data_25278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25278 _Entry.Title ; Backbone chemical shift assignments for the sensor domain of the Burkholderia pseudomallei histidine kinase RisS. Seattle Structural Genomics Center for Infectious Disease target BupsA.00863.i. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-09 _Entry.Accession_date 2014-10-09 _Entry.Last_release_date 2014-11-11 _Entry.Original_release_date 2014-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Garry Buchko . W. . 25278 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Seattle Structural Genomics Center for Infectious Disease' . 25278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 25278 '1H chemical shifts' 75 25278 '15N chemical shifts' 77 25278 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-11 2014-10-09 original author . 25278 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone chemical shift assignments for the sensor domain of the Burkholderia pseudomallei histidine kinase RisS - An "invisible" dimer interface.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Garry Buchko . W. . 25278 1 2 Thomas Edwards . E. . 25278 1 3 Stephen Hewitt . N. . 25278 1 4 Isabelle Phan . . . 25278 1 5 Wesley 'Van Voorhis' . C. . 25278 1 6 Samuel Miller . I. . 25278 1 7 Peter Myler . J. . 25278 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SSGCID 25278 1 'infectious disease' 25278 1 meliodosis 25278 1 'histidine kinase' 25278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25278 _Assembly.ID 1 _Assembly.Name RisS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 entity 1 $entity A . yes native no no . . . 25278 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'histidine kinase' 25278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RisS _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 ; GPGSMSFRVIEREPRAQRVA LQLVAIVKLTRTALLYSDPD LRRALLQDLESNEGVRVYPR EKTDKFKLQPDESVNRLIEH DIRSRLGDDTVIAQSVNDIP GVWISFKIDDDDYWVALDRD QLDTVTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First native residue is S6. The construct consists of residues F30 - G150 of the native protein.' _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'EC 2.7.13.3' _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3LR0 . "Periplasmic Domain Of The Riss Sensor Protein From Burkholderia Pseudomallei, Iodide Phased At Low Ph" . . . . . 100.00 143 99.21 99.21 3.45e-82 . . . . 25278 1 2 no PDB 3LR3 . "Periplasmic Domain Of The Riss Sensor Protein From Burkholderia Pesuromallei, Low Ph Native Structure" . . . . . 100.00 143 99.21 99.21 3.45e-82 . . . . 25278 1 3 no PDB 3LR4 . "Periplasmic Domain Of The Riss Sensor Protein From Burkholde Pseudomallei, Barium Phased At Low Ph" . . . . . 100.00 126 99.21 99.21 2.05e-81 . . . . 25278 1 4 no PDB 3LR5 . "Periplasmic Domain Of The Riss Sensor Protein From Burkholde Pseudomallei, Iodide Phased At Neutral Ph" . . . . . 100.00 144 100.00 100.00 1.18e-84 . . . . 25278 1 5 no PDB 3TE8 . "Crystal Structure Of Riss Periplasmic Domain At Low Ph Dimer With N- Termini Ordered" . . . . . 100.00 127 100.00 100.00 6.94e-84 . . . . 25278 1 6 no DBJ BAG43831 . "two-component system osmolarity sensor histidine kinase [Burkholderia multivorans ATCC 17616]" . . . . . 96.06 453 98.36 100.00 2.88e-75 . . . . 25278 1 7 no EMBL CAH36098 . "putative oxidative stress related two component system, sensor kinase [Burkholderia pseudomallei K96243]" . . . . . 96.06 452 100.00 100.00 3.32e-76 . . . . 25278 1 8 no EMBL CAR52312 . "putative oxidative stress related two-component regulatory system, sensor kinase protein [Burkholderia cenocepacia J2315]" . . . . . 96.06 453 97.54 99.18 9.47e-75 . . . . 25278 1 9 no EMBL CDN60458 . "Osmolarity sensory histidine kinase EnvZ [Burkholderia cenocepacia H111]" . . . . . 96.06 453 97.54 99.18 9.47e-75 . . . . 25278 1 10 no EMBL CDU28740 . "putative oxidative stress related two component system, sensor kinase [Burkholderia pseudomallei]" . . . . . 96.06 452 100.00 100.00 3.32e-76 . . . . 25278 1 11 no EMBL CFB52363 . "sensor signal transduction histidine kinase [Burkholderia pseudomallei]" . . . . . 96.06 452 100.00 100.00 3.32e-76 . . . . 25278 1 12 no GB AAU47661 . "sensor histidine kinase RisS [Burkholderia mallei ATCC 23344]" . . . . . 96.06 452 100.00 100.00 3.28e-76 . . . . 25278 1 13 no GB ABA50560 . "sensor histidine kinase RisS [Burkholderia pseudomallei 1710b]" . . . . . 96.06 445 100.00 100.00 2.12e-76 . . . . 25278 1 14 no GB ABB08844 . "periplasmic sensor signal transduction histidine kinase [Burkholderia lata]" . . . . . 96.06 453 98.36 99.18 5.91e-75 . . . . 25278 1 15 no GB ABC38194 . "sensor histidine kinase RisS [Burkholderia thailandensis E264]" . . . . . 96.06 445 99.18 100.00 6.84e-76 . . . . 25278 1 16 no GB ABF81004 . "periplasmic sensor signal transduction histidine kinase [Burkholderia cenocepacia AU 1054]" . . . . . 96.06 453 97.54 99.18 1.19e-74 . . . . 25278 1 17 no REF WP_004196632 . "two-component system sensor histidine kinase [Burkholderia mallei]" . . . . . 96.06 452 100.00 100.00 3.28e-76 . . . . 25278 1 18 no REF WP_004531418 . "MULTISPECIES: two-component system sensor histidine kinase [Burkholderia]" . . . . . 