data_7280 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7280 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Chemical shift assignment of GB1 domain of protein G' 'Structure analysis' ; The data from this study were used to determine the change in structure of protein G with pressure based on chemical shift changes. ; 7280 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 GB1 7280 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7280 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for non-aromatic parts of GB1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-29 _Entry.Accession_date 2006-08-29 _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 . _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 Richard Tunnicliffe . B. . 7280 2 Mike Williamson . P. . 7280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 7280 '15N chemical shifts' 63 7280 '1H chemical shifts' 364 7280 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 2 . . 2008-07-17 2006-08-29 update BMRB 'complete entry citation' 7280 1 . . 2008-02-04 2006-08-29 original author 'original release' 7280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 1639 'related protein' 7280 BMRB 5875 'related protein' 7280 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7280 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18076052 _Citation.Full_citation . _Citation.Title 'Pressure-Induced Changes in the Solution Structure of the GB1 Domain of Protein G' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 71 _Citation.Journal_issue 3 _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 1432 _Citation.Page_last 1440 _Citation.Year 2008 _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 David Wilton . J. . 7280 1 2 Richard Tunnicliffe . B. . 7280 1 3 Yuji Kamatari . O. . 7280 1 4 Kazuyuki Akasaka . . . 7280 1 5 Mike Williamson . P. . 7280 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID pressure 7280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7280 _Assembly.ID 1 _Assembly.Name 'GB1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 6000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7280 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GB1 domain' 1 $GB1 . . yes native no no 1 . 'ambient pressure and temperature' 7280 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1GB1 . . NMR . 'related protein' . 7280 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'immunoglobulin binding' 7280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GB1 _Entity.Sf_category entity _Entity.Sf_framecode GB1 _Entity.Entry_ID 7280 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GB1 _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 ; AMDTYKLILNGKTLKGETTT EAVDAATAEKVFKQYANDNG VDGEWTYDDATKTFTVTE ; _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 58 _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 . _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 15156 . GB1 . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 2 no BMRB 15380 . GB1 . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 3 no BMRB 16053 . entity . . . . . 93.10 141 98.15 98.15 2.86e-25 . . . . 7280 1 4 no BMRB 16444 . SC35 . . . . . 93.10 158 100.00 100.00 1.55e-28 . . . . 7280 1 5 no BMRB 16627 . Protein_GB1_(2Q6I) . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 6 no BMRB 16670 . NALP1_PYD . . . . . 93.10 159 100.00 100.00 1.38e-28 . . . . 7280 1 7 no BMRB 16755 . N40 . . . . . 68.97 40 100.00 100.00 8.55e-18 . . . . 7280 1 8 no BMRB 16873 . GB1 . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 9 no BMRB 16882 . "Ubiquitin-Binding Motif" . . . . . 93.10 108 100.00 100.00 1.32e-28 . . . . 7280 1 10 no BMRB 16958 . ZCCHC9 . . . . . 93.10 164 100.00 100.00 1.07e-28 . . . . 7280 1 11 no BMRB 17810 . entity . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 12 no BMRB 18397 . GB1 . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 13 no BMRB 19394 . GB1-UBM1 . . . . . 93.10 106 100.00 100.00 6.39e-29 . . . . 7280 1 14 no BMRB 5569 . GB1 . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 15 no BMRB 6280 . dsRBD12 . . . . . 93.10 294 100.00 100.00 6.52e-28 . . . . 7280 1 16 no BMRB 6988 . HGB1-UBA . . . . . 93.10 108 98.15 98.15 7.10e-28 . . . . 7280 1 17 no PDB 1GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 18 no PDB 1IBX . "Nmr Structure Of Dff40 And Dff45 N-Terminal Domain Complex" . . . . . 93.10 145 100.00 100.00 2.73e-28 . . . . 7280 1 19 no PDB 1PGA . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr" . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 20 no PDB 1PGB . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr" . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 21 no PDB 1PN5 . "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" . . . . . 93.10 159 100.00 100.00 1.38e-28 . . . . 7280 1 22 no PDB 2CWB . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 93.10 108 98.15 98.15 7.10e-28 . . . . 7280 1 23 no PDB 2DEN . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 93.10 108 98.15 98.15 7.10e-28 . . . . 7280 1 24 no PDB 2GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 25 no PDB 2GI9 . "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 26 no PDB 2I2Y . "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc" . . . . . 93.10 150 100.00 100.00 3.34e-28 . . . . 7280 1 27 no PDB 2I38 . "Solution Structure Of The Rrm Of Srp20" . . . . . 93.10 150 100.00 100.00 3.34e-28 . . . . 7280 1 28 no PDB 2J52 . "Solution Structure Of Gb1 Domain Protein G And Low And High Pressure." . . . . . 94.83 56 98.18 98.18 7.33e-28 . . . . 7280 1 29 no PDB 2J53 . "Solution Structure Of Gb1 Domain Protein G And Low And High Pressure" . . . . . 94.83 56 98.18 98.18 7.33e-28 . . . . 7280 1 30 no PDB 2JSV . "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 31 no PDB 2JU6 . "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 32 no PDB 2K0P . "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 33 no PDB 2KBT . "Attachment Of An Nmr-Invisible Solubility Enhancement Tag (Inset) Using A Sortase-Mediated Protein Ligation Method" . . . . . 94.83 142 100.00 100.00 1.73e-28 . . . . 7280 1 34 no PDB 2KHU . "Solution Structure Of The Ubiquitin-Binding Motif Of Human Polymerase Iota" . . . . . 93.10 108 100.00 100.00 1.32e-28 . . . . 7280 1 35 no PDB 2KHW . "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" . . . . . 93.10 108 100.00 100.00 1.32e-28 . . . . 7280 1 36 no PDB 2KLK . "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs" . . . . . 93.10 56 98.15 98.15 1.88e-27 . . . . 