data_327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 327 _Entry.Title ; 1H NMR Resonance Assignments, Secondary Structure, and Global Fold of Apo Bovine Calbindin D9k ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nicholas Skelton . J. . 327 2 Sture Forsen . . . 327 3 Walter Chazin . J. . 327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 564 327 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 5 . . 2010-06-11 . revision BMRB 'Complete natural source information' 327 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 327 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 327 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 327 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Skelton, Nicholas J., Forsen, Sture, Chazin, Walter J., "1H NMR Resonance Assignments, Secondary Structure, and Global Fold of Apo Bovine Calbindin D9k," Biochemistry 29, 5752-5761 (1990). ; _Citation.Title ; 1H NMR Resonance Assignments, Secondary Structure, and Global Fold of Apo Bovine Calbindin D9k ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 5752 _Citation.Page_last 5761 _Citation.Year 1990 _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 Nicholas Skelton . J. . 327 1 2 Sture Forsen . . . 327 1 3 Walter Chazin . J. . 327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_calbindin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_calbindin _Assembly.Entry_ID 327 _Assembly.ID 1 _Assembly.Name calbindin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 calbindin 1 $calbindin . . . . . . . . . 327 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 1CDN . 'Ef-Hand Mol_id: 1; Molecule: Calbindin D9k; Chain: Null; Synonym: Intestinal Calcium-Binding Protein, Icbp, Icabp, Cabp9k, S100d; Engineered: Yes; Mutation: Ins(Met 1), P43g; Other_details: Bovine Minor A Form, Cadmium-Half-Saturated, Cadmium Ion Is Bo>' . . . . 327 1 yes PDB 1CLB . 'Ef-Hand Calbindin D9k (Bovine Minor A Form, Apo) (Intestinal Calcium Binding Protein, Icbp, Icabp, Cabp9k, S100d) Mutant With N-Terminal Met, Pro 43 Replaced By Gly (Ins(Met 0),P43g) (Nmr, 33 Structures)' . . . . 327 1 yes PDB 2BCA . 'Calbindin D9k (Calcium-Loaded Form) Mutant With Pro 43 Replaced By Gly (P43g) (Nmr, Minimized Average Structure)' . . . . 327 1 yes PDB 2BCB . 'Calbindin D9k (Calcium-Loaded Form) Mutant With Pro 43 Replaced By Gly (P43g) (Nmr, 32 Structures)' . . . . 327 1 yes PDB 3ICB . 'Calcium-Binding Protein (Vitamin D-Dependent, Minor A Form) (ICABP)' . . . . 327 1 yes PDB 4ICB . 'Calbindin D9k (Minor A Form)' . . . . 327 1 yes PDB 5ICB . 'Bovine Calbindin D9k Binding Mg2+' . . . . 327 1 yes PDB 6ICB . 'Bovine Calbindin D9k Binding Mn2+' . . . . 327 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID calbindin system 327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calbindin _Entity.Sf_category entity _Entity.Sf_framecode calbindin _Entity.Entry_ID 327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calbindin _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 ; MKSPEELKGIFEKYAAKEGD PNQLSKEELKLLLQTEFPSL LKGGSTLDELFEELDKNGDG EVSFEEFQVLVKKISQ ; _Entity.Polymer_seq_one_letter_code ; MKSPEELKGIFEKYAAKEGD PNQLSKEELKLLLQTEFPSL LKGGSTLDELFEELDKNGDG EVSFEEFQVLVKKISQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-25 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 BMRB 15594 . calbindin_in_presence_of_Yb3+ . . . . . 98.68 75 98.67 98.67 1.17e-40 . . . . 327 1 2 no BMRB 16340 . Calbindin_D9K . . . . . 100.00 76 100.00 100.00 9.49e-43 . . . . 327 1 3 no BMRB 16758 . calbindin . . . . . 98.68 75 97.33 97.33 1.77e-39 . . . . 327 1 4 no BMRB 247 . calbindin . . . . . 100.00 76 98.68 98.68 1.61e-41 . . . . 327 1 5 no BMRB 325 . calbindin . . . . . 100.00 76 98.68 98.68 1.61e-41 . . . . 327 1 6 no BMRB 326 . calbindin . . . . . 100.00 76 100.00 100.00 9.49e-43 . . . . 327 1 7 no BMRB 4581 . "CALBINDIN D9K" . . . . . 98.68 75 97.33 97.33 1.22e-39 . . . . 327 1 8 no PDB 1B1G . "Solvated Refinement Of Ca-Loaded Calbindin D9k" . . . . . 98.68 75 100.00 100.00 1.06e-41 . . . . 327 1 9 no PDB 1CDN . "Solution Structure Of (Cd2+)1-Calbindin D9k Reveals Details Of The Stepwise Structural Changes Along The Apo--> (Ca2+) Ii1--> (" . . . . . 100.00 76 100.00 100.00 9.49e-43 . . . . 327 1 10 no PDB 1CLB . "Determination Of The Solution Structure Of Apo Calbindin D9k By Nmr Spectroscopy" . . . . . 100.00 76 100.00 100.00 9.49e-43 . . . . 327 1 11 no PDB 1D1O . "Cooperativity In Ef-Hand Ca2+-Binding Proteins: Evidence Of Site-Site Communication From Binding-Induced Changes In Structure A" . . . . . 98.68 75 97.33 97.33 1.22e-39 . . . . 327 1 12 no PDB 1HT9 . "Domain Swapping Ef-Hands" . . . . . 100.00 76 97.37 97.37 6.97e-41 . . . . 327 1 13 no PDB 1IG5 . "Bovine Calbindin D9k Binding Mg2+" . . . . . 98.68 75 98.67 98.67 1.64e-40 . . . . 327 1 14 no PDB 1IGV . "Bovine Calbindin D9k Binding Mn2+" . . . . . 98.68 75 98.67 98.67 1.64e-40 . . . . 327 1 15 no PDB 1KCY . "Nmr Solution Structure Of Apo Calbindin D9k (F36g + P43m Mutant)" . . . . . 98.68 75 97.33 97.33 3.58e-39 . . . . 327 1 16 no PDB 1KQV . "Family Of Nmr Solution Structures Of Ca Ln Calbindin D9k" . . . . . 98.68 79 98.67 98.67 7.08e-41 . . . . 327 1 17 no PDB 1KSM . "Average Nmr Solution Structure Of Ca Ln Calbindin D9k" . . . . . 98.68 79 98.67 98.67 7.08e-41 . . . . 327 1 18 no PDB 1N65 . "Family Of Nmr Solution Structures Of Ca Ce Calbindin D9k In Denaturating Conditions" . . . . . 98.68 75 98.67 98.67 1.17e-40 . . . . 327 1 19 no PDB 2BCA . "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" . . . . . 100.00 76 100.00 100.00 9.49e-43 . . . . 327 1 20 no PDB 2BCB . "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" . . . . . 98.68 75 100.00 100.00 1.06e-41 . . . . 327 1 21 no PDB 2MAZ . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Bovine Apo Calbindin" . . . . . 98.68 75 98.67 98.67 1.17e-40 . . . . 