data_4429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4429 _Entry.Title ; 1H and 15N Chemical Shift Assignments for ribosomal protein L7 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-10-03 _Entry.Accession_date 1999-10-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The chemical shifts of L7 major form are presented. There are two forms of protein L7 in solution due to cis/trans (1/2) isomerization of the Gly43-Pro44 peptide bond in the flexible interdomain (hinge) region. In the HSQC spectrum the cross-peaks of residues Ala34-Val45 from hinge region are doublet. L7 is the N-terminal acetylated form of L12. ; _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 Eduard Bocharov . V. . 4429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4429 coupling_constants 1 4429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 823 4429 '15N chemical shifts' 120 4429 'coupling constants' 118 4429 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-07-12 . update BMRB 'Modify the saveframe name.' 4429 2 . . 1999-12-23 . original author 'Original release.' 4429 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4429 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96184584 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Bocharov, E. V., Gudkov, A. T., and Arseniev, A. S., "Topology of the secondary structure elements of ribosomal protein L7/L12 from E.coli in solution," FEBS Lett. 379, 291-294 (1996).' _Citation.Title ; Topology of the secondary structure elements of ribosomal protein L7/L12 from E.coli in solutio ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 379 _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 291 _Citation.Page_last 294 _Citation.Year 1996 _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 Eduard Bocharov . V. . 4429 1 2 Anatolij Gudkov . T. . 4429 1 3 Alexandr Arseniev . S. . 4429 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ribosome 4429 1 'L7/L12 protein' 4429 1 'sequence-specific NMR assignment' 4429 1 'secondary structure' 4429 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4429 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels C., Xia T.-H., Billeter M., Guntert P. & Wuthrich K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J. Biomol. NMR (1995) 6, 1-10. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4429 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9367762 _Citation.Full_citation ; Guntert P., Mumenthaler C. & Wuthrich K. Torsion angle dynamics for NMR structure calculation with new program DYANA, J. Mol. Biol. (1997) 273, 283-298. ; _Citation.Title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 273 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 283 _Citation.Page_last 298 _Citation.Year 1997 _Citation.Details ; The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient calculation of three-dimensional protein and nucleic acid structures from distance constraints and torsion angle constraints collected by nuclear magnetic resonance (NMR) experiments performs simulated annealing by molecular dynamics in torsion angle space and uses a fast recursive algorithm to integrate the equations of motions. Torsion angle dynamics can be more efficient than molecular dynamics in Cartesian coordinate space because of the reduced number of degrees of freedom and the concomitant absence of high-frequency bond and angle vibrations, which allows for the use of longer time-steps and/or higher temperatures in the structure calculation. It also represents a significant advance over the variable target function method in torsion angle space with the REDAC strategy used by the predecessor program DIANA. DYANA computation times per accepted conformer in the "bundle" used to represent the NMR structure compare favorably with those of other presently available structure calculation algorithms, and are of the order of 160 seconds for a protein of 165 amino acid residues when using a DEC Alpha 8400 5/300 computer. Test calculations starting from conformers with random torsion angle values further showed that DYANA is capable of efficient calculation of high-quality protein structures with up to 400 amino acid residues, and of nucleic acid structures. ; 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 P. Guntert P. . . 4429 3 2 C. Mumenthaler C. . . 4429 3 3 K. Wuthrich K. . . 4429 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4429 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Schaumann T., Braun W. & Wuthrich K. (1990) The program FANTOM for energy refinement of polypeptides and proteins using a Newton-Raphson minimizer in torsion angle space, Biopolymers 29, 679-694. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 4429 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Koradi R., Billiter M. & Wutrich, K (1996) MOLMOL: a program for display and analysis of macromolecular structures, J. Mol. Graphics 14, 51-55. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_L7 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_L7 _Assembly.Entry_ID 4429 _Assembly.ID 1 _Assembly.Name 'ribosomal protein L7 from E. coli' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _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 homodimer 4429 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 'L7 dimer subunit A' 1 $L7_L12 . . . native . . 1 . . 4429 1 2 'L7 dimer subunit B' 1 $L7_L12 . . . native . . 1 . . 4429 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 . PDB 1ctf . . . . . ; X-Ray structure of the L7/L12 C-terminal domain (Ala47-Lys120) ; 4429 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribosomal protein L7 from E. coli' system 4429 1 L7 abbreviation 4429 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Protein L7/L12 is very important for the protein synthesis in ribosome. Two L7/L12 dimers are associated with 23S rRNA via protein L10 near from the A-site of ribosome. The following model of the L7/L12 dimer was derived: two N-terminal parts (Ser1-Ser33)*2 form a symmetrical four-helical bundle, and two independent identical globular C-terminal domains (Thr52-Lys120) are connected to the bundle via highly mobile hinge regions. The N-domain of the L7/L12 dimer is responsible for its incorporation into the ribosome. The C-domains of the L7/L12 dimer are crucial for inducing GTPase activity in EF-Tu and EF-G elongation factors. ; 4429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L7_L12 _Entity.Sf_category entity _Entity.Sf_framecode L7_L12 _Entity.Entry_ID 4429 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E.coli ribosomal protein L7/L12' _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 ; SITKDQIIEAVAAMSVMDVV ELISAMEEKFGVSAAAAVAV AAGPVEAAEEKTEFDVILKA AGANKVAVIKAVRGATGLGL KEAKDLVESAPAALKEGVSK DDAEALKKALEEAGAEVEVK ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 12164 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Two forms of L7/L12 presence in solution due to cis/trans (1/6) isomerization of the Val7-Pro8 peptide bond.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1CTF . "Structure Of The C-Terminal Domain Of The Ribosomal Protein L7L12 FROM ESCHERICHIA COLI AT 1.7 ANGSTROMS" . . . . . 61.67 74 100.00 100.00 1.66e-37 . . . . 4429 1 2 no PDB 1RQS . "Nmr Structure Of C-Terminal Domain Of Ribosomal Protein L7 From E.Coli" . . . . . 61.67 74 100.00 100.00 1.66e-37 . . . . 4429 1 3 no PDB 1RQU . "Nmr Structure Of L7 Dimer From E.Coli" . . . . . 100.00 120 100.00 100.00 8.21e-57 . . . . 4429 1 4 no PDB 1RQV . "Spatial Model Of L7 Dimer From E.Coli With One Hinge Region In Helical State" . . . . . 100.00 120 100.00 100.00 8.21e-57 . . . . 4429 1 5 no PDB 2BCW . "Coordinates Of The N-Terminal Domain Of Ribosomal Protein L11,C-Terminal Domain Of Ribosomal Protein L7L12 AND A Portion Of The" . . . . . 56.67 68 100.00 100.00 9.65e-34 . . . . 4429 1 6 no PDB 2GYA . "Structure Of The 50s Subunit Of A Pre-Translocational E. Coli Ribosome Obtained By Fitting Atomic Models For Rna And Protein Co" . . . . . 99.17 119 100.00 100.00 4.49e-56 . . . . 4429 1 7 no PDB 2GYC . "Structure Of The 50s Subunit Of A Secm-Stalled E. Coli Ribosome Complex Obtained By Fitting Atomic Models For Rna And Protein C" . . . . . 99.17 119 100.00 100.00 4.49e-56 . . . . 4429 1 8 no PDB 2XTG . "Trna Tranlocation On The 70s Ribosome: The Pre- Translocational Translocation Intermediate Ti(Pre)" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 9 no PDB 2XUX . "Trna Translocation On The 70s Ribosome: The Post- Translocational Translocation Intermediate Ti(Post)" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 10 no PDB 3J5O . "Visualization Of Two Trnas Trapped In Transit During Ef-g-mediated Translocation (50s Subunit)" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 11 no PDB 3J5W . "Structure Of The Ribosome With Elongation Factor G Trapped In The Pre- Translocation State (pre-translocation 70s*trna*ef-g Str" . . . . . 100.00 120 100.00 100.00 8.21e-57 . . . . 4429 1 12 no PDB 3J7Z . "Structure Of The E. Coli 50s Subunit With Ermcl Nascent Chain" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 13 no PDB 3SGF . "Crystal Structure Of Release Factor Rf3 Trapped In The Gtp State On A Rotated Conformation Of The Ribosome" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 14 no PDB 3UOS . "Crystal Structure Of Release Factor Rf3 Trapped In The Gtp State On A Rotated Conformation Of The Ribosome (Without Viomycin)" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 15 no PDB 4KIX . "Control Of Ribosomal Subunit Rotation By Elongation Factor G" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 16 no DBJ BAB38332 . "50S ribosomal subunit protein L7/L12 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 17 no DBJ BAE77334 . "50S ribosomal subunit protein L7/L12 [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 18 no DBJ BAG79797 . "50S ribosomal protein L7/L12 [Escherichia coli SE11]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 19 no DBJ BAH61123 . "50S ribosomal protein L7/L12 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 121 97.50 100.00 4.83e-56 . . . . 4429 1 20 no DBJ BAI28246 . "50S ribosomal subunit protein L7/L12 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 21 no EMBL CAA23624 . "rplL (L7/L12) [Escherichia coli]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 22 no EMBL CAA37246 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 23 no EMBL CAD09488 . "50S ribosomal subunit protein L7/L12 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 24 no EMBL CAP78442 . "50S ribosomal protein L7/L12 [Escherichia coli LF82]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 25 no EMBL CAQ34332 . "50S ribosomal subunit protein L12, subunit of 50S ribosomal subunit protein L7/L12 dimer, 50S ribosomal protein complex L8, 50S" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 26 no GB AAC43084 . "50S ribosomal subunit protein L7/L12 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 27 no GB AAC76960 . "50S ribosomal subunit protein L7/L12 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 28 no GB AAF33498 . "Salmonella typhimurium 50S ribosomal protein L7 (RPLL) (SW:P18981); contains similarity to Pfam domain PF00542 (Ribosomal_L12)," . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 29 no GB AAG59182 . "50S ribosomal subunit protein L7/L12 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 30 no GB AAL22980 . "50S ribosomal subunit protein L7/L12 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 31 no PIR AF0933 . "50S ribosomal chain protein L7/L12 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 32 no PRF 0601198A . "polymerase beta,RNA" . . . . . 56.67 253 100.00 100.00 3.97e-33 . . . . 4429 1 33 no REF NP_312936 . "50S ribosomal protein L7/L12 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 34 no REF NP_418413 . "50S ribosomal subunit protein L7/L12 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 35 no REF NP_457918 . "50S ribosomal subunit protein L7/L12 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 36 no REF NP_463021 . "50S ribosomal protein L7/L12 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 37 no REF NP_709781 . "50S ribosomal protein L7/L12 [Shigella flexneri 2a str. 301]" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 38 no SP A6TGN9 . "RecName: Full=50S ribosomal protein L7/L12" . . . . . 100.00 121 97.50 100.00 4.83e-56 . . . . 4429 1 39 no SP A7ZUK0 . "RecName: Full=50S ribosomal protein L7/L12" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 40 no SP A8A785 . "RecName: Full=50S ribosomal protein L7/L12" . . . . . 100.00 121 100.00 100.00 8.84e-57 . . . . 