7280 1 37 no PDB 2KN4 . "The Structure Of The Rrm Domain Of Sc35" . . . . . 93.10 158 100.00 100.00 1.55e-28 . . . . 7280 1 38 no PDB 2KQ4 . "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 39 no PDB 2KWD . "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 40 no PDB 2LGI . "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 41 no PDB 2MBB . "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex" . . . . . 93.10 106 100.00 100.00 6.39e-29 . . . . 7280 1 42 no PDB 2PLP . "Ultra High Resolution Backbone Conformation Of Protein Gb1 From Residual Dipolar Couplings Alone" . . . . . 93.10 54 100.00 100.00 4.17e-28 . . . . 7280 1 43 no PDB 2QMT . "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction" . . . . . 93.10 56 100.00 100.00 2.02e-28 . . . . 7280 1 44 no PDB 2RMM . "Solution Structure Of Gb1 A34f Mutant" . . . . . 93.10 56 98.15 98.15 1.88e-27 . . . . 7280 1 45 no PDB 2RPV . "Solution Structure Of Gb1 With Lbt Probe" . . . . . 93.10 75 98.15 98.15 5.58e-27 . . . . 7280 1 46 no PDB 3GB1 . "Structures Of B1 Domain Of Streptococcal Protein G" . . . . . 94.83 56 100.00 100.00 6.61e-29 . . . . 7280 1 47 no PDB 3MP9 . "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0" . . . . . 100.00 64 100.00 100.00 7.30e-32 . . . . 7280 1 48 no PDB 3UI3 . "Structural And Biochemical Characterization Of Hp0315 From Helicobacter Pylori As A Vapd Protein With An Endoribonuclease Activ" . . . . . 93.10 160 100.00 100.00 7.63e-28 . . . . 7280 1 49 no EMBL CAA37410 . "Protein G' [Streptococcus sp. 'group G']" . . . . . 77.59 185 97.78 100.00 8.18e-20 . . . . 7280 1 50 no GB AAY41168 . "protein G/SspDnaE fusion protein [Expression vector pJJDuet30]" . . . . . 93.10 201 98.15 100.00 1.43e-27 . . . . 7280 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 . ALA . 7280 1 2 . MET . 7280 1 3 . ASP . 7280 1 4 . THR . 7280 1 5 . TYR . 7280 1 6 . LYS . 7280 1 7 . LEU . 7280 1 8 . ILE . 7280 1 9 . LEU . 7280 1 10 . ASN . 7280 1 11 . GLY . 7280 1 12 . LYS . 7280 1 13 . THR . 7280 1 14 . LEU . 7280 1 15 . LYS . 7280 1 16 . GLY . 7280 1 17 . GLU . 7280 1 18 . THR . 7280 1 19 . THR . 7280 1 20 . THR . 7280 1 21 . GLU . 7280 1 22 . ALA . 7280 1 23 . VAL . 7280 1 24 . ASP . 7280 1 25 . ALA . 7280 1 26 . ALA . 7280 1 27 . THR . 7280 1 28 . ALA . 7280 1 29 . GLU . 7280 1 30 . LYS . 7280 1 31 . VAL . 7280 1 32 . PHE . 7280 1 33 . LYS . 7280 1 34 . GLN . 7280 1 35 . TYR . 7280 1 36 . ALA . 7280 1 37 . ASN . 7280 1 38 . ASP . 7280 1 39 . ASN . 7280 1 40 . GLY . 7280 1 41 . VAL . 7280 1 42 . ASP . 7280 1 43 . GLY . 7280 1 44 . GLU . 7280 1 45 . TRP . 7280 1 46 . THR . 7280 1 47 . TYR . 7280 1 48 . ASP . 7280 1 49 . ASP . 7280 1 50 . ALA . 7280 1 51 . THR . 7280 1 52 . LYS . 7280 1 53 . THR . 7280 1 54 . PHE . 7280 1 55 . THR . 7280 1 56 . VAL . 7280 1 57 . THR . 7280 1 58 . GLU . 7280 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 . ALA 1 1 7280 1 . MET 2 2 7280 1 . ASP 3 3 7280 1 . THR 4 4 7280 1 . TYR 5 5 7280 1 . LYS 6 6 7280 1 . LEU 7 7 7280 1 . ILE 8 8 7280 1 . LEU 9 9 7280 1 . ASN 10 10 7280 1 . GLY 11 11 7280 1 . LYS 12 12 7280 1 . THR 13 13 7280 1 . LEU 14 14 7280 1 . LYS 15 15 7280 1 . GLY 16 16 7280 1 . GLU 17 17 7280 1 . THR 18 18 7280 1 . THR 19 19 7280 1 . THR 20 20 7280 1 . GLU 21 21 7280 1 . ALA 22 22 7280 1 . VAL 23 23 7280 1 . ASP 24 24 7280 1 . ALA 25 25 7280 1 . ALA 26 26 7280 1 . THR 27 27 7280 1 . ALA 28 28 7280 1 . GLU 29 29 7280 1 . LYS 30 30 7280 1 . VAL 31 31 7280 1 . PHE 32 32 7280 1 . LYS 33 33 7280 1 . GLN 34 34 7280 1 . TYR 35 35 7280 1 . ALA 36 36 7280 1 . ASN 37 37 7280 1 . ASP 38 38 7280 1 . ASN 39 39 7280 1 . GLY 40 40 7280 1 . VAL 41 41 7280 1 . ASP 42 42 7280 1 . GLY 43 43 7280 1 . GLU 44 44 7280 1 . TRP 45 45 7280 1 . THR 46 46 7280 1 . TYR 47 47 7280 1 . ASP 48 48 7280 1 . ASP 49 49 7280 1 . ALA 50 50 7280 1 . THR 51 51 7280 1 . LYS 52 52 7280 1 . THR 53 53 7280 1 . PHE 54 54 7280 1 . THR 55 55 7280 1 . VAL 56 56 7280 1 . THR 57 57 7280 1 . GLU 58 58 7280 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 7280 _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 $GB1 . 1301 organism no Streptococcus Streptococcus . . Eubacteria . Streptococcus . . . . . . . . . . . . . . . . . . . . . . 7280 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 7280 _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 $GB1 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GB1 '[U-13C; U-15N]' . . 1 $GB1 . protein 2 . . mM 0.4 . . . 7280 1 2 'sodium acetate' [U-2H] . . . . . salt 100 . . mM 5 . . . 7280 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7280 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.4 0.1 pH 7280 1 temperature 298 1 K 7280 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7280 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7280 _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 'triple resonance' no 1 $triple_resonance . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7280 1 stop_ save_ save_triple_resonance _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode triple_resonance _NMR_spec_expt.Entry_ID 7280 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'triple resonance' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7280 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7280 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7280 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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 'triple resonance' 1 $sample_1 isotropic 7280 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 ALA H H 1 8.41 0.01 . 1 . . . . 1 ALA H . 7280 1 2 . 1 1 1 1 ALA HA H 1 4.20 0.01 . 1 . . . . 1 ALA HA . 7280 1 3 . 1 1 1 1 ALA HB1 H 1 1.29 0.01 . 1 . . . . 1 ALA HB . 7280 1 4 . 1 1 1 1 ALA HB2 H 1 1.29 0.01 . 1 . . . . 1 ALA HB . 7280 1 5 . 1 1 1 1 ALA HB3 H 1 1.29 0.01 . 1 . . . . 1 ALA HB . 7280 1 6 . 1 1 1 1 ALA CA C 13 52.67 0.1 . 1 . . . . 1 ALA CA . 7280 1 7 . 1 1 1 1 ALA CB C 13 19.31 0.1 . 1 . . . . 1 ALA CB . 7280 1 8 . 1 1 1 1 ALA N N 15 125.6 0.1 . 1 . . . . 1 ALA N . 7280 1 9 . 1 1 2 2 MET H H 1 8.09 0.01 . 1 . . . . 2 MET H . 7280 1 10 . 1 1 2 2 MET HG2 H 1 2.25 0.01 . 1 . . . . 2 MET HG2 . 7280 1 11 . 1 1 2 2 MET HG3 H 1 2.25 0.01 . 1 . . . . 2 MET HG3 . 7280 1 12 . 1 1 2 2 MET HE1 H 1 1.91 0.01 . 1 . . . . 2 MET HE . 7280 1 13 . 1 1 2 2 MET HE2 H 1 1.91 0.01 . 1 . . . . 2 MET HE . 7280 1 14 . 1 1 2 2 MET HE3 H 1 1.91 0.01 . 1 . . . . 2 MET HE . 7280 1 15 . 1 1 2 2 MET CA C 13 55.24 0.1 . 1 . . . . 2 MET CA . 7280 1 16 . 1 1 2 2 MET CB C 13 35.00 0.1 . 1 . . . . 2 MET CB . 7280 1 17 . 1 1 2 2 MET CG C 13 32.53 0.1 . 1 . . . . 2 MET CG . 7280 1 18 . 