96.06 452 100.00 100.00 3.32e-76 . . . . 25278 1 19 no REF WP_006402221 . "two-component system sensor histidine kinase [Burkholderia multivorans]" . . . . . 96.06 453 98.36 100.00 2.82e-75 . . . . 25278 1 20 no REF WP_006408378 . "two-component system sensor histidine kinase [Burkholderia multivorans]" . . . . . 96.06 453 98.36 100.00 3.42e-75 . . . . 25278 1 21 no REF WP_006415644 . "two-component system sensor histidine kinase [Burkholderia multivorans]" . . . . . 96.06 453 98.36 100.00 3.07e-75 . . . . 25278 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 . GLY . 25278 1 2 . PRO . 25278 1 3 . GLY . 25278 1 4 . SER . 25278 1 5 . MET . 25278 1 6 . SER . 25278 1 7 30 PHE . 25278 1 8 31 ARG . 25278 1 9 32 VAL . 25278 1 10 33 ILE . 25278 1 11 34 GLU . 25278 1 12 35 ARG . 25278 1 13 36 GLU . 25278 1 14 37 PRO . 25278 1 15 38 ARG . 25278 1 16 39 ALA . 25278 1 17 40 GLN . 25278 1 18 41 ARG . 25278 1 19 42 VAL . 25278 1 20 43 ALA . 25278 1 21 44 LEU . 25278 1 22 45 GLN . 25278 1 23 46 LEU . 25278 1 24 47 VAL . 25278 1 25 48 ALA . 25278 1 26 49 ILE . 25278 1 27 50 VAL . 25278 1 28 51 LYS . 25278 1 29 52 LEU . 25278 1 30 53 THR . 25278 1 31 54 ARG . 25278 1 32 55 THR . 25278 1 33 56 ALA . 25278 1 34 57 LEU . 25278 1 35 58 LEU . 25278 1 36 59 TYR . 25278 1 37 60 SER . 25278 1 38 61 ASP . 25278 1 39 62 PRO . 25278 1 40 63 ASP . 25278 1 41 64 LEU . 25278 1 42 65 ARG . 25278 1 43 66 ARG . 25278 1 44 67 ALA . 25278 1 45 68 LEU . 25278 1 46 69 LEU . 25278 1 47 70 GLN . 25278 1 48 71 ASP . 25278 1 49 72 LEU . 25278 1 50 73 GLU . 25278 1 51 74 SER . 25278 1 52 75 ASN . 25278 1 53 76 GLU . 25278 1 54 77 GLY . 25278 1 55 78 VAL . 25278 1 56 79 ARG . 25278 1 57 80 VAL . 25278 1 58 81 TYR . 25278 1 59 82 PRO . 25278 1 60 83 ARG . 25278 1 61 84 GLU . 25278 1 62 85 LYS . 25278 1 63 86 THR . 25278 1 64 87 ASP . 25278 1 65 88 LYS . 25278 1 66 89 PHE . 25278 1 67 90 LYS . 25278 1 68 91 LEU . 25278 1 69 92 GLN . 25278 1 70 93 PRO . 25278 1 71 94 ASP . 25278 1 72 95 GLU . 25278 1 73 96 SER . 25278 1 74 97 VAL . 25278 1 75 98 ASN . 25278 1 76 99 ARG . 25278 1 77 100 LEU . 25278 1 78 101 ILE . 25278 1 79 102 GLU . 25278 1 80 103 HIS . 25278 1 81 104 ASP . 25278 1 82 105 ILE . 25278 1 83 106 ARG . 25278 1 84 107 SER . 25278 1 85 108 ARG . 25278 1 86 109 LEU . 25278 1 87 110 GLY . 25278 1 88 111 ASP . 25278 1 89 112 ASP . 25278 1 90 113 THR . 25278 1 91 114 VAL . 25278 1 92 115 ILE . 25278 1 93 116 ALA . 25278 1 94 117 GLN . 25278 1 95 118 SER . 25278 1 96 119 VAL . 25278 1 97 120 ASN . 25278 1 98 121 ASP . 25278 1 99 122 ILE . 25278 1 100 123 PRO . 25278 1 101 124 GLY . 25278 1 102 125 VAL . 25278 1 103 126 TRP . 25278 1 104 127 ILE . 25278 1 105 128 SER . 25278 1 106 129 PHE . 25278 1 107 130 LYS . 25278 1 108 131 ILE . 25278 1 109 132 ASP . 25278 1 110 133 ASP . 25278 1 111 134 ASP . 25278 1 112 135 ASP . 25278 1 113 136 TYR . 25278 1 114 137 TRP . 25278 1 115 138 VAL . 25278 1 116 139 ALA . 25278 1 117 140 LEU . 25278 1 118 141 ASP . 25278 1 119 142 ARG . 25278 1 120 143 ASP . 25278 1 121 144 GLN . 25278 1 122 145 LEU . 25278 1 123 146 ASP . 25278 1 124 147 THR . 25278 1 125 148 VAL . 25278 1 126 149 THR . 25278 1 127 150 GLY . 25278 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25278 1 . PRO 2 2 25278 1 . GLY 3 3 25278 1 . SER 4 4 25278 1 . MET 5 5 25278 1 . SER 6 6 25278 1 . PHE 7 7 25278 1 . ARG 8 8 25278 1 . VAL 9 9 25278 1 . ILE 10 10 25278 1 . GLU 11 11 25278 1 . ARG 12 12 25278 1 . GLU 13 13 25278 1 . PRO 14 14 25278 1 . ARG 15 15 25278 1 . ALA 16 16 25278 1 . GLN 17 17 25278 1 . ARG 18 18 25278 1 . VAL 19 19 25278 1 . ALA 20 20 25278 1 . LEU 21 21 25278 1 . GLN 22 22 25278 1 . LEU 23 23 25278 1 . VAL 24 24 25278 1 . ALA 25 25 25278 1 . ILE 26 26 25278 1 . VAL 27 27 25278 1 . LYS 28 28 25278 1 . LEU 29 29 25278 1 . THR 30 30 25278 1 . ARG 31 31 25278 1 . THR 32 32 25278 1 . ALA 33 33 25278 1 . LEU 34 34 25278 1 . LEU 35 35 25278 1 . TYR 36 36 25278 1 . SER 37 37 25278 1 . ASP 38 38 25278 1 . PRO 39 39 25278 1 . ASP 40 40 25278 1 . LEU 41 41 25278 1 . ARG 42 42 25278 1 . ARG 43 43 25278 1 . ALA 44 44 25278 1 . LEU 45 45 25278 1 . LEU 46 46 25278 1 . GLN 47 47 25278 1 . ASP 48 48 25278 1 . LEU 49 49 25278 1 . GLU 50 50 25278 1 . SER 51 51 25278 1 . ASN 52 52 25278 1 . GLU 53 53 25278 1 . GLY 54 54 25278 1 . VAL 55 55 25278 1 . ARG 56 56 25278 1 . VAL 57 57 25278 1 . TYR 58 58 25278 1 . PRO 59 59 25278 1 . ARG 60 60 25278 1 . GLU 61 61 25278 1 . LYS 62 62 25278 1 . THR 63 63 25278 1 . ASP 64 64 25278 1 . LYS 65 65 25278 1 . PHE 66 66 25278 1 . LYS 67 67 25278 1 . LEU 68 68 25278 1 . GLN 69 69 25278 1 . PRO 70 70 25278 1 . ASP 71 71 25278 1 . GLU 72 72 25278 1 . SER 73 73 25278 1 . VAL 74 74 25278 1 . ASN 75 75 25278 1 . ARG 76 76 25278 1 . LEU 77 77 25278 1 . ILE 78 78 25278 1 . GLU 79 79 25278 1 . HIS 80 80 25278 1 . ASP 81 81 25278 1 . ILE 82 82 25278 1 . ARG 83 83 25278 1 . SER 84 84 25278 1 . ARG 85 85 25278 1 . LEU 86 86 25278 1 . GLY 87 87 25278 1 . ASP 88 88 25278 1 . ASP 89 89 25278 1 . THR 90 90 25278 1 . VAL 91 91 25278 1 . ILE 92 92 25278 1 . ALA 93 93 25278 1 . GLN 94 94 25278 1 . SER 95 95 25278 1 . VAL 96 96 25278 1 . ASN 97 97 25278 1 . ASP 98 98 25278 1 . ILE 99 99 25278 1 . PRO 100 100 25278 1 . GLY 101 101 25278 1 . VAL 102 102 25278 1 . TRP 103 103 25278 1 . ILE 104 104 25278 1 . SER 105 105 25278 1 . PHE 106 106 25278 1 . LYS 107 107 25278 1 . ILE 108 108 25278 1 . ASP 109 109 25278 1 . ASP 110 110 25278 1 . ASP 111 111 25278 1 . ASP 112 112 25278 1 . TYR 113 113 25278 1 . TRP 114 114 25278 1 . VAL 115 115 25278 1 . ALA 116 116 25278 1 . LEU 117 117 25278 1 . ASP 118 118 25278 1 . ARG 119 119 25278 1 . ASP 120 120 25278 1 . GLN 121 121 25278 1 . LEU 122 122 25278 1 . ASP 123 123 25278 1 . THR 124 124 25278 1 . VAL 125 125 25278 1 . THR 126 126 25278 1 . GLY 127 127 25278 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25278 _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 $entity . 