4429 1 41 no SP A8AKU0 . "RecName: Full=50S ribosomal protein L7/L12" . . . . . 100.00 121 98.33 100.00 2.89e-56 . . . . 4429 1 42 no SP A9N0J3 . "RecName: Full=50S ribosomal protein L7/L12" . . . . . 100.00 121 97.50 99.17 1.97e-54 . . . . 4429 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E.coli ribosomal protein L7/L12' common 4429 1 L7/L12 abbreviation 4429 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 . SER . 4429 1 2 . ILE . 4429 1 3 . THR . 4429 1 4 . LYS . 4429 1 5 . ASP . 4429 1 6 . GLN . 4429 1 7 . ILE . 4429 1 8 . ILE . 4429 1 9 . GLU . 4429 1 10 . ALA . 4429 1 11 . VAL . 4429 1 12 . ALA . 4429 1 13 . ALA . 4429 1 14 . MET . 4429 1 15 . SER . 4429 1 16 . VAL . 4429 1 17 . MET . 4429 1 18 . ASP . 4429 1 19 . VAL . 4429 1 20 . VAL . 4429 1 21 . GLU . 4429 1 22 . LEU . 4429 1 23 . ILE . 4429 1 24 . SER . 4429 1 25 . ALA . 4429 1 26 . MET . 4429 1 27 . GLU . 4429 1 28 . GLU . 4429 1 29 . LYS . 4429 1 30 . PHE . 4429 1 31 . GLY . 4429 1 32 . VAL . 4429 1 33 . SER . 4429 1 34 . ALA . 4429 1 35 . ALA . 4429 1 36 . ALA . 4429 1 37 . ALA . 4429 1 38 . VAL . 4429 1 39 . ALA . 4429 1 40 . VAL . 4429 1 41 . ALA . 4429 1 42 . ALA . 4429 1 43 . GLY . 4429 1 44 . PRO . 4429 1 45 . VAL . 4429 1 46 . GLU . 4429 1 47 . ALA . 4429 1 48 . ALA . 4429 1 49 . GLU . 4429 1 50 . GLU . 4429 1 51 . LYS . 4429 1 52 . THR . 4429 1 53 . GLU . 4429 1 54 . PHE . 4429 1 55 . ASP . 4429 1 56 . VAL . 4429 1 57 . ILE . 4429 1 58 . LEU . 4429 1 59 . LYS . 4429 1 60 . ALA . 4429 1 61 . ALA . 4429 1 62 . GLY . 4429 1 63 . ALA . 4429 1 64 . ASN . 4429 1 65 . LYS . 4429 1 66 . VAL . 4429 1 67 . ALA . 4429 1 68 . VAL . 4429 1 69 . ILE . 4429 1 70 . LYS . 4429 1 71 . ALA . 4429 1 72 . VAL . 4429 1 73 . ARG . 4429 1 74 . GLY . 4429 1 75 . ALA . 4429 1 76 . THR . 4429 1 77 . GLY . 4429 1 78 . LEU . 4429 1 79 . GLY . 4429 1 80 . LEU . 4429 1 81 . LYS . 4429 1 82 . GLU . 4429 1 83 . ALA . 4429 1 84 . LYS . 4429 1 85 . ASP . 4429 1 86 . LEU . 4429 1 87 . VAL . 4429 1 88 . GLU . 4429 1 89 . SER . 4429 1 90 . ALA . 4429 1 91 . PRO . 4429 1 92 . ALA . 4429 1 93 . ALA . 4429 1 94 . LEU . 4429 1 95 . LYS . 4429 1 96 . GLU . 4429 1 97 . GLY . 4429 1 98 . VAL . 4429 1 99 . SER . 4429 1 100 . LYS . 4429 1 101 . ASP . 4429 1 102 . ASP . 4429 1 103 . ALA . 4429 1 104 . GLU . 4429 1 105 . ALA . 4429 1 106 . LEU . 4429 1 107 . LYS . 4429 1 108 . LYS . 4429 1 109 . ALA . 4429 1 110 . LEU . 4429 1 111 . GLU . 4429 1 112 . GLU . 4429 1 113 . ALA . 4429 1 114 . GLY . 4429 1 115 . ALA . 4429 1 116 . GLU . 4429 1 117 . VAL . 4429 1 118 . GLU . 4429 1 119 . VAL . 4429 1 120 . LYS . 4429 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 . SER 1 1 4429 1 . ILE 2 2 4429 1 . THR 3 3 4429 1 . LYS 4 4 4429 1 . ASP 5 5 4429 1 . GLN 6 6 4429 1 . ILE 7 7 4429 1 . ILE 8 8 4429 1 . GLU 9 9 4429 1 . ALA 10 10 4429 1 . VAL 11 11 4429 1 . ALA 12 12 4429 1 . ALA 13 13 4429 1 . MET 14 14 4429 1 . SER 15 15 4429 1 . VAL 16 16 4429 1 . MET 17 17 4429 1 . ASP 18 18 4429 1 . VAL 19 19 4429 1 . VAL 20 20 4429 1 . GLU 21 21 4429 1 . LEU 22 22 4429 1 . ILE 23 23 4429 1 . SER 24 24 4429 1 . ALA 25 25 4429 1 . MET 26 26 4429 1 . GLU 27 27 4429 1 . GLU 28 28 4429 1 . LYS 29 29 4429 1 . PHE 30 30 4429 1 . GLY 31 31 4429 1 . VAL 32 32 4429 1 . SER 33 33 4429 1 . ALA 34 34 4429 1 . ALA 35 35 4429 1 . ALA 36 36 4429 1 . ALA 37 37 4429 1 . VAL 38 38 4429 1 . ALA 39 39 4429 1 . VAL 40 40 4429 1 . ALA 41 41 4429 1 . ALA 42 42 4429 1 . GLY 43 43 4429 1 . PRO 44 44 4429 1 . VAL 45 45 4429 1 . GLU 46 46 4429 1 . ALA 47 47 4429 1 . ALA 48 48 4429 1 . GLU 49 49 4429 1 . GLU 50 50 4429 1 . LYS 51 51 4429 1 . THR 52 52 4429 1 . GLU 53 53 4429 1 . PHE 54 54 4429 1 . ASP 55 55 4429 1 . VAL 56 56 4429 1 . ILE 57 57 4429 1 . LEU 58 58 4429 1 . LYS 59 59 4429 1 . ALA 60 60 4429 1 . ALA 61 61 4429 1 . GLY 62 62 4429 1 . ALA 63 63 4429 1 . ASN 64 64 4429 1 . LYS 65 65 4429 1 . VAL 66 66 4429 1 . ALA 67 67 4429 1 . VAL 68 68 4429 1 . ILE 69 69 4429 1 . LYS 70 70 4429 1 . ALA 71 71 4429 1 . VAL 72 72 4429 1 . ARG 73 73 4429 1 . GLY 74 74 4429 1 . ALA 75 75 4429 1 . THR 76 76 4429 1 . GLY 77 77 4429 1 . LEU 78 78 4429 1 . GLY 79 79 4429 1 . LEU 80 80 4429 1 . LYS 81 81 4429 1 . GLU 82 82 4429 1 . ALA 83 83 4429 1 . LYS 84 84 4429 1 . ASP 85 85 4429 1 . LEU 86 86 4429 1 . VAL 87 87 4429 1 . GLU 88 88 4429 1 . SER 89 89 4429 1 . ALA 90 90 4429 1 . PRO 91 91 4429 1 . ALA 92 92 4429 1 . ALA 93 93 4429 1 . LEU 94 94 4429 1 . LYS 95 95 4429 1 . GLU 96 96 4429 1 . GLY 97 97 4429 1 . VAL 98 98 4429 1 . SER 99 99 4429 1 . LYS 100 100 4429 1 . ASP 101 101 4429 1 . ASP 102 102 4429 1 . ALA 103 103 4429 1 . GLU 104 104 4429 1 . ALA 105 105 4429 1 . LEU 106 106 4429 1 . LYS 107 107 4429 1 . LYS 108 108 4429 1 . ALA 109 109 4429 1 . LEU 110 110 4429 1 . GLU 111 111 4429 1 . GLU 112 112 4429 1 . ALA 113 113 4429 1 . GLY 114 114 4429 1 . ALA 115 115 4429 1 . GLU 116 116 4429 1 . VAL 117 117 4429 1 . GLU 118 118 4429 1 . VAL 119 119 4429 1 . LYS 120 120 4429 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 4429 _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 $L7_L12 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . ribosome . . . . . . . . . . . 4429 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 4429 _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 $L7_L12 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli XL1 . . . . . . . . . . . . plasmid . . . . . . . . . 4429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4429 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The protein L7/L12 degraded during 2-3 weeks due to spontaneous proteolysis in the hinge region. ; _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 'E.coli ribosomal protein L7/L12' '[U-95% 15N]' . . 1 $L7_L12 . . 1.0 . . mM . . . . 4429 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4429 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.1 n/a 4429 1 temperature 303 0.5 K 4429 1 'ionic strength' 0.15 0.01 M 4429 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4429 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 4429 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4429 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4429 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 4429 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4429 2 stop_ save_ save_FANTOM _Software.Sf_category software _Software.Sf_framecode FANTOM _Software.Entry_ID 4429 _Software.ID 3 _Software.Name FANTOM _Software.Version 4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy minimization' 4429 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_3 4429 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 4429 _Software.ID 4 _Software.Name MOLMOL _Software.Version 2.5.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualization and structure analysis' 4429 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $ref_4 4429 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4429 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian UNITY . 600 . . . 4429 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 4429 _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 '1H-15N HMQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 2 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 3 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 4 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 5 '1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 6 '1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4429 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4429 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_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_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4429 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4429 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4429 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4429 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 ; Several unassigned signals were observed in the 'random coil' region of HSQC spectrum that correspond to a minor conformations of interdomain flexible hinge region of L7 dimer. ; _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_1 . 4429 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 SER N N 15 123.3 0.1 . 1 . . . . . . . . 4429 1 2 . 1 1 1 1 SER H H 1 8.28 0.02 . 1 . . . . . . . . 4429 1 3 . 1 1 1 1 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4429 1 4 . 1 1 1 1 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 4429 1 5 . 1 1 1 1 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 4429 1 6 . 1 1 2 2 ILE N N 15 122.8 0.1 . 1 . . . . . . . . 4429 1 7 . 1 1 2 2 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 4429 1 8 . 1 1 2 2 ILE HA H 1 4.48 0.02 . 1 . . . . . . . . 4429 1 9 . 1 1 2 2 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 4429 1 10 . 1 1 2 2 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 11 . 1 1 2 2 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 12 . 1 1 2 2 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 13 . 1 1 2 2 ILE HG12 H 1 1.09 0.02 . 2 . . . . . . . . 4429 1 14 . 1 1 2 2 ILE HG13 H 1 1.45 0.02 . 2 . . . . . . . . 4429 1 15 . 1 1 2 2 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 16 . 1 1 2 2 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 17 . 1 1 2 2 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 18 . 1 1 3 3 THR N N 15 117.1 0.1 . 1 . . . . . . . . 4429 1 19 . 1 1 3 3 THR H H 1 8.20 0.02 . 1 . . . . . . . . 4429 1 20 . 1 1 3 3 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 4429 1 21 . 1 1 3 3 THR HB H 1 4.68 0.02 . 1 . . . . . . . . 4429 1 22 . 1 1 3 3 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4429 1 23 . 1 1 3 3 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4429 1 24 . 1 1 3 3 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4429 1 25 . 1 1 4 4 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 4429 1 26 . 1 1 4 4 LYS H H 1 8.92 0.02 . 1 . . . . . . . . 4429 1 27 . 1 1 4 4 LYS HA H 1 3.79 0.02 . 1 . . . . . . . . 4429 1 28 . 1 1 4 4 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4429 1 29 . 1 1 4 4 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4429 1 30 . 1 1 4 4 LYS HG2 H 1 1.33 0.02 . 2 . . . . . . . . 4429 1 31 . 1 1 4 4 LYS HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4429 1 32 . 1 1 4 4 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 33 . 1 1 4 4 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 34 . 1 1 4 4 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 4429 1 35 . 1 1 4 4 LYS HE3 H 1 2.99 0.02 . 2 . . . . . . . . 4429 1 36 . 1 1 5 5 ASP N N 15 117.7 0.1 . 1 . . . . . . . . 4429 1 37 . 1 1 5 5 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 4429 1 38 . 1 1 5 5 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 4429 1 39 . 1 1 5 5 ASP HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4429 1 40 . 1 1 5 5 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4429 1 41 . 1 1 6 6 GLN N N 15 120.8 0.1 . 1 . . . . . . . . 4429 1 42 . 1 1 6 6 GLN H H 1 7.64 0.02 . 1 . . . . . . . . 4429 1 43 . 1 1 6 6 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4429 1 44 . 1 1 6 6 GLN HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 45 . 1 1 6 6 GLN HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 46 . 1 1 6 6 GLN HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4429 1 47 . 1 1 6 6 GLN HG3 H 1 2.38 0.02 . 1 . . . . . . . . 4429 1 48 . 1 1 6 6 GLN NE2 N 15 112.4 0.1 . 1 . . . . . . . . 4429 1 49 . 1 1 6 6 GLN HE21 H 1 7.54 0.02 . 2 . . . . . . . . 4429 1 50 . 1 1 6 6 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 4429 1 51 . 1 1 7 7 ILE N N 15 122.7 0.1 . 1 . . . . . . . . 4429 1 52 . 1 1 7 7 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 4429 1 53 . 1 1 7 7 ILE HA H 1 3.44 0.02 . 1 . . . . . . . . 4429 1 54 . 1 1 7 7 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4429 1 55 . 1 1 7 7 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 4429 1 56 . 1 1 7 7 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 4429 1 57 . 1 1 7 7 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 4429 1 58 . 1 1 7 7 ILE HG12 H 1 1.85 0.02 . 1 . . . . . . . . 4429 1 59 . 1 1 7 7 ILE HG13 H 1 1.85 0.02 . 1 . . . . . . . . 4429 1 60 . 1 1 7 7 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 4429 1 61 . 1 1 7 7 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 4429 1 62 . 1 1 7 7 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 4429 1 63 . 1 1 8 8 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 4429 1 64 . 1 1 8 8 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 4429 1 65 . 1 1 8 8 ILE HA H 1 3.60 0.02 . 1 . . . . . . . . 4429 1 66 . 1 1 8 8 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 4429 1 67 . 