1 1 2 2 MET CE C 13 17.44 0.1 . 1 . . . . 2 MET CE . 7280 1 19 . 1 1 2 2 MET N N 15 117.8 0.1 . 1 . . . . 2 MET N . 7280 1 20 . 1 1 3 3 ASP H H 1 8.27 0.01 . 1 . . . . 3 ASP H . 7280 1 21 . 1 1 3 3 ASP HA H 1 4.89 0.01 . 1 . . . . 3 ASP HA . 7280 1 22 . 1 1 3 3 ASP HB2 H 1 2.45 0.01 . 2 . . . . 3 ASP HB2 . 7280 1 23 . 1 1 3 3 ASP HB3 H 1 2.19 0.01 . 2 . . . . 3 ASP HB3 . 7280 1 24 . 1 1 3 3 ASP CA C 13 53.49 0.1 . 1 . . . . 3 ASP CA . 7280 1 25 . 1 1 3 3 ASP CB C 13 44.11 0.1 . 1 . . . . 3 ASP CB . 7280 1 26 . 1 1 3 3 ASP N N 15 120.7 0.1 . 1 . . . . 3 ASP N . 7280 1 27 . 1 1 4 4 THR H H 1 8.38 0.01 . 1 . . . . 4 THR H . 7280 1 28 . 1 1 4 4 THR HA H 1 4.75 0.01 . 1 . . . . 4 THR HA . 7280 1 29 . 1 1 4 4 THR HB H 1 3.82 0.01 . 1 . . . . 4 THR HB . 7280 1 30 . 1 1 4 4 THR HG21 H 1 1.12 0.01 . 1 . . . . 4 THR HG2 . 7280 1 31 . 1 1 4 4 THR HG22 H 1 1.12 0.01 . 1 . . . . 4 THR HG2 . 7280 1 32 . 1 1 4 4 THR HG23 H 1 1.12 0.01 . 1 . . . . 4 THR HG2 . 7280 1 33 . 1 1 4 4 THR CA C 13 63.13 0.1 . 1 . . . . 4 THR CA . 7280 1 34 . 1 1 4 4 THR CB C 13 69.50 0.1 . 1 . . . . 4 THR CB . 7280 1 35 . 1 1 4 4 THR CG2 C 13 21.72 0.1 . 1 . . . . 4 THR CG2 . 7280 1 36 . 1 1 4 4 THR N N 15 115.8 0.1 . 1 . . . . 4 THR N . 7280 1 37 . 1 1 5 5 TYR H H 1 9.37 0.01 . 1 . . . . 5 TYR H . 7280 1 38 . 1 1 5 5 TYR HA H 1 5.23 0.01 . 1 . . . . 5 TYR HA . 7280 1 39 . 1 1 5 5 TYR HB2 H 1 3.23 0.01 . 1 . . . . 5 TYR HB2 . 7280 1 40 . 1 1 5 5 TYR HB3 H 1 2.74 0.01 . 1 . . . . 5 TYR HB3 . 7280 1 41 . 1 1 5 5 TYR CA C 13 56.95 0.1 . 1 . . . . 5 TYR CA . 7280 1 42 . 1 1 5 5 TYR CB C 13 42.97 0.1 . 1 . . . . 5 TYR CB . 7280 1 43 . 1 1 5 5 TYR N N 15 126.8 0.1 . 1 . . . . 5 TYR N . 7280 1 44 . 1 1 6 6 LYS H H 1 9.06 0.01 . 1 . . . . 6 LYS H . 7280 1 45 . 1 1 6 6 LYS HA H 1 5.13 0.01 . 1 . . . . 6 LYS HA . 7280 1 46 . 1 1 6 6 LYS HB2 H 1 1.95 0.01 . 2 . . . . 6 LYS HB2 . 7280 1 47 . 1 1 6 6 LYS HB3 H 1 1.76 0.01 . 2 . . . . 6 LYS HB3 . 7280 1 48 . 1 1 6 6 LYS HG2 H 1 1.39 0.01 . 2 . . . . 6 LYS HG2 . 7280 1 49 . 1 1 6 6 LYS HG3 H 1 1.24 0.01 . 2 . . . . 6 LYS HG3 . 7280 1 50 . 1 1 6 6 LYS HD2 H 1 1.52 0.01 . 1 . . . . 6 LYS HD2 . 7280 1 51 . 1 1 6 6 LYS HD3 H 1 1.52 0.01 . 1 . . . . 6 LYS HD3 . 7280 1 52 . 1 1 6 6 LYS HE2 H 1 2.80 0.01 . 1 . . . . 6 LYS HE2 . 7280 1 53 . 1 1 6 6 LYS HE3 H 1 2.80 0.01 . 1 . . . . 6 LYS HE3 . 7280 1 54 . 1 1 6 6 LYS CA C 13 55.10 0.1 . 1 . . . . 6 LYS CA . 7280 1 55 . 1 1 6 6 LYS CB C 13 35.85 0.1 . 1 . . . . 6 LYS CB . 7280 1 56 . 1 1 6 6 LYS CG C 13 25.53 0.1 . 1 . . . . 6 LYS CG . 7280 1 57 . 1 1 6 6 LYS CD C 13 29.03 0.1 . 1 . . . . 6 LYS CD . 7280 1 58 . 1 1 6 6 LYS CE C 13 41.97 0.1 . 1 . . . . 6 LYS CE . 7280 1 59 . 1 1 6 6 LYS N N 15 122.5 0.1 . 1 . . . . 6 LYS N . 7280 1 60 . 1 1 7 7 LEU H H 1 8.55 0.01 . 1 . . . . 7 LEU H . 7280 1 61 . 1 1 7 7 LEU HA H 1 4.85 0.01 . 1 . . . . 7 LEU HA . 7280 1 62 . 1 1 7 7 LEU HB2 H 1 0.67 0.01 . 2 . . . . 7 LEU HB2 . 7280 1 63 . 1 1 7 7 LEU HB3 H 1 -1.21 0.01 . 2 . . . . 7 LEU HB3 . 7280 1 64 . 1 1 7 7 LEU HG H 1 0.78 0.01 . 1 . . . . 7 LEU HG . 7280 1 65 . 1 1 7 7 LEU HD11 H 1 0.50 0.01 . 2 . . . . 7 LEU HD1 . 7280 1 66 . 1 1 7 7 LEU HD12 H 1 0.50 0.01 . 2 . . . . 7 LEU HD1 . 7280 1 67 . 1 1 7 7 LEU HD13 H 1 0.50 0.01 . 2 . . . . 7 LEU HD1 . 7280 1 68 . 1 1 7 7 LEU HD21 H 1 0.45 0.01 . 2 . . . . 7 LEU HD2 . 7280 1 69 . 1 1 7 7 LEU HD22 H 1 0.45 0.01 . 2 . . . . 7 LEU HD2 . 7280 1 70 . 1 1 7 7 LEU HD23 H 1 0.45 0.01 . 2 . . . . 7 LEU HD2 . 7280 1 71 . 1 1 7 7 LEU CA C 13 52.67 0.1 . 1 . . . . 7 LEU CA . 7280 1 72 . 1 1 7 7 LEU CB C 13 42.66 0.1 . 1 . . . . 7 LEU CB . 7280 1 73 . 1 1 7 7 LEU CG C 13 26.88 0.1 . 1 . . . . 7 LEU CG . 7280 1 74 . 1 1 7 7 LEU CD1 C 13 25.80 0.1 . 2 . . . . 7 LEU CD1 . 7280 1 75 . 1 1 7 7 LEU CD2 C 13 24.44 0.1 . 2 . . . . 7 LEU CD2 . 7280 1 76 . 1 1 7 7 LEU N N 15 126.5 0.1 . 1 . . . . 7 LEU N . 7280 1 77 . 1 1 8 8 ILE H H 1 9.05 0.01 . 1 . . . . 8 ILE H . 7280 1 78 . 1 1 8 8 ILE HA H 1 4.22 0.01 . 1 . . . . 8 ILE HA . 7280 1 79 . 1 1 8 8 ILE HB H 1 1.91 0.01 . 1 . . . . 8 ILE HB . 7280 1 80 . 1 1 8 8 ILE HG12 H 1 1.31 0.01 . 2 . . . . 8 ILE HG12 . 7280 1 81 . 1 1 8 8 ILE HG13 H 1 0.99 0.01 . 2 . . . . 8 ILE HG13 . 7280 1 82 . 1 1 8 8 ILE HG21 H 1 0.71 0.01 . 1 . . . . 8 ILE HG2 . 7280 1 83 . 1 1 8 8 ILE HG22 H 1 0.71 0.01 . 1 . . . . 8 ILE HG2 . 7280 1 84 . 1 1 8 8 ILE HG23 H 1 0.71 0.01 . 1 . . . . 8 ILE HG2 . 7280 1 85 . 1 1 8 8 ILE HD11 H 1 0.67 0.01 . 1 . . . . 8 ILE HD1 . 7280 1 86 . 1 1 8 8 ILE HD12 H 1 0.67 0.01 . 1 . . . . 8 ILE HD1 . 7280 1 87 . 1 1 8 8 ILE HD13 H 1 0.67 0.01 . 1 . . . . 8 ILE HD1 . 7280 1 88 . 1 1 8 8 ILE CA C 13 60.37 0.1 . 1 . . . . 8 ILE CA . 7280 1 89 . 1 1 8 8 ILE CB C 13 37.84 0.1 . 1 . . . . 8 ILE CB . 7280 1 90 . 1 1 8 8 ILE CG1 C 13 27.14 0.1 . 1 . . . . 8 ILE CG1 . 7280 1 91 . 1 1 8 8 ILE CG2 C 13 16.91 0.1 . 1 . . . . 8 ILE CG2 . 7280 1 92 . 1 1 8 8 ILE CD1 C 13 12.60 0.1 . 1 . . . . 8 ILE CD1 . 7280 1 93 . 1 1 8 8 ILE N N 15 126.3 0.1 . 1 . . . . 8 ILE N . 7280 1 94 . 1 1 9 9 LEU H H 1 8.66 0.01 . 1 . . . . 9 LEU H . 7280 1 95 . 1 1 9 9 LEU HA H 1 4.37 0.01 . 1 . . . . 9 LEU HA . 7280 1 96 . 1 1 9 9 LEU HB2 H 1 1.36 0.01 . 2 . . . . 9 LEU HB2 . 7280 1 97 . 1 1 9 9 LEU HB3 H 1 1.26 0.01 . 2 . . . . 9 LEU HB3 . 7280 1 98 . 1 1 9 9 LEU HG H 1 1.19 0.01 . 1 . . . . 9 LEU HG . 7280 1 99 . 1 1 9 9 LEU HD11 H 1 0.67 0.01 . 1 . . . . 9 LEU HD1 . 7280 1 100 . 1 1 9 9 LEU HD12 H 1 0.67 0.01 . 1 . . . . 9 LEU HD1 . 7280 1 101 . 1 1 9 9 LEU HD13 H 1 0.67 0.01 . 1 . . . . 9 LEU HD1 . 7280 1 102 . 1 1 9 9 LEU HD21 H 1 0.67 0.01 . 1 . . . . 9 LEU HD2 . 7280 1 103 . 1 1 9 9 LEU HD22 H 1 0.67 0.01 . 1 . . . . 9 LEU HD2 . 7280 1 104 . 1 1 9 9 LEU HD23 H 1 0.67 0.01 . 1 . . . . 9 LEU HD2 . 7280 1 105 . 1 1 9 9 LEU CA C 13 54.43 0.1 . 1 . . . . 9 LEU CA . 7280 1 106 . 1 1 9 9 LEU CB C 13 41.95 0.1 . 1 . . . . 9 LEU CB . 7280 1 107 . 1 1 9 9 LEU CG C 13 27.14 0.1 . 1 . . . . 9 LEU CG . 7280 1 108 . 1 1 9 9 LEU CD1 C 13 25.78 0.1 . 1 . . . . 9 LEU CD1 . 7280 1 109 . 1 1 9 9 LEU CD2 C 13 25.78 0.1 . 1 . . . . 9 LEU CD2 . 7280 1 110 . 1 1 9 9 LEU N N 15 125.7 0.1 . 1 . . . . 9 LEU N . 7280 1 111 . 1 1 10 10 ASN H H 1 8.87 0.01 . 1 . . . . 10 ASN H . 7280 1 112 . 1 1 10 10 ASN HA H 1 5.20 0.01 . 1 . . . . 10 ASN HA . 7280 1 113 . 1 1 10 10 ASN HB2 H 1 2.93 0.01 . 2 . . . . 10 ASN HB2 . 7280 1 114 . 1 1 10 10 ASN HB3 H 1 2.43 0.01 . 2 . . . . 10 ASN HB3 . 7280 1 115 . 1 1 10 10 ASN HD21 H 1 7.11 0.01 . 2 . . . . 10 ASN HD21 . 7280 1 116 . 1 1 10 10 ASN HD22 H 1 6.73 0.01 . 2 . . . . 10 ASN HD22 . 7280 1 117 . 1 1 10 10 ASN CA C 13 51.00 0.1 . 1 . . . . 10 ASN CA . 7280 1 118 . 1 1 10 10 ASN CB C 13 37.84 0.1 . 