28450 organism . 'Burkholderia pseudomallei' b-proteobacteria . . Bacteria . Burkholderia pseudomallei 1710b . . . . . . . . . . . . . . . . . . . . 25278 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 25278 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-R3-pRARE2 . . . . . . . . . . . . . . . AVA0421 . . . . . . 25278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25278 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 RisS '[U-13C; U-15N; U-2H]' . . 1 $entity . . 1 . . mM 0.2 . . . 25278 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 25278 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 25278 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 25278 1 5 H2O 'natural abundance' . . . . . . 93 . . % 0.1 . . . 25278 1 6 D2O 'natural abundance' . . . . . . 7 . . % 0.1 . . . 25278 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25278 _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 temperature 203 0.5 K 25278 1 pH 7 0.1 pH 25278 1 pressure 1 . atm 25278 1 'ionic strength' 0.12 0.01 M 25278 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25278 _Software.ID 1 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25278 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25278 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25278 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25278 2 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 25278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25278 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25278 _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 Agilent INOVA . 750 . . . 25278 1 2 spectrometer_2 Agilent INOVA . 600 . . . 25278 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 25278 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25278 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25278 1 3 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25278 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25278 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25278 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25278 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25278 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 25278 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Note...Ca/Cb uncorrected for deuteration.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25278 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25278 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25278 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 25278 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 HSQC' . . . 25278 1 2 '3D HNCO' . . . 25278 1 3 '3D HCACO' . . . 25278 1 4 '3D HNCA' . . . 25278 1 5 '3D CBCA(CO)NH' . . . 25278 1 6 '3D HNCACB' . . . 25278 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 3 3 GLY C C 13 174.1 0.2 . 1 . . . . 3 GLY C . 25278 1 2 . 1 1 3 3 GLY CA C 13 45.1 0.2 . 1 . . . . 3 GLY CA . 25278 1 3 . 1 1 4 4 SER H H 1 8.12 0.02 . 1 . . . . 4 SER H . 25278 1 4 . 1 1 4 4 SER C C 13 174.3 0.2 . 1 . . . . 4 SER C . 25278 1 5 . 1 1 4 4 SER CA C 13 58.1 0.2 . 1 . . . . 4 SER CA . 25278 1 6 . 1 1 4 4 SER CB C 13 63.4 0.2 . 1 . . . . 4 SER CB . 25278 1 7 . 1 1 4 4 SER N N 15 115.4 0.2 . 1 . . . . 4 SER N . 25278 1 8 . 1 1 5 5 MET C C 13 175.4 0.2 . 1 . . . . 5 MET C . 25278 1 9 . 1 1 5 5 MET CA C 13 55.3 0.2 . 1 . . . . 5 MET CA . 25278 1 10 . 1 1 5 5 MET CB C 13 32.1 0.2 . 1 . . . . 5 MET CB . 25278 1 11 . 1 1 6 6 SER H H 1 7.91 0.02 . 1 . . . . 6 SER H . 25278 1 12 . 1 1 6 6 SER C C 13 178.4 0.2 . 1 . . . . 6 SER C . 25278 1 13 . 1 1 6 6 SER CA C 13 59.8 0.2 . 1 . . . . 6 SER CA . 25278 1 14 . 1 1 6 6 SER CB C 13 64.3 0.2 . 1 . . . . 6 SER CB . 25278 1 15 . 1 1 6 6 SER N N 15 122.0 0.2 . 1 . . . . 6 SER N . 25278 1 16 . 1 1 8 8 ARG C C 13 175.6 0.2 . 1 . . . . 8 ARG C . 25278 1 17 . 1 1 8 8 ARG CA C 13 55.5 0.2 . 1 . . . . 8 ARG CA . 25278 1 18 . 1 1 9 9 VAL H H 1 8.18 0.02 . 1 . . . . 9 VAL H . 25278 1 19 . 1 1 9 9 VAL C C 13 176.0 0.2 . 1 . . . . 9 VAL C . 25278 1 20 . 1 1 9 9 VAL CA C 13 62.2 0.2 . 1 . . . . 9 VAL CA . 25278 1 21 . 1 1 9 9 VAL CB C 13 31.8 0.2 . 1 . . . . 9 VAL CB . 25278 1 22 . 1 1 9 9 VAL N N 15 122.3 0.2 . 1 . . . . 9 VAL N . 25278 1 23 . 1 1 10 10 ILE H H 1 8.17 0.02 . 1 . . . . 10 ILE H . 25278 1 24 . 1 1 10 10 ILE CA C 13 60.8 0.2 . 1 . . . . 10 ILE CA . 25278 1 25 . 1 1 10 10 ILE CB C 13 37.8 0.2 . 1 . . . . 