327 1 22 no PDB 3ICB . "The Refined Structure Of Vitamin D-Dependent Calcium- Binding Protein From Bovine Intestine. Molecular Details, Ion Binding, An" . . . . . 98.68 75 98.67 98.67 1.64e-40 . . . . 327 1 23 no PDB 4ICB . "Proline Cis-trans Isomers In Calbindin D9k Observed By X-ray Crystallography" . . . . . 100.00 76 98.68 98.68 1.61e-41 . . . . 327 1 24 no GB AAA30420 . "calcium-binding protein [Bos taurus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 25 no GB AAA72542 . "intestinal calcium binding protein (ICaBP), minor A form [synthetic construct]" . . . . . 100.00 76 98.68 98.68 1.61e-41 . . . . 327 1 26 no GB AAI18481 . "S100 calcium binding protein G [Bos taurus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 27 no GB ADO85633 . "calbindin D9K [Ovis aries]" . . . . . 52.63 40 97.50 97.50 5.67e-08 . . . . 327 1 28 no PRF 0707237A:PDB=3ICB . "protein,Ca binding" . . . . . 98.68 75 98.67 98.67 1.64e-40 . . . . 327 1 29 no REF NP_776682 . "protein S100-G [Bos taurus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 30 no REF XP_004021986 . "PREDICTED: protein S100-G [Ovis aries]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 31 no REF XP_005701114 . "PREDICTED: protein S100-G [Capra hircus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 32 no REF XP_005888771 . "PREDICTED: protein S100-G [Bos mutus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 33 no REF XP_005982038 . "PREDICTED: protein S100-G [Pantholops hodgsonii]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 34 no SP P02633 . "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 35 no TPG DAA12577 . "TPA: protein S100-G [Bos taurus]" . . . . . 98.68 79 98.67 98.67 9.92e-41 . . . . 327 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calbindin common 327 1 'D9k P43G, with leading methionine' variant 327 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 327 1 2 . LYS . 327 1 3 . SER . 327 1 4 . PRO . 327 1 5 . GLU . 327 1 6 . GLU . 327 1 7 . LEU . 327 1 8 . LYS . 327 1 9 . GLY . 327 1 10 . ILE . 327 1 11 . PHE . 327 1 12 . GLU . 327 1 13 . LYS . 327 1 14 . TYR . 327 1 15 . ALA . 327 1 16 . ALA . 327 1 17 . LYS . 327 1 18 . GLU . 327 1 19 . GLY . 327 1 20 . ASP . 327 1 21 . PRO . 327 1 22 . ASN . 327 1 23 . GLN . 327 1 24 . LEU . 327 1 25 . SER . 327 1 26 . LYS . 327 1 27 . GLU . 327 1 28 . GLU . 327 1 29 . LEU . 327 1 30 . LYS . 327 1 31 . LEU . 327 1 32 . LEU . 327 1 33 . LEU . 327 1 34 . GLN . 327 1 35 . THR . 327 1 36 . GLU . 327 1 37 . PHE . 327 1 38 . PRO . 327 1 39 . SER . 327 1 40 . LEU . 327 1 41 . LEU . 327 1 42 . LYS . 327 1 43 . GLY . 327 1 44 . GLY . 327 1 45 . SER . 327 1 46 . THR . 327 1 47 . LEU . 327 1 48 . ASP . 327 1 49 . GLU . 327 1 50 . LEU . 327 1 51 . PHE . 327 1 52 . GLU . 327 1 53 . GLU . 327 1 54 . LEU . 327 1 55 . ASP . 327 1 56 . LYS . 327 1 57 . ASN . 327 1 58 . GLY . 327 1 59 . ASP . 327 1 60 . GLY . 327 1 61 . GLU . 327 1 62 . VAL . 327 1 63 . SER . 327 1 64 . PHE . 327 1 65 . GLU . 327 1 66 . GLU . 327 1 67 . PHE . 327 1 68 . GLN . 327 1 69 . VAL . 327 1 70 . LEU . 327 1 71 . VAL . 327 1 72 . LYS . 327 1 73 . LYS . 327 1 74 . ILE . 327 1 75 . SER . 327 1 76 . GLN . 327 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 327 1 . LYS 2 2 327 1 . SER 3 3 327 1 . PRO 4 4 327 1 . GLU 5 5 327 1 . GLU 6 6 327 1 . LEU 7 7 327 1 . LYS 8 8 327 1 . GLY 9 9 327 1 . ILE 10 10 327 1 . PHE 11 11 327 1 . GLU 12 12 327 1 . LYS 13 13 327 1 . TYR 14 14 327 1 . ALA 15 15 327 1 . ALA 16 16 327 1 . LYS 17 17 327 1 . GLU 18 18 327 1 . GLY 19 19 327 1 . ASP 20 20 327 1 . PRO 21 21 327 1 . ASN 22 22 327 1 . GLN 23 23 327 1 . LEU 24 24 327 1 . SER 25 25 327 1 . LYS 26 26 327 1 . GLU 27 27 327 1 . GLU 28 28 327 1 . LEU 29 29 327 1 . LYS 30 30 327 1 . LEU 31 31 327 1 . LEU 32 32 327 1 . LEU 33 33 327 1 . GLN 34 34 327 1 . THR 35 35 327 1 . GLU 36 36 327 1 . PHE 37 37 327 1 . PRO 38 38 327 1 . SER 39 39 327 1 . LEU 40 40 327 1 . LEU 41 41 327 1 . LYS 42 42 327 1 . GLY 43 43 327 1 . GLY 44 44 327 1 . SER 45 45 327 1 . THR 46 46 327 1 . LEU 47 47 327 1 . ASP 48 48 327 1 . GLU 49 49 327 1 . LEU 50 50 327 1 . PHE 51 51 327 1 . GLU 52 52 327 1 . GLU 53 53 327 1 . LEU 54 54 327 1 . ASP 55 55 327 1 . LYS 56 56 327 1 . ASN 57 57 327 1 . GLY 58 58 327 1 . ASP 59 59 327 1 . GLY 60 60 327 1 . GLU 61 61 327 1 . VAL 62 62 327 1 . SER 63 63 327 1 . PHE 64 64 327 1 . GLU 65 65 327 1 . GLU 66 66 327 1 . PHE 67 67 327 1 . GLN 68 68 327 1 . VAL 69 69 327 1 . LEU 70 70 327 1 . VAL 71 71 327 1 . LYS 72 72 327 1 . LYS 73 73 327 1 . ILE 74 74 327 1 . SER 75 75 327 1 . GLN 76 76 327 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 327 _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 $calbindin . 9909 organism . 'Bos primigenius' cow . . Eukaryota Metazoa Bos primigenius generic . . . . . . . . . . . . . . . . . . . . 327 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 327 _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 $calbindin . 'not available' 'Escherichia coli' . . . Escherichia coli 'SG20043 (lon-)' . . . . . . . . . . . . . . . . . . . . . . 327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 327 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 327 _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 5.25 . na 327 1 temperature 300 . K 327 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 327 _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 unknown unknown . 0 'spectrometer information not available' . . 327 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 327 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 327 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 327 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . H2O/HDO . . . . . ppm 4.75 . . . . . . 1 $entry_citation . . 1 $entry_citation 327 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 327 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.33 . . 1 . . . . . . . . 327 1 2 . 1 1 1 1 MET HB2 H 1 2.07 . . 2 . . . . . . . . 327 1 3 . 1 1 1 1 MET HB3 H 1 2.5 . . 2 . . . . . . . . 