1 . . . . 10 ASN CB . 7280 1 119 . 1 1 10 10 ASN N N 15 126.5 0.1 . 1 . . . . 10 ASN N . 7280 1 120 . 1 1 10 10 ASN ND2 N 15 111.3 0.1 . 1 . . . . 10 ASN ND2 . 7280 1 121 . 1 1 11 11 GLY H H 1 7.88 0.01 . 1 . . . . 11 GLY H . 7280 1 122 . 1 1 11 11 GLY HA2 H 1 4.32 0.01 . 2 . . . . 11 GLY HA2 . 7280 1 123 . 1 1 11 11 GLY HA3 H 1 3.97 0.01 . 2 . . . . 11 GLY HA3 . 7280 1 124 . 1 1 11 11 GLY CA C 13 44.97 0.1 . 1 . . . . 11 GLY CA . 7280 1 125 . 1 1 11 11 GLY N N 15 109.6 0.1 . 1 . . . . 11 GLY N . 7280 1 126 . 1 1 12 12 LYS H H 1 9.42 0.01 . 1 . . . . 12 LYS H . 7280 1 127 . 1 1 12 12 LYS HA H 1 3.99 0.01 . 1 . . . . 12 LYS HA . 7280 1 128 . 1 1 12 12 LYS HB2 H 1 1.74 0.01 . 1 . . . . 12 LYS HB2 . 7280 1 129 . 1 1 12 12 LYS HB3 H 1 1.74 0.01 . 1 . . . . 12 LYS HB3 . 7280 1 130 . 1 1 12 12 LYS HG2 H 1 1.38 0.01 . 1 . . . . 12 LYS HG2 . 7280 1 131 . 1 1 12 12 LYS HG3 H 1 1.38 0.01 . 1 . . . . 12 LYS HG3 . 7280 1 132 . 1 1 12 12 LYS HD2 H 1 1.60 0.01 . 1 . . . . 12 LYS HD2 . 7280 1 133 . 1 1 12 12 LYS HD3 H 1 1.60 0.01 . 1 . . . . 12 LYS HD3 . 7280 1 134 . 1 1 12 12 LYS HE2 H 1 2.92 0.01 . 1 . . . . 12 LYS HE2 . 7280 1 135 . 1 1 12 12 LYS HE3 H 1 2.92 0.01 . 1 . . . . 12 LYS HE3 . 7280 1 136 . 1 1 12 12 LYS CA C 13 59.06 0.1 . 1 . . . . 12 LYS CA . 7280 1 137 . 1 1 12 12 LYS CB C 13 32.54 0.1 . 1 . . . . 12 LYS CB . 7280 1 138 . 1 1 12 12 LYS CG C 13 25.26 0.1 . 1 . . . . 12 LYS CG . 7280 1 139 . 1 1 12 12 LYS CD C 13 29.02 0.1 . 1 . . . . 12 LYS CD . 7280 1 140 . 1 1 12 12 LYS CE C 13 42.62 0.1 . 1 . . . . 12 LYS CE . 7280 1 141 . 1 1 12 12 LYS N N 15 121.1 0.1 . 1 . . . . 12 LYS N . 7280 1 142 . 1 1 13 13 THR H H 1 8.75 0.01 . 1 . . . . 13 THR H . 7280 1 143 . 1 1 13 13 THR HA H 1 4.30 0.01 . 1 . . . . 13 THR HA . 7280 1 144 . 1 1 13 13 THR HB H 1 4.15 0.01 . 1 . . . . 13 THR HB . 7280 1 145 . 1 1 13 13 THR HG21 H 1 1.06 0.01 . 1 . . . . 13 THR HG2 . 7280 1 146 . 1 1 13 13 THR HG22 H 1 1.06 0.01 . 1 . . . . 13 THR HG2 . 7280 1 147 . 1 1 13 13 THR HG23 H 1 1.06 0.01 . 1 . . . . 13 THR HG2 . 7280 1 148 . 1 1 13 13 THR CA C 13 61.86 0.1 . 1 . . . . 13 THR CA . 7280 1 149 . 1 1 13 13 THR CB C 13 69.76 0.1 . 1 . . . . 13 THR CB . 7280 1 150 . 1 1 13 13 THR CG2 C 13 21.76 0.1 . 1 . . . . 13 THR CG2 . 7280 1 151 . 1 1 13 13 THR N N 15 108.5 0.1 . 1 . . . . 13 THR N . 7280 1 152 . 1 1 14 14 LEU H H 1 7.33 0.01 . 1 . . . . 14 LEU H . 7280 1 153 . 1 1 14 14 LEU HA H 1 4.38 0.01 . 1 . . . . 14 LEU HA . 7280 1 154 . 1 1 14 14 LEU HB2 H 1 1.48 0.01 . 2 . . . . 14 LEU HB2 . 7280 1 155 . 1 1 14 14 LEU HB3 H 1 1.33 0.01 . 2 . . . . 14 LEU HB3 . 7280 1 156 . 1 1 14 14 LEU HG H 1 1.33 0.01 . 1 . . . . 14 LEU HG . 7280 1 157 . 1 1 14 14 LEU HD11 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1 . 7280 1 158 . 1 1 14 14 LEU HD12 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1 . 7280 1 159 . 1 1 14 14 LEU HD13 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1 . 7280 1 160 . 1 1 14 14 LEU HD21 H 1 0.80 0.01 . 2 . . . . 14 LEU HD2 . 7280 1 161 . 1 1 14 14 LEU HD22 H 1 0.80 0.01 . 2 . . . . 14 LEU HD2 . 7280 1 162 . 1 1 14 14 LEU HD23 H 1 0.80 0.01 . 2 . . . . 14 LEU HD2 . 7280 1 163 . 1 1 14 14 LEU CA C 13 55.11 0.1 . 1 . . . . 14 LEU CA . 7280 1 164 . 1 1 14 14 LEU CB C 13 43.31 0.1 . 1 . . . . 14 LEU CB . 7280 1 165 . 1 1 14 14 LEU CG C 13 27.38 0.1 . 1 . . . . 14 LEU CG . 7280 1 166 . 1 1 14 14 LEU CD1 C 13 25.25 0.1 . 1 . . . . 14 LEU CD1 . 7280 1 167 . 1 1 14 14 LEU CD2 C 13 24.17 0.1 . 1 . . . . 14 LEU CD2 . 7280 1 168 . 1 1 14 14 LEU N N 15 125.5 0.1 . 1 . . . . 14 LEU N . 7280 1 169 . 1 1 15 15 LYS H H 1 8.07 0.01 . 1 . . . . 15 LYS H . 7280 1 170 . 1 1 15 15 LYS HA H 1 5.09 0.01 . 1 . . . . 15 LYS HA . 7280 1 171 . 1 1 15 15 LYS HB2 H 1 1.82 0.01 . 2 . . . . 15 LYS HB2 . 7280 1 172 . 1 1 15 15 LYS HB3 H 1 1.64 0.01 . 2 . . . . 15 LYS HB3 . 7280 1 173 . 1 1 15 15 LYS HG2 H 1 1.38 0.01 . 1 . . . . 15 LYS HG2 . 7280 1 174 . 1 1 15 15 LYS HG3 H 1 1.38 0.01 . 1 . . . . 15 LYS HG3 . 7280 1 175 . 1 1 15 15 LYS HD2 H 1 1.60 0.01 . 1 . . . . 15 LYS HD2 . 7280 1 176 . 1 1 15 15 LYS HD3 H 1 1.60 0.01 . 1 . . . . 15 LYS HD3 . 7280 1 177 . 1 1 15 15 LYS HE2 H 1 2.93 0.01 . 1 . . . . 15 LYS HE2 . 7280 1 178 . 1 1 15 15 LYS HE3 H 1 2.93 0.01 . 1 . . . . 15 LYS HE3 . 7280 1 179 . 1 1 15 15 LYS CA C 13 53.79 0.1 . 1 . . . . 15 LYS CA . 7280 1 180 . 1 1 15 15 LYS CB C 13 34.66 0.1 . 1 . . . . 15 LYS CB . 7280 1 181 . 1 1 15 15 LYS CG C 13 25.24 0.1 . 1 . . . . 15 LYS CG . 7280 1 182 . 1 1 15 15 LYS CD C 13 29.02 0.1 . 1 . . . . 15 LYS CD . 7280 1 183 . 1 1 15 15 LYS CE C 13 42.78 0.1 . 1 . . . . 15 LYS CE . 7280 1 184 . 1 1 15 15 LYS N N 15 123.8 0.1 . 1 . . . . 15 LYS N . 7280 1 185 . 1 1 16 16 GLY H H 1 8.38 0.01 . 1 . . . . 16 GLY H . 7280 1 186 . 1 1 16 16 GLY HA2 H 1 4.16 0.01 . 1 . . . . 16 GLY HA2 . 7280 1 187 . 1 1 16 16 GLY HA3 H 1 4.16 0.01 . 1 . . . . 16 GLY HA3 . 7280 1 188 . 1 1 16 16 GLY CA C 13 45.26 0.1 . 1 . . . . 16 GLY CA . 7280 1 189 . 1 1 16 16 GLY N N 15 109.3 0.1 . 1 . . . . 16 GLY N . 7280 1 190 . 1 1 17 17 GLU H H 1 8.37 0.01 . 1 . . . . 17 GLU H . 7280 1 191 . 1 1 17 17 GLU HA H 1 5.52 0.01 . 1 . . . . 17 GLU HA . 7280 1 192 . 1 1 17 17 GLU HB2 H 1 1.94 0.01 . 2 . . . . 17 GLU HB2 . 7280 1 193 . 1 1 17 17 GLU HB3 H 1 1.85 0.01 . 2 . . . . 17 GLU HB3 . 7280 1 194 . 1 1 17 17 GLU HG2 H 1 2.07 0.01 . 1 . . . . 17 GLU HG2 . 7280 1 195 . 1 1 17 17 GLU HG3 H 1 2.07 0.01 . 1 . . . . 17 GLU HG3 . 7280 1 196 . 1 1 17 17 GLU CA C 13 54.68 0.1 . 1 . . . . 17 GLU CA . 7280 1 197 . 1 1 17 17 GLU CB C 13 33.57 0.1 . 1 . . . . 17 GLU CB . 7280 1 198 . 1 1 17 17 GLU CG C 13 35.46 0.1 . 1 . . . . 17 GLU CG . 7280 1 199 . 1 1 17 17 GLU N N 15 118.7 0.1 . 1 . . . . 17 GLU N . 7280 1 200 . 1 1 18 18 THR H H 1 8.66 0.01 . 1 . . . . 18 THR H . 7280 1 201 . 1 1 18 18 THR HA H 1 4.64 0.01 . 1 . . . . 18 THR HA . 7280 1 202 . 1 1 18 18 THR HB H 1 3.80 0.01 . 1 . . . . 18 THR HB . 7280 1 203 . 1 1 18 18 THR HG21 H 1 0.29 0.01 . 1 . . . . 18 THR HG2 . 7280 1 204 . 1 1 18 18 THR HG22 H 1 0.29 0.01 . 1 . . . . 18 THR HG2 . 7280 1 205 . 1 1 18 18 THR HG23 H 1 0.29 0.01 . 1 . . . . 18 THR HG2 . 7280 1 206 . 1 1 18 18 THR CA C 13 60.45 0.1 . 1 . . . . 18 THR CA . 7280 1 207 . 1 1 18 18 THR CB C 13 69.31 0.1 . 1 . . . . 18 THR CB . 7280 1 208 . 1 1 18 18 THR CG2 C 13 19.06 0.1 . 1 . . . . 18 THR CG2 . 7280 1 209 . 1 1 18 18 THR N N 15 115.8 0.1 . 1 . . . . 18 THR N . 7280 1 210 . 1 1 19 19 THR H H 1 7.98 0.01 . 1 . . . . 19 THR H . 7280 1 211 . 1 1 19 19 THR HA H 1 5.78 0.01 . 1 . . . . 19 THR HA . 7280 1 212 . 1 1 19 19 THR HB H 1 4.27 0.01 . 1 . . . . 19 THR HB . 7280 1 213 . 