 . 1 1 76 76 GLN H H 1 8.923 0.020 . 1 . . . . 76 GLN H . 7377 1 547 . 1 1 76 76 GLN C C 13 175.954 0.400 . 1 . . . . 76 GLN C . 7377 1 548 . 1 1 76 76 GLN CA C 13 57.245 0.400 . 1 . . . . 76 GLN CA . 7377 1 549 . 1 1 76 76 GLN CB C 13 28.462 0.400 . 1 . . . . 76 GLN CB . 7377 1 550 . 1 1 76 76 GLN N N 15 125.862 0.400 . 1 . . . . 76 GLN N . 7377 1 551 . 1 1 77 77 SER H H 1 7.848 0.020 . 1 . . . . 77 SER H . 7377 1 552 . 1 1 77 77 SER C C 13 172.979 0.400 . 1 . . . . 77 SER C . 7377 1 553 . 1 1 77 77 SER CA C 13 57.194 0.400 . 1 . . . . 77 SER CA . 7377 1 554 . 1 1 77 77 SER CB C 13 64.762 0.400 . 1 . . . . 77 SER CB . 7377 1 555 . 1 1 77 77 SER N N 15 113.695 0.400 . 1 . . . . 77 SER N . 7377 1 556 . 1 1 78 78 MET H H 1 9.631 0.020 . 1 . . . . 78 MET H . 7377 1 557 . 1 1 78 78 MET C C 13 173.493 0.400 . 1 . . . . 78 MET C . 7377 1 558 . 1 1 78 78 MET CA C 13 53.126 0.400 . 1 . . . . 78 MET CA . 7377 1 559 . 1 1 78 78 MET CB C 13 33.625 0.400 . 1 . . . . 78 MET CB . 7377 1 560 . 1 1 78 78 MET N N 15 124.504 0.400 . 1 . . . . 78 MET N . 7377 1 561 . 1 1 79 79 ILE H H 1 8.633 0.020 . 1 . . . . 79 ILE H . 7377 1 562 . 1 1 79 79 ILE HD11 H 1 0.658 0.020 . 1 . . . . 79 ILE HD1 . 7377 1 563 . 1 1 79 79 ILE HD12 H 1 0.658 0.020 . 1 . . . . 79 ILE HD1 . 7377 1 564 . 1 1 79 79 ILE HD13 H 1 0.658 0.020 . 1 . . . . 79 ILE HD1 . 7377 1 565 . 1 1 79 79 ILE C C 13 177.110 0.400 . 1 . . . . 79 ILE C . 7377 1 566 . 1 1 79 79 ILE CA C 13 58.427 0.400 . 1 . . . . 79 ILE CA . 7377 1 567 . 1 1 79 79 ILE CB C 13 35.547 0.400 . 1 . . . . 79 ILE CB . 7377 1 568 . 1 1 79 79 ILE CD1 C 13 10.223 0.400 . 1 . . . . 79 ILE CD1 . 7377 1 569 . 1 1 79 79 ILE N N 15 123.450 0.400 . 1 . . . . 79 ILE N . 7377 1 570 . 1 1 80 80 TYR H H 1 9.110 0.020 . 1 . . . . 80 TYR H . 7377 1 571 . 1 1 80 80 TYR C C 13 174.235 0.400 . 1 . . . . 80 TYR C . 7377 1 572 . 1 1 80 80 TYR CA C 13 57.313 0.400 . 1 . . . . 80 TYR CA . 7377 1 573 . 1 1 80 80 TYR CB C 13 41.183 0.400 . 1 . . . . 80 TYR CB . 7377 1 574 . 1 1 80 80 TYR N N 15 131.959 0.400 . 1 . . . . 80 TYR N . 7377 1 575 . 1 1 81 81 SER H H 1 8.700 0.020 . 1 . . . . 81 SER H . 7377 1 576 . 1 1 81 81 SER C C 13 174.472 0.400 . 1 . . . . 81 SER C . 7377 1 577 . 1 1 81 81 SER CA C 13 55.932 0.400 . 1 . . . . 81 SER CA . 7377 1 578 . 1 1 81 81 SER CB C 13 66.048 0.400 . 1 . . . . 81 SER CB . 7377 1 579 . 1 1 81 81 SER N N 15 109.757 0.400 . 1 . . . . 81 SER N . 