327 1 4 . 1 1 1 1 MET HG2 H 1 2.28 . . 1 . . . . . . . . 327 1 5 . 1 1 1 1 MET HG3 H 1 2.28 . . 1 . . . . . . . . 327 1 6 . 1 1 1 1 MET HE1 H 1 2.09 . . 1 . . . . . . . . 327 1 7 . 1 1 1 1 MET HE2 H 1 2.09 . . 1 . . . . . . . . 327 1 8 . 1 1 1 1 MET HE3 H 1 2.09 . . 1 . . . . . . . . 327 1 9 . 1 1 2 2 LYS H H 1 8.71 . . 1 . . . . . . . . 327 1 10 . 1 1 2 2 LYS HA H 1 4.54 . . 1 . . . . . . . . 327 1 11 . 1 1 2 2 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 327 1 12 . 1 1 2 2 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 327 1 13 . 1 1 2 2 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 327 1 14 . 1 1 2 2 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 327 1 15 . 1 1 2 2 LYS HD2 H 1 1.6 . . 2 . . . . . . . . 327 1 16 . 1 1 2 2 LYS HD3 H 1 1.67 . . 2 . . . . . . . . 327 1 17 . 1 1 2 2 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 327 1 18 . 1 1 2 2 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 327 1 19 . 1 1 3 3 SER H H 1 9.05 . . 1 . . . . . . . . 327 1 20 . 1 1 3 3 SER HA H 1 4.72 . . 1 . . . . . . . . 327 1 21 . 1 1 3 3 SER HB2 H 1 4.1 . . 2 . . . . . . . . 327 1 22 . 1 1 3 3 SER HB3 H 1 4.47 . . 2 . . . . . . . . 327 1 23 . 1 1 4 4 PRO HA H 1 4.22 . . 1 . . . . . . . . 327 1 24 . 1 1 4 4 PRO HB2 H 1 2.16 . . 2 . . . . . . . . 327 1 25 . 1 1 4 4 PRO HB3 H 1 2.19 . . 2 . . . . . . . . 327 1 26 . 1 1 4 4 PRO HG2 H 1 2.67 . . 1 . . . . . . . . 327 1 27 . 1 1 4 4 PRO HG3 H 1 2.67 . . 1 . . . . . . . . 327 1 28 . 1 1 4 4 PRO HD2 H 1 3.99 . . 1 . . . . . . . . 327 1 29 . 1 1 4 4 PRO HD3 H 1 3.99 . . 1 . . . . . . . . 327 1 30 . 1 1 5 5 GLU H H 1 8.71 . . 1 . . . . . . . . 327 1 31 . 1 1 5 5 GLU HA H 1 4.05 . . 1 . . . . . . . . 327 1 32 . 1 1 5 5 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 327 1 33 . 1 1 5 5 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 327 1 34 . 1 1 5 5 GLU HG2 H 1 2.3 . . 2 . . . . . . . . 327 1 35 . 1 1 5 5 GLU HG3 H 1 2.45 . . 2 . . . . . . . . 327 1 36 . 1 1 6 6 GLU H H 1 8.04 . . 1 . . . . . . . . 327 1 37 . 1 1 6 6 GLU HA H 1 4.18 . . 1 . . . . . . . . 327 1 38 . 1 1 6 6 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 327 1 39 . 1 1 6 6 GLU HB3 H 1 2.43 . . 2 . . . . . . . . 327 1 40 . 1 1 6 6 GLU HG2 H 1 2.31 . . 2 . . . . . . . . 327 1 41 . 1 1 6 6 GLU HG3 H 1 2.47 . . 2 . . . . . . . . 327 1 42 . 1 1 7 7 LEU H H 1 8.79 . . 1 . . . . . . . . 327 1 43 . 1 1 7 7 LEU HA H 1 4.32 . . 1 . . . . . . . . 327 1 44 . 1 1 7 7 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 327 1 45 . 1 1 7 7 LEU HB3 H 1 2.32 . . 2 . . . . . . . . 327 1 46 . 1 1 7 7 LEU HG H 1 1.98 . . 1 . . . . . . . . 327 1 47 . 1 1 7 7 LEU HD11 H 1 1.03 . . 2 . . . . . . . . 327 1 48 . 1 1 7 7 LEU HD12 H 1 1.03 . . 2 . . . . . . . . 327 1 49 . 1 1 7 7 LEU HD13 H 1 1.03 . . 2 . . . . . . . . 327 1 50 . 1 1 7 7 LEU HD21 H 1 .9 . . 2 . . . . . . . . 327 1 51 . 1 1 7 7 LEU HD22 H 1 .9 . . 2 . . . . . . . . 327 1 52 . 1 1 7 7 LEU HD23 H 1 .9 . . 2 . . . . . . . . 327 1 53 . 1 1 8 8 LYS H H 1 8.52 . . 1 . . . . . . . . 327 1 54 . 1 1 8 8 LYS HA H 1 3.76 . . 1 . . . . . . . . 327 1 55 . 1 1 8 8 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 327 1 56 . 1 1 8 8 LYS HB3 H 1 1.54 . . 2 . . . . . . . . 327 1 57 . 1 1 8 8 LYS HG2 H 1 .79 . . 1 . . . . . . . . 327 1 58 . 1 1 8 8 LYS HG3 H 1 .79 . . 1 . . . . . . . . 327 1 59 . 1 1 8 8 LYS HD2 H 1 1.12 . . 2 . . . . . . . . 327 1 60 . 1 1 8 8 LYS HD3 H 1 1.23 . . 2 . . . . . . . . 327 1 61 . 1 1 8 8 LYS HE2 H 1 2.62 . . 1 . . . . . . . . 327 1 62 . 1 1 8 8 LYS HE3 H 1 2.62 . . 1 . . . . . . . . 327 1 63 . 1 1 9 9 GLY H H 1 7.78 . . 1 . . . . . . . . 327 1 64 . 1 1 9 9 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 327 1 65 . 1 1 9 9 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 327 1 66 . 1 1 10 10 ILE H H 1 7.91 . . 1 . . . . . . . . 327 1 67 . 1 1 10 10 ILE HA H 1 3.93 . . 1 . . . . . . . . 327 1 68 . 1 1 10 10 ILE HB H 1 2.18 . . 1 . . . . . . . . 327 1 69 . 1 1 10 10 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 327 1 70 . 1 1 10 10 ILE HG13 H 1 2 . . 2 . . . . . . . . 327 1 71 . 1 1 10 10 ILE HG21 H 1 1.16 . . 1 . . . . . . . . 327 1 72 . 1 1 10 10 ILE HG22 H 1 1.16 . . 1 . . . . . . . . 327 1 73 . 1 1 10 10 ILE HG23 H 1 1.16 . . 1 . . . . . . . . 327 1 74 . 1 1 10 10 ILE HD11 H 1 .98 . . 1 . . . . . . . . 327 1 75 . 1 1 10 10 ILE HD12 H 1 .98 . . 1 . . . . . . . . 327 1 76 . 1 1 10 10 ILE HD13 H 1 .98 . . 1 . . . . . . . . 327 1 77 . 1 1 11 11 PHE H H 1 8.61 . . 1 . . . . . . . . 327 1 78 . 1 1 11 11 PHE HA H 1 3.56 . . 1 . . . . . . . . 327 1 79 . 1 1 11 11 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 327 1 80 . 1 1 11 11 PHE HB3 H 1 3.37 . . 2 . . . . . . . . 327 1 81 . 1 1 11 11 PHE HD1 H 1 6.6 . . 1 . . . . . . . . 327 1 82 . 1 1 11 11 PHE HD2 H 1 6.6 . . 1 . . . . . . . . 327 1 83 . 1 1 11 11 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 327 1 84 . 1 1 11 11 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 327 1 85 . 1 1 11 11 PHE HZ H 1 7.4 . . 1 . . . . . . . . 327 1 86 . 1 1 12 12 GLU H H 1 8.69 . . 1 . . . . . . . . 327 1 87 . 1 1 12 12 GLU HA H 1 3.93 . . 1 . . . . . . . . 327 1 88 . 1 1 12 12 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 327 1 89 . 1 1 12 12 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 327 1 90 . 1 1 12 12 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 327 1 91 . 1 1 12 12 GLU HG3 H 1 2.68 . . 2 . . . . . . . . 327 1 92 . 1 1 13 13 LYS H H 1 7.65 . . 1 . . . . . . . . 327 1 93 . 1 1 13 13 LYS HA H 1 3.9 . . 1 . . . . . . . . 327 1 94 . 1 1 13 13 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 327 1 95 . 1 1 13 13 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 327 1 96 . 1 1 13 13 LYS HG2 H 1 .87 . . 2 . . . . . . . . 327 1 97 . 1 1 13 13 LYS HG3 H 1 1.3 . . 2 . . . . . . . . 327 1 98 . 1 1 13 13 LYS HD2 H 1 1.59 . . 2 . . . . . . . . 327 1 99 . 1 1 13 13 LYS HD3 H 1 1.54 . . 2 . . . . . . . . 327 1 100 . 1 1 13 13 LYS HE2 H 1 2.78 . . 