1 1 19 19 THR HG21 H 1 1.11 0.01 . 1 . . . . 19 THR HG2 . 7280 1 214 . 1 1 19 19 THR HG22 H 1 1.11 0.01 . 1 . . . . 19 THR HG2 . 7280 1 215 . 1 1 19 19 THR HG23 H 1 1.11 0.01 . 1 . . . . 19 THR HG2 . 7280 1 216 . 1 1 19 19 THR CA C 13 59.77 0.1 . 1 . . . . 19 THR CA . 7280 1 217 . 1 1 19 19 THR CB C 13 73.38 0.1 . 1 . . . . 19 THR CB . 7280 1 218 . 1 1 19 19 THR CG2 C 13 21.49 0.1 . 1 . . . . 19 THR CG2 . 7280 1 219 . 1 1 19 19 THR N N 15 111.2 0.1 . 1 . . . . 19 THR N . 7280 1 220 . 1 1 20 20 THR H H 1 9.04 0.01 . 1 . . . . 20 THR H . 7280 1 221 . 1 1 20 20 THR HA H 1 4.61 0.01 . 1 . . . . 20 THR HA . 7280 1 222 . 1 1 20 20 THR HB H 1 3.82 0.01 . 1 . . . . 20 THR HB . 7280 1 223 . 1 1 20 20 THR HG21 H 1 0.41 0.01 . 1 . . . . 20 THR HG2 . 7280 1 224 . 1 1 20 20 THR HG22 H 1 0.41 0.01 . 1 . . . . 20 THR HG2 . 7280 1 225 . 1 1 20 20 THR HG23 H 1 0.41 0.01 . 1 . . . . 20 THR HG2 . 7280 1 226 . 1 1 20 20 THR CA C 13 62.25 0.1 . 1 . . . . 20 THR CA . 7280 1 227 . 1 1 20 20 THR CB C 13 69.93 0.1 . 1 . . . . 20 THR CB . 7280 1 228 . 1 1 20 20 THR CG2 C 13 19.06 0.1 . 1 . . . . 20 THR CG2 . 7280 1 229 . 1 1 20 20 THR N N 15 114.5 0.1 . 1 . . . . 20 THR N . 7280 1 230 . 1 1 21 21 GLU H H 1 7.96 0.01 . 1 . . . . 21 GLU H . 7280 1 231 . 1 1 21 21 GLU HA H 1 5.50 0.01 . 1 . . . . 21 GLU HA . 7280 1 232 . 1 1 21 21 GLU HB2 H 1 1.87 0.01 . 2 . . . . 21 GLU HB2 . 7280 1 233 . 1 1 21 21 GLU HB3 H 1 1.83 0.01 . 2 . . . . 21 GLU HB3 . 7280 1 234 . 1 1 21 21 GLU HG2 H 1 2.16 0.01 . 1 . . . . 21 GLU HG2 . 7280 1 235 . 1 1 21 21 GLU HG3 H 1 2.16 0.01 . 1 . . . . 21 GLU HG3 . 7280 1 236 . 1 1 21 21 GLU CA C 13 54.95 0.1 . 1 . . . . 21 GLU CA . 7280 1 237 . 1 1 21 21 GLU CB C 13 31.28 0.1 . 1 . . . . 21 GLU CB . 7280 1 238 . 1 1 21 21 GLU CG C 13 36.51 0.1 . 1 . . . . 21 GLU CG . 7280 1 239 . 1 1 21 21 GLU N N 15 124.4 0.1 . 1 . . . . 21 GLU N . 7280 1 240 . 1 1 22 22 ALA H H 1 9.12 0.01 . 1 . . . . 22 ALA H . 7280 1 241 . 1 1 22 22 ALA HA H 1 4.82 0.01 . 1 . . . . 22 ALA HA . 7280 1 242 . 1 1 22 22 ALA HB1 H 1 1.22 0.01 . 1 . . . . 22 ALA HB . 7280 1 243 . 1 1 22 22 ALA HB2 H 1 1.22 0.01 . 1 . . . . 22 ALA HB . 7280 1 244 . 1 1 22 22 ALA HB3 H 1 1.22 0.01 . 1 . . . . 22 ALA HB . 7280 1 245 . 1 1 22 22 ALA CA C 13 51.12 0.1 . 1 . . . . 22 ALA CA . 7280 1 246 . 1 1 22 22 ALA CB C 13 23.75 0.1 . 1 . . . . 22 ALA CB . 7280 1 247 . 1 1 22 22 ALA N N 15 124.2 0.1 . 1 . . . . 22 ALA N . 7280 1 248 . 1 1 23 23 VAL H H 1 8.59 0.01 . 1 . . . . 23 VAL H . 7280 1 249 . 1 1 23 23 VAL HA H 1 4.23 0.01 . 1 . . . . 23 VAL HA . 7280 1 250 . 1 1 23 23 VAL HB H 1 2.09 0.01 . 1 . . . . 23 VAL HB . 7280 1 251 . 1 1 23 23 VAL HG11 H 1 0.90 0.01 . 2 . . . . 23 VAL HG1 . 7280 1 252 . 1 1 23 23 VAL HG12 H 1 0.90 0.01 . 2 . . . . 23 VAL HG1 . 7280 1 253 . 1 1 23 23 VAL HG13 H 1 0.90 0.01 . 2 . . . . 23 VAL HG1 . 7280 1 254 . 1 1 23 23 VAL HG21 H 1 0.86 0.01 . 2 . . . . 23 VAL HG2 . 7280 1 255 . 1 1 23 23 VAL HG22 H 1 0.86 0.01 . 2 . . . . 23 VAL HG2 . 7280 1 256 . 1 1 23 23 VAL HG23 H 1 0.86 0.01 . 2 . . . . 23 VAL HG2 . 7280 1 257 . 1 1 23 23 VAL CA C 13 63.22 0.1 . 1 . . . . 23 VAL CA . 7280 1 258 . 1 1 23 23 VAL CB C 13 32.14 0.1 . 1 . . . . 23 VAL CB . 7280 1 259 . 1 1 23 23 VAL CG1 C 13 21.22 0.1 . 2 . . . . 23 VAL CG1 . 7280 1 260 . 1 1 23 23 VAL CG2 C 13 19.87 0.1 . 2 . . . . 23 VAL CG2 . 7280 1 261 . 1 1 23 23 VAL N N 15 115.3 0.1 . 1 . . . . 23 VAL N . 7280 1 262 . 1 1 24 24 ASP H H 1 7.27 0.01 . 1 . . . . 24 ASP H . 7280 1 263 . 1 1 24 24 ASP HA H 1 4.58 0.01 . 1 . . . . 24 ASP HA . 7280 1 264 . 1 1 24 24 ASP HB2 H 1 2.97 0.01 . 1 . . . . 24 ASP HB2 . 7280 1 265 . 1 1 24 24 ASP HB3 H 1 2.97 0.01 . 1 . . . . 24 ASP HB3 . 7280 1 266 . 1 1 24 24 ASP CA C 13 52.66 0.1 . 1 . . . . 24 ASP CA . 7280 1 267 . 1 1 24 24 ASP CB C 13 41.82 0.1 . 1 . . . . 24 ASP CB . 7280 1 268 . 1 1 24 24 ASP N N 15 114.9 0.1 . 1 . . . . 24 ASP N . 7280 1 269 . 1 1 25 25 ALA H H 1 8.38 0.01 . 1 . . . . 25 ALA H . 7280 1 270 . 1 1 25 25 ALA HA H 1 3.37 0.01 . 1 . . . . 25 ALA HA . 7280 1 271 . 1 1 25 25 ALA HB1 H 1 1.16 0.01 . 1 . . . . 25 ALA HB . 7280 1 272 . 1 1 25 25 ALA HB2 H 1 1.16 0.01 . 1 . . . . 25 ALA HB . 7280 1 273 . 1 1 25 25 ALA HB3 H 1 1.16 0.01 . 1 . . . . 25 ALA HB . 7280 1 274 . 1 1 25 25 ALA CA C 13 54.66 0.1 . 1 . . . . 25 ALA CA . 7280 1 275 . 1 1 25 25 ALA CB C 13 17.60 0.1 . 1 . . . . 25 ALA CB . 7280 1 276 . 1 1 25 25 ALA N N 15 121.5 0.1 . 1 . . . . 25 ALA N . 7280 1 277 . 1 1 26 26 ALA H H 1 8.00 0.01 . 1 . . . . 26 ALA H . 7280 1 278 . 1 1 26 26 ALA HA H 1 3.88 0.01 . 1 . . . . 26 ALA HA . 7280 1 279 . 1 1 26 26 ALA HB1 H 1 1.21 0.01 . 1 . . . . 26 ALA HB . 7280 1 280 . 1 1 26 26 ALA HB2 H 1 1.21 0.01 . 1 . . . . 26 ALA HB . 7280 1 281 . 1 1 26 26 ALA HB3 H 1 1.21 0.01 . 1 . . . . 26 ALA HB . 7280 1 282 . 1 1 26 26 ALA CA C 13 54.66 0.1 . 1 . . . . 26 ALA CA . 7280 1 283 . 1 1 26 26 ALA CB C 13 17.88 0.1 . 1 . . . . 26 ALA CB . 7280 1 284 . 1 1 26 26 ALA N N 15 120.3 0.1 . 1 . . . . 26 ALA N . 7280 1 285 . 1 1 27 27 THR H H 1 8.26 0.01 . 1 . . . . 27 THR H . 7280 1 286 . 1 1 27 27 THR HA H 1 3.92 0.01 . 1 . . . . 27 THR HA . 7280 1 287 . 1 1 27 27 THR HB H 1 3.61 0.01 . 1 . . . . 27 THR HB . 7280 1 288 . 1 1 27 27 THR HG21 H 1 1.13 0.01 . 1 . . . . 27 THR HG2 . 7280 1 289 . 1 1 27 27 THR HG22 H 1 1.13 0.01 . 1 . . . . 27 THR HG2 . 7280 1 290 . 1 1 27 27 THR HG23 H 1 1.13 0.01 . 1 . . . . 27 THR HG2 . 7280 1 291 . 1 1 27 27 THR CA C 13 67.78 0.1 . 1 . . . . 27 THR CA . 7280 1 292 . 1 1 27 27 THR CB C 13 66.93 0.1 . 1 . . . . 27 THR CB . 7280 1 293 . 1 1 27 27 THR CG2 C 13 20.95 0.1 . 1 . . . . 27 THR CG2 . 7280 1 294 . 1 1 27 27 THR N N 15 116.4 0.1 . 1 . . . . 27 THR N . 7280 1 295 . 1 1 28 28 ALA H H 1 6.98 0.01 . 1 . . . . 28 ALA H . 7280 1 296 . 1 1 28 28 ALA HA H 1 3.01 0.01 . 1 . . . . 28 ALA HA . 7280 1 297 . 1 1 28 28 ALA HB1 H 1 0.43 0.01 . 1 . . . . 28 ALA HB . 7280 1 298 . 1 1 28 28 ALA HB2 H 1 0.43 0.01 . 1 . . . . 28 ALA HB . 7280 1 299 . 1 1 28 28 ALA HB3 H 1 0.43 0.01 . 1 . . . . 28 ALA HB . 7280 1 300 . 1 1 28 28 ALA CA C 13 54.95 0.1 . 1 . . . . 28 ALA CA . 7280 1 301 . 1 1 28 28 ALA CB C 13 17.31 0.1 . 1 . . . . 28 ALA CB . 7280 1 302 . 1 1 28 28 ALA N N 15 123.6 0.1 . 1 . . . . 28 ALA N . 7280 1 303 . 1 1 29 29 GLU H H 1 8.34 0.01 . 1 . . . . 29 GLU H . 7280 1 304 . 1 1 29 29 GLU HA H 1 2.59 0.01 . 1 . . . . 29 GLU HA . 7280 1 305 . 1 1 29 29 GLU HB2 H 1 1.75 0.01 . 2 . . . . 29 GLU HB2 . 7280 1 306 . 1 1 29 29 GLU HB3 H 1 1.86 0.01 . 2 . . . . 29 GLU HB3 . 7280 1 307 . 1 1 29 29 GLU HG2 H 1 1.49 0.01 . 1 . . . . 29 GLU HG2 . 7280 1 308 . 1 1 29 29 GLU HG3 H 1 1.49 0.01 . 1 . . . . 