10 ILE CB . 25278 1 26 . 1 1 10 10 ILE N N 15 124.1 0.2 . 1 . . . . 10 ILE N . 25278 1 27 . 1 1 11 11 GLU H H 1 8.38 0.02 . 1 . . . . 11 GLU H . 25278 1 28 . 1 1 11 11 GLU CA C 13 56.3 0.2 . 1 . . . . 11 GLU CA . 25278 1 29 . 1 1 11 11 GLU CB C 13 29.5 0.2 . 1 . . . . 11 GLU CB . 25278 1 30 . 1 1 11 11 GLU N N 15 124.1 0.2 . 1 . . . . 11 GLU N . 25278 1 31 . 1 1 12 12 ARG H H 1 8.23 0.02 . 1 . . . . 12 ARG H . 25278 1 32 . 1 1 12 12 ARG CA C 13 56.3 0.2 . 1 . . . . 12 ARG CA . 25278 1 33 . 1 1 12 12 ARG CB C 13 30.1 0.2 . 1 . . . . 12 ARG CB . 25278 1 34 . 1 1 12 12 ARG N N 15 120.9 0.2 . 1 . . . . 12 ARG N . 25278 1 35 . 1 1 13 13 GLU H H 1 8.41 0.02 . 1 . . . . 13 GLU H . 25278 1 36 . 1 1 13 13 GLU CA C 13 55.5 0.2 . 1 . . . . 13 GLU CA . 25278 1 37 . 1 1 13 13 GLU CB C 13 32.1 0.2 . 1 . . . . 13 GLU CB . 25278 1 38 . 1 1 13 13 GLU N N 15 122.0 0.2 . 1 . . . . 13 GLU N . 25278 1 39 . 1 1 14 14 PRO CA C 13 64.1 0.2 . 1 . . . . 14 PRO CA . 25278 1 40 . 1 1 15 15 ARG H H 1 8.42 0.02 . 1 . . . . 15 ARG H . 25278 1 41 . 1 1 15 15 ARG C C 13 175.6 0.2 . 1 . . . . 15 ARG C . 25278 1 42 . 1 1 15 15 ARG CA C 13 58.1 0.2 . 1 . . . . 15 ARG CA . 25278 1 43 . 1 1 15 15 ARG N N 15 119.7 0.2 . 1 . . . . 15 ARG N . 25278 1 44 . 1 1 16 16 ALA H H 1 8.20 0.02 . 1 . . . . 16 ALA H . 25278 1 45 . 1 1 16 16 ALA C C 13 176.0 0.2 . 1 . . . . 16 ALA C . 25278 1 46 . 1 1 16 16 ALA CA C 13 54.1 0.2 . 1 . . . . 16 ALA CA . 25278 1 47 . 1 1 16 16 ALA CB C 13 18.4 0.2 . 1 . . . . 16 ALA CB . 25278 1 48 . 1 1 16 16 ALA N N 15 121.7 0.2 . 1 . . . . 16 ALA N . 25278 1 49 . 1 1 17 17 GLN H H 1 8.15 0.02 . 1 . . . . 17 GLN H . 25278 1 50 . 1 1 17 17 GLN CA C 13 58.1 0.2 . 1 . . . . 17 GLN CA . 25278 1 51 . 1 1 17 17 GLN CB C 13 28.4 0.2 . 1 . . . . 17 GLN CB . 25278 1 52 . 1 1 17 17 GLN N N 15 116.5 0.2 . 1 . . . . 17 GLN N . 25278 1 53 . 1 1 19 19 VAL C C 13 177.9 0.2 . 1 . . . . 19 VAL C . 25278 1 54 . 1 1 19 19 VAL CA C 13 59.0 0.2 . 1 . . . . 19 VAL CA . 25278 1 55 . 1 1 19 19 VAL CB C 13 29.1 0.2 . 1 . . . . 19 VAL CB . 25278 1 56 . 1 1 20 20 ALA H H 1 7.97 0.02 . 1 . . . . 20 ALA H . 25278 1 57 . 1 1 20 20 ALA C C 13 178.9 0.2 . 1 . . . . 20 ALA C . 25278 1 58 . 1 1 20 20 ALA CA C 13 55.3 0.2 . 1 . . . . 20 ALA CA . 25278 1 59 . 1 1 20 20 ALA CB C 13 19.1 0.2 . 1 . . . . 20 ALA CB . 25278 1 60 . 1 1 20 20 ALA N N 15 119.8 0.2 . 1 . . . . 20 ALA N . 25278 1 61 . 1 1 21 21 LEU H H 1 7.92 0.02 . 1 . . . . 21 LEU H . 25278 1 62 . 1 1 21 21 LEU C C 13 179.9 0.2 . 1 . . . . 21 LEU C . 25278 1 63 . 1 1 21 21 LEU CA C 13 57.7 0.2 . 1 . . . . 21 LEU CA . 25278 1 64 . 1 1 21 21 LEU CB C 13 40.3 0.2 . 1 . . . . 21 LEU CB . 25278 1 65 . 1 1 21 21 LEU N N 15 115.5 0.2 . 1 . . . . 21 LEU N . 25278 1 66 . 1 1 39 39 PRO C C 13 179.2 0.2 . 1 . . . . 39 PRO C . 25278 1 67 . 1 1 40 40 ASP H H 1 8.82 0.02 . 1 . . . . 40 ASP H . 25278 1 68 . 1 1 40 40 ASP C C 13 177.4 0.2 . 1 . . . . 40 ASP C . 25278 1 69 . 1 1 40 40 ASP CA C 13 56.1 0.2 . 1 . . . . 40 ASP CA . 25278 1 70 . 1 1 40 40 ASP CB C 13 40.2 0.2 . 1 . . . . 40 ASP CB . 25278 1 71 . 1 1 40 40 ASP N N 15 116.9 0.2 . 1 . . . . 40 ASP N . 25278 1 72 . 1 1 41 41 LEU H H 1 8.10 0.02 . 1 . . . . 41 LEU H . 25278 1 73 . 1 1 41 41 LEU C C 13 176.8 0.2 . 1 . . . . 41 LEU C . 25278 1 74 . 1 1 41 41 LEU CA C 13 42.2 0.2 . 1 . . . . 41 LEU CA . 25278 1 75 . 1 1 41 41 LEU CB C 13 53.8 0.2 . 1 . . . . 41 LEU CB . 25278 1 76 . 1 1 41 41 LEU N N 15 118.5 0.2 . 1 . . . . 41 LEU N . 25278 1 77 . 1 1 42 42 ARG H H 1 7.21 0.02 . 1 . . . . 42 ARG H . 25278 1 78 . 1 1 42 42 ARG C C 13 177.2 0.2 . 1 . . . . 42 ARG C . 25278 1 79 . 1 1 42 42 ARG CA C 13 60.2 0.2 . 1 . . . . 42 ARG CA . 25278 1 80 . 1 1 42 42 ARG CB C 13 29.6 0.2 . 1 . . . . 42 ARG CB . 25278 1 81 . 1 1 42 42 ARG N N 15 121.4 0.2 . 1 . . . . 42 ARG N . 25278 1 82 . 1 1 43 43 ARG H H 1 8.34 0.02 . 1 . . . . 43 ARG H . 25278 1 83 . 1 1 43 43 ARG C C 13 178.7 0.2 . 1 . . . . 43 ARG C . 25278 1 84 . 1 1 43 43 ARG CA C 13 59.1 0.2 . 1 . . . . 43 ARG CA . 25278 1 85 . 1 1 43 43 ARG CB C 13 28.0 0.2 . 1 . . . . 43 ARG CB . 25278 1 86 . 1 1 43 43 ARG N N 15 116.8 0.2 . 1 . . . . 43 ARG N . 25278 1 87 . 1 1 44 44 ALA H H 1 7.65 0.02 . 1 . . . . 44 ALA H . 25278 1 88 . 1 1 44 44 ALA CA C 13 54.6 0.2 . 1 . . . . 44 ALA CA . 25278 1 89 . 1 1 44 44 ALA CB C 13 17.1 0.2 . 1 . . . . 44 ALA CB . 25278 1 90 . 1 1 44 44 ALA N N 15 123.4 0.2 . 1 . . . . 44 ALA N . 25278 1 91 . 1 1 59 59 PRO C C 13 175.2 0.2 . 1 . . . . 59 PRO C . 25278 1 92 . 1 1 59 59 PRO CA C 13 62.9 0.2 . 1 . . . . 59 PRO CA . 25278 1 93 . 1 1 59 59 PRO CB C 13 29.4 0.2 . 1 . . . . 59 PRO CB . 25278 1 94 . 1 1 60 60 ARG H H 1 7.76 0.02 . 1 . . . . 60 ARG H . 25278 1 95 . 1 1 60 60 ARG C C 13 175.4 0.2 . 1 . . . . 60 ARG C . 25278 1 96 . 1 1 60 60 ARG CA C 13 54.0 0.2 . 1 . . . . 60 ARG CA . 25278 1 97 . 1 1 60 60 ARG CB C 13 30.9 0.2 . 1 . . . . 60 ARG CB . 25278 1 98 . 1 1 60 60 ARG N N 15 124.3 0.2 . 1 . . . . 60 ARG N . 25278 1 99 . 1 1 61 61 GLU H H 1 8.51 0.02 . 1 . . . . 61 GLU H . 25278 1 100 . 1 1 61 61 GLU C C 13 178.7 0.2 . 1 . . . . 61 GLU C . 25278 1 101 . 1 1 61 61 GLU CA C 13 53.8 0.2 . 1 . . . . 61 GLU CA . 25278 1 102 . 1 1 61 61 GLU CB C 13 31.5 0.2 . 