7377 1 580 . 1 1 82 82 LEU H H 1 8.797 0.020 . 1 . . . . 82 LEU H . 7377 1 581 . 1 1 82 82 LEU HD11 H 1 0.919 0.020 . 2 . . . . 82 LEU HD1 . 7377 1 582 . 1 1 82 82 LEU HD12 H 1 0.919 0.020 . 2 . . . . 82 LEU HD1 . 7377 1 583 . 1 1 82 82 LEU HD13 H 1 0.919 0.020 . 2 . . . . 82 LEU HD1 . 7377 1 584 . 1 1 82 82 LEU C C 13 177.092 0.400 . 1 . . . . 82 LEU C . 7377 1 585 . 1 1 82 82 LEU CA C 13 55.842 0.400 . 1 . . . . 82 LEU CA . 7377 1 586 . 1 1 82 82 LEU CB C 13 41.438 0.400 . 1 . . . . 82 LEU CB . 7377 1 587 . 1 1 82 82 LEU CD1 C 13 23.433 0.400 . 1 . . . . 82 LEU CD1 . 7377 1 588 . 1 1 82 82 LEU N N 15 119.759 0.400 . 1 . . . . 82 LEU N . 7377 1 589 . 1 1 83 83 ASP H H 1 7.756 0.020 . 1 . . . . 83 ASP H . 7377 1 590 . 1 1 83 83 ASP C C 13 175.300 0.400 . 1 . . . . 83 ASP C . 7377 1 591 . 1 1 83 83 ASP CA C 13 55.772 0.400 . 1 . . . . 83 ASP CA . 7377 1 592 . 1 1 83 83 ASP CB C 13 41.527 0.400 . 1 . . . . 83 ASP CB . 7377 1 593 . 1 1 83 83 ASP N N 15 120.730 0.400 . 1 . . . . 83 ASP N . 7377 1 594 . 1 1 84 84 ASP H H 1 6.978 0.020 . 1 . . . . 84 ASP H . 7377 1 595 . 1 1 84 84 ASP C C 13 177.486 0.400 . 1 . . . . 84 ASP C . 7377 1 596 . 1 1 84 84 ASP CA C 13 54.739 0.400 . 1 . . . . 84 ASP CA . 7377 1 597 . 1 1 84 84 ASP CB C 13 41.229 0.400 . 1 . . . . 84 ASP CB . 7377 1 598 . 1 1 84 84 ASP N N 15 114.024 0.400 . 1 . . . . 84 ASP N . 7377 1 599 . 1 1 85 85 ILE H H 1 8.452 0.020 . 1 . . . . 85 ILE H . 7377 1 600 . 1 1 85 85 ILE HG21 H 1 0.778 0.020 . 1 . . . . 85 ILE HG2 . 7377 1 601 . 1 1 85 85 ILE HG22 H 1 0.778 0.020 . 1 . . . . 85 ILE HG2 . 7377 1 602 . 1 1 85 85 ILE HG23 H 1 0.778 0.020 . 1 . . . . 85 ILE HG2 . 7377 1 603 . 1 1 85 85 ILE HD11 H 1 0.755 0.020 . 1 . . . . 85 ILE HD1 . 7377 1 604 . 1 1 85 85 ILE HD12 H 1 0.755 0.020 . 1 . . . . 85 ILE HD1 . 7377 1 605 . 1 1 85 85 ILE HD13 H 1 0.755 0.020 . 1 . . . . 85 ILE HD1 . 7377 1 606 . 1 1 85 85 ILE C C 13 177.933 0.400 . 1 . . . . 85 ILE C . 7377 1 607 . 1 1 85 85 ILE CA C 13 61.931 0.400 . 1 . . . . 85 ILE CA . 7377 1 608 . 1 1 85 85 ILE CB C 13 37.045 0.400 . 1 . . . . 85 ILE CB . 7377 1 609 . 1 1 85 85 ILE CG2 C 13 17.102 0.400 . 1 . . . . 85 ILE CG2 . 7377 1 610 . 1 1 85 85 ILE CD1 C 13 12.432 0.400 . 1 . . . . 85 ILE CD1 . 7377 1 611 . 1 1 85 85 ILE N N 15 127.233 0.400 . 1 . . . . 85 ILE N . 7377 1 612 . 1 1 86 86 HIS H H 1 8.226 0.020 . 1 . . . . 86 HIS H . 7377 1 613 . 1 1 86 86 HIS C C 13 178.702 0.400 . 