29 GLU HG3 . 7280 1 309 . 1 1 29 29 GLU CA C 13 59.80 0.1 . 1 . . . . 29 GLU CA . 7280 1 310 . 1 1 29 29 GLU CB C 13 29.00 0.1 . 1 . . . . 29 GLU CB . 7280 1 311 . 1 1 29 29 GLU CG C 13 35.33 0.1 . 1 . . . . 29 GLU CG . 7280 1 312 . 1 1 29 29 GLU N N 15 116.6 0.1 . 1 . . . . 29 GLU N . 7280 1 313 . 1 1 30 30 LYS H H 1 6.95 0.01 . 1 . . . . 30 LYS H . 7280 1 314 . 1 1 30 30 LYS HA H 1 3.65 0.01 . 1 . . . . 30 LYS HA . 7280 1 315 . 1 1 30 30 LYS HB2 H 1 1.74 0.01 . 1 . . . . 30 LYS HB2 . 7280 1 316 . 1 1 30 30 LYS HB3 H 1 1.74 0.01 . 1 . . . . 30 LYS HB3 . 7280 1 317 . 1 1 30 30 LYS HG2 H 1 1.24 0.01 . 1 . . . . 30 LYS HG2 . 7280 1 318 . 1 1 30 30 LYS HG3 H 1 1.24 0.01 . 1 . . . . 30 LYS HG3 . 7280 1 319 . 1 1 30 30 LYS HD2 H 1 1.52 0.01 . 1 . . . . 30 LYS HD2 . 7280 1 320 . 1 1 30 30 LYS HD3 H 1 1.52 0.01 . 1 . . . . 30 LYS HD3 . 7280 1 321 . 1 1 30 30 LYS HE2 H 1 2.81 0.01 . 1 . . . . 30 LYS HE2 . 7280 1 322 . 1 1 30 30 LYS HE3 H 1 2.81 0.01 . 1 . . . . 30 LYS HE3 . 7280 1 323 . 1 1 30 30 LYS CA C 13 59.80 0.1 . 1 . . . . 30 LYS CA . 7280 1 324 . 1 1 30 30 LYS CB C 13 32.42 0.1 . 1 . . . . 30 LYS CB . 7280 1 325 . 1 1 30 30 LYS CG C 13 25.26 0.1 . 1 . . . . 30 LYS CG . 7280 1 326 . 1 1 30 30 LYS CD C 13 29.30 0.1 . 1 . . . . 30 LYS CD . 7280 1 327 . 1 1 30 30 LYS CE C 13 41.96 0.1 . 1 . . . . 30 LYS CE . 7280 1 328 . 1 1 30 30 LYS N N 15 116.7 0.1 . 1 . . . . 30 LYS N . 7280 1 329 . 1 1 31 31 VAL H H 1 7.23 0.01 . 1 . . . . 31 VAL H . 7280 1 330 . 1 1 31 31 VAL HA H 1 3.55 0.01 . 1 . . . . 31 VAL HA . 7280 1 331 . 1 1 31 31 VAL HB H 1 1.68 0.01 . 1 . . . . 31 VAL HB . 7280 1 332 . 1 1 31 31 VAL HG11 H 1 0.83 0.01 . 2 . . . . 31 VAL HG1 . 7280 1 333 . 1 1 31 31 VAL HG12 H 1 0.83 0.01 . 2 . . . . 31 VAL HG1 . 7280 1 334 . 1 1 31 31 VAL HG13 H 1 0.83 0.01 . 2 . . . . 31 VAL HG1 . 7280 1 335 . 1 1 31 31 VAL HG21 H 1 0.73 0.01 . 2 . . . . 31 VAL HG2 . 7280 1 336 . 1 1 31 31 VAL HG22 H 1 0.73 0.01 . 2 . . . . 31 VAL HG2 . 7280 1 337 . 1 1 31 31 VAL HG23 H 1 0.73 0.01 . 2 . . . . 31 VAL HG2 . 7280 1 338 . 1 1 31 31 VAL CA C 13 65.79 0.1 . 1 . . . . 31 VAL CA . 7280 1 339 . 1 1 31 31 VAL CB C 13 31.57 0.1 . 1 . . . . 31 VAL CB . 7280 1 340 . 1 1 31 31 VAL CG1 C 13 21.76 0.1 . 1 . . . . 31 VAL CG1 . 7280 1 341 . 1 1 31 31 VAL CG2 C 13 20.41 0.1 . 1 . . . . 31 VAL CG2 . 7280 1 342 . 1 1 31 31 VAL N N 15 120.6 0.1 . 1 . . . . 31 VAL N . 7280 1 343 . 1 1 32 32 PHE H H 1 8.41 0.01 . 1 . . . . 32 PHE H . 7280 1 344 . 1 1 32 32 PHE HA H 1 4.71 0.01 . 1 . . . . 32 PHE HA . 7280 1 345 . 1 1 32 32 PHE HB2 H 1 3.28 0.01 . 2 . . . . 32 PHE HB2 . 7280 1 346 . 1 1 32 32 PHE HB3 H 1 2.81 0.01 . 2 . . . . 32 PHE HB3 . 7280 1 347 . 1 1 32 32 PHE CA C 13 56.38 0.1 . 1 . . . . 32 PHE CA . 7280 1 348 . 1 1 32 32 PHE CB C 13 37.27 0.1 . 1 . . . . 32 PHE CB . 7280 1 349 . 1 1 32 32 PHE N N 15 120.7 0.1 . 1 . . . . 32 PHE N . 7280 1 350 . 1 1 33 33 LYS H H 1 9.10 0.01 . 1 . . . . 33 LYS H . 7280 1 351 . 1 1 33 33 LYS HA H 1 4.09 0.01 . 1 . . . . 33 LYS HA . 7280 1 352 . 1 1 33 33 LYS HB2 H 1 1.58 0.01 . 2 . . . . 33 LYS HB2 . 7280 1 353 . 1 1 33 33 LYS HB3 H 1 1.48 0.01 . 2 . . . . 33 LYS HB3 . 7280 1 354 . 1 1 33 33 LYS HG2 H 1 0.74 0.01 . 2 . . . . 33 LYS HG2 . 7280 1 355 . 1 1 33 33 LYS HG3 H 1 0.42 0.01 . 2 . . . . 33 LYS HG3 . 7280 1 356 . 1 1 33 33 LYS HD2 H 1 1.03 0.01 . 2 . . . . 33 LYS HD2 . 7280 1 357 . 1 1 33 33 LYS HD3 H 1 0.96 0.01 . 2 . . . . 33 LYS HD3 . 7280 1 358 . 1 1 33 33 LYS HE2 H 1 1.85 0.01 . 2 . . . . 33 LYS HE2 . 7280 1 359 . 1 1 33 33 LYS HE3 H 1 1.56 0.01 . 2 . . . . 33 LYS HE3 . 7280 1 360 . 1 1 33 33 LYS CA C 13 59.74 0.1 . 1 . . . . 33 LYS CA . 7280 1 361 . 1 1 33 33 LYS CB C 13 31.70 0.1 . 1 . . . . 33 LYS CB . 7280 1 362 . 1 1 33 33 LYS CG C 13 25.53 0.1 . 1 . . . . 33 LYS CG . 7280 1 363 . 1 1 33 33 LYS CD C 13 28.76 0.1 . 1 . . . . 33 LYS CD . 7280 1 364 . 1 1 33 33 LYS CE C 13 41.33 0.1 . 1 . . . . 33 LYS CE . 7280 1 365 . 1 1 33 33 LYS N N 15 123.0 0.1 . 1 . . . . 33 LYS N . 7280 1 366 . 1 1 34 34 GLN H H 1 7.36 0.01 . 1 . . . . 34 GLN H . 7280 1 367 . 1 1 34 34 GLN HA H 1 3.97 0.01 . 1 . . . . 34 GLN HA . 7280 1 368 . 1 1 34 34 GLN HB2 H 1 2.13 0.01 . 1 . . . . 34 GLN HB2 . 7280 1 369 . 1 1 34 34 GLN HB3 H 1 2.13 0.01 . 1 . . . . 34 GLN HB3 . 7280 1 370 . 1 1 34 34 GLN HG2 H 1 2.35 0.01 . 1 . . . . 34 GLN HG2 . 7280 1 371 . 1 1 34 34 GLN HG3 H 1 2.35 0.01 . 1 . . . . 34 GLN HG3 . 7280 1 372 . 1 1 34 34 GLN HE21 H 1 7.89 0.01 . 2 . . . . 34 GLN HE21 . 7280 1 373 . 1 1 34 34 GLN HE22 H 1 6.84 0.01 . 2 . . . . 34 GLN HE22 . 7280 1 374 . 1 1 34 34 GLN CA C 13 58.66 0.1 . 1 . . . . 34 GLN CA . 7280 1 375 . 1 1 34 34 GLN CB C 13 28.15 0.1 . 1 . . . . 34 GLN CB . 7280 1 376 . 1 1 34 34 GLN CG C 13 33.34 0.1 . 1 . . . . 34 GLN CG . 7280 1 377 . 1 1 34 34 GLN N N 15 119.6 0.1 . 1 . . . . 34 GLN N . 7280 1 378 . 1 1 34 34 GLN NE2 N 15 115.3 0.1 . 1 . . . . 34 GLN NE2 . 7280 1 379 . 1 1 35 35 TYR H H 1 8.20 0.01 . 1 . . . . 35 TYR H . 7280 1 380 . 1 1 35 35 TYR HA H 1 4.18 0.01 . 1 . . . . 35 TYR HA . 7280 1 381 . 1 1 35 35 TYR HB2 H 1 3.22 0.01 . 1 . . . . 35 TYR HB2 . 7280 1 382 . 1 1 35 35 TYR HB3 H 1 3.22 0.01 . 1 . . . . 35 TYR HB3 . 7280 1 383 . 1 1 35 35 TYR CA C 13 61.79 0.1 . 1 . . . . 35 TYR CA . 7280 1 384 . 1 1 35 35 TYR CB C 13 38.70 0.1 . 1 . . . . 35 TYR CB . 7280 1 385 . 1 1 35 35 TYR N N 15 121.0 0.1 . 1 . . . . 35 TYR N . 7280 1 386 . 1 1 36 36 ALA H H 1 9.17 0.01 . 1 . . . . 36 ALA H . 7280 1 387 . 1 1 36 36 ALA HA H 1 3.73 0.01 . 1 . . . . 36 ALA HA . 7280 1 388 . 1 1 36 36 ALA HB1 H 1 1.76 0.01 . 1 . . . . 36 ALA HB . 7280 1 389 . 1 1 36 36 ALA HB2 H 1 1.76 0.01 . 1 . . . . 36 ALA HB . 7280 1 390 . 1 1 36 36 ALA HB3 H 1 1.76 0.01 . 1 . . . . 36 ALA HB . 7280 1 391 . 1 1 36 36 ALA CA C 13 61.79 0.1 . 1 . . . . 36 ALA CA . 7280 1 392 . 1 1 36 36 ALA CB C 13 38.70 0.1 . 1 . . . . 36 ALA CB . 7280 1 393 . 1 1 36 36 ALA N N 15 121.0 0.1 . 1 . . . . 36 ALA N . 7280 1 394 . 1 1 37 37 ASN H H 1 8.20 0.01 . 1 . . . . 37 ASN H . 7280 1 395 . 1 1 37 37 ASN HA H 1 4.37 0.01 . 1 . . . . 37 ASN HA . 7280 1 396 . 1 1 37 37 ASN HB2 H 1 2.85 0.01 . 1 . . . . 37 ASN HB2 . 7280 1 397 . 1 1 37 37 ASN HB3 H 1 2.85 0.01 . 1 . . . . 37 ASN HB3 . 7280 1 398 . 1 1 37 37 ASN HD21 H 1 7.57 0.01 . 2 . . . . 37 ASN HD21 . 7280 1 399 . 1 1 37 37 ASN HD22 H 1 6.92 0.01 . 2 . . . . 37 ASN HD22 . 7280 1 400 . 1 1 37 37 ASN CA C 13 56.95 0.1 . 1 . . . . 37 ASN CA . 7280 1 401 . 1 1 37 37 ASN CB C 13 38.70 0.1 . 1 . . . . 37 ASN CB . 7280 1 402 . 1 1 37 37 ASN N N 15 117.6 0.1 . 1 . . . . 37 ASN N . 7280 1 403 . 1 1 37 37 ASN ND2 N 15 112.3 0.1 . 1 . . . . 37 ASN ND2 . 7280 1 404 . 