1 . . . . . . . . 327 1 101 . 1 1 13 13 LYS HE3 H 1 2.78 . . 1 . . . . . . . . 327 1 102 . 1 1 14 14 TYR H H 1 7.28 . . 1 . . . . . . . . 327 1 103 . 1 1 14 14 TYR HA H 1 4.03 . . 1 . . . . . . . . 327 1 104 . 1 1 14 14 TYR HB2 H 1 2.55 . . 2 . . . . . . . . 327 1 105 . 1 1 14 14 TYR HB3 H 1 2.78 . . 2 . . . . . . . . 327 1 106 . 1 1 14 14 TYR HD1 H 1 7.55 . . 1 . . . . . . . . 327 1 107 . 1 1 14 14 TYR HD2 H 1 7.55 . . 1 . . . . . . . . 327 1 108 . 1 1 14 14 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 327 1 109 . 1 1 14 14 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 327 1 110 . 1 1 15 15 ALA H H 1 8.46 . . 1 . . . . . . . . 327 1 111 . 1 1 15 15 ALA HA H 1 3.96 . . 1 . . . . . . . . 327 1 112 . 1 1 15 15 ALA HB1 H 1 .77 . . 1 . . . . . . . . 327 1 113 . 1 1 15 15 ALA HB2 H 1 .77 . . 1 . . . . . . . . 327 1 114 . 1 1 15 15 ALA HB3 H 1 .77 . . 1 . . . . . . . . 327 1 115 . 1 1 16 16 ALA H H 1 7.38 . . 1 . . . . . . . . 327 1 116 . 1 1 16 16 ALA HA H 1 4.01 . . 1 . . . . . . . . 327 1 117 . 1 1 16 16 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 327 1 118 . 1 1 16 16 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 327 1 119 . 1 1 16 16 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 327 1 120 . 1 1 17 17 LYS H H 1 7.12 . . 1 . . . . . . . . 327 1 121 . 1 1 17 17 LYS HA H 1 3.88 . . 1 . . . . . . . . 327 1 122 . 1 1 17 17 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 327 1 123 . 1 1 17 17 LYS HB3 H 1 1.87 . . 2 . . . . . . . . 327 1 124 . 1 1 17 17 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 327 1 125 . 1 1 17 17 LYS HG3 H 1 1.58 . . 2 . . . . . . . . 327 1 126 . 1 1 17 17 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 327 1 127 . 1 1 17 17 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 327 1 128 . 1 1 17 17 LYS HE2 H 1 2.81 . . 2 . . . . . . . . 327 1 129 . 1 1 17 17 LYS HE3 H 1 2.86 . . 2 . . . . . . . . 327 1 130 . 1 1 18 18 GLU H H 1 7.3 . . 1 . . . . . . . . 327 1 131 . 1 1 18 18 GLU HA H 1 4.47 . . 1 . . . . . . . . 327 1 132 . 1 1 18 18 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 327 1 133 . 1 1 18 18 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 327 1 134 . 1 1 18 18 GLU HG2 H 1 2.17 . . 2 . . . . . . . . 327 1 135 . 1 1 18 18 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 327 1 136 . 1 1 19 19 GLY H H 1 8.32 . . 1 . . . . . . . . 327 1 137 . 1 1 19 19 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 327 1 138 . 1 1 19 19 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 327 1 139 . 1 1 20 20 ASP H H 1 8.35 . . 1 . . . . . . . . 327 1 140 . 1 1 20 20 ASP HA H 1 4.83 . . 1 . . . . . . . . 327 1 141 . 1 1 20 20 ASP HB2 H 1 2.55 . . 2 . . . . . . . . 327 1 142 . 1 1 20 20 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 327 1 143 . 1 1 21 21 PRO HA H 1 4.43 . . 1 . . . . . . . . 327 1 144 . 1 1 21 21 PRO HB2 H 1 2.02 . . 2 . . . . . . . . 327 1 145 . 1 1 21 21 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 327 1 146 . 1 1 21 21 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 327 1 147 . 1 1 21 21 PRO HG3 H 1 2.02 . . 2 . . . . . . . . 327 1 148 . 1 1 21 21 PRO HD2 H 1 3.86 . . 1 . . . . . . . . 327 1 149 . 1 1 21 21 PRO HD3 H 1 3.86 . . 1 . . . . . . . . 327 1 150 . 1 1 22 22 ASN H H 1 8.72 . . 1 . . . . . . . . 327 1 151 . 1 1 22 22 ASN HA H 1 5.05 . . 1 . . . . . . . . 327 1 152 . 1 1 22 22 ASN HB2 H 1 2.82 . . 2 . . . . . . . . 327 1 153 . 1 1 22 22 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 327 1 154 . 1 1 22 22 ASN HD21 H 1 7.05 . . 2 . . . . . . . . 327 1 155 . 1 1 22 22 ASN HD22 H 1 8 . . 2 . . . . . . . . 327 1 156 . 1 1 23 23 GLN H H 1 7.7 . . 1 . . . . . . . . 327 1 157 . 1 1 23 23 GLN HA H 1 5.14 . . 1 . . . . . . . . 327 1 158 . 1 1 23 23 GLN HB2 H 1 1.76 . . 2 . . . . . . . . 327 1 159 . 1 1 23 23 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 327 1 160 . 1 1 23 23 GLN HG2 H 1 2.11 . . 2 . . . . . . . . 327 1 161 . 1 1 23 23 GLN HG3 H 1 2.24 . . 2 . . . . . . . . 327 1 162 . 1 1 23 23 GLN HE21 H 1 6.58 . . 2 . . . . . . . . 327 1 163 . 1 1 23 23 GLN HE22 H 1 7.33 . . 2 . . . . . . . . 327 1 164 . 1 1 24 24 LEU H H 1 8.92 . . 1 . . . . . . . . 327 1 165 . 1 1 24 24 LEU HA H 1 4.88 . . 1 . . . . . . . . 327 1 166 . 1 1 24 24 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 327 1 167 . 1 1 24 24 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 327 1 168 . 1 1 24 24 LEU HG H 1 1.24 . . 1 . . . . . . . . 327 1 169 . 1 1 24 24 LEU HD11 H 1 .43 . . 2 . . . . . . . . 327 1 170 . 1 1 24 24 LEU HD12 H 1 .43 . . 2 . . . . . . . . 327 1 171 . 1 1 24 24 LEU HD13 H 1 .43 . . 2 . . . . . . . . 327 1 172 . 1 1 24 24 LEU HD21 H 1 .45 . . 2 . . . . . . . . 327 1 173 . 1 1 24 24 LEU HD22 H 1 .45 . . 2 . . . . . . . . 327 1 174 . 1 1 24 24 LEU HD23 H 1 .45 . . 2 . . . . . . . . 327 1 175 . 1 1 25 25 SER HA H 1 4.75 . . 1 . . . . . . . . 327 1 176 . 1 1 25 25 SER HB2 H 1 4.1 . . 2 . . . . . . . . 327 1 177 . 1 1 25 25 SER HB3 H 1 4.38 . . 2 . . . . . . . . 327 1 178 . 1 1 26 26 LYS H H 1 8.76 . . 1 . . . . . . . . 327 1 179 . 1 1 26 26 LYS HA H 1 3.68 . . 1 . . . . . . . . 327 1 180 . 1 1 26 26 LYS HB2 H 1 1.49 . . 2 . . . . . . . . 327 1 181 . 1 1 26 26 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 327 1 182 . 1 1 26 26 LYS HG2 H 1 1.14 . . 1 . . . . . . . . 327 1 183 . 1 1 26 26 LYS HG3 H 1 1.14 . . 1 . . . . . . . . 327 1 184 . 1 1 26 26 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 327 1 185 . 1 1 26 26 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 327 1 186 . 1 1 26 26 LYS HE2 H 1 2.73 . . 2 . . . . . . . . 327 1 187 . 1 1 26 26 LYS HE3 H 1 2.76 . . 2 . . . . . . . . 327 1 188 . 1 1 27 27 GLU H H 1 8.46 . . 1 . . . . . . . . 327 1 189 . 1 1 27 27 GLU HA H 1 3.94 . . 1 . . . . . . . . 327 1 190 . 1 1 27 27 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 327 1 191 . 1 1 27 27 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 327 1 192 . 