1 . . . . 86 HIS C . 7377 1 614 . 1 1 86 86 HIS CA C 13 58.896 0.400 . 1 . . . . 86 HIS CA . 7377 1 615 . 1 1 86 86 HIS CB C 13 27.517 0.400 . 1 . . . . 86 HIS CB . 7377 1 616 . 1 1 86 86 HIS N N 15 123.565 0.400 . 1 . . . . 86 HIS N . 7377 1 617 . 1 1 87 87 VAL H H 1 8.112 0.020 . 1 . . . . 87 VAL H . 7377 1 618 . 1 1 87 87 VAL HG11 H 1 0.878 0.020 . 2 . . . . 87 VAL HG1 . 7377 1 619 . 1 1 87 87 VAL HG12 H 1 0.878 0.020 . 2 . . . . 87 VAL HG1 . 7377 1 620 . 1 1 87 87 VAL HG13 H 1 0.878 0.020 . 2 . . . . 87 VAL HG1 . 7377 1 621 . 1 1 87 87 VAL HG21 H 1 0.998 0.020 . 2 . . . . 87 VAL HG2 . 7377 1 622 . 1 1 87 87 VAL HG22 H 1 0.998 0.020 . 2 . . . . 87 VAL HG2 . 7377 1 623 . 1 1 87 87 VAL HG23 H 1 0.998 0.020 . 2 . . . . 87 VAL HG2 . 7377 1 624 . 1 1 87 87 VAL C C 13 177.222 0.400 . 1 . . . . 87 VAL C . 7377 1 625 . 1 1 87 87 VAL CA C 13 65.740 0.400 . 1 . . . . 87 VAL CA . 7377 1 626 . 1 1 87 87 VAL CB C 13 30.493 0.400 . 1 . . . . 87 VAL CB . 7377 1 627 . 1 1 87 87 VAL CG1 C 13 22.107 0.400 . 1 . . . . 87 VAL CG1 . 7377 1 628 . 1 1 87 87 VAL CG2 C 13 22.878 0.400 . 1 . . . . 87 VAL CG2 . 7377 1 629 . 1 1 87 87 VAL N N 15 121.729 0.400 . 1 . . . . 87 VAL N . 7377 1 630 . 1 1 88 88 ALA H H 1 7.526 0.020 . 1 . . . . 88 ALA H . 7377 1 631 . 1 1 88 88 ALA C C 13 180.430 0.400 . 1 . . . . 88 ALA C . 7377 1 632 . 1 1 88 88 ALA CA C 13 55.474 0.400 . 1 . . . . 88 ALA CA . 7377 1 633 . 1 1 88 88 ALA CB C 13 17.793 0.400 . 1 . . . . 88 ALA CB . 7377 1 634 . 1 1 88 88 ALA N N 15 122.297 0.400 . 1 . . . . 88 ALA N . 7377 1 635 . 1 1 89 89 THR H H 1 8.083 0.020 . 1 . . . . 89 THR H . 7377 1 636 . 1 1 89 89 THR C C 13 175.657 0.400 . 1 . . . . 89 THR C . 7377 1 637 . 1 1 89 89 THR CA C 13 66.329 0.400 . 1 . . . . 89 THR CA . 7377 1 638 . 1 1 89 89 THR CB C 13 68.266 0.400 . 1 . . . . 89 THR CB . 7377 1 639 . 1 1 89 89 THR N N 15 115.992 0.400 . 1 . . . . 89 THR N . 7377 1 640 . 1 1 90 90 MET H H 1 7.898 0.020 . 1 . . . . 90 MET H . 7377 1 641 . 1 1 90 90 MET C C 13 178.563 0.400 . 1 . . . . 90 MET C . 7377 1 642 . 1 1 90 90 MET CA C 13 58.841 0.400 . 1 . . . . 90 MET CA . 7377 1 643 . 1 1 90 90 MET CB C 13 32.387 0.400 . 1 . . . . 90 MET CB . 7377 1 644 . 1 1 90 90 MET N N 15 124.006 0.400 . 1 . . . . 90 MET N . 7377 1 645 . 1 1 91 91 LEU H H 1 8.403 0.020 . 1 . . . . 91 LEU H . 7377 1 646 . 1 1 91 91 LEU HD11 H 1 1.087 0.020 . 2 . . . . 91 LEU HD1 . 7377 1 647 . 