1 1 38 38 ASP H H 1 8.89 0.01 . 1 . . . . 38 ASP H . 7280 1 405 . 1 1 38 38 ASP HA H 1 4.28 0.01 . 1 . . . . 38 ASP HA . 7280 1 406 . 1 1 38 38 ASP HB2 H 1 2.63 0.01 . 2 . . . . 38 ASP HB2 . 7280 1 407 . 1 1 38 38 ASP HB3 H 1 2.49 0.01 . 2 . . . . 38 ASP HB3 . 7280 1 408 . 1 1 38 38 ASP CA C 13 56.95 0.1 . 1 . . . . 38 ASP CA . 7280 1 409 . 1 1 38 38 ASP CB C 13 39.84 0.1 . 1 . . . . 38 ASP CB . 7280 1 410 . 1 1 38 38 ASP N N 15 121.4 0.1 . 1 . . . . 38 ASP N . 7280 1 411 . 1 1 39 39 ASN H H 1 7.35 0.01 . 1 . . . . 39 ASN H . 7280 1 412 . 1 1 39 39 ASN HA H 1 4.51 0.01 . 1 . . . . 39 ASN HA . 7280 1 413 . 1 1 39 39 ASN HB2 H 1 2.61 0.01 . 1 . . . . 39 ASN HB2 . 7280 1 414 . 1 1 39 39 ASN HB3 H 1 2.61 0.01 . 1 . . . . 39 ASN HB3 . 7280 1 415 . 1 1 39 39 ASN HD21 H 1 6.60 0.01 . 2 . . . . 39 ASN HD21 . 7280 1 416 . 1 1 39 39 ASN HD22 H 1 6.21 0.01 . 2 . . . . 39 ASN HD22 . 7280 1 417 . 1 1 39 39 ASN CA C 13 53.81 0.1 . 1 . . . . 39 ASN CA . 7280 1 418 . 1 1 39 39 ASN CB C 13 39.84 0.1 . 1 . . . . 39 ASN CB . 7280 1 419 . 1 1 39 39 ASN N N 15 115.5 0.1 . 1 . . . . 39 ASN N . 7280 1 420 . 1 1 39 39 ASN ND2 N 15 114.8 0.1 . 1 . . . . 39 ASN ND2 . 7280 1 421 . 1 1 40 40 GLY H H 1 7.75 0.01 . 1 . . . . 40 GLY H . 7280 1 422 . 1 1 40 40 GLY HA2 H 1 3.85 0.01 . 1 . . . . 40 GLY HA2 . 7280 1 423 . 1 1 40 40 GLY HA3 H 1 3.85 0.01 . 1 . . . . 40 GLY HA3 . 7280 1 424 . 1 1 40 40 GLY CA C 13 46.97 0.1 . 1 . . . . 40 GLY CA . 7280 1 425 . 1 1 40 40 GLY N N 15 108.1 0.1 . 1 . . . . 40 GLY N . 7280 1 426 . 1 1 41 41 VAL H H 1 8.06 0.01 . 1 . . . . 41 VAL H . 7280 1 427 . 1 1 41 41 VAL HA H 1 4.09 0.01 . 1 . . . . 41 VAL HA . 7280 1 428 . 1 1 41 41 VAL HB H 1 1.65 0.01 . 1 . . . . 41 VAL HB . 7280 1 429 . 1 1 41 41 VAL HG11 H 1 0.76 0.01 . 2 . . . . 41 VAL HG1 . 7280 1 430 . 1 1 41 41 VAL HG12 H 1 0.76 0.01 . 2 . . . . 41 VAL HG1 . 7280 1 431 . 1 1 41 41 VAL HG13 H 1 0.76 0.01 . 2 . . . . 41 VAL HG1 . 7280 1 432 . 1 1 41 41 VAL HG21 H 1 0.57 0.01 . 2 . . . . 41 VAL HG2 . 7280 1 433 . 1 1 41 41 VAL HG22 H 1 0.57 0.01 . 2 . . . . 41 VAL HG2 . 7280 1 434 . 1 1 41 41 VAL HG23 H 1 0.57 0.01 . 2 . . . . 41 VAL HG2 . 7280 1 435 . 1 1 41 41 VAL CA C 13 61.79 0.1 . 1 . . . . 41 VAL CA . 7280 1 436 . 1 1 41 41 VAL CB C 13 33.28 0.1 . 1 . . . . 41 VAL CB . 7280 1 437 . 1 1 41 41 VAL CG1 C 13 21.49 0.1 . 1 . . . . 41 VAL CG1 . 7280 1 438 . 1 1 41 41 VAL CG2 C 13 21.49 0.1 . 1 . . . . 41 VAL CG2 . 7280 1 439 . 1 1 41 41 VAL N N 15 120.9 0.1 . 1 . . . . 41 VAL N . 7280 1 440 . 1 1 42 42 ASP H H 1 8.55 0.01 . 1 . . . . 42 ASP H . 7280 1 441 . 1 1 42 42 ASP HA H 1 4.82 0.01 . 1 . . . . 42 ASP HA . 7280 1 442 . 1 1 42 42 ASP HB2 H 1 2.68 0.01 . 2 . . . . 42 ASP HB2 . 7280 1 443 . 1 1 42 42 ASP HB3 H 1 2.52 0.01 . 2 . . . . 42 ASP HB3 . 7280 1 444 . 1 1 42 42 ASP CA C 13 52.67 0.1 . 1 . . . . 42 ASP CA . 7280 1 445 . 1 1 42 42 ASP CB C 13 42.60 0.1 . 1 . . . . 42 ASP CB . 7280 1 446 . 1 1 42 42 ASP N N 15 127.8 0.1 . 1 . . . . 42 ASP N . 7280 1 447 . 1 1 43 43 GLY H H 1 7.73 0.01 . 1 . . . . 43 GLY H . 7280 1 448 . 1 1 43 43 GLY HA2 H 1 4.22 0.01 . 2 . . . . 43 GLY HA2 . 7280 1 449 . 1 1 43 43 GLY HA3 H 1 3.54 0.01 . 2 . . . . 43 GLY HA3 . 7280 1 450 . 1 1 43 43 GLY CA C 13 45.54 0.1 . 1 . . . . 43 GLY CA . 7280 1 451 . 1 1 43 43 GLY N N 15 107.1 0.1 . 1 . . . . 43 GLY N . 7280 1 452 . 1 1 44 44 GLU H H 1 8.14 0.01 . 1 . . . . 44 GLU H . 7280 1 453 . 1 1 44 44 GLU HA H 1 4.63 0.01 . 1 . . . . 44 GLU HA . 7280 1 454 . 1 1 44 44 GLU HB2 H 1 1.98 0.01 . 1 . . . . 44 GLU HB2 . 7280 1 455 . 1 1 44 44 GLU HB3 H 1 1.98 0.01 . 1 . . . . 44 GLU HB3 . 7280 1 456 . 1 1 44 44 GLU HG2 H 1 2.30 0.01 . 2 . . . . 44 GLU HG2 . 7280 1 457 . 1 1 44 44 GLU HG3 H 1 2.20 0.01 . 2 . . . . 44 GLU HG3 . 7280 1 458 . 1 1 44 44 GLU CA C 13 55.52 0.1 . 1 . . . . 44 GLU CA . 7280 1 459 . 1 1 44 44 GLU CB C 13 31.28 0.1 . 1 . . . . 44 GLU CB . 7280 1 460 . 1 1 44 44 GLU N N 15 120.7 0.1 . 1 . . . . 44 GLU N . 7280 1 461 . 1 1 45 45 TRP H H 1 9.30 0.01 . 1 . . . . 45 TRP H . 7280 1 462 . 1 1 45 45 TRP HA H 1 5.27 0.01 . 1 . . . . 45 TRP HA . 7280 1 463 . 1 1 45 45 TRP HB2 H 1 3.27 0.01 . 2 . . . . 45 TRP HB2 . 7280 1 464 . 1 1 45 45 TRP HB3 H 1 3.08 0.01 . 2 . . . . 45 TRP HB3 . 7280 1 465 . 1 1 45 45 TRP HE1 H 1 10.47 0.01 . 1 . . . . 45 TRP HE1 . 7280 1 466 . 1 1 45 45 TRP CA C 13 57.80 0.1 . 1 . . . . 45 TRP CA . 7280 1 467 . 1 1 45 45 TRP CB C 13 30.43 0.1 . 1 . . . . 45 TRP CB . 7280 1 468 . 1 1 45 45 TRP N N 15 128.4 0.1 . 1 . . . . 45 TRP N . 7280 1 469 . 1 1 45 45 TRP NE1 N 15 130.7 0.1 . 1 . . . . 45 TRP NE1 . 7280 1 470 . 1 1 46 46 THR H H 1 9.25 0.01 . 1 . . . . 46 THR H . 7280 1 471 . 1 1 46 46 THR HA H 1 4.80 0.01 . 1 . . . . 46 THR HA . 7280 1 472 . 1 1 46 46 THR HB H 1 4.17 0.01 . 1 . . . . 46 THR HB . 7280 1 473 . 1 1 46 46 THR HG21 H 1 1.12 0.01 . 1 . . . . 46 THR HG2 . 7280 1 474 . 1 1 46 46 THR HG22 H 1 1.12 0.01 . 1 . . . . 46 THR HG2 . 7280 1 475 . 1 1 46 46 THR HG23 H 1 1.12 0.01 . 1 . . . . 46 THR HG2 . 7280 1 476 . 1 1 46 46 THR CA C 13 60.37 0.1 . 1 . . . . 46 THR CA . 7280 1 477 . 1 1 46 46 THR CB C 13 72.06 0.1 . 1 . . . . 46 THR CB . 7280 1 478 . 1 1 46 46 THR CG2 C 13 22.02 0.1 . 1 . . . . 46 THR CG2 . 7280 1 479 . 1 1 46 46 THR N N 15 114.9 0.1 . 1 . . . . 46 THR N . 7280 1 480 . 1 1 47 47 TYR H H 1 8.54 0.01 . 1 . . . . 47 TYR H . 7280 1 481 . 1 1 47 47 TYR HA H 1 4.93 0.01 . 1 . . . . 47 TYR HA . 7280 1 482 . 1 1 47 47 TYR HB2 H 1 2.80 0.01 . 2 . . . . 47 TYR HB2 . 7280 1 483 . 1 1 47 47 TYR HB3 H 1 2.45 0.01 . 2 . . . . 47 TYR HB3 . 7280 1 484 . 1 1 47 47 TYR CA C 13 56.66 0.1 . 1 . . . . 47 TYR CA . 7280 1 485 . 1 1 47 47 TYR CB C 13 41.55 0.1 . 1 . . . . 47 TYR CB . 7280 1 486 . 1 1 47 47 TYR N N 15 120.7 0.1 . 1 . . . . 47 TYR N . 7280 1 487 . 1 1 48 48 ASP H H 1 7.68 0.01 . 1 . . . . 48 ASP H . 7280 1 488 . 1 1 48 48 ASP HA H 1 4.53 0.01 . 1 . . . . 48 ASP HA . 7280 1 489 . 1 1 48 48 ASP HB2 H 1 2.50 0.01 . 2 . . . . 48 ASP HB2 . 7280 1 490 . 1 1 48 48 ASP HB3 H 1 2.20 0.01 . 2 . . . . 48 ASP HB3 . 7280 1 491 . 1 1 48 48 ASP CA C 13 51.78 0.1 . 1 . . . . 48 ASP CA . 7280 1 492 . 1 1 48 48 ASP CB C 13 42.79 0.1 . 1 . . . . 48 ASP CB . 7280 1 493 . 1 1 48 48 ASP N N 15 128.7 0.1 . 1 . . . . 48 ASP N . 7280 1 494 . 1 1 49 49 ASP H H 1 8.44 0.01 . 1 . . . . 49 ASP H . 7280 1 495 . 1 1 49 49 ASP HA H 1 3.95 0.01 . 1 . . . . 49 ASP HA . 7280 1 496 . 1 1 49 49 ASP HB2 H 1 2.70 0.01 . 2 . . . . 49 ASP HB2 . 7280 1 497 . 1 1 49 49 ASP HB3 H 1 2.46 0.01 . 2 . . . . 49 ASP HB3 . 7280 1 498 . 1 1 49 49 ASP CA C 13 56.38 0.1 . 1 . . . . 49 ASP CA . 7280 1 499 . 1 1 49 49 ASP CB C 13 41.83 0.1 . 1 . . . . 