1 1 8 8 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4429 1 68 . 1 1 8 8 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4429 1 69 . 1 1 8 8 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4429 1 70 . 1 1 8 8 ILE HG12 H 1 1.21 0.02 . 2 . . . . . . . . 4429 1 71 . 1 1 8 8 ILE HG13 H 1 1.67 0.02 . 2 . . . . . . . . 4429 1 72 . 1 1 8 8 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4429 1 73 . 1 1 8 8 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4429 1 74 . 1 1 8 8 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4429 1 75 . 1 1 9 9 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 4429 1 76 . 1 1 9 9 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 4429 1 77 . 1 1 9 9 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4429 1 78 . 1 1 9 9 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4429 1 79 . 1 1 9 9 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4429 1 80 . 1 1 9 9 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4429 1 81 . 1 1 9 9 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4429 1 82 . 1 1 10 10 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4429 1 83 . 1 1 10 10 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 4429 1 84 . 1 1 10 10 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4429 1 85 . 1 1 10 10 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4429 1 86 . 1 1 10 10 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4429 1 87 . 1 1 10 10 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4429 1 88 . 1 1 11 11 VAL N N 15 119.6 0.1 . 1 . . . . . . . . 4429 1 89 . 1 1 11 11 VAL H H 1 8.48 0.02 . 1 . . . . . . . . 4429 1 90 . 1 1 11 11 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 4429 1 91 . 1 1 11 11 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 4429 1 92 . 1 1 11 11 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 93 . 1 1 11 11 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 94 . 1 1 11 11 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 95 . 1 1 11 11 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 4429 1 96 . 1 1 11 11 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 4429 1 97 . 1 1 11 11 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 4429 1 98 . 1 1 12 12 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4429 1 99 . 1 1 12 12 ALA H H 1 7.81 0.02 . 1 . . . . . . . . 4429 1 100 . 1 1 12 12 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 4429 1 101 . 1 1 12 12 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4429 1 102 . 1 1 12 12 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4429 1 103 . 1 1 12 12 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4429 1 104 . 1 1 13 13 ALA N N 15 119.0 0.1 . 1 . . . . . . . . 4429 1 105 . 1 1 13 13 ALA H H 1 7.16 0.02 . 1 . . . . . . . . 4429 1 106 . 1 1 13 13 ALA HA H 1 4.51 0.02 . 1 . . . . . . . . 4429 1 107 . 1 1 13 13 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 108 . 1 1 13 13 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 109 . 1 1 13 13 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 110 . 1 1 14 14 MET N N 15 121.4 0.1 . 1 . . . . . . . . 4429 1 111 . 1 1 14 14 MET H H 1 7.55 0.02 . 1 . . . . . . . . 4429 1 112 . 1 1 14 14 MET HA H 1 4.44 0.02 . 1 . . . . . . . . 4429 1 113 . 1 1 14 14 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4429 1 114 . 1 1 14 14 MET HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4429 1 115 . 1 1 14 14 MET HG2 H 1 2.69 0.02 . 2 . . . . . . . . 4429 1 116 . 1 1 14 14 MET HG3 H 1 2.91 0.02 . 2 . . . . . . . . 4429 1 117 . 1 1 14 14 MET HE1 H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 118 . 1 1 14 14 MET HE2 H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 119 . 1 1 14 14 MET HE3 H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 120 . 1 1 15 15 SER N N 15 118.5 0.1 . 1 . . . . . . . . 4429 1 121 . 1 1 15 15 SER H H 1 8.96 0.02 . 1 . . . . . . . . 4429 1 122 . 1 1 15 15 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4429 1 123 . 1 1 15 15 SER HB2 H 1 4.27 0.02 . 2 . . . . . . . . 4429 1 124 . 1 1 15 15 SER HB3 H 1 4.05 0.02 . 2 . . . . . . . . 4429 1 125 . 1 1 16 16 VAL N N 15 123.0 0.1 . 1 . . . . . . . . 4429 1 126 . 1 1 16 16 VAL H H 1 8.69 0.02 . 1 . . . . . . . . 4429 1 127 . 1 1 16 16 VAL HA H 1 3.62 0.02 . 1 . . . . . . . . 4429 1 128 . 1 1 16 16 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 4429 1 129 . 1 1 16 16 VAL HG11 H 1 1.10 0.02 . 2 . . . . . . . . 4429 1 130 . 1 1 16 16 VAL HG12 H 1 1.10 0.02 . 2 . . . . . . . . 4429 1 131 . 1 1 16 16 VAL HG13 H 1 1.10 0.02 . 2 . . . . . . . . 4429 1 132 . 1 1 16 16 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 133 . 1 1 16 16 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 134 . 1 1 16 16 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 135 . 1 1 17 17 MET N N 15 118.4 0.1 . 1 . . . . . . . . 4429 1 136 . 1 1 17 17 MET H H 1 8.14 0.02 . 1 . . . . . . . . 4429 1 137 . 1 1 17 17 MET HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 138 . 1 1 17 17 MET HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4429 1 139 . 1 1 17 17 MET HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4429 1 140 . 1 1 17 17 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . 4429 1 141 . 1 1 17 17 MET HG3 H 1 2.69 0.02 . 2 . . . . . . . . 4429 1 142 . 1 1 17 17 MET HE1 H 1 2.12 0.02 . 1 . . . . . . . . 4429 1 143 . 1 1 17 17 MET HE2 H 1 2.12 0.02 . 1 . . . . . . . . 4429 1 144 . 1 1 17 17 MET HE3 H 1 2.12 0.02 . 1 . . . . . . . . 4429 1 145 . 1 1 18 18 ASP N N 15 121.8 0.1 . 1 . . . . . . . . 4429 1 146 . 1 1 18 18 ASP H H 1 7.61 0.02 . 1 . . . . . . . . 4429 1 147 . 1 1 18 18 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4429 1 148 . 1 1 18 18 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4429 1 149 . 1 1 18 18 ASP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4429 1 150 . 1 1 19 19 VAL N N 15 123.2 0.1 . 1 . . . . . . . . 4429 1 151 . 1 1 19 19 VAL H H 1 7.99 0.02 . 1 . . . . . . . . 4429 1 152 . 1 1 19 19 VAL HA H 1 3.48 0.02 . 1 . . . . . . . . 4429 1 153 . 1 1 19 19 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4429 1 154 . 1 1 19 19 VAL HG11 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 155 . 1 1 19 19 VAL HG12 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 156 . 1 1 19 19 VAL HG13 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 157 . 1 1 19 19 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 158 . 1 1 19 19 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 159 . 1 1 19 19 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 160 . 1 1 20 20 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 4429 1 161 . 1 1 20 20 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 4429 1 162 . 1 1 20 20 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 4429 1 163 . 1 1 20 20 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4429 1 164 . 1 1 20 20 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 165 . 1 1 20 20 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 166 . 1 1 20 20 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 167 . 1 1 20 20 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 4429 1 168 . 1 1 20 20 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 4429 1 169 . 1 1 20 20 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 4429 1 170 . 1 1 21 21 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 4429 1 171 . 1 1 21 21 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4429 1 172 . 1 1 21 21 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4429 1 173 . 1 1 21 21 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4429 1 174 . 1 1 21 21 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4429 1 175 . 1 1 21 21 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4429 1 176 . 1 1 21 21 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4429 1 177 . 1 1 22 22 LEU N N 15 123.7 0.1 . 1 . . . . . . . . 4429 1 178 . 1 1 22 22 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 4429 1 179 . 1 1 22 22 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4429 1 180 . 1 1 22 22 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4429 1 181 . 1 1 22 22 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4429 1 182 . 1 1 22 22 LEU HG H 1 1.70 0.02 . 1 . . . . . . . . 4429 1 183 . 1 1 22 22 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 184 . 1 1 22 22 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 185 . 1 1 22 22 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 186 . 1 1 22 22 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 187 . 1 1 22 22 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 188 . 1 1 22 22 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 189 . 1 1 23 23 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 4429 1 190 . 1 1 23 23 ILE H H 1 8.80 0.02 . 1 . . . . . . . . 4429 1 191 . 1 1 23 23 ILE HA H 1 3.63 0.02 . 1 . . . . . . . . 4429 1 192 . 1 1 23 23 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 193 . 1 1 23 23 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 194 . 1 1 23 23 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 195 . 1 1 23 23 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 196 . 1 1 23 23 ILE HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4429 1 197 . 1 1 23 23 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 4429 1 198 . 1 1 23 23 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 199 . 1 1 23 23 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 200 . 1 1 23 23 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 201 . 1 1 24 24 SER N N 15 116.2 0.1 . 1 . . . . . . . . 4429 1 202 . 1 1 24 24 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4429 1 203 . 1 1 24 24 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 4429 1 204 . 1 1 24 24 SER HB2 H 1 3.98 0.02 . 2 . . . . . . . . 4429 1 205 . 1 1 24 24 SER HB3 H 1 4.02 0.02 . 2 . . . . . . . . 4429 1 206 . 1 1 25 25 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 4429 1 207 . 1 1 25 25 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4429 1 208 . 1 1 25 25 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 4429 1 209 . 1 1 25 25 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 4429 1 210 . 1 1 25 25 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 4429 1 211 . 1 1 25 25 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 4429 1 212 . 1 1 26 26 MET N N 15 119.9 0.1 . 1 . . . . . . . . 4429 1 213 . 1 1 26 26 MET H H 1 8.50 0.02 . 1 . . . . . . . . 4429 1 214 . 1 1 26 26 MET HA H 1 4.00 0.02 . 1 . . . . . . . . 4429 1 215 . 1 1 26 26 MET HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4429 1 216 . 1 1 26 26 MET HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4429 1 217 . 1 1 26 26 MET HG2 H 1 2.93 0.02 . 2 . . . . . . . . 4429 1 218 . 1 1 26 26 MET HG3 H 1 2.40 0.02 . 2 . . . . . . . . 4429 1 219 . 1 1 26 26 MET HE1 H 1 1.94 0.02 . 1 . . . . . . . . 4429 1 220 . 1 1 26 26 MET HE2 H 1 1.94 0.02 . 1 . . . . . . . . 4429 1 221 . 1 1 26 26 MET HE3 H 1 1.94 0.02 . 1 . . . . . . . . 4429 1 222 . 1 1 27 27 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 4429 1 223 . 1 1 27 27 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 4429 1 224 . 1 1 27 27 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4429 1 225 . 1 1 27 27 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4429 1 226 . 1 1 27 27 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4429 1 227 . 1 1 27 27 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4429 1 228 . 1 1 27 27 GLU HG3 H 1 2.60 0.02 . 2 . . . . . . . . 4429 1 229 . 1 1 28 28 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 4429 1 230 . 1 1 28 28 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 4429 1 231 . 1 1 28 28 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4429 1 232 . 1 1 28 28 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4429 1 233 . 1 1 28 28 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4429 1 234 . 1 1 28 28 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4429 1 235 . 1 1 28 28 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4429 1 236 . 1 1 29 29 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 4429 1 237 . 1 1 29 29 LYS H H 1 7.77 0.02 . 1 . . . . . . . . 4429 1 238 . 1 1 29 29 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 4429 1 239 . 1 1 29 29 LYS HB2 H 1 1.58 0.02 . 2 . . . . . . . . 4429 1 240 . 1 1 29 29 LYS HB3 H 1 1.33 0.02 . 2 . . . . . . . . 4429 1 241 . 1 1 29 29 LYS HG2 H 1 1.00 0.02 . 2 . . . . . . . . 4429 1 242 . 1 1 29 29 LYS HG3 H 1 1.15 0.02 . 2 . . . . . . . . 4429 1 243 . 1 1 29 29 LYS HD2 H 1 1.46 0.02 . 1 . . . . . . . . 4429 1 244 . 