1 . . . . 61 GLU CB . 25278 1 103 . 1 1 61 61 GLU N N 15 127.0 0.2 . 1 . . . . 61 GLU N . 25278 1 104 . 1 1 62 62 LYS C C 13 177.5 0.2 . 1 . . . . 62 LYS C . 25278 1 105 . 1 1 62 62 LYS CA C 13 58.7 0.2 . 1 . . . . 62 LYS CA . 25278 1 106 . 1 1 62 62 LYS CB C 13 31.2 0.2 . 1 . . . . 62 LYS CB . 25278 1 107 . 1 1 63 63 THR H H 1 7.15 0.02 . 1 . . . . 63 THR H . 25278 1 108 . 1 1 63 63 THR C C 13 175.2 0.2 . 1 . . . . 63 THR C . 25278 1 109 . 1 1 63 63 THR CA C 13 60.6 0.2 . 1 . . . . 63 THR CA . 25278 1 110 . 1 1 63 63 THR CB C 13 68.6 0.2 . 1 . . . . 63 THR CB . 25278 1 111 . 1 1 63 63 THR N N 15 103.3 0.2 . 1 . . . . 63 THR N . 25278 1 112 . 1 1 64 64 ASP H H 1 7.56 0.02 . 1 . . . . 64 ASP H . 25278 1 113 . 1 1 64 64 ASP C C 13 176.3 0.2 . 1 . . . . 64 ASP C . 25278 1 114 . 1 1 64 64 ASP CA C 13 40.4 0.2 . 1 . . . . 64 ASP CA . 25278 1 115 . 1 1 64 64 ASP CB C 13 55.9 0.2 . 1 . . . . 64 ASP CB . 25278 1 116 . 1 1 64 64 ASP N N 15 122.4 0.2 . 1 . . . . 64 ASP N . 25278 1 117 . 1 1 65 65 LYS H H 1 8.20 0.02 . 1 . . . . 65 LYS H . 25278 1 118 . 1 1 65 65 LYS C C 13 175.3 0.2 . 1 . . . . 65 LYS C . 25278 1 119 . 1 1 65 65 LYS CA C 13 54.1 0.2 . 1 . . . . 65 LYS CA . 25278 1 120 . 1 1 65 65 LYS CB C 13 32.9 0.2 . 1 . . . . 65 LYS CB . 25278 1 121 . 1 1 65 65 LYS N N 15 122.9 0.2 . 1 . . . . 65 LYS N . 25278 1 122 . 1 1 66 66 PHE H H 1 7.96 0.02 . 1 . . . . 66 PHE H . 25278 1 123 . 1 1 66 66 PHE C C 13 173.7 0.2 . 1 . . . . 66 PHE C . 25278 1 124 . 1 1 66 66 PHE CA C 13 41.4 0.2 . 1 . . . . 66 PHE CA . 25278 1 125 . 1 1 66 66 PHE CB C 13 54.6 0.2 . 1 . . . . 66 PHE CB . 25278 1 126 . 1 1 66 66 PHE N N 15 118.8 0.2 . 1 . . . . 66 PHE N . 25278 1 127 . 1 1 67 67 LYS H H 1 7.96 0.02 . 1 . . . . 67 LYS H . 25278 1 128 . 1 1 67 67 LYS C C 13 176.0 0.2 . 1 . . . . 67 LYS C . 25278 1 129 . 1 1 67 67 LYS CA C 13 54.0 0.2 . 1 . . . . 67 LYS CA . 25278 1 130 . 1 1 67 67 LYS CB C 13 34.1 0.2 . 1 . . . . 67 LYS CB . 25278 1 131 . 1 1 67 67 LYS N N 15 120.4 0.2 . 1 . . . . 67 LYS N . 25278 1 132 . 1 1 68 68 LEU H H 1 8.83 0.02 . 1 . . . . 68 LEU H . 25278 1 133 . 1 1 68 68 LEU C C 13 178.0 0.2 . 1 . . . . 68 LEU C . 25278 1 134 . 1 1 68 68 LEU CA C 13 40.8 0.2 . 1 . . . . 68 LEU CA . 25278 1 135 . 1 1 68 68 LEU CB C 13 54.8 0.2 . 1 . . . . 68 LEU CB . 25278 1 136 . 1 1 68 68 LEU N N 15 125.0 0.2 . 1 . . . . 68 LEU N . 25278 1 137 . 1 1 69 69 GLN H H 1 9.33 0.02 . 1 . . . . 69 GLN H . 25278 1 138 . 1 1 69 69 GLN C C 13 174.1 0.2 . 1 . . . . 69 GLN C . 25278 1 139 . 1 1 69 69 GLN CA C 13 55.0 0.2 . 1 . . . . 69 GLN CA . 25278 1 140 . 1 1 69 69 GLN CB C 13 27.3 0.2 . 1 . . . . 69 GLN CB . 25278 1 141 . 1 1 69 69 GLN N N 15 119.4 0.2 . 1 . . . . 69 GLN N . 25278 1 142 . 1 1 70 70 PRO C C 13 176.7 0.2 . 1 . . . . 70 PRO C . 25278 1 143 . 1 1 70 70 PRO CA C 13 62.6 0.2 . 1 . . . . 70 PRO CA . 25278 1 144 . 1 1 70 70 PRO CB C 13 31.7 0.2 . 1 . . . . 70 PRO CB . 25278 1 145 . 1 1 71 71 ASP H H 1 8.63 0.02 . 1 . . . . 71 ASP H . 25278 1 146 . 1 1 71 71 ASP C C 13 175.1 0.2 . 1 . . . . 71 ASP C . 25278 1 147 . 1 1 71 71 ASP CA C 13 54.0 0.2 . 1 . . . . 71 ASP CA . 25278 1 148 . 1 1 71 71 ASP CB C 13 39.2 0.2 . 1 . . . . 71 ASP CB . 25278 1 149 . 1 1 71 71 ASP N N 15 122.4 0.2 . 1 . . . . 71 ASP N . 25278 1 150 . 1 1 72 72 GLU H H 1 7.69 0.02 . 1 . . . . 72 GLU H . 25278 1 151 . 1 1 72 72 GLU C C 13 176.8 0.2 . 1 . . . . 72 GLU C . 25278 1 152 . 1 1 72 72 GLU CA C 13 54.7 0.2 . 1 . . . . 72 GLU CA . 25278 1 153 . 1 1 72 72 GLU CB C 13 31.4 0.2 . 1 . . . . 72 GLU CB . 25278 1 154 . 1 1 72 72 GLU N N 15 122.1 0.2 . 1 . . . . 72 GLU N . 25278 1 155 . 1 1 73 73 SER C C 13 176.4 0.2 . 1 . . . . 73 SER C . 25278 1 156 . 1 1 73 73 SER CA C 13 60.5 0.2 . 1 . . . . 73 SER CA . 25278 1 157 . 1 1 73 73 SER CB C 13 62.2 0.2 . 1 . . . . 73 SER CB . 25278 1 158 . 1 1 74 74 VAL H H 1 8.55 0.02 . 1 . . . . 74 VAL H . 25278 1 159 . 1 1 74 74 VAL C C 13 176.8 0.2 . 1 . . . . 74 VAL C . 25278 1 160 . 1 1 74 74 VAL CA C 13 64.1 0.2 . 1 . . . . 74 VAL CA . 25278 1 161 . 1 1 74 74 VAL CB C 13 30.4 0.2 . 1 . . . . 74 VAL CB . 25278 1 162 . 1 1 74 74 VAL N N 15 119.5 0.2 . 1 . . . . 74 VAL N . 25278 1 163 . 1 1 75 75 ASN H H 1 7.68 0.02 . 1 . . . . 75 ASN H . 25278 1 164 . 1 1 75 75 ASN C C 13 177.4 0.2 . 1 . . . . 75 ASN C . 25278 1 165 . 1 1 75 75 ASN CA C 13 55.8 0.2 . 1 . . . . 75 ASN CA . 25278 1 166 . 1 1 75 75 ASN CB C 13 37.4 0.2 . 1 . . . . 75 ASN CB . 25278 1 167 . 1 1 75 75 ASN N N 15 119.4 0.2 . 1 . . . . 75 ASN N . 25278 1 168 . 1 1 76 76 ARG H H 1 8.38 0.02 . 1 . . . . 76 ARG H . 25278 1 169 . 1 1 76 76 ARG C C 13 179.3 0.2 . 1 . . . . 76 ARG C . 25278 1 170 . 1 1 76 76 ARG CA C 13 58.6 0.2 . 1 . . . . 76 ARG CA . 25278 1 171 . 1 1 76 76 ARG CB C 13 29.2 0.2 . 1 . . . . 76 ARG CB . 25278 1 172 . 1 1 76 76 ARG N N 15 118.7 0.2 . 1 . . . . 76 ARG N . 25278 1 173 . 1 1 77 77 LEU H H 1 7.74 0.02 . 1 . . . . 77 LEU H . 25278 1 174 . 1 1 77 77 LEU C C 13 179.3 0.2 . 1 . . . . 77 LEU C . 25278 1 175 . 1 1 77 77 LEU CA C 13 57.7 0.2 . 1 . . . . 77 LEU CA . 25278 1 176 . 1 1 77 77 LEU CB C 13 40.9 0.2 . 1 . . . . 77 LEU CB . 25278 1 177 . 1 1 77 77 LEU N N 15 120.7 0.2 . 1 . . . . 77 LEU N . 25278 1 178 . 