1 1 27 27 GLU HG2 H 1 2.3 . . 2 . . . . . . . . 327 1 193 . 1 1 27 27 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 327 1 194 . 1 1 28 28 GLU H H 1 7.72 . . 1 . . . . . . . . 327 1 195 . 1 1 28 28 GLU HA H 1 4.08 . . 1 . . . . . . . . 327 1 196 . 1 1 28 28 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 327 1 197 . 1 1 28 28 GLU HB3 H 1 2.21 . . 2 . . . . . . . . 327 1 198 . 1 1 28 28 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 327 1 199 . 1 1 28 28 GLU HG3 H 1 2.55 . . 2 . . . . . . . . 327 1 200 . 1 1 29 29 LEU H H 1 8.71 . . 1 . . . . . . . . 327 1 201 . 1 1 29 29 LEU HA H 1 4 . . 1 . . . . . . . . 327 1 202 . 1 1 29 29 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 327 1 203 . 1 1 29 29 LEU HB3 H 1 2.28 . . 2 . . . . . . . . 327 1 204 . 1 1 29 29 LEU HG H 1 1.67 . . 1 . . . . . . . . 327 1 205 . 1 1 29 29 LEU HD11 H 1 1 . . 2 . . . . . . . . 327 1 206 . 1 1 29 29 LEU HD12 H 1 1 . . 2 . . . . . . . . 327 1 207 . 1 1 29 29 LEU HD13 H 1 1 . . 2 . . . . . . . . 327 1 208 . 1 1 29 29 LEU HD21 H 1 1.11 . . 2 . . . . . . . . 327 1 209 . 1 1 29 29 LEU HD22 H 1 1.11 . . 2 . . . . . . . . 327 1 210 . 1 1 29 29 LEU HD23 H 1 1.11 . . 2 . . . . . . . . 327 1 211 . 1 1 30 30 LYS H H 1 8.24 . . 1 . . . . . . . . 327 1 212 . 1 1 30 30 LYS HA H 1 3.75 . . 1 . . . . . . . . 327 1 213 . 1 1 30 30 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 327 1 214 . 1 1 30 30 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 327 1 215 . 1 1 30 30 LYS HG2 H 1 1.08 . . 2 . . . . . . . . 327 1 216 . 1 1 30 30 LYS HG3 H 1 1.39 . . 2 . . . . . . . . 327 1 217 . 1 1 30 30 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 327 1 218 . 1 1 30 30 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 327 1 219 . 1 1 30 30 LYS HE2 H 1 2.63 . . 2 . . . . . . . . 327 1 220 . 1 1 30 30 LYS HE3 H 1 2.66 . . 2 . . . . . . . . 327 1 221 . 1 1 31 31 LEU H H 1 7.35 . . 1 . . . . . . . . 327 1 222 . 1 1 31 31 LEU HA H 1 4.12 . . 1 . . . . . . . . 327 1 223 . 1 1 31 31 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 327 1 224 . 1 1 31 31 LEU HB3 H 1 1.86 . . 2 . . . . . . . . 327 1 225 . 1 1 31 31 LEU HG H 1 1.76 . . 1 . . . . . . . . 327 1 226 . 1 1 31 31 LEU HD11 H 1 .97 . . 2 . . . . . . . . 327 1 227 . 1 1 31 31 LEU HD12 H 1 .97 . . 2 . . . . . . . . 327 1 228 . 1 1 31 31 LEU HD13 H 1 .97 . . 2 . . . . . . . . 327 1 229 . 1 1 31 31 LEU HD21 H 1 1.04 . . 2 . . . . . . . . 327 1 230 . 1 1 31 31 LEU HD22 H 1 1.04 . . 2 . . . . . . . . 327 1 231 . 1 1 31 31 LEU HD23 H 1 1.04 . . 2 . . . . . . . . 327 1 232 . 1 1 32 32 LEU H H 1 8.31 . . 1 . . . . . . . . 327 1 233 . 1 1 32 32 LEU HA H 1 2.89 . . 1 . . . . . . . . 327 1 234 . 1 1 32 32 LEU HB2 H 1 .98 . . 2 . . . . . . . . 327 1 235 . 1 1 32 32 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 327 1 236 . 1 1 32 32 LEU HG H 1 1.07 . . 1 . . . . . . . . 327 1 237 . 1 1 32 32 LEU HD11 H 1 .53 . . 2 . . . . . . . . 327 1 238 . 1 1 32 32 LEU HD12 H 1 .53 . . 2 . . . . . . . . 327 1 239 . 1 1 32 32 LEU HD13 H 1 .53 . . 2 . . . . . . . . 327 1 240 . 1 1 32 32 LEU HD21 H 1 .93 . . 2 . . . . . . . . 327 1 241 . 1 1 32 32 LEU HD22 H 1 .93 . . 2 . . . . . . . . 327 1 242 . 1 1 32 32 LEU HD23 H 1 .93 . . 2 . . . . . . . . 327 1 243 . 1 1 33 33 LEU H H 1 8.82 . . 1 . . . . . . . . 327 1 244 . 1 1 33 33 LEU HA H 1 4.01 . . 1 . . . . . . . . 327 1 245 . 1 1 33 33 LEU HB2 H 1 1.4 . . 2 . . . . . . . . 327 1 246 . 1 1 33 33 LEU HB3 H 1 2.06 . . 2 . . . . . . . . 327 1 247 . 1 1 33 33 LEU HG H 1 2.02 . . 1 . . . . . . . . 327 1 248 . 1 1 33 33 LEU HD11 H 1 .76 . . 2 . . . . . . . . 327 1 249 . 1 1 33 33 LEU HD12 H 1 .76 . . 2 . . . . . . . . 327 1 250 . 1 1 33 33 LEU HD13 H 1 .76 . . 2 . . . . . . . . 327 1 251 . 1 1 33 33 LEU HD21 H 1 .83 . . 2 . . . . . . . . 327 1 252 . 1 1 33 33 LEU HD22 H 1 .83 . . 2 . . . . . . . . 327 1 253 . 1 1 33 33 LEU HD23 H 1 .83 . . 2 . . . . . . . . 327 1 254 . 1 1 34 34 GLN H H 1 8.15 . . 1 . . . . . . . . 327 1 255 . 1 1 34 34 GLN HA H 1 3.95 . . 1 . . . . . . . . 327 1 256 . 1 1 34 34 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 327 1 257 . 1 1 34 34 GLN HB3 H 1 2.25 . . 2 . . . . . . . . 327 1 258 . 1 1 34 34 GLN HG2 H 1 2.38 . . 2 . . . . . . . . 327 1 259 . 1 1 34 34 GLN HG3 H 1 2.56 . . 2 . . . . . . . . 327 1 260 . 1 1 34 34 GLN HE21 H 1 6.81 . . 2 . . . . . . . . 327 1 261 . 1 1 34 34 GLN HE22 H 1 7.26 . . 2 . . . . . . . . 327 1 262 . 1 1 35 35 THR H H 1 7.82 . . 1 . . . . . . . . 327 1 263 . 1 1 35 35 THR HA H 1 4.08 . . 1 . . . . . . . . 327 1 264 . 1 1 35 35 THR HB H 1 4.29 . . 1 . . . . . . . . 327 1 265 . 1 1 35 35 THR HG21 H 1 1.25 . . 1 . . . . . . . . 327 1 266 . 1 1 35 35 THR HG22 H 1 1.25 . . 1 . . . . . . . . 327 1 267 . 1 1 35 35 THR HG23 H 1 1.25 . . 1 . . . . . . . . 327 1 268 . 1 1 36 36 GLU H H 1 8.83 . . 1 . . . . . . . . 327 1 269 . 1 1 36 36 GLU HA H 1 4.24 . . 1 . . . . . . . . 327 1 270 . 1 1 36 36 GLU HB2 H 1 1.56 . . 2 . . . . . . . . 327 1 271 . 1 1 36 36 GLU HB3 H 1 1.63 . . 2 . . . . . . . . 327 1 272 . 1 1 36 36 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 327 1 273 . 1 1 36 36 GLU HG3 H 1 2.51 . . 2 . . . . . . . . 327 1 274 . 1 1 37 37 PHE H H 1 7.81 . . 1 . . . . . . . . 327 1 275 . 1 1 37 37 PHE HA H 1 5.16 . . 1 . . . . . . . . 327 1 276 . 1 1 37 37 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 327 1 277 . 1 1 37 37 PHE HB3 H 1 3.31 . . 2 . . . . . . . . 327 1 278 . 1 1 37 37 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 327 1 279 . 1 1 37 37 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 327 1 280 . 1 1 37 37 PHE HE1 H 1 7.15 . . 1 . . . . . . . . 327 1 281 . 1 1 37 37 PHE HE2 H 1 7.15 . . 1 . . . . . . . . 327 1 282 . 1 1 37 37 PHE HZ H 1 6.99 . . 1 . . . . . . . . 327 1 283 . 1 1 38 38 PRO HA H 1 4.31 . . 1 . . . . . . . . 327 1 284 . 1 1 38 38 PRO HB2 H 1 2 . . 2 . . . . . . . . 327 1 285 . 1 1 38 38 PRO HB3 H 1 2.43 . . 2 . . . . . . . . 327 1 286 . 1 1 38 38 PRO HG2 H 1 2 . . 1 . . . . . . . . 