1 1 29 29 LYS HD3 H 1 1.46 0.02 . 1 . . . . . . . . 4429 1 245 . 1 1 29 29 LYS HE2 H 1 2.83 0.02 . 2 . . . . . . . . 4429 1 246 . 1 1 29 29 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 4429 1 247 . 1 1 30 30 PHE N N 15 116.5 0.1 . 1 . . . . . . . . 4429 1 248 . 1 1 30 30 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 4429 1 249 . 1 1 30 30 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 4429 1 250 . 1 1 30 30 PHE HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4429 1 251 . 1 1 30 30 PHE HB3 H 1 3.35 0.02 . 2 . . . . . . . . 4429 1 252 . 1 1 30 30 PHE HD1 H 1 7.36 0.02 . 1 . . . . . . . . 4429 1 253 . 1 1 30 30 PHE HD2 H 1 7.36 0.02 . 1 . . . . . . . . 4429 1 254 . 1 1 30 30 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 4429 1 255 . 1 1 30 30 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 4429 1 256 . 1 1 30 30 PHE HZ H 1 7.33 0.02 . 1 . . . . . . . . 4429 1 257 . 1 1 31 31 GLY N N 15 110.5 0.1 . 1 . . . . . . . . 4429 1 258 . 1 1 31 31 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4429 1 259 . 1 1 31 31 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 4429 1 260 . 1 1 31 31 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 4429 1 261 . 1 1 32 32 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 4429 1 262 . 1 1 32 32 VAL H H 1 7.74 0.02 . 1 . . . . . . . . 4429 1 263 . 1 1 32 32 VAL HA H 1 4.16 0.02 . 1 . . . . . . . . 4429 1 264 . 1 1 32 32 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4429 1 265 . 1 1 32 32 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 266 . 1 1 32 32 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 267 . 1 1 32 32 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 268 . 1 1 32 32 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 269 . 1 1 32 32 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 270 . 1 1 32 32 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4429 1 271 . 1 1 33 33 SER N N 15 119.2 0.1 . 1 . . . . . . . . 4429 1 272 . 1 1 33 33 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4429 1 273 . 1 1 33 33 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 4429 1 274 . 1 1 33 33 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 4429 1 275 . 1 1 33 33 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 4429 1 276 . 1 1 34 34 ALA N N 15 127.7 0.1 . 1 . . . . . . . . 4429 1 277 . 1 1 34 34 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 4429 1 278 . 1 1 34 34 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 279 . 1 1 34 34 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4429 1 280 . 1 1 34 34 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4429 1 281 . 1 1 34 34 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4429 1 282 . 1 1 35 35 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 4429 1 283 . 1 1 35 35 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4429 1 284 . 1 1 35 35 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4429 1 285 . 1 1 35 35 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 286 . 1 1 35 35 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 287 . 1 1 35 35 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 288 . 1 1 36 36 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 4429 1 289 . 1 1 36 36 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 4429 1 290 . 1 1 36 36 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 291 . 1 1 36 36 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 292 . 1 1 36 36 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 293 . 1 1 36 36 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 294 . 1 1 37 37 ALA N N 15 124.1 0.1 . 1 . . . . . . . . 4429 1 295 . 1 1 37 37 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 4429 1 296 . 1 1 37 37 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4429 1 297 . 1 1 37 37 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 298 . 1 1 37 37 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 299 . 1 1 37 37 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 300 . 1 1 38 38 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 4429 1 301 . 1 1 38 38 VAL H H 1 7.88 0.02 . 1 . . . . . . . . 4429 1 302 . 1 1 38 38 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 4429 1 303 . 1 1 38 38 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4429 1 304 . 1 1 38 38 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 305 . 1 1 38 38 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 306 . 1 1 38 38 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 307 . 1 1 38 38 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 308 . 1 1 38 38 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 309 . 1 1 38 38 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 310 . 1 1 39 39 ALA N N 15 128.7 0.1 . 1 . . . . . . . . 4429 1 311 . 1 1 39 39 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 4429 1 312 . 1 1 39 39 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4429 1 313 . 1 1 39 39 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 314 . 1 1 39 39 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 315 . 1 1 39 39 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 316 . 1 1 40 40 VAL N N 15 121.0 0.1 . 1 . . . . . . . . 4429 1 317 . 1 1 40 40 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 4429 1 318 . 1 1 40 40 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 4429 1 319 . 1 1 40 40 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 4429 1 320 . 1 1 40 40 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 321 . 1 1 40 40 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 322 . 1 1 40 40 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 323 . 1 1 40 40 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 324 . 1 1 40 40 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 325 . 1 1 40 40 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 326 . 1 1 41 41 ALA N N 15 129.4 0.1 . 1 . . . . . . . . 4429 1 327 . 1 1 41 41 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 4429 1 328 . 1 1 41 41 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 4429 1 329 . 1 1 41 41 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 330 . 1 1 41 41 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 331 . 1 1 41 41 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 332 . 1 1 42 42 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 4429 1 333 . 1 1 42 42 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4429 1 334 . 1 1 42 42 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 4429 1 335 . 1 1 42 42 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 336 . 1 1 42 42 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 337 . 1 1 42 42 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4429 1 338 . 1 1 43 43 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 4429 1 339 . 1 1 43 43 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 4429 1 340 . 1 1 43 43 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 4429 1 341 . 1 1 43 43 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 4429 1 342 . 1 1 44 44 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . 4429 1 343 . 1 1 44 44 PRO HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4429 1 344 . 1 1 44 44 PRO HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4429 1 345 . 1 1 44 44 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 4429 1 346 . 1 1 44 44 PRO HG3 H 1 2.14 0.02 . 2 . . . . . . . . 4429 1 347 . 1 1 44 44 PRO HD2 H 1 3.63 0.02 . 1 . . . . . . . . 4429 1 348 . 1 1 44 44 PRO HD3 H 1 3.63 0.02 . 1 . . . . . . . . 4429 1 349 . 1 1 45 45 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 4429 1 350 . 1 1 45 45 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 4429 1 351 . 1 1 45 45 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 4429 1 352 . 1 1 45 45 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4429 1 353 . 1 1 45 45 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 354 . 1 1 45 45 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 355 . 1 1 45 45 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 356 . 1 1 45 45 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 357 . 1 1 45 45 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 358 . 1 1 45 45 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4429 1 359 . 1 1 46 46 GLU N N 15 126.7 0.1 . 1 . . . . . . . . 4429 1 360 . 1 1 46 46 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 4429 1 361 . 1 1 46 46 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4429 1 362 . 1 1 46 46 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4429 1 363 . 1 1 46 46 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4429 1 364 . 1 1 46 46 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4429 1 365 . 1 1 46 46 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4429 1 366 . 1 1 47 47 ALA N N 15 127.5 0.1 . 1 . . . . . . . . 4429 1 367 . 1 1 47 47 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 4429 1 368 . 1 1 47 47 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4429 1 369 . 1 1 47 47 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 370 . 1 1 47 47 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 371 . 1 1 47 47 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4429 1 372 . 1 1 48 48 ALA N N 15 125.6 0.1 . 1 . . . . . . . . 4429 1 373 . 1 1 48 48 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4429 1 374 . 1 1 48 48 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 4429 1 375 . 1 1 48 48 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 376 . 1 1 48 48 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 377 . 1 1 48 48 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 378 . 1 1 49 49 GLU N N 15 121.9 0.1 . 1 . . . . . . . . 4429 1 379 . 1 1 49 49 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 4429 1 380 . 1 1 49 49 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4429 1 381 . 1 1 49 49 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4429 1 382 . 1 1 49 49 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4429 1 383 . 1 1 49 49 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4429 1 384 . 1 1 49 49 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4429 1 385 . 1 1 50 50 GLU N N 15 124.3 0.1 . 1 . . . . . . . . 4429 1 386 . 1 1 50 50 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4429 1 387 . 1 1 50 50 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4429 1 388 . 1 1 50 50 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4429 1 389 . 1 1 50 50 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4429 1 390 . 1 1 50 50 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4429 1 391 . 1 1 50 50 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4429 1 392 . 1 1 51 51 LYS N N 15 125.9 0.1 . 1 . . . . . . . . 4429 1 393 . 1 1 51 51 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 4429 1 394 . 1 1 51 51 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4429 1 395 . 1 1 51 51 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4429 1 396 . 1 1 51 51 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4429 1 397 . 1 1 51 51 LYS HG2 H 1 1.17 0.02 . 2 . . . . . . . . 4429 1 398 . 1 1 51 51 LYS HG3 H 1 1.03 0.02 . 2 . . . . . . . . 4429 1 399 . 1 1 51 51 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 4429 1 400 . 1 1 51 51 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 4429 1 401 . 1 1 51 51 LYS HE2 H 1 2.69 0.02 . 2 . . . . . . . . 4429 1 402 . 1 1 51 51 LYS HE3 H 1 2.84 0.02 . 2 . . . . . . . . 4429 1 403 . 1 1 52 52 THR N N 15 113.9 0.1 . 1 . . . . . . . . 4429 1 404 . 1 1 52 52 THR H H 1 8.40 0.02 . 1 . . . . . . . . 4429 1 405 . 1 1 52 52 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 4429 1 406 . 1 1 52 52 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 4429 1 407 . 1 1 52 52 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4429 1 408 . 1 1 52 52 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4429 1 409 . 1 1 52 52 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4429 1 410 . 1 1 52 52 THR HG1 H 1 4.34 0.02 . 1 . . . . . . . . 4429 1 411 . 1 1 53 53 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 4429 1 412 . 1 1 53 53 GLU H H 1 7.11 0.02 . 1 . . . . . . . . 4429 1 413 . 1 1 53 53 GLU HA H 1 4.68 0.02 . 1 . . . . . . . . 4429 1 414 . 1 1 53 53 GLU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4429 1 415 . 1 1 53 53 GLU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4429 1 416 . 1 1 53 53 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 4429 1 417 . 1 1 53 53 GLU HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4429 1 418 . 1 1 54 54 PHE N N 15 121.9 0.1 . 1 . . . . . . . . 4429 1 419 . 1 1 54 54 PHE H H 1 9.57 0.02 . 