1 1 78 78 ILE H H 1 8.06 0.02 . 1 . . . . 78 ILE H . 25278 1 179 . 1 1 78 78 ILE C C 13 177.9 0.2 . 1 . . . . 78 ILE C . 25278 1 180 . 1 1 78 78 ILE CA C 13 65.3 0.2 . 1 . . . . 78 ILE CA . 25278 1 181 . 1 1 78 78 ILE CB C 13 37.6 0.2 . 1 . . . . 78 ILE CB . 25278 1 182 . 1 1 78 78 ILE N N 15 119.4 0.2 . 1 . . . . 78 ILE N . 25278 1 183 . 1 1 79 79 GLU H H 1 8.48 0.02 . 1 . . . . 79 GLU H . 25278 1 184 . 1 1 79 79 GLU C C 13 178.2 0.2 . 1 . . . . 79 GLU C . 25278 1 185 . 1 1 79 79 GLU CA C 13 60.0 0.2 . 1 . . . . 79 GLU CA . 25278 1 186 . 1 1 79 79 GLU CB C 13 28.6 0.2 . 1 . . . . 79 GLU CB . 25278 1 187 . 1 1 79 79 GLU N N 15 117.7 0.2 . 1 . . . . 79 GLU N . 25278 1 188 . 1 1 80 80 HIS H H 1 8.16 0.02 . 1 . . . . 80 HIS H . 25278 1 189 . 1 1 80 80 HIS C C 13 178.2 0.2 . 1 . . . . 80 HIS C . 25278 1 190 . 1 1 80 80 HIS CA C 13 59.5 0.2 . 1 . . . . 80 HIS CA . 25278 1 191 . 1 1 80 80 HIS CB C 13 28.9 0.2 . 1 . . . . 80 HIS CB . 25278 1 192 . 1 1 80 80 HIS N N 15 117.3 0.2 . 1 . . . . 80 HIS N . 25278 1 193 . 1 1 81 81 ASP H H 1 8.15 0.02 . 1 . . . . 81 ASP H . 25278 1 194 . 1 1 81 81 ASP C C 13 179.1 0.2 . 1 . . . . 81 ASP C . 25278 1 195 . 1 1 81 81 ASP CA C 13 57.3 0.2 . 1 . . . . 81 ASP CA . 25278 1 196 . 1 1 81 81 ASP CB C 13 40.4 0.2 . 1 . . . . 81 ASP CB . 25278 1 197 . 1 1 81 81 ASP N N 15 121.2 0.2 . 1 . . . . 81 ASP N . 25278 1 198 . 1 1 82 82 ILE H H 1 8.40 0.02 . 1 . . . . 82 ILE H . 25278 1 199 . 1 1 82 82 ILE C C 13 178.5 0.2 . 1 . . . . 82 ILE C . 25278 1 200 . 1 1 82 82 ILE CA C 13 65.2 0.2 . 1 . . . . 82 ILE CA . 25278 1 201 . 1 1 82 82 ILE CB C 13 37.0 0.2 . 1 . . . . 82 ILE CB . 25278 1 202 . 1 1 82 82 ILE N N 15 119.1 0.2 . 1 . . . . 82 ILE N . 25278 1 203 . 1 1 83 83 ARG H H 1 8.63 0.02 . 1 . . . . 83 ARG H . 25278 1 204 . 1 1 83 83 ARG C C 13 179.3 0.2 . 1 . . . . 83 ARG C . 25278 1 205 . 1 1 83 83 ARG CA C 13 59.8 0.2 . 1 . . . . 83 ARG CA . 25278 1 206 . 1 1 83 83 ARG CB C 13 29.3 0.2 . 1 . . . . 83 ARG CB . 25278 1 207 . 1 1 83 83 ARG N N 15 119.6 0.2 . 1 . . . . 83 ARG N . 25278 1 208 . 1 1 84 84 SER H H 1 8.20 0.02 . 1 . . . . 84 SER H . 25278 1 209 . 1 1 84 84 SER C C 13 175.1 0.2 . 1 . . . . 84 SER C . 25278 1 210 . 1 1 84 84 SER CA C 13 61.0 0.2 . 1 . . . . 84 SER CA . 25278 1 211 . 1 1 84 84 SER CB C 13 62.2 0.2 . 1 . . . . 84 SER CB . 25278 1 212 . 1 1 84 84 SER N N 15 114.4 0.2 . 1 . . . . 84 SER N . 25278 1 213 . 1 1 85 85 ARG H H 1 7.12 0.02 . 1 . . . . 85 ARG H . 25278 1 214 . 1 1 85 85 ARG C C 13 177.5 0.2 . 1 . . . . 85 ARG C . 25278 1 215 . 1 1 85 85 ARG CA C 13 56.7 0.2 . 1 . . . . 85 ARG CA . 25278 1 216 . 1 1 85 85 ARG CB C 13 31.4 0.2 . 1 . . . . 85 ARG CB . 25278 1 217 . 1 1 85 85 ARG NE N 15 117.1 0.2 . 1 . . . . 85 ARG NE . 25278 1 218 . 1 1 86 86 LEU H H 1 8.46 0.02 . 1 . . . . 86 LEU H . 25278 1 219 . 1 1 86 86 LEU C C 13 177.3 0.2 . 1 . . . . 86 LEU C . 25278 1 220 . 1 1 86 86 LEU CA C 13 55.1 0.2 . 1 . . . . 86 LEU CA . 25278 1 221 . 1 1 86 86 LEU CB C 13 42.5 0.2 . 1 . . . . 86 LEU CB . 25278 1 222 . 1 1 86 86 LEU N N 15 116.5 0.2 . 1 . . . . 86 LEU N . 25278 1 223 . 1 1 87 87 GLY H H 1 7.95 0.02 . 1 . . . . 87 GLY H . 25278 1 224 . 1 1 87 87 GLY C C 13 176.2 0.2 . 1 . . . . 87 GLY C . 25278 1 225 . 1 1 87 87 GLY CA C 13 44.1 0.2 . 1 . . . . 87 GLY CA . 25278 1 226 . 1 1 87 87 GLY N N 15 107.7 0.2 . 1 . . . . 87 GLY N . 25278 1 227 . 1 1 88 88 ASP H H 1 8.79 0.02 . 1 . . . . 88 ASP H . 25278 1 228 . 1 1 88 88 ASP C C 13 175.6 . . 1 . . . . 88 ASP C . 25278 1 229 . 1 1 88 88 ASP CA C 13 57.0 0.2 . 1 . . . . 88 ASP CA . 25278 1 230 . 1 1 88 88 ASP CB C 13 40.5 0.2 . 1 . . . . 88 ASP CB . 25278 1 231 . 1 1 88 88 ASP N N 15 124.3 0.2 . 1 . . . . 88 ASP N . 25278 1 232 . 1 1 89 89 ASP H H 1 8.50 0.02 . 1 . . . . 89 ASP H . 25278 1 233 . 1 1 89 89 ASP C C 13 175.9 0.2 . 1 . . . . 89 ASP C . 25278 1 234 . 1 1 89 89 ASP CA C 13 53.5 0.2 . 1 . . . . 89 ASP CA . 25278 1 235 . 1 1 89 89 ASP CB C 13 39.1 0.2 . 1 . . . . 89 ASP CB . 25278 1 236 . 1 1 89 89 ASP N N 15 115.4 0.2 . 1 . . . . 89 ASP N . 25278 1 237 . 1 1 90 90 THR H H 1 7.50 0.02 . 1 . . . . 90 THR H . 25278 1 238 . 1 1 90 90 THR C C 13 173.3 0.2 . 1 . . . . 90 THR C . 25278 1 239 . 1 1 90 90 THR CA C 13 64.9 0.2 . 1 . . . . 90 THR CA . 25278 1 240 . 1 1 90 90 THR CB C 13 69.5 0.2 . 1 . . . . 90 THR CB . 25278 1 241 . 1 1 90 90 THR N N 15 117.5 0.2 . 1 . . . . 90 THR N . 25278 1 242 . 1 1 91 91 VAL H H 1 9.05 0.02 . 1 . . . . 91 VAL H . 25278 1 243 . 1 1 91 91 VAL C C 13 174.2 0.2 . 1 . . . . 91 VAL C . 25278 1 244 . 1 1 91 91 VAL CA C 13 62.0 0.2 . 1 . . . . 91 VAL CA . 25278 1 245 . 1 1 91 91 VAL CB C 13 32.2 0.2 . 1 . . . . 91 VAL CB . 25278 1 246 . 1 1 91 91 VAL N N 15 131.6 0.2 . 1 . . . . 91 VAL N . 25278 1 247 . 1 1 92 92 ILE H H 1 8.01 0.02 . 1 . . . . 92 ILE H . 25278 1 248 . 1 1 92 92 ILE C C 13 175.3 0.2 . 1 . . . . 92 ILE C . 25278 1 249 . 1 1 92 92 ILE CA C 13 60.0 0.2 . 1 . . . . 92 ILE CA . 25278 1 250 . 1 1 92 92 ILE CB C 13 39.2 0.2 . 1 . . . . 92 ILE CB . 25278 1 251 . 1 1 92 92 ILE N N 15 124.9 0.2 . 1 . . . . 92 ILE N . 25278 1 252 . 1 1 93 93 ALA H H 1 9.93 0.02 . 1 . . . . 93 ALA H . 25278 1 253 . 1 1 93 93 ALA C C 13 175.9 0.2 . 1 . . . . 93 ALA C . 