49 ASP CB . 7280 1 500 . 1 1 49 49 ASP N N 15 124.7 0.1 . 1 . . . . 49 ASP N . 7280 1 501 . 1 1 50 50 ALA H H 1 8.21 0.01 . 1 . . . . 50 ALA H . 7280 1 502 . 1 1 50 50 ALA HA H 1 4.00 0.01 . 1 . . . . 50 ALA HA . 7280 1 503 . 1 1 50 50 ALA HB1 H 1 1.41 0.01 . 1 . . . . 50 ALA HB . 7280 1 504 . 1 1 50 50 ALA HB2 H 1 1.41 0.01 . 1 . . . . 50 ALA HB . 7280 1 505 . 1 1 50 50 ALA HB3 H 1 1.41 0.01 . 1 . . . . 50 ALA HB . 7280 1 506 . 1 1 50 50 ALA CA C 13 54.95 0.1 . 1 . . . . 50 ALA CA . 7280 1 507 . 1 1 50 50 ALA CB C 13 18.45 0.1 . 1 . . . . 50 ALA CB . 7280 1 508 . 1 1 50 50 ALA N N 15 120.0 0.1 . 1 . . . . 50 ALA N . 7280 1 509 . 1 1 51 51 THR H H 1 6.92 0.01 . 1 . . . . 51 THR H . 7280 1 510 . 1 1 51 51 THR HA H 1 4.30 0.01 . 1 . . . . 51 THR HA . 7280 1 511 . 1 1 51 51 THR HB H 1 4.32 0.01 . 1 . . . . 51 THR HB . 7280 1 512 . 1 1 51 51 THR HG21 H 1 0.98 0.01 . 1 . . . . 51 THR HG2 . 7280 1 513 . 1 1 51 51 THR HG22 H 1 0.98 0.01 . 1 . . . . 51 THR HG2 . 7280 1 514 . 1 1 51 51 THR HG23 H 1 0.98 0.01 . 1 . . . . 51 THR HG2 . 7280 1 515 . 1 1 51 51 THR CA C 13 60.24 0.1 . 1 . . . . 51 THR CA . 7280 1 516 . 1 1 51 51 THR CB C 13 70.07 0.1 . 1 . . . . 51 THR CB . 7280 1 517 . 1 1 51 51 THR CG2 C 13 21.22 0.1 . 1 . . . . 51 THR CG2 . 7280 1 518 . 1 1 51 51 THR N N 15 103.1 0.1 . 1 . . . . 51 THR N . 7280 1 519 . 1 1 52 52 LYS H H 1 7.77 0.01 . 1 . . . . 52 LYS H . 7280 1 520 . 1 1 52 52 LYS HA H 1 4.00 0.01 . 1 . . . . 52 LYS HA . 7280 1 521 . 1 1 52 52 LYS HB2 H 1 1.76 0.01 . 1 . . . . 52 LYS HB2 . 7280 1 522 . 1 1 52 52 LYS HB3 H 1 1.76 0.01 . 1 . . . . 52 LYS HB3 . 7280 1 523 . 1 1 52 52 LYS HG2 H 1 1.20 0.01 . 2 . . . . 52 LYS HG2 . 7280 1 524 . 1 1 52 52 LYS HG3 H 1 1.14 0.01 . 2 . . . . 52 LYS HG3 . 7280 1 525 . 1 1 52 52 LYS HD2 H 1 1.16 0.01 . 2 . . . . 52 LYS HD2 . 7280 1 526 . 1 1 52 52 LYS HD3 H 1 1.01 0.01 . 2 . . . . 52 LYS HD3 . 7280 1 527 . 1 1 52 52 LYS HE2 H 1 2.80 0.01 . 1 . . . . 52 LYS HE2 . 7280 1 528 . 1 1 52 52 LYS HE3 H 1 2.80 0.01 . 1 . . . . 52 LYS HE3 . 7280 1 529 . 1 1 52 52 LYS CA C 13 57.52 0.1 . 1 . . . . 52 LYS CA . 7280 1 530 . 1 1 52 52 LYS CB C 13 30.14 0.1 . 1 . . . . 52 LYS CB . 7280 1 531 . 1 1 52 52 LYS CG C 13 25.26 0.1 . 1 . . . . 52 LYS CG . 7280 1 532 . 1 1 52 52 LYS CD C 13 28.76 0.1 . 1 . . . . 52 LYS CD . 7280 1 533 . 1 1 52 52 LYS CE C 13 42.78 0.1 . 1 . . . . 52 LYS CE . 7280 1 534 . 1 1 52 52 LYS N N 15 123.6 0.1 . 1 . . . . 52 LYS N . 7280 1 535 . 1 1 53 53 THR H H 1 7.27 0.01 . 1 . . . . 53 THR H . 7280 1 536 . 1 1 53 53 THR HA H 1 5.43 0.01 . 1 . . . . 53 THR HA . 7280 1 537 . 1 1 53 53 THR HB H 1 3.66 0.01 . 1 . . . . 53 THR HB . 7280 1 538 . 1 1 53 53 THR HG21 H 1 0.90 0.01 . 1 . . . . 53 THR HG2 . 7280 1 539 . 1 1 53 53 THR HG22 H 1 0.90 0.01 . 1 . . . . 53 THR HG2 . 7280 1 540 . 1 1 53 53 THR HG23 H 1 0.90 0.01 . 1 . . . . 53 THR HG2 . 7280 1 541 . 1 1 53 53 THR CA C 13 62.02 0.1 . 1 . . . . 53 THR CA . 7280 1 542 . 1 1 53 53 THR CB C 13 71.77 0.1 . 1 . . . . 53 THR CB . 7280 1 543 . 1 1 53 53 THR CG2 C 13 20.68 0.1 . 1 . . . . 53 THR CG2 . 7280 1 544 . 1 1 53 53 THR N N 15 110.9 0.1 . 1 . . . . 53 THR N . 7280 1 545 . 1 1 54 54 PHE H H 1 10.37 0.1 . 1 . . . . 54 PHE H . 7280 1 546 . 1 1 54 54 PHE HA H 1 5.64 0.01 . 1 . . . . 54 PHE HA . 7280 1 547 . 1 1 54 54 PHE HB2 H 1 3.18 0.01 . 1 . . . . 54 PHE HB2 . 7280 1 548 . 1 1 54 54 PHE HB3 H 1 3.18 0.01 . 1 . . . . 54 PHE HB3 . 7280 1 549 . 1 1 54 54 PHE CA C 13 57.23 0.1 . 1 . . . . 54 PHE CA . 7280 1 550 . 1 1 54 54 PHE CB C 13 42.69 0.1 . 1 . . . . 54 PHE CB . 7280 1 551 . 1 1 54 54 PHE N N 15 130.9 0.1 . 1 . . . . 54 PHE N . 7280 1 552 . 1 1 55 55 THR H H 1 9.05 0.01 . 1 . . . . 55 THR H . 7280 1 553 . 1 1 55 55 THR HA H 1 5.12 0.01 . 1 . . . . 55 THR HA . 7280 1 554 . 1 1 55 55 THR HB H 1 3.74 0.01 . 1 . . . . 55 THR HB . 7280 1 555 . 1 1 55 55 THR HG21 H 1 0.88 0.01 . 1 . . . . 55 THR HG2 . 7280 1 556 . 1 1 55 55 THR HG22 H 1 0.88 0.01 . 1 . . . . 55 THR HG2 . 7280 1 557 . 1 1 55 55 THR HG23 H 1 0.88 0.01 . 1 . . . . 55 THR HG2 . 7280 1 558 . 1 1 55 55 THR CA C 13 61.53 0.1 . 1 . . . . 55 THR CA . 7280 1 559 . 1 1 55 55 THR CB C 13 70.94 0.1 . 1 . . . . 55 THR CB . 7280 1 560 . 1 1 55 55 THR CG2 C 13 20.68 0.1 . 1 . . . . 55 THR CG2 . 7280 1 561 . 1 1 55 55 THR N N 15 117.2 0.1 . 1 . . . . 55 THR N . 7280 1 562 . 1 1 56 56 VAL H H 1 8.15 0.01 . 1 . . . . 56 VAL H . 7280 1 563 . 1 1 56 56 VAL HA H 1 4.40 0.01 . 1 . . . . 56 VAL HA . 7280 1 564 . 1 1 56 56 VAL HB H 1 -0.28 0.01 . 1 . . . . 56 VAL HB . 7280 1 565 . 1 1 56 56 VAL HG11 H 1 -0.44 0.01 . 2 . . . . 56 VAL HG1 . 7280 1 566 . 1 1 56 56 VAL HG12 H 1 -0.44 0.01 . 2 . . . . 56 VAL HG1 . 7280 1 567 . 1 1 56 56 VAL HG13 H 1 -0.44 0.01 . 2 . . . . 56 VAL HG1 . 7280 1 568 . 1 1 56 56 VAL HG21 H 1 0.31 0.01 . 2 . . . . 56 VAL HG2 . 7280 1 569 . 1 1 56 56 VAL HG22 H 1 0.31 0.01 . 2 . . . . 56 VAL HG2 . 7280 1 570 . 1 1 56 56 VAL HG23 H 1 0.31 0.01 . 2 . . . . 56 VAL HG2 . 7280 1 571 . 1 1 56 56 VAL CA C 13 58.09 0.1 . 1 . . . . 56 VAL CA . 7280 1 572 . 1 1 56 56 VAL CB C 13 32.42 0.1 . 1 . . . . 56 VAL CB . 7280 1 573 . 1 1 56 56 VAL CG1 C 13 20.64 0.1 . 2 . . . . 56 VAL CG1 . 7280 1 574 . 1 1 56 56 VAL CG2 C 13 19.86 0.1 . 2 . . . . 56 VAL CG2 . 7280 1 575 . 1 1 56 56 VAL N N 15 123.6 0.1 . 1 . . . . 56 VAL N . 7280 1 576 . 1 1 57 57 THR H H 1 8.31 0.01 . 1 . . . . 57 THR H . 7280 1 577 . 1 1 57 57 THR HA H 1 4.59 0.01 . 1 . . . . 57 THR HA . 7280 1 578 . 1 1 57 57 THR HB H 1 3.78 0.01 . 1 . . . . 57 THR HB . 7280 1 579 . 1 1 57 57 THR HG21 H 1 1.16 0.01 . 1 . . . . 57 THR HG2 . 7280 1 580 . 1 1 57 57 THR HG22 H 1 1.16 0.01 . 1 . . . . 57 THR HG2 . 7280 1 581 . 1 1 57 57 THR HG23 H 1 1.16 0.01 . 1 . . . . 57 THR HG2 . 7280 1 582 . 1 1 57 57 THR CA C 13 61.25 0.1 . 1 . . . . 57 THR CA . 7280 1 583 . 1 1 57 57 THR CB C 13 70.88 0.1 . 1 . . . . 57 THR CB . 7280 1 584 . 1 1 57 57 THR CG2 C 13 21.26 0.1 . 1 . . . . 57 THR CG2 . 7280 1 585 . 1 1 57 57 THR N N 15 123.8 0.1 . 1 . . . . 57 THR N . 7280 1 586 . 1 1 58 58 GLU H H 1 7.77 0.01 . 1 . . . . 58 GLU H . 7280 1 587 . 1 1 58 58 GLU HA H 1 4.26 0.01 . 1 . . . . 58 GLU HA . 7280 1 588 . 1 1 58 58 GLU HB2 H 1 2.07 0.01 . 2 . . . . 58 GLU HB2 . 7280 1 589 . 1 1 58 58 GLU HB3 H 1 1.85 0.01 . 2 . . . . 58 GLU HB3 . 7280 1 590 . 1 1 58 58 GLU HG2 H 1 2.29 0.01 . 1 . . . . 58 GLU HG2 . 7280 1 591 . 1 1 58 58 GLU HG3 H 1 2.29 0.01 . 1 . . . . 58 GLU HG3 . 7280 1 592 . 1 1 58 58 GLU CA C 13 58.13 0.1 . 1 . . . . 58 GLU CA . 7280 1 593 . 1 1 58 58 GLU CB C 13 32.59 0.1 . 1 . . . . 58 GLU CB . 7280 1 594 . 1 1 58 58 GLU N N 15 133.9 0.1 . 1 . . . . 58 GLU N . 7280 1 stop_ save_