1 . . . . . . . . 4429 1 420 . 1 1 54 54 PHE HA H 1 4.65 0.02 . 1 . . . . . . . . 4429 1 421 . 1 1 54 54 PHE HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4429 1 422 . 1 1 54 54 PHE HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4429 1 423 . 1 1 54 54 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 4429 1 424 . 1 1 54 54 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 4429 1 425 . 1 1 54 54 PHE HE1 H 1 7.18 0.02 . 1 . . . . . . . . 4429 1 426 . 1 1 54 54 PHE HE2 H 1 7.18 0.02 . 1 . . . . . . . . 4429 1 427 . 1 1 54 54 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . 4429 1 428 . 1 1 55 55 ASP N N 15 121.6 0.1 . 1 . . . . . . . . 4429 1 429 . 1 1 55 55 ASP H H 1 9.46 0.02 . 1 . . . . . . . . 4429 1 430 . 1 1 55 55 ASP HA H 1 5.42 0.02 . 1 . . . . . . . . 4429 1 431 . 1 1 55 55 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4429 1 432 . 1 1 55 55 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4429 1 433 . 1 1 56 56 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 4429 1 434 . 1 1 56 56 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4429 1 435 . 1 1 56 56 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 4429 1 436 . 1 1 56 56 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 4429 1 437 . 1 1 56 56 VAL HG11 H 1 0.73 0.02 . 2 . . . . . . . . 4429 1 438 . 1 1 56 56 VAL HG12 H 1 0.73 0.02 . 2 . . . . . . . . 4429 1 439 . 1 1 56 56 VAL HG13 H 1 0.73 0.02 . 2 . . . . . . . . 4429 1 440 . 1 1 56 56 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 441 . 1 1 56 56 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 442 . 1 1 56 56 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 4429 1 443 . 1 1 57 57 ILE N N 15 131.0 0.1 . 1 . . . . . . . . 4429 1 444 . 1 1 57 57 ILE H H 1 9.56 0.02 . 1 . . . . . . . . 4429 1 445 . 1 1 57 57 ILE HA H 1 4.39 0.02 . 1 . . . . . . . . 4429 1 446 . 1 1 57 57 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4429 1 447 . 1 1 57 57 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 4429 1 448 . 1 1 57 57 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 4429 1 449 . 1 1 57 57 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 4429 1 450 . 1 1 57 57 ILE HG12 H 1 1.32 0.02 . 2 . . . . . . . . 4429 1 451 . 1 1 57 57 ILE HG13 H 1 1.67 0.02 . 2 . . . . . . . . 4429 1 452 . 1 1 57 57 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 4429 1 453 . 1 1 57 57 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 4429 1 454 . 1 1 57 57 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 4429 1 455 . 1 1 58 58 LEU N N 15 129.9 0.1 . 1 . . . . . . . . 4429 1 456 . 1 1 58 58 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 4429 1 457 . 1 1 58 58 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 4429 1 458 . 1 1 58 58 LEU HB2 H 1 1.11 0.02 . 2 . . . . . . . . 4429 1 459 . 1 1 58 58 LEU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4429 1 460 . 1 1 58 58 LEU HG H 1 1.33 0.02 . 1 . . . . . . . . 4429 1 461 . 1 1 58 58 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 462 . 1 1 58 58 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 463 . 1 1 58 58 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 464 . 1 1 58 58 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 465 . 1 1 58 58 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 466 . 1 1 58 58 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 4429 1 467 . 1 1 59 59 LYS N N 15 131.2 0.1 . 1 . . . . . . . . 4429 1 468 . 1 1 59 59 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4429 1 469 . 1 1 59 59 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4429 1 470 . 1 1 59 59 LYS HB2 H 1 1.46 0.02 . 2 . . . . . . . . 4429 1 471 . 1 1 59 59 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4429 1 472 . 1 1 59 59 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 4429 1 473 . 1 1 59 59 LYS HG3 H 1 1.44 0.02 . 2 . . . . . . . . 4429 1 474 . 1 1 60 60 ALA N N 15 118.5 0.1 . 1 . . . . . . . . 4429 1 475 . 1 1 60 60 ALA H H 1 7.73 0.02 . 1 . . . . . . . . 4429 1 476 . 1 1 60 60 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 4429 1 477 . 1 1 60 60 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4429 1 478 . 1 1 60 60 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4429 1 479 . 1 1 60 60 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4429 1 480 . 1 1 61 61 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 4429 1 481 . 1 1 61 61 ALA H H 1 9.21 0.02 . 1 . . . . . . . . 4429 1 482 . 1 1 61 61 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 4429 1 483 . 1 1 61 61 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 484 . 1 1 61 61 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 485 . 1 1 61 61 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4429 1 486 . 1 1 62 62 GLY N N 15 103.1 0.1 . 1 . . . . . . . . 4429 1 487 . 1 1 62 62 GLY H H 1 7.85 0.02 . 1 . . . . . . . . 4429 1 488 . 1 1 62 62 GLY HA2 H 1 3.68 0.02 . 2 . . . . . . . . 4429 1 489 . 1 1 62 62 GLY HA3 H 1 4.19 0.02 . 2 . . . . . . . . 4429 1 490 . 1 1 63 63 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 4429 1 491 . 1 1 63 63 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 4429 1 492 . 1 1 63 63 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 493 . 1 1 63 63 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 494 . 1 1 63 63 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 495 . 1 1 63 63 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 496 . 1 1 64 64 ASN N N 15 122.9 0.1 . 1 . . . . . . . . 4429 1 497 . 1 1 64 64 ASN H H 1 9.64 0.02 . 1 . . . . . . . . 4429 1 498 . 1 1 64 64 ASN HA H 1 5.04 0.02 . 1 . . . . . . . . 4429 1 499 . 1 1 64 64 ASN HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4429 1 500 . 1 1 64 64 ASN HB3 H 1 3.36 0.02 . 2 . . . . . . . . 4429 1 501 . 1 1 64 64 ASN ND2 N 15 113.8 0.1 . 1 . . . . . . . . 4429 1 502 . 1 1 64 64 ASN HD21 H 1 7.54 0.02 . 2 . . . . . . . . 4429 1 503 . 1 1 64 64 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . 4429 1 504 . 1 1 65 65 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 4429 1 505 . 1 1 65 65 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4429 1 506 . 1 1 65 65 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . 4429 1 507 . 1 1 65 65 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4429 1 508 . 1 1 65 65 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4429 1 509 . 1 1 65 65 LYS HG2 H 1 1.34 0.02 . 2 . . . . . . . . 4429 1 510 . 1 1 65 65 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4429 1 511 . 1 1 65 65 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 512 . 1 1 65 65 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 513 . 1 1 65 65 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4429 1 514 . 1 1 65 65 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4429 1 515 . 1 1 66 66 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 4429 1 516 . 1 1 66 66 VAL H H 1 8.24 0.02 . 1 . . . . . . . . 4429 1 517 . 1 1 66 66 VAL HA H 1 3.59 0.02 . 1 . . . . . . . . 4429 1 518 . 1 1 66 66 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 4429 1 519 . 1 1 66 66 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 4429 1 520 . 1 1 66 66 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 4429 1 521 . 1 1 66 66 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4429 1 522 . 1 1 66 66 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 4429 1 523 . 1 1 66 66 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 4429 1 524 . 1 1 66 66 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 4429 1 525 . 1 1 67 67 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 4429 1 526 . 1 1 67 67 ALA H H 1 7.37 0.02 . 1 . . . . . . . . 4429 1 527 . 1 1 67 67 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4429 1 528 . 1 1 67 67 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4429 1 529 . 1 1 67 67 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4429 1 530 . 1 1 67 67 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4429 1 531 . 1 1 68 68 VAL N N 15 122.4 0.1 . 1 . . . . . . . . 4429 1 532 . 1 1 68 68 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 4429 1 533 . 1 1 68 68 VAL HA H 1 3.47 0.02 . 1 . . . . . . . . 4429 1 534 . 1 1 68 68 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 4429 1 535 . 1 1 68 68 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 4429 1 536 . 1 1 68 68 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 4429 1 537 . 1 1 68 68 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 4429 1 538 . 1 1 68 68 VAL HG21 H 1 1.23 0.02 . 2 . . . . . . . . 4429 1 539 . 1 1 68 68 VAL HG22 H 1 1.23 0.02 . 2 . . . . . . . . 4429 1 540 . 1 1 68 68 VAL HG23 H 1 1.23 0.02 . 2 . . . . . . . . 4429 1 541 . 1 1 69 69 ILE N N 15 123.1 0.1 . 1 . . . . . . . . 4429 1 542 . 1 1 69 69 ILE H H 1 8.79 0.02 . 1 . . . . . . . . 4429 1 543 . 1 1 69 69 ILE HA H 1 3.34 0.02 . 1 . . . . . . . . 4429 1 544 . 1 1 69 69 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4429 1 545 . 1 1 69 69 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 546 . 1 1 69 69 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 547 . 1 1 69 69 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4429 1 548 . 1 1 69 69 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 549 . 1 1 69 69 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 550 . 1 1 69 69 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4429 1 551 . 1 1 70 70 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 4429 1 552 . 1 1 70 70 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 4429 1 553 . 1 1 70 70 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 4429 1 554 . 1 1 70 70 LYS HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4429 1 555 . 1 1 70 70 LYS HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4429 1 556 . 1 1 70 70 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4429 1 557 . 1 1 70 70 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . 4429 1 558 . 1 1 70 70 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4429 1 559 . 1 1 70 70 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4429 1 560 . 1 1 70 70 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4429 1 561 . 1 1 70 70 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4429 1 562 . 1 1 71 71 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 4429 1 563 . 1 1 71 71 ALA H H 1 7.98 0.02 . 1 . . . . . . . . 4429 1 564 . 1 1 71 71 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 565 . 1 1 71 71 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 566 . 1 1 71 71 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 567 . 1 1 71 71 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4429 1 568 . 1 1 72 72 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 4429 1 569 . 1 1 72 72 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 4429 1 570 . 1 1 72 72 VAL HA H 1 3.44 0.02 . 1 . . . . . . . . 4429 1 571 . 1 1 72 72 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 4429 1 572 . 1 1 72 72 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 573 . 1 1 72 72 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 574 . 1 1 72 72 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4429 1 575 . 1 1 72 72 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 576 . 1 1 72 72 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 577 . 1 1 72 72 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 4429 1 578 . 1 1 73 73 ARG N N 15 124.9 0.1 . 1 . . . . . . . . 4429 1 579 . 1 1 73 73 ARG H H 1 8.82 0.02 . 1 . . . . . . . . 4429 1 580 . 1 1 73 73 ARG HA H 1 3.86 0.02 . 1 . . . . . . . . 4429 1 581 . 1 1 73 73 ARG HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4429 1 582 . 1 1 73 73 ARG HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4429 1 583 . 1 1 73 73 ARG HG2 H 1 1.79 0.02 . 1 . . . . . . . . 4429 1 584 . 1 1 73 73 ARG HG3 H 1 1.79 0.02 . 1 . . . . . . . . 4429 1 585 . 1 1 73 73 ARG HD2 H 1 2.97 0.02 . 2 . . . . . . . . 4429 1 586 . 1 1 73 73 ARG HD3 H 1 3.11 0.02 . 2 . . . . . . . . 4429 1 587 . 1 1 74 74 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 4429 1 588 . 1 1 74 74 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4429 1 589 . 1 1 74 74 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 4429 1 590 . 1 1 74 74 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4429 1 591 . 1 1 75 75 ALA N N 15 121.0 0.1 . 1 . . . . . . . . 4429 1 592 . 1 1 75 75 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 4429 1 593 . 1 1 75 75 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 4429 1 594 . 1 1 75 75 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4429 1 595 . 1 1 75 75 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4429 1 596 . 