25278 1 254 . 1 1 93 93 ALA CA C 13 50.3 0.2 . 1 . . . . 93 ALA CA . 25278 1 255 . 1 1 93 93 ALA CB C 13 22.1 0.2 . 1 . . . . 93 ALA CB . 25278 1 256 . 1 1 93 93 ALA N N 15 129.3 0.2 . 1 . . . . 93 ALA N . 25278 1 257 . 1 1 94 94 GLN H H 1 8.87 0.02 . 1 . . . . 94 GLN H . 25278 1 258 . 1 1 94 94 GLN C C 13 175.5 0.2 . 1 . . . . 94 GLN C . 25278 1 259 . 1 1 94 94 GLN CA C 13 54.9 0.2 . 1 . . . . 94 GLN CA . 25278 1 260 . 1 1 94 94 GLN CB C 13 29.7 0.2 . 1 . . . . 94 GLN CB . 25278 1 261 . 1 1 94 94 GLN N N 15 117.0 0.2 . 1 . . . . 94 GLN N . 25278 1 262 . 1 1 95 95 SER H H 1 7.23 0.02 . 1 . . . . 95 SER H . 25278 1 263 . 1 1 95 95 SER C C 13 172.1 0.2 . 1 . . . . 95 SER C . 25278 1 264 . 1 1 95 95 SER CA C 13 57.2 0.2 . 1 . . . . 95 SER CA . 25278 1 265 . 1 1 95 95 SER CB C 13 63.4 0.2 . 1 . . . . 95 SER CB . 25278 1 266 . 1 1 95 95 SER N N 15 112.1 0.2 . 1 . . . . 95 SER N . 25278 1 267 . 1 1 96 96 VAL H H 1 6.23 0.02 . 1 . . . . 96 VAL H . 25278 1 268 . 1 1 96 96 VAL C C 13 175.7 0.2 . 1 . . . . 96 VAL C . 25278 1 269 . 1 1 96 96 VAL CA C 13 60.5 0.2 . 1 . . . . 96 VAL CA . 25278 1 270 . 1 1 96 96 VAL CB C 13 31.3 0.2 . 1 . . . . 96 VAL CB . 25278 1 271 . 1 1 96 96 VAL N N 15 120.8 0.2 . 1 . . . . 96 VAL N . 25278 1 272 . 1 1 97 97 ASN H H 1 9.14 0.02 . 1 . . . . 97 ASN H . 25278 1 273 . 1 1 97 97 ASN C C 13 173.7 0.2 . 1 . . . . 97 ASN C . 25278 1 274 . 1 1 97 97 ASN CA C 13 54.2 0.2 . 1 . . . . 97 ASN CA . 25278 1 275 . 1 1 97 97 ASN CB C 13 36.2 0.2 . 1 . . . . 97 ASN CB . 25278 1 276 . 1 1 97 97 ASN N N 15 124.9 0.2 . 1 . . . . 97 ASN N . 25278 1 277 . 1 1 98 98 ASP H H 1 8.45 0.02 . 1 . . . . 98 ASP H . 25278 1 278 . 1 1 98 98 ASP C C 13 174.8 0.2 . 1 . . . . 98 ASP C . 25278 1 279 . 1 1 98 98 ASP CA C 13 55.8 0.2 . 1 . . . . 98 ASP CA . 25278 1 280 . 1 1 98 98 ASP CB C 13 39.0 0.2 . 1 . . . . 98 ASP CB . 25278 1 281 . 1 1 98 98 ASP N N 15 106.7 0.2 . 1 . . . . 98 ASP N . 25278 1 282 . 1 1 99 99 ILE H H 1 7.75 0.02 . 1 . . . . 99 ILE H . 25278 1 283 . 1 1 99 99 ILE C C 13 174.8 0.2 . 1 . . . . 99 ILE C . 25278 1 284 . 1 1 99 99 ILE CA C 13 57.9 0.2 . 1 . . . . 99 ILE CA . 25278 1 285 . 1 1 99 99 ILE CB C 13 36.7 0.2 . 1 . . . . 99 ILE CB . 25278 1 286 . 1 1 99 99 ILE N N 15 123.4 0.2 . 1 . . . . 99 ILE N . 25278 1 287 . 1 1 100 100 PRO C C 13 176.8 0.2 . 1 . . . . 100 PRO C . 25278 1 288 . 1 1 100 100 PRO CA C 13 62.2 0.2 . 1 . . . . 100 PRO CA . 25278 1 289 . 1 1 100 100 PRO CB C 13 32.2 0.2 . 1 . . . . 100 PRO CB . 25278 1 290 . 1 1 101 101 GLY H H 1 8.34 0.02 . 1 . . . . 101 GLY H . 25278 1 291 . 1 1 101 101 GLY C C 13 172.2 0.2 . 1 . . . . 101 GLY C . 25278 1 292 . 1 1 101 101 GLY CA C 13 45.6 0.2 . 1 . . . . 101 GLY CA . 25278 1 293 . 1 1 101 101 GLY N N 15 107.8 0.2 . 1 . . . . 101 GLY N . 25278 1 294 . 1 1 102 102 VAL H H 1 8.24 0.02 . 1 . . . . 102 VAL H . 25278 1 295 . 1 1 102 102 VAL C C 13 174.0 0.2 . 1 . . . . 102 VAL C . 25278 1 296 . 1 1 102 102 VAL CA C 13 62.9 0.2 . 1 . . . . 102 VAL CA . 25278 1 297 . 1 1 102 102 VAL CB C 13 31.3 0.2 . 1 . . . . 102 VAL CB . 25278 1 298 . 1 1 102 102 VAL N N 15 122.3 0.2 . 1 . . . . 102 VAL N . 25278 1 299 . 1 1 103 103 TRP H H 1 8.37 0.02 . 1 . . . . 103 TRP H . 25278 1 300 . 1 1 103 103 TRP C C 13 175.9 0.2 . 1 . . . . 103 TRP C . 25278 1 301 . 1 1 103 103 TRP CA C 13 55.0 0.2 . 1 . . . . 103 TRP CA . 25278 1 302 . 1 1 103 103 TRP CB C 13 30.0 0.2 . 1 . . . . 103 TRP CB . 25278 1 303 . 1 1 103 103 TRP N N 15 127.3 0.2 . 1 . . . . 103 TRP N . 25278 1 304 . 1 1 104 104 ILE H H 1 9.44 0.02 . 1 . . . . 104 ILE H . 25278 1 305 . 1 1 104 104 ILE C C 13 175.9 0.2 . 1 . . . . 104 ILE C . 25278 1 306 . 1 1 104 104 ILE CA C 13 59.5 0.2 . 1 . . . . 104 ILE CA . 25278 1 307 . 1 1 104 104 ILE CB C 13 41.0 0.2 . 1 . . . . 104 ILE CB . 25278 1 308 . 1 1 104 104 ILE N N 15 121.8 0.2 . 1 . . . . 104 ILE N . 25278 1 309 . 1 1 105 105 SER H H 1 8.98 0.02 . 1 . . . . 105 SER H . 25278 1 310 . 1 1 105 105 SER C C 13 173.5 0.2 . 1 . . . . 105 SER C . 25278 1 311 . 1 1 105 105 SER CA C 13 57.8 0.2 . 1 . . . . 105 SER CA . 25278 1 312 . 1 1 105 105 SER CB C 13 64.4 0.2 . 1 . . . . 105 SER CB . 25278 1 313 . 1 1 105 105 SER N N 15 123.4 0.2 . 1 . . . . 105 SER N . 25278 1 314 . 1 1 106 106 PHE H H 1 8.61 0.02 . 1 . . . . 106 PHE H . 25278 1 315 . 1 1 106 106 PHE C C 13 172.8 0.2 . 1 . . . . 106 PHE C . 25278 1 316 . 1 1 106 106 PHE CA C 13 56.9 0.2 . 1 . . . . 106 PHE CA . 25278 1 317 . 1 1 106 106 PHE CB C 13 39.4 0.2 . 1 . . . . 106 PHE CB . 25278 1 318 . 1 1 106 106 PHE N N 15 111.8 0.2 . 1 . . . . 106 PHE N . 25278 1 319 . 1 1 107 107 LYS H H 1 8.85 0.02 . 1 . . . . 107 LYS H . 25278 1 320 . 1 1 107 107 LYS C C 13 176.8 0.2 . 1 . . . . 107 LYS C . 25278 1 321 . 1 1 107 107 LYS CA C 13 55.0 0.2 . 1 . . . . 107 LYS CA . 25278 1 322 . 1 1 107 107 LYS CB C 13 36.0 0.2 . 1 . . . . 107 LYS CB . 25278 1 323 . 1 1 107 107 LYS N N 15 120.8 0.2 . 1 . . . . 107 LYS N . 25278 1 324 . 1 1 108 108 ILE H H 1 8.60 0.02 . 1 . . . . 108 ILE H . 25278 1 325 . 1 1 108 108 ILE C C 13 175.3 0.2 . 1 . . . . 108 ILE C . 25278 1 326 . 1 1 108 108 ILE CA C 13 61.3 0.2 . 1 . . . . 108 ILE CA . 25278 1 327 . 1 1 108 108 ILE CB C 13 38.9 0.2 . 1 . . . . 