1 1 91 91 LEU HD12 H 1 1.087 0.020 . 2 . . . . 91 LEU HD1 . 7377 1 648 . 1 1 91 91 LEU HD13 H 1 1.087 0.020 . 2 . . . . 91 LEU HD1 . 7377 1 649 . 1 1 91 91 LEU HD21 H 1 0.955 0.020 . 2 . . . . 91 LEU HD2 . 7377 1 650 . 1 1 91 91 LEU HD22 H 1 0.955 0.020 . 2 . . . . 91 LEU HD2 . 7377 1 651 . 1 1 91 91 LEU HD23 H 1 0.955 0.020 . 2 . . . . 91 LEU HD2 . 7377 1 652 . 1 1 91 91 LEU C C 13 177.713 0.400 . 1 . . . . 91 LEU C . 7377 1 653 . 1 1 91 91 LEU CA C 13 58.159 0.400 . 1 . . . . 91 LEU CA . 7377 1 654 . 1 1 91 91 LEU CB C 13 40.851 0.400 . 1 . . . . 91 LEU CB . 7377 1 655 . 1 1 91 91 LEU CD1 C 13 24.256 0.400 . 1 . . . . 91 LEU CD1 . 7377 1 656 . 1 1 91 91 LEU CD2 C 13 26.132 0.400 . 1 . . . . 91 LEU CD2 . 7377 1 657 . 1 1 91 91 LEU N N 15 120.623 0.400 . 1 . . . . 91 LEU N . 7377 1 658 . 1 1 92 92 LYS H H 1 7.802 0.020 . 1 . . . . 92 LYS H . 7377 1 659 . 1 1 92 92 LYS C C 13 180.002 0.400 . 1 . . . . 92 LYS C . 7377 1 660 . 1 1 92 92 LYS CA C 13 59.444 0.400 . 1 . . . . 92 LYS CA . 7377 1 661 . 1 1 92 92 LYS CB C 13 31.325 0.400 . 1 . . . . 92 LYS CB . 7377 1 662 . 1 1 92 92 LYS N N 15 118.940 0.400 . 1 . . . . 92 LYS N . 7377 1 663 . 1 1 93 93 GLN H H 1 8.291 0.020 . 1 . . . . 93 GLN H . 7377 1 664 . 1 1 93 93 GLN HE21 H 1 7.328 0.020 . 2 . . . . 93 GLN HE21 . 7377 1 665 . 1 1 93 93 GLN HE22 H 1 6.823 0.020 . 2 . . . . 93 GLN HE22 . 7377 1 666 . 1 1 93 93 GLN C C 13 178.752 0.400 . 1 . . . . 93 GLN C . 7377 1 667 . 1 1 93 93 GLN CA C 13 58.337 0.400 . 1 . . . . 93 GLN CA . 7377 1 668 . 1 1 93 93 GLN CB C 13 27.587 0.400 . 1 . . . . 93 GLN CB . 7377 1 669 . 1 1 93 93 GLN N N 15 119.191 0.400 . 1 . . . . 93 GLN N . 7377 1 670 . 1 1 93 93 GLN NE2 N 15 110.751 0.400 . 1 . . . . 93 GLN NE2 . 7377 1 671 . 1 1 94 94 ALA H H 1 8.504 0.020 . 1 . . . . 94 ALA H . 7377 1 672 . 1 1 94 94 ALA C C 13 180.479 0.400 . 1 . . . . 94 ALA C . 7377 1 673 . 1 1 94 94 ALA CA C 13 54.915 0.400 . 1 . . . . 94 ALA CA . 7377 1 674 . 1 1 94 94 ALA CB C 13 17.399 0.400 . 1 . . . . 94 ALA CB . 7377 1 675 . 1 1 94 94 ALA N N 15 124.540 0.400 . 1 . . . . 94 ALA N . 7377 1 676 . 1 1 95 95 ILE H H 1 8.341 0.020 . 1 . . . . 95 ILE H . 7377 1 677 . 1 1 95 95 ILE HD11 H 1 0.771 0.020 . 1 . . . . 95 ILE HD1 . 7377 1 678 . 1 1 95 95 ILE HD12 H 1 0.771 0.020 . 1 . . . . 95 ILE HD1 . 7377 1 679 . 1 1 95 95 ILE HD13 H 1 0.771 0.020 . 1 . . . . 95 ILE HD1 . 7377 1 680 . 1 1 95 95 ILE C C 13 177.432 0.400 . 