1 1 75 75 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4429 1 597 . 1 1 76 76 THR N N 15 105.0 0.1 . 1 . . . . . . . . 4429 1 598 . 1 1 76 76 THR H H 1 7.71 0.02 . 1 . . . . . . . . 4429 1 599 . 1 1 76 76 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 4429 1 600 . 1 1 76 76 THR HB H 1 4.29 0.02 . 1 . . . . . . . . 4429 1 601 . 1 1 76 76 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 602 . 1 1 76 76 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 603 . 1 1 76 76 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 604 . 1 1 76 76 THR HG1 H 1 4.49 0.02 . 1 . . . . . . . . 4429 1 605 . 1 1 77 77 GLY N N 15 113.4 0.1 . 1 . . . . . . . . 4429 1 606 . 1 1 77 77 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4429 1 607 . 1 1 77 77 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 4429 1 608 . 1 1 77 77 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 4429 1 609 . 1 1 78 78 LEU N N 15 122.4 0.1 . 1 . . . . . . . . 4429 1 610 . 1 1 78 78 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 4429 1 611 . 1 1 78 78 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4429 1 612 . 1 1 78 78 LEU HB2 H 1 1.42 0.02 . 2 . . . . . . . . 4429 1 613 . 1 1 78 78 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 4429 1 614 . 1 1 78 78 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4429 1 615 . 1 1 78 78 LEU HD11 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 616 . 1 1 78 78 LEU HD12 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 617 . 1 1 78 78 LEU HD13 H 1 0.75 0.02 . 2 . . . . . . . . 4429 1 618 . 1 1 78 78 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 4429 1 619 . 1 1 78 78 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 4429 1 620 . 1 1 78 78 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 4429 1 621 . 1 1 79 79 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 4429 1 622 . 1 1 79 79 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4429 1 623 . 1 1 79 79 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 4429 1 624 . 1 1 79 79 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 4429 1 625 . 1 1 80 80 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4429 1 626 . 1 1 80 80 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 4429 1 627 . 1 1 80 80 LEU HA H 1 3.78 0.02 . 1 . . . . . . . . 4429 1 628 . 1 1 80 80 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 4429 1 629 . 1 1 80 80 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4429 1 630 . 1 1 80 80 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 4429 1 631 . 1 1 80 80 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 632 . 1 1 80 80 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 633 . 1 1 80 80 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 634 . 1 1 80 80 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 635 . 1 1 80 80 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 636 . 1 1 80 80 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 4429 1 637 . 1 1 81 81 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 4429 1 638 . 1 1 81 81 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 4429 1 639 . 1 1 81 81 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 4429 1 640 . 1 1 81 81 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4429 1 641 . 1 1 81 81 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4429 1 642 . 1 1 81 81 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 4429 1 643 . 1 1 81 81 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4429 1 644 . 1 1 81 81 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . 4429 1 645 . 1 1 82 82 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 4429 1 646 . 1 1 82 82 GLU H H 1 8.60 0.02 . 1 . . . . . . . . 4429 1 647 . 1 1 82 82 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 4429 1 648 . 1 1 82 82 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4429 1 649 . 1 1 82 82 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4429 1 650 . 1 1 82 82 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 4429 1 651 . 1 1 82 82 GLU HG3 H 1 1.90 0.02 . 2 . . . . . . . . 4429 1 652 . 1 1 83 83 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 4429 1 653 . 1 1 83 83 ALA H H 1 8.79 0.02 . 1 . . . . . . . . 4429 1 654 . 1 1 83 83 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 4429 1 655 . 1 1 83 83 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 656 . 1 1 83 83 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 657 . 1 1 83 83 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 658 . 1 1 84 84 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 4429 1 659 . 1 1 84 84 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4429 1 660 . 1 1 84 84 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 4429 1 661 . 1 1 84 84 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4429 1 662 . 1 1 84 84 LYS HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4429 1 663 . 1 1 84 84 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 664 . 1 1 84 84 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 4429 1 665 . 1 1 84 84 LYS HD2 H 1 1.65 0.02 . 2 . . . . . . . . 4429 1 666 . 1 1 84 84 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 4429 1 667 . 1 1 84 84 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4429 1 668 . 1 1 84 84 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4429 1 669 . 1 1 85 85 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 4429 1 670 . 1 1 85 85 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 4429 1 671 . 1 1 85 85 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 4429 1 672 . 1 1 85 85 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4429 1 673 . 1 1 85 85 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4429 1 674 . 1 1 86 86 LEU N N 15 123.4 0.1 . 1 . . . . . . . . 4429 1 675 . 1 1 86 86 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 4429 1 676 . 1 1 86 86 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 4429 1 677 . 1 1 86 86 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4429 1 678 . 1 1 86 86 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4429 1 679 . 1 1 86 86 LEU HG H 1 1.51 0.02 . 1 . . . . . . . . 4429 1 680 . 1 1 86 86 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 681 . 1 1 86 86 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 682 . 1 1 86 86 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 683 . 1 1 86 86 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 684 . 1 1 86 86 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 685 . 1 1 86 86 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4429 1 686 . 1 1 87 87 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4429 1 687 . 1 1 87 87 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 4429 1 688 . 1 1 87 87 VAL HA H 1 3.38 0.02 . 1 . . . . . . . . 4429 1 689 . 1 1 87 87 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4429 1 690 . 1 1 87 87 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 691 . 1 1 87 87 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 692 . 1 1 87 87 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 4429 1 693 . 1 1 87 87 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 4429 1 694 . 1 1 87 87 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 4429 1 695 . 1 1 87 87 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 4429 1 696 . 1 1 88 88 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 4429 1 697 . 1 1 88 88 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 4429 1 698 . 1 1 88 88 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4429 1 699 . 1 1 88 88 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4429 1 700 . 1 1 88 88 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4429 1 701 . 1 1 88 88 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 4429 1 702 . 1 1 88 88 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4429 1 703 . 1 1 89 89 SER N N 15 116.6 0.1 . 1 . . . . . . . . 4429 1 704 . 1 1 89 89 SER H H 1 7.64 0.02 . 1 . . . . . . . . 4429 1 705 . 1 1 89 89 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 4429 1 706 . 1 1 89 89 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 4429 1 707 . 1 1 89 89 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 4429 1 708 . 1 1 89 89 SER HG H 1 4.76 0.02 . 1 . . . . . . . . 4429 1 709 . 1 1 90 90 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 4429 1 710 . 1 1 90 90 ALA H H 1 6.87 0.02 . 1 . . . . . . . . 4429 1 711 . 1 1 90 90 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 4429 1 712 . 1 1 90 90 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4429 1 713 . 1 1 90 90 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4429 1 714 . 1 1 90 90 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4429 1 715 . 1 1 91 91 PRO HA H 1 5.30 0.02 . 1 . . . . . . . . 4429 1 716 . 1 1 91 91 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4429 1 717 . 1 1 91 91 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4429 1 718 . 1 1 91 91 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 4429 1 719 . 1 1 91 91 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 4429 1 720 . 1 1 91 91 PRO HD2 H 1 3.67 0.02 . 2 . . . . . . . . 4429 1 721 . 1 1 92 92 ALA N N 15 127.1 0.1 . 1 . . . . . . . . 4429 1 722 . 1 1 92 92 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 4429 1 723 . 1 1 92 92 ALA HA H 1 4.61 0.02 . 1 . . . . . . . . 4429 1 724 . 1 1 92 92 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 725 . 1 1 92 92 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 726 . 1 1 92 92 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 4429 1 727 . 1 1 93 93 ALA N N 15 125.9 0.1 . 1 . . . . . . . . 4429 1 728 . 1 1 93 93 ALA H H 1 8.79 0.02 . 1 . . . . . . . . 4429 1 729 . 1 1 93 93 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 4429 1 730 . 1 1 93 93 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 731 . 1 1 93 93 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 732 . 1 1 93 93 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 733 . 1 1 94 94 LEU N N 15 124.3 0.1 . 1 . . . . . . . . 4429 1 734 . 1 1 94 94 LEU H H 1 7.33 0.02 . 1 . . . . . . . . 4429 1 735 . 1 1 94 94 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4429 1 736 . 1 1 94 94 LEU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 4429 1 737 . 1 1 94 94 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4429 1 738 . 1 1 94 94 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 4429 1 739 . 1 1 94 94 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4429 1 740 . 1 1 94 94 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4429 1 741 . 1 1 94 94 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4429 1 742 . 1 1 94 94 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4429 1 743 . 1 1 94 94 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4429 1 744 . 1 1 94 94 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4429 1 745 . 1 1 95 95 LYS N N 15 124.3 0.1 . 1 . . . . . . . . 4429 1 746 . 1 1 95 95 LYS H H 1 9.03 0.02 . 1 . . . . . . . . 4429 1 747 . 1 1 95 95 LYS HA H 1 4.56 0.02 . 1 . . . . . . . . 4429 1 748 . 1 1 95 95 LYS HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4429 1 749 . 1 1 95 95 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4429 1 750 . 1 1 96 96 GLU N N 15 123.5 0.1 . 1 . . . . . . . . 4429 1 751 . 1 1 96 96 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 4429 1 752 . 1 1 96 96 GLU HA H 1 5.01 0.02 . 1 . . . . . . . . 4429 1 753 . 1 1 96 96 GLU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4429 1 754 . 1 1 96 96 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4429 1 755 . 1 1 96 96 GLU HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4429 1 756 . 1 1 96 96 GLU HG3 H 1 1.99 0.02 . 2 . . . . . . . . 4429 1 757 . 1 1 97 97 GLY N N 15 115.4 0.1 . 1 . . . . . . . . 4429 1 758 . 1 1 97 97 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4429 1 759 . 1 1 97 97 GLY HA2 H 1 3.69 0.02 . 2 . . . . . . . . 4429 1 760 . 1 1 97 97 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 4429 1 761 . 1 1 98 98 VAL N N 15 116.1 0.1 . 1 . . . . . . . . 4429 1 762 . 1 1 98 98 VAL H H 1 9.23 0.02 . 1 . . . . . . . . 4429 1 763 . 1 1 98 98 VAL HA H 1 4.80 0.02 . 1 . . . . . . . . 4429 1 764 . 1 1 98 98 VAL HB H 1 2.54 0.02 . 1 . . . . . . . . 4429 1 765 . 1 1 98 98 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 4429 1 766 . 1 1 98 98 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 4429 1 767 . 1 1 98 98 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 4429 1 768 . 1 1 98 98 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 769 . 1 1 98 98 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 770 . 