108 ILE CB . 25278 1 328 . 1 1 108 108 ILE N N 15 121.8 0.2 . 1 . . . . 108 ILE N . 25278 1 329 . 1 1 109 109 ASP H H 1 9.14 0.02 . 1 . . . . 109 ASP H . 25278 1 330 . 1 1 109 109 ASP C C 13 175.3 0.2 . 1 . . . . 109 ASP C . 25278 1 331 . 1 1 109 109 ASP CA C 13 56.6 0.2 . 1 . . . . 109 ASP CA . 25278 1 332 . 1 1 109 109 ASP CB C 13 38.7 0.2 . 1 . . . . 109 ASP CB . 25278 1 333 . 1 1 109 109 ASP N N 15 127.3 0.2 . 1 . . . . 109 ASP N . 25278 1 334 . 1 1 110 110 ASP H H 1 8.27 0.02 . 1 . . . . 110 ASP H . 25278 1 335 . 1 1 110 110 ASP C C 13 175.2 0.2 . 1 . . . . 110 ASP C . 25278 1 336 . 1 1 110 110 ASP CA C 13 54.7 0.2 . 1 . . . . 110 ASP CA . 25278 1 337 . 1 1 110 110 ASP CB C 13 40.8 0.2 . 1 . . . . 110 ASP CB . 25278 1 338 . 1 1 110 110 ASP N N 15 121.5 0.2 . 1 . . . . 110 ASP N . 25278 1 339 . 1 1 111 111 ASP H H 1 8.43 0.02 . 1 . . . . 111 ASP H . 25278 1 340 . 1 1 111 111 ASP C C 13 173.5 0.2 . 1 . . . . 111 ASP C . 25278 1 341 . 1 1 111 111 ASP CA C 13 54.0 0.2 . 1 . . . . 111 ASP CA . 25278 1 342 . 1 1 111 111 ASP CB C 13 42.0 0.2 . 1 . . . . 111 ASP CB . 25278 1 343 . 1 1 111 111 ASP N N 15 121.1 0.2 . 1 . . . . 111 ASP N . 25278 1 344 . 1 1 112 112 ASP H H 1 7.87 0.02 . 1 . . . . 112 ASP H . 25278 1 345 . 1 1 112 112 ASP C C 13 174.7 0.2 . 1 . . . . 112 ASP C . 25278 1 346 . 1 1 112 112 ASP CA C 13 53.6 0.2 . 1 . . . . 112 ASP CA . 25278 1 347 . 1 1 112 112 ASP CB C 13 43.5 0.2 . 1 . . . . 112 ASP CB . 25278 1 348 . 1 1 112 112 ASP N N 15 120.2 0.2 . 1 . . . . 112 ASP N . 25278 1 349 . 1 1 113 113 TYR H H 1 8.44 0.02 . 1 . . . . 113 TYR H . 25278 1 350 . 1 1 113 113 TYR C C 13 174.0 0.2 . 1 . . . . 113 TYR C . 25278 1 351 . 1 1 113 113 TYR CA C 13 55.8 0.2 . 1 . . . . 113 TYR CA . 25278 1 352 . 1 1 113 113 TYR CB C 13 43.4 0.2 . 1 . . . . 113 TYR CB . 25278 1 353 . 1 1 113 113 TYR N N 15 120.2 0.2 . 1 . . . . 113 TYR N . 25278 1 354 . 1 1 114 114 TRP H H 1 9.41 0.02 . 1 . . . . 114 TRP H . 25278 1 355 . 1 1 114 114 TRP C C 13 177.6 0.2 . 1 . . . . 114 TRP C . 25278 1 356 . 1 1 114 114 TRP CA C 13 57.2 0.2 . 1 . . . . 114 TRP CA . 25278 1 357 . 1 1 114 114 TRP CB C 13 34.1 0.2 . 1 . . . . 114 TRP CB . 25278 1 358 . 1 1 114 114 TRP N N 15 116.3 0.2 . 1 . . . . 114 TRP N . 25278 1 359 . 1 1 114 114 TRP NE1 N 15 9.54 0.02 . 1 . . . . 114 TRP NE1 . 25278 1 360 . 1 1 115 115 VAL C C 13 173.3 0.2 . 1 . . . . 115 VAL C . 25278 1 361 . 1 1 115 115 VAL CA C 13 61.1 0.2 . 1 . . . . 115 VAL CA . 25278 1 362 . 1 1 115 115 VAL CB C 13 33.1 0.2 . 1 . . . . 115 VAL CB . 25278 1 363 . 1 1 115 115 VAL N N 15 118.9 0.2 . 1 . . . . 115 VAL N . 25278 1 364 . 1 1 116 116 ALA H H 1 8.91 0.02 . 1 . . . . 116 ALA H . 25278 1 365 . 1 1 116 116 ALA C C 13 176.5 0.2 . 1 . . . . 116 ALA C . 25278 1 366 . 1 1 116 116 ALA CA C 13 49.9 0.2 . 1 . . . . 116 ALA CA . 25278 1 367 . 1 1 116 116 ALA CB C 13 18.2 0.2 . 1 . . . . 116 ALA CB . 25278 1 368 . 1 1 116 116 ALA N N 15 127.8 0.2 . 1 . . . . 116 ALA N . 25278 1 369 . 1 1 117 117 LEU H H 1 8.53 0.02 . 1 . . . . 117 LEU H . 25278 1 370 . 1 1 117 117 LEU CA C 13 52.7 0.2 . 1 . . . . 117 LEU CA . 25278 1 371 . 1 1 117 117 LEU CB C 13 43.1 0.2 . 1 . . . . 117 LEU CB . 25278 1 372 . 1 1 117 117 LEU N N 15 121.7 0.2 . 1 . . . . 117 LEU N . 25278 1 373 . 1 1 122 122 LEU C C 13 177.0 0.2 . 1 . . . . 122 LEU C . 25278 1 374 . 1 1 122 122 LEU CA C 13 54.7 0.2 . 1 . . . . 122 LEU CA . 25278 1 375 . 1 1 122 122 LEU CB C 13 41.5 0.2 . 1 . . . . 122 LEU CB . 25278 1 376 . 1 1 123 123 ASP H H 1 8.12 0.02 . 1 . . . . 123 ASP H . 25278 1 377 . 1 1 123 123 ASP C C 13 176.6 0.2 . 1 . . . . 123 ASP C . 25278 1 378 . 1 1 123 123 ASP CA C 13 55.4 0.2 . 1 . . . . 123 ASP CA . 25278 1 379 . 1 1 123 123 ASP CB C 13 40.5 0.2 . 1 . . . . 123 ASP CB . 25278 1 380 . 1 1 123 123 ASP N N 15 118.8 0.2 . 1 . . . . 123 ASP N . 25278 1 381 . 1 1 124 124 THR H H 1 7.91 0.02 . 1 . . . . 124 THR H . 25278 1 382 . 1 1 124 124 THR C C 13 174.9 0.2 . 1 . . . . 124 THR C . 25278 1 383 . 1 1 124 124 THR CA C 13 62.1 0.2 . 1 . . . . 124 THR CA . 25278 1 384 . 1 1 124 124 THR CB C 13 69.1 0.2 . 1 . . . . 124 THR CB . 25278 1 385 . 1 1 124 124 THR N N 15 113.1 0.2 . 1 . . . . 124 THR N . 25278 1 386 . 1 1 125 125 VAL H H 1 8.01 0.02 . 1 . . . . 125 VAL H . 25278 1 387 . 1 1 125 125 VAL C C 13 176.1 0.2 . 1 . . . . 125 VAL C . 25278 1 388 . 1 1 125 125 VAL CA C 13 62.5 0.2 . 1 . . . . 125 VAL CA . 25278 1 389 . 1 1 125 125 VAL CB C 13 31.7 0.2 . 1 . . . . 125 VAL CB . 25278 1 390 . 1 1 125 125 VAL N N 15 120.4 0.2 . 1 . . . . 125 VAL N . 25278 1 391 . 1 1 126 126 THR H H 1 8.06 0.02 . 1 . . . . 126 THR H . 25278 1 392 . 1 1 126 126 THR C C 13 174.3 0.2 . 1 . . . . 126 THR C . 25278 1 393 . 1 1 126 126 THR CA C 13 61.5 0.2 . 1 . . . . 126 THR CA . 25278 1 394 . 1 1 126 126 THR CB C 13 69.4 0.2 . 1 . . . . 126 THR CB . 25278 1 395 . 1 1 126 126 THR N N 15 114.7 0.2 . 1 . . . . 126 THR N . 25278 1 396 . 1 1 127 127 GLY H H 1 7.91 0.02 . 1 . . . . 127 GLY H . 25278 1 397 . 1 1 127 127 GLY C C 13 178.7 0.2 . 1 . . . . 127 GLY C . 25278 1 398 . 1 1 127 127 GLY CA C 13 46.0 0.2 . 1 . . . . 127 GLY CA . 25278 1 399 . 1 1 127 127 GLY N N 15 116.6 0.2 . 1 . . . . 127 GLY N . 25278 1 stop_ save_