1 . . . . 95 ILE C . 7377 1 681 . 1 1 95 95 ILE CA C 13 65.096 0.400 . 1 . . . . 95 ILE CA . 7377 1 682 . 1 1 95 95 ILE CB C 13 37.281 0.400 . 1 . . . . 95 ILE CB . 7377 1 683 . 1 1 95 95 ILE CD1 C 13 13.429 0.400 . 1 . . . . 95 ILE CD1 . 7377 1 684 . 1 1 95 95 ILE N N 15 119.776 0.400 . 1 . . . . 95 ILE N . 7377 1 685 . 1 1 96 96 HIS H H 1 8.022 0.020 . 1 . . . . 96 HIS H . 7377 1 686 . 1 1 96 96 HIS C C 13 177.908 0.400 . 1 . . . . 96 HIS C . 7377 1 687 . 1 1 96 96 HIS CA C 13 58.920 0.400 . 1 . . . . 96 HIS CA . 7377 1 688 . 1 1 96 96 HIS CB C 13 28.461 0.400 . 1 . . . . 96 HIS CB . 7377 1 689 . 1 1 96 96 HIS N N 15 117.952 0.400 . 1 . . . . 96 HIS N . 7377 1 690 . 1 1 97 97 HIS H H 1 8.182 0.020 . 1 . . . . 97 HIS H . 7377 1 691 . 1 1 97 97 HIS C C 13 176.096 0.400 . 1 . . . . 97 HIS C . 7377 1 692 . 1 1 97 97 HIS CA C 13 57.547 0.400 . 1 . . . . 97 HIS CA . 7377 1 693 . 1 1 97 97 HIS CB C 13 28.099 0.400 . 1 . . . . 97 HIS CB . 7377 1 694 . 1 1 97 97 HIS N N 15 116.911 0.400 . 1 . . . . 97 HIS N . 7377 1 695 . 1 1 98 98 ALA H H 1 7.788 0.020 . 1 . . . . 98 ALA H . 7377 1 696 . 1 1 98 98 ALA C C 13 177.570 0.400 . 1 . . . . 98 ALA C . 7377 1 697 . 1 1 98 98 ALA CA C 13 52.914 0.400 . 1 . . . . 98 ALA CA . 7377 1 698 . 1 1 98 98 ALA CB C 13 18.347 0.400 . 1 . . . . 98 ALA CB . 7377 1 699 . 1 1 98 98 ALA N N 15 120.903 0.400 . 1 . . . . 98 ALA N . 7377 1 700 . 1 1 99 99 ASN H H 1 7.505 0.020 . 1 . . . . 99 ASN H . 7377 1 701 . 1 1 99 99 ASN HD21 H 1 7.539 0.020 . 2 . . . . 99 ASN HD21 . 7377 1 702 . 1 1 99 99 ASN HD22 H 1 6.920 0.020 . 2 . . . . 99 ASN HD22 . 7377 1 703 . 1 1 99 99 ASN C C 13 174.575 0.400 . 1 . . . . 99 ASN C . 7377 1 704 . 1 1 99 99 ASN CA C 13 52.986 0.400 . 1 . . . . 99 ASN CA . 7377 1 705 . 1 1 99 99 ASN CB C 13 38.786 0.400 . 1 . . . . 99 ASN CB . 7377 1 706 . 1 1 99 99 ASN N N 15 116.356 0.400 . 1 . . . . 99 ASN N . 7377 1 707 . 1 1 99 99 ASN ND2 N 15 112.578 0.400 . 1 . . . . 99 ASN ND2 . 7377 1 708 . 1 1 100 100 HIS H H 1 7.682 0.020 . 1 . . . . 100 HIS H . 7377 1 709 . 1 1 100 100 HIS CA C 13 53.157 0.400 . 1 . . . . 100 HIS CA . 7377 1 710 . 1 1 100 100 HIS CB C 13 28.110 0.400 . 1 . . . . 100 HIS CB . 7377 1 711 . 1 1 100 100 HIS N N 15 118.964 0.400 . 1 . . . . 100 HIS N . 7377 1 712 . 1 1 101 101 PRO C C 13 177.175 0.400 . 1 . . . . 101 PRO C . 7377 1 713 . 1 1 101 101 PRO CA C 13 63.168 0.400 . 1 . . . . 101 PRO CA . 