1 1 98 98 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 4429 1 771 . 1 1 99 99 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4429 1 772 . 1 1 99 99 SER H H 1 8.96 0.02 . 1 . . . . . . . . 4429 1 773 . 1 1 99 99 SER HA H 1 4.73 0.02 . 1 . . . . . . . . 4429 1 774 . 1 1 99 99 SER HB2 H 1 4.45 0.02 . 2 . . . . . . . . 4429 1 775 . 1 1 99 99 SER HB3 H 1 4.18 0.02 . 2 . . . . . . . . 4429 1 776 . 1 1 99 99 SER HG H 1 4.75 0.02 . 1 . . . . . . . . 4429 1 777 . 1 1 100 100 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 4429 1 778 . 1 1 100 100 LYS H H 1 9.14 0.02 . 1 . . . . . . . . 4429 1 779 . 1 1 100 100 LYS HA H 1 3.23 0.02 . 1 . . . . . . . . 4429 1 780 . 1 1 100 100 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4429 1 781 . 1 1 100 100 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4429 1 782 . 1 1 100 100 LYS HG2 H 1 0.86 0.02 . 2 . . . . . . . . 4429 1 783 . 1 1 100 100 LYS HG3 H 1 1.17 0.02 . 2 . . . . . . . . 4429 1 784 . 1 1 100 100 LYS HD2 H 1 1.31 0.02 . 2 . . . . . . . . 4429 1 785 . 1 1 100 100 LYS HD3 H 1 1.45 0.02 . 2 . . . . . . . . 4429 1 786 . 1 1 100 100 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . 4429 1 787 . 1 1 100 100 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 4429 1 788 . 1 1 101 101 ASP N N 15 117.8 0.1 . 1 . . . . . . . . 4429 1 789 . 1 1 101 101 ASP H H 1 8.38 0.02 . 1 . . . . . . . . 4429 1 790 . 1 1 101 101 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . 4429 1 791 . 1 1 101 101 ASP HB2 H 1 2.48 0.02 . 2 . . . . . . . . 4429 1 792 . 1 1 101 101 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4429 1 793 . 1 1 102 102 ASP N N 15 123.7 0.1 . 1 . . . . . . . . 4429 1 794 . 1 1 102 102 ASP H H 1 7.82 0.02 . 1 . . . . . . . . 4429 1 795 . 1 1 102 102 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 4429 1 796 . 1 1 102 102 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4429 1 797 . 1 1 102 102 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 4429 1 798 . 1 1 103 103 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 4429 1 799 . 1 1 103 103 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 4429 1 800 . 1 1 103 103 ALA HA H 1 3.77 0.02 . 1 . . . . . . . . 4429 1 801 . 1 1 103 103 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 802 . 1 1 103 103 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 803 . 1 1 103 103 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 4429 1 804 . 1 1 104 104 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 4429 1 805 . 1 1 104 104 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4429 1 806 . 1 1 104 104 GLU HA H 1 3.87 0.02 . 1 . . . . . . . . 4429 1 807 . 1 1 104 104 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4429 1 808 . 1 1 104 104 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4429 1 809 . 1 1 104 104 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4429 1 810 . 1 1 104 104 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 4429 1 811 . 1 1 105 105 ALA N N 15 123.6 0.1 . 1 . . . . . . . . 4429 1 812 . 1 1 105 105 ALA H H 1 7.80 0.02 . 1 . . . . . . . . 4429 1 813 . 1 1 105 105 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4429 1 814 . 1 1 105 105 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 4429 1 815 . 1 1 105 105 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 4429 1 816 . 1 1 105 105 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4429 1 817 . 1 1 106 106 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 4429 1 818 . 1 1 106 106 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 4429 1 819 . 1 1 106 106 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 4429 1 820 . 1 1 106 106 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4429 1 821 . 1 1 106 106 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4429 1 822 . 1 1 106 106 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 823 . 1 1 106 106 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 824 . 1 1 106 106 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 825 . 1 1 106 106 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 826 . 1 1 106 106 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 827 . 1 1 106 106 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 828 . 1 1 106 106 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 829 . 1 1 107 107 LYS N N 15 121.1 0.1 . 1 . . . . . . . . 4429 1 830 . 1 1 107 107 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 4429 1 831 . 1 1 107 107 LYS HA H 1 3.68 0.02 . 1 . . . . . . . . 4429 1 832 . 1 1 107 107 LYS HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4429 1 833 . 1 1 107 107 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4429 1 834 . 1 1 107 107 LYS HG2 H 1 1.16 0.02 . 2 . . . . . . . . 4429 1 835 . 1 1 107 107 LYS HG3 H 1 1.49 0.02 . 2 . . . . . . . . 4429 1 836 . 1 1 107 107 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 4429 1 837 . 1 1 107 107 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 4429 1 838 . 1 1 107 107 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4429 1 839 . 1 1 107 107 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4429 1 840 . 1 1 108 108 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4429 1 841 . 1 1 108 108 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 4429 1 842 . 1 1 108 108 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 4429 1 843 . 1 1 108 108 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4429 1 844 . 1 1 108 108 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4429 1 845 . 1 1 108 108 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4429 1 846 . 1 1 108 108 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 4429 1 847 . 1 1 108 108 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 4429 1 848 . 1 1 108 108 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4429 1 849 . 1 1 108 108 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4429 1 850 . 1 1 108 108 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4429 1 851 . 1 1 109 109 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 4429 1 852 . 1 1 109 109 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 4429 1 853 . 1 1 109 109 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4429 1 854 . 1 1 109 109 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 855 . 1 1 109 109 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 856 . 1 1 109 109 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4429 1 857 . 1 1 110 110 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 4429 1 858 . 1 1 110 110 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 4429 1 859 . 1 1 110 110 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 4429 1 860 . 1 1 110 110 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4429 1 861 . 1 1 110 110 LEU HB3 H 1 1.14 0.02 . 2 . . . . . . . . 4429 1 862 . 1 1 110 110 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 4429 1 863 . 1 1 110 110 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4429 1 864 . 1 1 110 110 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4429 1 865 . 1 1 110 110 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4429 1 866 . 1 1 110 110 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 4429 1 867 . 1 1 110 110 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 4429 1 868 . 1 1 110 110 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 4429 1 869 . 1 1 111 111 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 4429 1 870 . 1 1 111 111 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 4429 1 871 . 1 1 111 111 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4429 1 872 . 1 1 111 111 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4429 1 873 . 1 1 111 111 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4429 1 874 . 1 1 111 111 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4429 1 875 . 1 1 111 111 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4429 1 876 . 1 1 112 112 GLU N N 15 123.6 0.1 . 1 . . . . . . . . 4429 1 877 . 1 1 112 112 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4429 1 878 . 1 1 112 112 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4429 1 879 . 1 1 112 112 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4429 1 880 . 1 1 112 112 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4429 1 881 . 1 1 112 112 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4429 1 882 . 1 1 112 112 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4429 1 883 . 1 1 113 113 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 4429 1 884 . 1 1 113 113 ALA H H 1 7.03 0.02 . 1 . . . . . . . . 4429 1 885 . 1 1 113 113 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 4429 1 886 . 1 1 113 113 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4429 1 887 . 1 1 113 113 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4429 1 888 . 1 1 113 113 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4429 1 889 . 1 1 114 114 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 4429 1 890 . 1 1 114 114 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 4429 1 891 . 1 1 114 114 GLY HA2 H 1 3.72 0.02 . 2 . . . . . . . . 4429 1 892 . 1 1 114 114 GLY HA3 H 1 4.50 0.02 . 2 . . . . . . . . 4429 1 893 . 1 1 115 115 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4429 1 894 . 1 1 115 115 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 4429 1 895 . 1 1 115 115 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4429 1 896 . 1 1 115 115 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4429 1 897 . 1 1 115 115 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4429 1 898 . 1 1 115 115 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4429 1 899 . 1 1 116 116 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 4429 1 900 . 1 1 116 116 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4429 1 901 . 1 1 116 116 GLU HA H 1 4.79 0.02 . 1 . . . . . . . . 4429 1 902 . 1 1 116 116 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4429 1 903 . 1 1 116 116 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4429 1 904 . 1 1 116 116 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 4429 1 905 . 1 1 116 116 GLU HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4429 1 906 . 1 1 117 117 VAL N N 15 127.6 0.1 . 1 . . . . . . . . 4429 1 907 . 1 1 117 117 VAL H H 1 9.29 0.02 . 1 . . . . . . . . 4429 1 908 . 1 1 117 117 VAL HA H 1 5.03 0.02 . 1 . . . . . . . . 4429 1 909 . 1 1 117 117 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 4429 1 910 . 1 1 117 117 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 911 . 1 1 117 117 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 912 . 1 1 117 117 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4429 1 913 . 1 1 117 117 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 914 . 1 1 117 117 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 915 . 1 1 117 117 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 4429 1 916 . 1 1 118 118 GLU N N 15 127.2 0.1 . 1 . . . . . . . . 4429 1 917 . 1 1 118 118 GLU H H 1 9.07 0.02 . 1 . . . . . . . . 4429 1 918 . 1 1 118 118 GLU HA H 1 4.74 0.02 . 1 . . . . . . . . 4429 1 919 . 1 1 118 118 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4429 1 920 . 1 1 118 118 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4429 1 921 . 1 1 118 118 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 4429 1 922 . 1 1 118 118 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 4429 1 923 . 1 1 119 119 VAL N N 15 127.7 0.1 . 1 . . . . . . . . 4429 1 924 . 1 1 119 119 VAL H H 1 8.64 0.02 . 1 . . . . . . . . 4429 1 925 . 1 1 119 119 VAL HA H 1 5.03 0.02 . 1 . . . . . . . . 4429 1 926 . 1 1 119 119 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 4429 1 927 . 1 1 119 119 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 928 . 1 1 119 119 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 929 . 1 1 119 119 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 930 . 1 1 119 119 VAL HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 931 . 1 1 119 119 VAL HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 932 . 1 1 119 119 VAL HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4429 1 933 . 1 1 120 120 LYS N N 15 134.4 0.1 . 1 . . . . . . . . 4429 1 934 . 1 1 120 120 LYS H H 1 9.07 0.02 . 1 . . . . . . . . 4429 1 935 . 1 1 120 120 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 4429 1 936 . 1 1 120 120 LYS HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4429 1 937 . 1 1 120 120 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4429 1 938 . 1 1 120 120 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4429 1 939 . 