327 1 287 . 1 1 38 38 PRO HG3 H 1 2 . . 1 . . . . . . . . 327 1 288 . 1 1 38 38 PRO HD2 H 1 3.25 . . 2 . . . . . . . . 327 1 289 . 1 1 38 38 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 327 1 290 . 1 1 39 39 SER H H 1 8.35 . . 1 . . . . . . . . 327 1 291 . 1 1 39 39 SER HA H 1 4.32 . . 1 . . . . . . . . 327 1 292 . 1 1 39 39 SER HB2 H 1 3.94 . . 2 . . . . . . . . 327 1 293 . 1 1 39 39 SER HB3 H 1 4.03 . . 2 . . . . . . . . 327 1 294 . 1 1 40 40 LEU H H 1 7.94 . . 1 . . . . . . . . 327 1 295 . 1 1 40 40 LEU HA H 1 4.37 . . 1 . . . . . . . . 327 1 296 . 1 1 40 40 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 327 1 297 . 1 1 40 40 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 327 1 298 . 1 1 40 40 LEU HG H 1 1.73 . . 1 . . . . . . . . 327 1 299 . 1 1 40 40 LEU HD11 H 1 .84 . . 1 . . . . . . . . 327 1 300 . 1 1 40 40 LEU HD12 H 1 .84 . . 1 . . . . . . . . 327 1 301 . 1 1 40 40 LEU HD13 H 1 .84 . . 1 . . . . . . . . 327 1 302 . 1 1 40 40 LEU HD21 H 1 .84 . . 1 . . . . . . . . 327 1 303 . 1 1 40 40 LEU HD22 H 1 .84 . . 1 . . . . . . . . 327 1 304 . 1 1 40 40 LEU HD23 H 1 .84 . . 1 . . . . . . . . 327 1 305 . 1 1 41 41 LEU H H 1 7.63 . . 1 . . . . . . . . 327 1 306 . 1 1 41 41 LEU HA H 1 4.4 . . 1 . . . . . . . . 327 1 307 . 1 1 41 41 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 327 1 308 . 1 1 41 41 LEU HB3 H 1 1.79 . . 2 . . . . . . . . 327 1 309 . 1 1 41 41 LEU HG H 1 1.77 . . 1 . . . . . . . . 327 1 310 . 1 1 41 41 LEU HD11 H 1 .81 . . 2 . . . . . . . . 327 1 311 . 1 1 41 41 LEU HD12 H 1 .81 . . 2 . . . . . . . . 327 1 312 . 1 1 41 41 LEU HD13 H 1 .81 . . 2 . . . . . . . . 327 1 313 . 1 1 41 41 LEU HD21 H 1 .94 . . 2 . . . . . . . . 327 1 314 . 1 1 41 41 LEU HD22 H 1 .94 . . 2 . . . . . . . . 327 1 315 . 1 1 41 41 LEU HD23 H 1 .94 . . 2 . . . . . . . . 327 1 316 . 1 1 42 42 LYS H H 1 7.89 . . 1 . . . . . . . . 327 1 317 . 1 1 42 42 LYS HA H 1 4.35 . . 1 . . . . . . . . 327 1 318 . 1 1 42 42 LYS HB2 H 1 1.8 . . 2 . . . . . . . . 327 1 319 . 1 1 42 42 LYS HB3 H 1 1.91 . . 2 . . . . . . . . 327 1 320 . 1 1 42 42 LYS HG2 H 1 1.4 . . 2 . . . . . . . . 327 1 321 . 1 1 42 42 LYS HG3 H 1 1.47 . . 2 . . . . . . . . 327 1 322 . 1 1 42 42 LYS HD2 H 1 1.67 . . 2 . . . . . . . . 327 1 323 . 1 1 42 42 LYS HD3 H 1 1.71 . . 2 . . . . . . . . 327 1 324 . 1 1 42 42 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 327 1 325 . 1 1 42 42 LYS HE3 H 1 3.01 . . 2 . . . . . . . . 327 1 326 . 1 1 43 43 GLY H H 1 8.27 . . 1 . . . . . . . . 327 1 327 . 1 1 43 43 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 327 1 328 . 1 1 43 43 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 327 1 329 . 1 1 44 44 GLY H H 1 8.42 . . 1 . . . . . . . . 327 1 330 . 1 1 44 44 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 327 1 331 . 1 1 44 44 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 327 1 332 . 1 1 45 45 SER H H 1 8.27 . . 1 . . . . . . . . 327 1 333 . 1 1 45 45 SER HA H 1 4.63 . . 1 . . . . . . . . 327 1 334 . 1 1 45 45 SER HB2 H 1 3.92 . . 1 . . . . . . . . 327 1 335 . 1 1 45 45 SER HB3 H 1 3.92 . . 1 . . . . . . . . 327 1 336 . 1 1 46 46 THR H H 1 8.02 . . 1 . . . . . . . . 327 1 337 . 1 1 46 46 THR HA H 1 4.21 . . 1 . . . . . . . . 327 1 338 . 1 1 46 46 THR HB H 1 4.29 . . 1 . . . . . . . . 327 1 339 . 1 1 46 46 THR HG21 H 1 1.26 . . 1 . . . . . . . . 327 1 340 . 1 1 46 46 THR HG22 H 1 1.26 . . 1 . . . . . . . . 327 1 341 . 1 1 46 46 THR HG23 H 1 1.26 . . 1 . . . . . . . . 327 1 342 . 1 1 47 47 LEU H H 1 8.4 . . 1 . . . . . . . . 327 1 343 . 1 1 47 47 LEU HA H 1 3.96 . . 1 . . . . . . . . 327 1 344 . 1 1 47 47 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 327 1 345 . 1 1 47 47 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 327 1 346 . 1 1 47 47 LEU HG H 1 1.54 . . 1 . . . . . . . . 327 1 347 . 1 1 47 47 LEU HD11 H 1 .83 . . 2 . . . . . . . . 327 1 348 . 1 1 47 47 LEU HD12 H 1 .83 . . 2 . . . . . . . . 327 1 349 . 1 1 47 47 LEU HD13 H 1 .83 . . 2 . . . . . . . . 327 1 350 . 1 1 47 47 LEU HD21 H 1 .88 . . 2 . . . . . . . . 327 1 351 . 1 1 47 47 LEU HD22 H 1 .88 . . 2 . . . . . . . . 327 1 352 . 1 1 47 47 LEU HD23 H 1 .88 . . 2 . . . . . . . . 327 1 353 . 1 1 48 48 ASP H H 1 7.98 . . 1 . . . . . . . . 327 1 354 . 1 1 48 48 ASP HA H 1 4.27 . . 1 . . . . . . . . 327 1 355 . 1 1 48 48 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 327 1 356 . 1 1 48 48 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 327 1 357 . 1 1 49 49 GLU H H 1 7.96 . . 1 . . . . . . . . 327 1 358 . 1 1 49 49 GLU HA H 1 4.05 . . 1 . . . . . . . . 327 1 359 . 1 1 49 49 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 327 1 360 . 1 1 49 49 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 327 1 361 . 1 1 49 49 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 327 1 362 . 1 1 49 49 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 327 1 363 . 1 1 50 50 LEU H H 1 7.97 . . 1 . . . . . . . . 327 1 364 . 1 1 50 50 LEU HA H 1 4.07 . . 1 . . . . . . . . 327 1 365 . 1 1 50 50 LEU HB2 H 1 1.48 . . 2 . . . . . . . . 327 1 366 . 1 1 50 50 LEU HB3 H 1 1.79 . . 2 . . . . . . . . 327 1 367 . 1 1 50 50 LEU HG H 1 1.7 . . 1 . . . . . . . . 327 1 368 . 1 1 50 50 LEU HD11 H 1 .76 . . 2 . . . . . . . . 327 1 369 . 1 1 50 50 LEU HD12 H 1 .76 . . 2 . . . . . . . . 327 1 370 . 1 1 50 50 LEU HD13 H 1 .76 . . 2 . . . . . . . . 327 1 371 . 1 1 50 50 LEU HD21 H 1 .78 . . 2 . . . . . . . . 327 1 372 . 1 1 50 50 LEU HD22 H 1 .78 . . 2 . . . . . . . . 327 1 373 . 1 1 50 50 LEU HD23 H 1 .78 . . 2 . . . . . . . . 327 1 374 . 1 1 51 51 PHE H H 1 8.48 . . 1 . . . . . . . . 327 1 375 . 1 1 51 51 PHE HA H 1 4.12 . . 1 . . . . . . . . 327 1 376 . 1 1 51 51 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 327 1 377 . 1 1 51 51 PHE HB3 H 1 3.24 . . 2 . . . . . . . . 327 1 378 . 1 1 51 51 PHE HD1 H 1 7.26 . . 1 . . . . . . . . 327 1 379 . 1 1 51 51 PHE HD2 H 1 7.26 . . 1 . . . . . . . . 327 1 380 . 1 1 51 51 PHE HE1 H 1 7.2 . . 