7377 1 714 . 1 1 101 101 PRO CB C 13 31.314 0.400 . 1 . . . . 101 PRO CB . 7377 1 715 . 1 1 102 102 LYS H H 1 8.317 0.020 . 1 . . . . 102 LYS H . 7377 1 716 . 1 1 102 102 LYS C C 13 176.878 0.400 . 1 . . . . 102 LYS C . 7377 1 717 . 1 1 102 102 LYS CA C 13 56.106 0.400 . 1 . . . . 102 LYS CA . 7377 1 718 . 1 1 102 102 LYS CB C 13 31.819 0.400 . 1 . . . . 102 LYS CB . 7377 1 719 . 1 1 102 102 LYS N N 15 121.361 0.400 . 1 . . . . 102 LYS N . 7377 1 720 . 1 1 103 103 GLU H H 1 8.284 0.020 . 1 . . . . 103 GLU H . 7377 1 721 . 1 1 103 103 GLU C C 13 176.516 0.400 . 1 . . . . 103 GLU C . 7377 1 722 . 1 1 103 103 GLU CA C 13 56.200 0.400 . 1 . . . . 103 GLU CA . 7377 1 723 . 1 1 103 103 GLU CB C 13 29.463 0.400 . 1 . . . . 103 GLU CB . 7377 1 724 . 1 1 103 103 GLU N N 15 122.282 0.400 . 1 . . . . 103 GLU N . 7377 1 725 . 1 1 104 104 SER H H 1 8.240 0.020 . 1 . . . . 104 SER H . 7377 1 726 . 1 1 104 104 SER C C 13 174.958 0.400 . 1 . . . . 104 SER C . 7377 1 727 . 1 1 104 104 SER CA C 13 58.273 0.400 . 1 . . . . 104 SER CA . 7377 1 728 . 1 1 104 104 SER CB C 13 63.388 0.400 . 1 . . . . 104 SER CB . 7377 1 729 . 1 1 104 104 SER N N 15 117.004 0.400 . 1 . . . . 104 SER N . 7377 1 730 . 1 1 105 105 GLY H H 1 8.281 0.020 . 1 . . . . 105 GLY H . 7377 1 731 . 1 1 105 105 GLY C C 13 173.194 0.400 . 1 . . . . 105 GLY C . 7377 1 732 . 1 1 105 105 GLY CA C 13 45.109 0.400 . 1 . . . . 105 GLY CA . 7377 1 733 . 1 1 105 105 GLY N N 15 111.477 0.400 . 1 . . . . 105 GLY N . 7377 1 734 . 1 1 106 106 LEU H H 1 7.610 0.020 . 1 . . . . 106 LEU H . 7377 1 735 . 1 1 106 106 LEU HD11 H 1 0.875 0.020 . 2 . . . . 106 LEU HD1 . 7377 1 736 . 1 1 106 106 LEU HD12 H 1 0.875 0.020 . 2 . . . . 106 LEU HD1 . 7377 1 737 . 1 1 106 106 LEU HD13 H 1 0.875 0.020 . 2 . . . . 106 LEU HD1 . 7377 1 738 . 1 1 106 106 LEU HD21 H 1 0.838 0.020 . 2 . . . . 106 LEU HD2 . 7377 1 739 . 1 1 106 106 LEU HD22 H 1 0.838 0.020 . 2 . . . . 106 LEU HD2 . 7377 1 740 . 1 1 106 106 LEU HD23 H 1 0.838 0.020 . 2 . . . . 106 LEU HD2 . 7377 1 741 . 1 1 106 106 LEU CA C 13 56.240 0.400 . 1 . . . . 106 LEU CA . 7377 1 742 . 1 1 106 106 LEU CB C 13 42.488 0.400 . 1 . . . . 106 LEU CB . 7377 1 743 . 1 1 106 106 LEU CD1 C 13 25.120 0.400 . 1 . . . . 106 LEU CD1 . 7377 1 744 . 1 1 106 106 LEU CD2 C 13 23.405 0.400 . 1 . . . . 106 LEU CD2 . 7377 1 745 . 1 1 106 106 LEU N N 15 127.496 0.400 . 1 . . . . 106 LEU N . 7377 1 stop_ save_