1 1 120 120 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 4429 1 940 . 1 1 120 120 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 941 . 1 1 120 120 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4429 1 942 . 1 1 120 120 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 4429 1 943 . 1 1 120 120 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 4429 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 4429 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details 'The HN-HA J couplings of L7 dimer were measured using the HMQC experiment.' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4429 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 SER H . . . . 1 1 1 1 SER HA . . . 9.8 . . 1.0 . . . . . . . . . . . 4429 1 2 3JHNHA . 1 1 2 2 ILE H . . . . 1 1 2 2 ILE HA . . . 9.7 . . 1.0 . . . . . . . . . . . 4429 1 3 3JHNHA . 1 1 3 3 THR H . . . . 1 1 3 3 THR HA . . . 8.5 . . 2.0 . . . . . . . . . . . 4429 1 4 3JHNHA . 1 1 4 4 LYS H . . . . 1 1 4 4 LYS HA . . . 4.5 . . 1.5 . . . . . . . . . . . 4429 1 5 3JHNHA . 1 1 5 5 ASP H . . . . 1 1 5 5 ASP HA . . . 3.7 . . 1.5 . . . . . . . . . . . 4429 1 6 3JHNHA . 1 1 6 6 GLN H . . . . 1 1 6 6 GLN HA . . . 5.0 . . 2.0 . . . . . . . . . . . 4429 1 7 3JHNHA . 1 1 7 7 ILE H . . . . 1 1 7 7 ILE HA . . . 5.0 . . 2.0 . . . . . . . . . . . 4429 1 8 3JHNHA . 1 1 8 8 ILE H . . . . 1 1 8 8 ILE HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4429 1 9 3JHNHA . 1 1 9 9 GLU H . . . . 1 1 9 9 GLU HA . . . 5.5 . . 2.0 . . . . . . . . . . . 4429 1 10 3JHNHA . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA HA . . . 4.5 . . 1.5 . . . . . . . . . . . 4429 1 11 3JHNHA . 1 1 11 11 VAL H . . . . 1 1 11 11 VAL HA . . . 8.0 . . 1.5 . . . . . . . . . . . 4429 1 12 3JHNHA . 1 1 12 12 ALA H . . . . 1 1 12 12 ALA HA . . . 7.8 . . 1.5 . . . . . . . . . . . 4429 1 13 3JHNHA . 1 1 13 13 ALA H . . . . 1 1 13 13 ALA HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 14 3JHNHA . 1 1 14 14 MET H . . . . 1 1 14 14 MET HA . . . 7.6 . . 1.5 . . . . . . . . . . . 4429 1 15 3JHNHA . 1 1 15 15 SER H . . . . 1 1 15 15 SER HA . . . 9.0 . . 1.5 . . . . . . . . . . . 4429 1 16 3JHNHA . 1 1 16 16 VAL H . . . . 1 1 16 16 VAL HA . . . 5.0 . . 2.0 . . . . . . . . . . . 4429 1 17 3JHNHA . 1 1 17 17 MET H . . . . 1 1 17 17 MET HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4429 1 18 3JHNHA . 1 1 18 18 ASP H . . . . 1 1 18 18 ASP HA . . . 7.0 . . 1.5 . . . . . . . . . . . 4429 1 19 3JHNHA . 1 1 19 19 VAL H . . . . 1 1 19 19 VAL HA . . . 6.1 . . 2.0 . . . . . . . . . . . 4429 1 20 3JHNHA . 1 1 20 20 VAL H . . . . 1 1 20 20 VAL HA . . . 6.2 . . 2.0 . . . . . . . . . . . 4429 1 21 3JHNHA . 1 1 21 21 GLU H . . . . 1 1 21 21 GLU HA . . . 5.4 . . 1.0 . . . . . . . . . . . 4429 1 22 3JHNHA . 1 1 22 22 LEU H . . . . 1 1 22 22 LEU HA . . . 5.0 . . 1.5 . . . . . . . . . . . 4429 1 23 3JHNHA . 1 1 23 23 ILE H . . . . 1 1 23 23 ILE HA . . . 6.2 . . 1.5 . . . . . . . . . . . 4429 1 24 3JHNHA . 1 1 24 24 SER H . . . . 1 1 24 24 SER HA . . . 6.8 . . 1.5 . . . . . . . . . . . 4429 1 25 3JHNHA . 1 1 25 25 ALA H . . . . 1 1 25 25 ALA HA . . . 4.5 . . 1.5 . . . . . . . . . . . 4429 1 26 3JHNHA . 1 1 26 26 MET H . . . . 1 1 26 26 MET HA . . . 5.8 . . 1.5 . . . . . . . . . . . 4429 1 27 3JHNHA . 1 1 27 27 GLU H . . . . 1 1 27 27 GLU HA . . . 5.7 . . 2.0 . . . . . . . . . . . 4429 1 28 3JHNHA . 1 1 28 28 GLU H . . . . 1 1 28 28 GLU HA . . . 5.0 . . 1.5 . . . . . . . . . . . 4429 1 29 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4429 1 30 3JHNHA . 1 1 30 30 PHE H . . . . 1 1 30 30 PHE HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4429 1 31 3JHNHA . 1 1 31 31 GLY H . . . . 1 1 31 31 GLY HA . . . 6.0 . . 1.5 . . . . . . . . . . . 4429 1 32 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 11.0 . . 1.5 . . . . . . . . . . . 4429 1 33 3JHNHA . 1 1 33 33 SER H . . . . 1 1 33 33 SER HA . . . 9.0 . . 1.5 . . . . . . . . . . . 4429 1 34 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 7.8 . . 1.5 . . . . . . . . . . . 4429 1 35 3JHNHA . 1 1 35 35 ALA H . . . . 1 1 35 35 ALA HA . . . 7.0 . . 2.0 . . . . . . . . . . . 4429 1 36 3JHNHA . 1 1 36 36 ALA H . . . . 1 1 36 36 ALA HA . . . 7.0 . . 2.0 . . . . . . . . . . . 4429 1 37 3JHNHA . 1 1 37 37 ALA H . . . . 1 1 37 37 ALA HA . . . 6.8 . . 1.5 . . . . . . . . . . . 4429 1 38 3JHNHA . 1 1 38 38 VAL H . . . . 1 1 38 38 VAL HA . . . 8.0 . . 1.5 . . . . . . . . . . . 4429 1 39 3JHNHA . 1 1 39 39 ALA H . . . . 1 1 39 39 ALA HA . . . 6.8 . . 2.0 . . . . . . . . . . . 4429 1 40 3JHNHA . 1 1 40 40 VAL H . . . . 1 1 40 40 VAL HA . . . 7.2 . . 1.5 . . . . . . . . . . . 4429 1 41 3JHNHA . 1 1 41 41 ALA H . . . . 1 1 41 41 ALA HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4429 1 42 3JHNHA . 1 1 42 42 ALA H . . . . 1 1 42 42 ALA HA . . . 6.7 . . 1.5 . . . . . . . . . . . 4429 1 43 3JHNHA . 1 1 43 43 GLY H . . . . 1 1 43 43 GLY HA . . . 7.0 . . 1.5 . . . . . . . . . . . 4429 1 44 3JHNHA . 1 1 45 45 VAL H . . . . 1 1 45 45 VAL HA . . . 11.2 . . 1.5 . . . . . . . . . . . 4429 1 45 3JHNHA . 1 1 46 46 GLU H . . . . 1 1 46 46 GLU HA . . . 9.0 . . 1.5 . . . . . . . . . . . 4429 1 46 3JHNHA . 1 1 47 47 ALA H . . . . 1 1 47 47 ALA HA . . . 6.8 . . 1.5 . . . . . . . . . . . 4429 1 47 3JHNHA . 1 1 48 48 ALA H . . . . 1 1 48 48 ALA HA . . . 6.8 . . 1.5 . . . . . . . . . . . 4429 1 48 3JHNHA . 1 1 49 49 GLU H . . . . 1 1 49 49 GLU HA . . . 8.8 . . 1.5 . . . . . . . . . . . 4429 1 49 3JHNHA . 1 1 50 50 GLU H . . . . 1 1 50 50 GLU HA . . . 9.4 . . 1.5 . . . . . . . . . . . 4429 1 50 3JHNHA . 1 1 51 51 LYS H . . . . 1 1 51 51 LYS HA . . . 8.4 . . 1.5 . . . . . . . . . . . 4429 1 51 3JHNHA . 1 1 52 52 THR H . . . . 1 1 52 52 THR HA . . . 11.5 . . 1.0 . . . . . . . . . . . 4429 1 52 3JHNHA . 1 1 53 53 GLU H . . . . 1 1 53 53 GLU HA . . . 10.7 . . 1.0 . . . . . . . . . . . 4429 1 53 3JHNHA . 1 1 54 54 PHE H . . . . 1 1 54 54 PHE HA . . . 11.4 . . 1.0 . . . . . . . . . . . 4429 1 54 3JHNHA . 1 1 55 55 ASP H . . . . 1 1 55 55 ASP HA . . . 11.3 . . 1.0 . . . . . . . . . . . 4429 1 55 3JHNHA . 1 1 56 56 VAL H . . . . 1 1 56 56 VAL HA . . . 11.1 . . 1.0 . . . . . . . . . . . 4429 1 56 3JHNHA . 1 1 57 57 ILE H . . . . 1 1 57 57 ILE HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 57 3JHNHA . 1 1 58 58 LEU H . . . . 1 1 58 58 LEU HA . . . 9.7 . . 1.0 . . . . . . . . . . . 4429 1 58 3JHNHA . 1 1 59 59 LYS H . . . . 1 1 59 59 LYS HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4429 1 59 3JHNHA . 1 1 60 60 ALA H . . . . 1 1 60 60 ALA HA . . . 8.1 . . 1.5 . . . . . . . . . . . 4429 1 60 3JHNHA . 1 1 61 61 ALA H . . . . 1 1 61 61 ALA HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4429 1 61 3JHNHA . 1 1 62 62 GLY H . . . . 1 1 62 62 GLY HA . . . 8.0 . . 1.5 . . . . . . . . . . . 4429 1 62 3JHNHA . 1 1 63 63 ALA H . . . . 1 1 63 63 ALA HA . . . 6.2 . . 1.5 . . . . . . . . . . . 4429 1 63 3JHNHA . 1 1 64 64 ASN H . . . . 1 1 64 64 ASN HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 64 3JHNHA . 1 1 65 65 LYS H . . . . 1 1 65 65 LYS HA . . . 3.7 . . 1.0 . . . . . . . . . . . 4429 1 65 3JHNHA . 1 1 66 66 VAL H . . . . 1 1 66 66 VAL HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4429 1 66 3JHNHA . 1 1 67 67 ALA H . . . . 1 1 67 67 ALA HA . . . 5.0 . . 1.5 . . . . . . . . . . . 4429 1 67 3JHNHA . 1 1 68 68 VAL H . . . . 1 1 68 68 VAL HA . . . 5.5 . . 1.5 . . . . . . . . . . . 4429 1 68 3JHNHA . 1 1 69 69 ILE H . . . . 1 1 69 69 ILE HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4429 1 69 3JHNHA . 1 1 70 70 LYS H . . . . 1 1 70 70 LYS HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4429 1 70 3JHNHA . 1 1 71 71 ALA H . . . . 1 1 71 71 ALA HA . . . 5.1 . . 1.0 . . . . . . . . . . . 4429 1 71 3JHNHA . 1 1 72 72 VAL H . . . . 1 1 72 72 VAL HA . . . 4.6 . . 1.0 . . . . . . . . . . . 4429 1 72 3JHNHA . 1 1 73 73 ARG H . . . . 1 1 73 73 ARG HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4429 1 73 3JHNHA . 1 1 74 74 GLY H . . . . 1 1 74 74 GLY HA . . . 6.0 . . 1.5 . . . . . . . . . . . 4429 1 74 3JHNHA . 1 1 75 75 ALA H . . . . 1 1 75 75 ALA HA . . . 6.8 . . 1.5 . . . . . . . . . . . 4429 1 75 3JHNHA . 1 1 76 76 THR H . . . . 1 1 76 76 THR HA . . . 11.3 . . 1.0 . . . . . . . . . . . 4429 1 76 3JHNHA . 1 1 77 77 GLY H . . . . 1 1 77 77 GLY HA . . . 7.0 . . 1.5 . . . . . . . . . . . 4429 1 77 3JHNHA . 1 1 78 78 LEU H . . . . 1 1 78 78 LEU HA . . . 3.3 . . 1.0 . . . . . . . . . . . 4429 1 78 3JHNHA . 1 1 79 79 GLY H . . . . 1 1 79 79 GLY HA . . . 6.0 . . 1.5 . . . . . . . . . . . 4429 1 79 3JHNHA . 1 1 80 80 LEU H . . . . 1 1 80 80 LEU HA . . . 3.3 . . 1.5 . . . . . . . . . . . 4429 1 80 3JHNHA . 1 1 81 81 LYS H . . . . 1 1 81 81 LYS HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4429 1 81 3JHNHA . 1 1 82 82 GLU H . . . . 1 1 82 82 GLU HA . . . 3.4 . . 1.0 . . . . . . . . . . . 4429 1 82 3JHNHA . 1 1 83 83 ALA H . . . . 1 1 83 83 ALA HA . . . 5.1 . . 1.5 . . . . . . . . . . . 4429 1 83 3JHNHA . 1 1 84 84 LYS H . . . . 1 1 84 84 LYS HA . . . 3.4 . . 1.0 . . . . . . . . . . . 4429 1 84 3JHNHA . 1 1 85 85 ASP H . . . . 1 1 85 85 ASP HA . . . 4.2 . . 1.5 . . . . . . . . . . . 4429 1 85 3JHNHA . 1 1 86 86 LEU H . . . . 1 1 86 86 LEU HA . . . 4.3 . . 1.5 . . . . . . . . . . . 4429 1 86 3JHNHA . 1 1 87 87 VAL H . . . . 1 1 87 87 VAL HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4429 1 87 3JHNHA . 1 1 88 88 GLU H . . . . 1 1 88 88 GLU HA . . . 6.3 . . 1.5 . . . . . . . . . . . 4429 1 88 3JHNHA . 1 1 89 89 SER H . . . . 1 1 89 89 SER HA . . . 10.4 . . 1.0 . . . . . . . . . . . 4429 1 89 3JHNHA . 1 1 90 90 ALA H . . . . 1 1 90 90 ALA HA . . . 3.2 . . 1.0 . . . . . . . . . . . 4429 1 90 3JHNHA . 1 1 92 92 ALA H . . . . 1 1 92 92 ALA HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4429 1 91 3JHNHA . 1 1 93 93 ALA H . . . . 1 1 93 93 ALA HA . . . 6.4 . . 1.5 . . . . . . . . . . . 4429 1 92 3JHNHA . 1 1 94 94 LEU H . . . . 1 1 94 94 LEU HA . . . 10.5 . . 1.0 . . . . . . . . . . . 4429 1 93 3JHNHA . 1 1 95 95 LYS H . . . . 1 1 95 95 LYS HA . . . 8.5 . . 1.0 . . . . . . . . . . . 4429 1 94 3JHNHA . 1 1 96 96 GLU H . . . . 1 1 96 96 GLU HA . . . 11.3 . . 1.0 . . . . . . . . . . . 4429 1 95 3JHNHA . 1 1 97 97 GLY H . . . . 1 1 97 97 GLY HA . . . 6.5 . . 1.5 . . . . . . . . . . . 4429 1 96 3JHNHA . 1 1 98 98 VAL H . . . . 1 1 98 98 VAL HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 97 3JHNHA . 1 1 99 99 SER H . . . . 1 1 99 99 SER HA . . . 3.4 . . 1.0 . . . . . . . . . . . 4429 1 98 3JHNHA . 1 1 100 100 LYS H . . . . 1 1 100 100 LYS HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4429 1 99 3JHNHA . 1 1 101 101 ASP H . . . . 1 1 101 101 ASP HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4429 1 100 3JHNHA . 1 1 102 102 ASP H . . . . 1 1 102 102 ASP HA . . . 4.5 . . 1.5 . . . . . . . . . . . 4429 1 101 3JHNHA . 1 1 103 103 ALA H . . . . 1 1 103 103 ALA HA . . . 3.3 . . 1.0 . . . . . . . . . . . 4429 1 102 3JHNHA . 1 1 104 104 GLU H . . . . 1 1 104 104 GLU HA . . . 5.0 . . 1.0 . . . . . . . . . . . 4429 1 103 3JHNHA . 1 1 105 105 ALA H . . . . 1 1 105 105 ALA HA . . . 4.9 . . 1.5 . . . . . . . . . . . 4429 1 104 3JHNHA . 1 1 106 106 LEU H . . . . 1 1 106 106 LEU HA . . . 5.3 . . 1.0 . . . . . . . . . . . 4429 1 105 3JHNHA . 1 1 107 107 LYS H . . . . 1 1 107 107 LYS HA . . . 3.3 . . 1.0 . . . . . . . . . . . 4429 1 106 3JHNHA . 1 1 108 108 LYS H . . . . 1 1 108 108 LYS HA . . . 3.2 . . 1.0 . . . . . . . . . . . 4429 1 107 3JHNHA . 1 1 109 109 ALA H . . . . 1 1 109 109 ALA HA . . . 3.0 . . 1.0 . . . . . . . . . . . 4429 1 108 3JHNHA . 1 1 110 110 LEU H . . . . 1 1 110 110 LEU HA . . . 5.9 . . 1.5 . . . . . . . . . . . 4429 1 109 3JHNHA . 1 1 111 111 GLU H . . . . 1 1 111 111 GLU HA . . . 4.0 . . 1.5 . . . . . . . . . . . 4429 1 110 3JHNHA . 1 1 112 112 GLU H . . . . 1 1 112 112 GLU HA . . . 4.4 . . 1.5 . . . . . . . . . . . 4429 1 111 3JHNHA . 1 1 113 113 ALA H . . . . 1 1 113 113 ALA HA . . . 9.7 . . 1.0 . . . . . . . . . . . 4429 1 112 3JHNHA . 1 1 114 114 GLY H . . . . 1 1 114 114 GLY HA . . . 7.5 . . 1.5 . . . . . . . . . . . 4429 1 113 3JHNHA . 1 1 115 115 ALA H . . . . 1 1 115 115 ALA HA . . . 9.1 . . 1.5 . . . . . . . . . . . 4429 1 114 3JHNHA . 1 1 116 116 GLU H . . . . 1 1 116 116 GLU HA . . . 11.4 . . 1.0 . . . . . . . . . . . 4429 1 115 3JHNHA . 1 1 117 117 VAL H . . . . 1 1 117 117 VAL HA . . . 11.5 . . 1.0 . . . . . . . . . . . 4429 1 116 3JHNHA . 1 1 118 118 GLU H . . . . 1 1 118 118 GLU HA . . . 11.4 . . 1.0 . . . . . . . . . . . 4429 1 117 3JHNHA . 1 1 119 119 VAL H . . . . 1 1 119 119 VAL HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 118 3JHNHA . 1 1 120 120 LYS H . . . . 1 1 120 120 LYS HA . . . 11.0 . . 1.0 . . . . . . . . . . . 4429 1 stop_ save_