1 . . . . . . . . 327 1 381 . 1 1 51 51 PHE HE2 H 1 7.2 . . 1 . . . . . . . . 327 1 382 . 1 1 51 51 PHE HZ H 1 7.11 . . 1 . . . . . . . . 327 1 383 . 1 1 52 52 GLU H H 1 7.98 . . 1 . . . . . . . . 327 1 384 . 1 1 52 52 GLU HA H 1 4.12 . . 1 . . . . . . . . 327 1 385 . 1 1 52 52 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 327 1 386 . 1 1 52 52 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 327 1 387 . 1 1 52 52 GLU HG2 H 1 2.41 . . 2 . . . . . . . . 327 1 388 . 1 1 52 52 GLU HG3 H 1 2.52 . . 2 . . . . . . . . 327 1 389 . 1 1 53 53 GLU H H 1 7.65 . . 1 . . . . . . . . 327 1 390 . 1 1 53 53 GLU HA H 1 4.07 . . 1 . . . . . . . . 327 1 391 . 1 1 53 53 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 327 1 392 . 1 1 53 53 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 327 1 393 . 1 1 53 53 GLU HG2 H 1 2.29 . . 2 . . . . . . . . 327 1 394 . 1 1 53 53 GLU HG3 H 1 2.42 . . 2 . . . . . . . . 327 1 395 . 1 1 54 54 LEU H H 1 7.72 . . 1 . . . . . . . . 327 1 396 . 1 1 54 54 LEU HA H 1 4.16 . . 1 . . . . . . . . 327 1 397 . 1 1 54 54 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 327 1 398 . 1 1 54 54 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 327 1 399 . 1 1 54 54 LEU HG H 1 1.84 . . 1 . . . . . . . . 327 1 400 . 1 1 54 54 LEU HD11 H 1 .71 . . 2 . . . . . . . . 327 1 401 . 1 1 54 54 LEU HD12 H 1 .71 . . 2 . . . . . . . . 327 1 402 . 1 1 54 54 LEU HD13 H 1 .71 . . 2 . . . . . . . . 327 1 403 . 1 1 54 54 LEU HD21 H 1 .79 . . 2 . . . . . . . . 327 1 404 . 1 1 54 54 LEU HD22 H 1 .79 . . 2 . . . . . . . . 327 1 405 . 1 1 54 54 LEU HD23 H 1 .79 . . 2 . . . . . . . . 327 1 406 . 1 1 55 55 ASP H H 1 8.1 . . 1 . . . . . . . . 327 1 407 . 1 1 55 55 ASP HA H 1 4.52 . . 1 . . . . . . . . 327 1 408 . 1 1 55 55 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 327 1 409 . 1 1 55 55 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 327 1 410 . 1 1 56 56 LYS H H 1 7.94 . . 1 . . . . . . . . 327 1 411 . 1 1 56 56 LYS HA H 1 4.21 . . 1 . . . . . . . . 327 1 412 . 1 1 56 56 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 327 1 413 . 1 1 56 56 LYS HB3 H 1 1.89 . . 2 . . . . . . . . 327 1 414 . 1 1 56 56 LYS HG2 H 1 1.45 . . 2 . . . . . . . . 327 1 415 . 1 1 56 56 LYS HG3 H 1 1.52 . . 2 . . . . . . . . 327 1 416 . 1 1 56 56 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 327 1 417 . 1 1 56 56 LYS HD3 H 1 1.66 . . 2 . . . . . . . . 327 1 418 . 1 1 56 56 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 327 1 419 . 1 1 56 56 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 327 1 420 . 1 1 57 57 ASN H H 1 8.17 . . 1 . . . . . . . . 327 1 421 . 1 1 57 57 ASN HA H 1 4.78 . . 1 . . . . . . . . 327 1 422 . 1 1 57 57 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 327 1 423 . 1 1 57 57 ASN HB3 H 1 2.93 . . 2 . . . . . . . . 327 1 424 . 1 1 57 57 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 327 1 425 . 1 1 57 57 ASN HD22 H 1 7.73 . . 2 . . . . . . . . 327 1 426 . 1 1 58 58 GLY H H 1 8.04 . . 1 . . . . . . . . 327 1 427 . 1 1 58 58 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 327 1 428 . 1 1 58 58 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 327 1 429 . 1 1 59 59 ASP H H 1 8.49 . . 1 . . . . . . . . 327 1 430 . 1 1 59 59 ASP HA H 1 4.74 . . 1 . . . . . . . . 327 1 431 . 1 1 59 59 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 327 1 432 . 1 1 59 59 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 327 1 433 . 1 1 60 60 GLY H H 1 8.94 . . 1 . . . . . . . . 327 1 434 . 1 1 60 60 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 327 1 435 . 1 1 60 60 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 327 1 436 . 1 1 61 61 GLU H H 1 7.86 . . 1 . . . . . . . . 327 1 437 . 1 1 61 61 GLU HA H 1 4.93 . . 1 . . . . . . . . 327 1 438 . 1 1 61 61 GLU HB2 H 1 1.83 . . 2 . . . . . . . . 327 1 439 . 1 1 61 61 GLU HB3 H 1 2 . . 2 . . . . . . . . 327 1 440 . 1 1 61 61 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 327 1 441 . 1 1 61 61 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 327 1 442 . 1 1 62 62 VAL H H 1 9.18 . . 1 . . . . . . . . 327 1 443 . 1 1 62 62 VAL HA H 1 4.65 . . 1 . . . . . . . . 327 1 444 . 1 1 62 62 VAL HB H 1 2.29 . . 1 . . . . . . . . 327 1 445 . 1 1 62 62 VAL HG11 H 1 .96 . . 2 . . . . . . . . 327 1 446 . 1 1 62 62 VAL HG12 H 1 .96 . . 2 . . . . . . . . 327 1 447 . 1 1 62 62 VAL HG13 H 1 .96 . . 2 . . . . . . . . 327 1 448 . 1 1 62 62 VAL HG21 H 1 1.07 . . 2 . . . . . . . . 327 1 449 . 1 1 62 62 VAL HG22 H 1 1.07 . . 2 . . . . . . . . 327 1 450 . 1 1 62 62 VAL HG23 H 1 1.07 . . 2 . . . . . . . . 327 1 451 . 1 1 63 63 SER H H 1 8.55 . . 1 . . . . . . . . 327 1 452 . 1 1 63 63 SER HA H 1 5.01 . . 1 . . . . . . . . 327 1 453 . 1 1 63 63 SER HB2 H 1 4.19 . . 2 . . . . . . . . 327 1 454 . 1 1 63 63 SER HB3 H 1 4.52 . . 2 . . . . . . . . 327 1 455 . 1 1 64 64 PHE H H 1 9.34 . . 1 . . . . . . . . 327 1 456 . 1 1 64 64 PHE HA H 1 3.47 . . 1 . . . . . . . . 327 1 457 . 1 1 64 64 PHE HB2 H 1 2.22 . . 2 . . . . . . . . 327 1 458 . 1 1 64 64 PHE HB3 H 1 2.57 . . 2 . . . . . . . . 327 1 459 . 1 1 64 64 PHE HD1 H 1 6.75 . . 1 . . . . . . . . 327 1 460 . 1 1 64 64 PHE HD2 H 1 6.75 . . 1 . . . . . . . . 327 1 461 . 1 1 64 64 PHE HE1 H 1 7.16 . . 1 . . . . . . . . 327 1 462 . 1 1 64 64 PHE HE2 H 1 7.16 . . 1 . . . . . . . . 327 1 463 . 1 1 64 64 PHE HZ H 1 7.31 . . 1 . . . . . . . . 327 1 464 . 1 1 65 65 GLU H H 1 8.69 . . 1 . . . . . . . . 327 1 465 . 1 1 65 65 GLU HA H 1 3.73 . . 1 . . . . . . . . 327 1 466 . 1 1 65 65 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 327 1 467 . 1 1 65 65 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 327 1 468 . 1 1 65 65 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 327 1 469 . 1 1 65 65 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 327 1 470 . 1 1 66 66 GLU H H 1 7.56 . . 1 . . . . . . . . 327 1 471 . 1 1 66 66 GLU HA H 1 4.01 . . 1 . . . . . . . . 327 1 472 . 1 1 66 66 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 327 1 473 . 1 1 66 66 GLU HB3 H 1 2.34 . . 2 . . . . . . . . 327 1 474 . 1 1 66 66 GLU HG2 H 1 2.43 . . 1 . . . . . . . . 327 1 475 . 1 1 66 66 GLU HG3 H 1 2.43 . . 1 . . . . . . . . 327 1 476 . 1 1 67 67 PHE H H 1 8.76 . . 1 . . . . . . . . 327 1 477 . 1 1 67 67 PHE HA H 1 4.13 . . 1 . . . . . . . . 327 1 478 . 1 1 67 67 PHE HB2 H 1 3.23 . . 2 . . . . . . . . 327 1 479 . 1 1 67 67 PHE HB3 H 1 3.38 . . 2 . . . . . . . . 327 1 480 . 1 1 67 67 PHE HD1 H 1 7.12 . . 1 . . . . . . . . 327 1 481 . 1 1 67 67 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 327 1 482 . 1 1 67 67 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 327 1 483 . 1 1 67 67 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 327 1 484 . 1 1 67 67 PHE HZ H 1 7.2 . . 1 . . . . . . . . 327 1 485 . 1 1 68 68 GLN H H 1 8.08 . . 1 . . . . . . . . 327 1 486 . 1 1 68 68 GLN HA H 1 3.25 . . 1 . . . . . . . . 327 1 487 . 1 1 68 68 GLN HB2 H 1 1.73 . . 2 . . . . . . . . 327 1 488 . 1 1 68 68 GLN HB3 H 1 1.76 . . 2 . . . . . . . . 327 1 489 . 1 1 68 68 GLN HG2 H 1 1.67 . . 2 . . . . . . . . 327 1 490 . 1 1 68 68 GLN HG3 H 1 2.01 . . 2 . . . . . . . . 327 1 491 . 1 1 68 68 GLN HE21 H 1 6.22 . . 2 . . . . . . . . 327 1 492 . 1 1 68 68 GLN HE22 H 1 6.71 . . 2 . . . . . . . . 327 1 493 . 1 1 69 69 VAL H H 1 7.12 . . 1 . . . . . . . . 327 1 494 . 1 1 69 69 VAL HA H 1 3.43 . . 1 . . . . . . . . 327 1 495 . 1 1 69 69 VAL HB H 1 2.16 . . 1 . . . . . . . . 327 1 496 . 1 1 69 69 VAL HG11 H 1 .87 . . 2 . . . . . . . . 327 1 497 . 1 1 69 69 VAL HG12 H 1 .87 . . 2 . . . . . . . . 327 1 498 . 1 1 69 69 VAL HG13 H 1 .87 . . 2 . . . . . . . . 327 1 499 . 1 1 69 69 VAL HG21 H 1 1 . . 2 . . . . . . . . 327 1 500 . 1 1 69 69 VAL HG22 H 1 1 . . 2 . . . . . . . . 327 1 501 . 1 1 69 69 VAL HG23 H 1 1 . . 2 . . . . . . . . 327 1 502 . 1 1 70 70 LEU H H 1 7.71 . . 1 . . . . . . . . 327 1 503 . 1 1 70 70 LEU HA H 1 3.88 . . 1 . . . . . . . . 327 1 504 . 1 1 70 70 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 327 1 505 . 1 1 70 70 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 327 1 506 . 1 1 70 70 LEU HG H 1 1.67 . . 1 . . . . . . . . 327 1 507 . 1 1 70 70 LEU HD11 H 1 .82 . . 2 . . . . . . . . 327 1 508 . 1 1 70 70 LEU HD12 H 1 .82 . . 2 . . . . . . . . 327 1 509 . 1 1 70 70 LEU HD13 H 1 .82 . . 2 . . . . . . . . 327 1 510 . 1 1 70 70 LEU HD21 H 1 .86 . . 2 . . . . . . . . 327 1 511 . 1 1 70 70 LEU HD22 H 1 .86 . . 2 . . . . . . . . 327 1 512 . 1 1 70 70 LEU HD23 H 1 .86 . . 2 . . . . . . . . 327 1 513 . 1 1 71 71 VAL H H 1 7.91 . . 1 . . . . . . . . 327 1 514 . 1 1 71 71 VAL HA H 1 3.12 . . 1 . . . . . . . . 327 1 515 . 1 1 71 71 VAL HB H 1 1.49 . . 1 . . . . . . . . 327 1 516 . 1 1 71 71 VAL HG11 H 1 .09 . . 2 . . . . . . . . 327 1 517 . 1 1 71 71 VAL HG12 H 1 .09 . . 2 . . . . . . . . 327 1 518 . 1 1 71 71 VAL HG13 H 1 .09 . . 2 . . . . . . . . 327 1 519 . 1 1 71 71 VAL HG21 H 1 .46 . . 2 . . . . . . . . 327 1 520 . 1 1 71 71 VAL HG22 H 1 .46 . . 2 . . . . . . . . 327 1 521 . 1 1 71 71 VAL HG23 H 1 .46 . . 2 . . . . . . . . 327 1 522 . 1 1 72 72 LYS H H 1 7.53 . . 1 . . . . . . . . 327 1 523 . 1 1 72 72 LYS HA H 1 3.91 . . 1 . . . . . . . . 327 1 524 . 1 1 72 72 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 327 1 525 . 1 1 72 72 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 327 1 526 . 1 1 72 72 LYS HG2 H 1 1.36 . . 2 . . . . . . . . 327 1 527 . 1 1 72 72 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 327 1 528 . 1 1 72 72 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 327 1 529 . 1 1 72 72 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 327 1 530 . 1 1 72 72 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 327 1 531 . 1 1 72 72 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 327 1 532 . 1 1 73 73 LYS H H 1 7.68 . . 1 . . . . . . . . 327 1 533 . 1 1 73 73 LYS HA H 1 4.06 . . 1 . . . . . . . . 327 1 534 . 1 1 73 73 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 327 1 535 . 1 1 73 73 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 327 1 536 . 1 1 73 73 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 327 1 537 . 1 1 73 73 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 327 1 538 . 1 1 73 73 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 327 1 539 . 1 1 73 73 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 327 1 540 . 1 1 73 73 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 327 1 541 . 1 1 73 73 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 327 1 542 . 1 1 74 74 ILE H H 1 7.57 . . 1 . . . . . . . . 327 1 543 . 1 1 74 74 ILE HA H 1 4.29 . . 1 . . . . . . . . 327 1 544 . 1 1 74 74 ILE HB H 1 2.01 . . 1 . . . . . . . . 327 1 545 . 1 1 74 74 ILE HG12 H 1 1.23 . . 1 . . . . . . . . 327 1 546 . 1 1 74 74 ILE HG13 H 1 1.23 . . 1 . . . . . . . . 327 1 547 . 1 1 74 74 ILE HG21 H 1 .42 . . 1 . . . . . . . . 327 1 548 . 1 1 74 74 ILE HG22 H 1 .42 . . 1 . . . . . . . . 327 1 549 . 1 1 74 74 ILE HG23 H 1 .42 . . 1 . . . . . . . . 327 1 550 . 1 1 74 74 ILE HD11 H 1 .8 . . 1 . . . . . . . . 327 1 551 . 1 1 74 74 ILE HD12 H 1 .8 . . 1 . . . . . . . . 327 1 552 . 1 1 74 74 ILE HD13 H 1 .8 . . 1 . . . . . . . . 327 1 553 . 1 1 75 75 SER H H 1 7.61 . . 1 . . . . . . . . 327 1 554 . 1 1 75 75 SER HA H 1 4.51 . . 1 . . . . . . . . 327 1 555 . 1 1 75 75 SER HB2 H 1 3.85 . . 2 . . . . . . . . 327 1 556 . 1 1 75 75 SER HB3 H 1 3.88 . . 2 . . . . . . . . 327 1 557 . 1 1 76 76 GLN H H 1 7.6 . . 1 . . . . . . . . 327 1 558 . 1 1 76 76 GLN HA H 1 4.14 . . 1 . . . . . . . . 327 1 559 . 1 1 76 76 GLN HB2 H 1 1.94 . . 2 . . . . . . . . 327 1 560 . 1 1 76 76 GLN HB3 H 1 2.13 . . 2 . . . . . . . . 327 1 561 . 1 1 76 76 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 327 1 562 . 1 1 76 76 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 327 1 563 . 1 1 76 76 GLN HE21 H 1 6.8 . . 2 . . . . . . . . 327 1 564 . 1 1 76 76 GLN HE22 H 1 7.5 . . 2 . . . . . . . . 327 1 stop_ save_