data_4001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4001 _Entry.Title ; 1H, 13C, and 15N resonance assignments for reduced apo-S100beta ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-06-15 _Entry.Accession_date 1996-03-05 _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 ; In this study, multiple chemical shifts were observed for amino acid nuclei in two segments of apo-S100beta. The submitted chemical shifts have been grouped into seven categories; 1) resonances from amino acids that did not exhibit multiple shifts (chemical shift save frame 'constant_shifts'), 2) three sets of resonances related to amino acids in the first 15 residues of the protein (chemical shift save frames set_a, set_b, and set_c), and 3) three sets of resonances for several amino acids in the region from approximately residues 41 to 46 (chemical shift save frames set_d, set_e, and set_f). ; _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 Judith Amburgey . C. . 4001 2 Frits Abildgaard . . . 4001 3 Mary Starich . R. . 4001 4 Sanjiv Shah . . . 4001 5 Dana Hilt . C. . 4001 6 David Weber . J. . 4001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 7 4001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 4001 '15N chemical shifts' 114 4001 '1H chemical shifts' 711 4001 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 5 . . 2010-06-14 . update BMRB 'Complete natural source information' 4001 4 . . 1996-01-29 . original BMRB 'Original entry generated.' 4001 3 . . 1996-03-05 . reformat BMRB ; Converted to the BMRB 1996-03-01 export file format. Accession number changed from BMRB0001 to 4001. ; 4001 2 . . 1997-08-01 . revised BMRB 'chemical shift counts added to header' 4001 1 . . 1999-10-18 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4001 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96173091 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Amburgey, J.C., Abildgaard, F., Starich, M.R., Shah, S., Hilt, D.C., Weber, D.J., "1H, 13C and 15N NMR Assignments and Solution Secondary Structure of Rat Apo-S100beta," J. Biomol. NMR 6, 171-179 (1995). ; _Citation.Title ; 1H, 13C and 15N NMR Assignments and Solution Secondary Structure of Rat Apo-S100beta ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 171 _Citation.Page_last 179 _Citation.Year 1995 _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 Judith Amburgey . C. . 4001 1 2 Frits Abildgaard . . . 4001 1 3 Mary Starich . R. . 4001 1 4 Sanjiv Shah . . . 4001 1 5 Dana Hilt . C. . 4001 1 6 David Weber . J. . 4001 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-hands 4001 1 S100beta 4001 1 'S100 proteins' 4001 1 'secondary structure' 4001 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4001 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Live, D.H., Davis, D.G., Agosta, W.C. and Cowburn, D. J. Am. Chem. Soc. 106, 1939-1941(1984) ; _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_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4001 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Spera, S. and Bax, A. J. Am. Chem. Soc. 113, 5490-5492(1991) ; _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_citation_three _Citation.Sf_category citations _Citation.Sf_framecode citation_three _Citation.Entry_ID 4001 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7830587 _Citation.Full_citation ; Edison, A.S., Abildgaard, F., Westler,W.M., Mooberry, E.S. and Markley,J.L. Methods Enzymol. 239, 3-79(1994) ; _Citation.Title 'Practical introduction to theory and implementation of multinuclear, multidimensional nuclear magnetic resonance experiments.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Meth. Enzymol.' _Citation.Journal_name_full 'Methods in enzymology' _Citation.Journal_volume 239 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0076-6879 _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 3 _Citation.Page_last 79 _Citation.Year 1994 _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 'A S' Edison A. S. . 4001 4 2 F Abildgaard F. . . 4001 4 3 'W M' Westler W. M. . 4001 4 4 'E S' Mooberry E. S. . 4001 4 5 'J L' Markley J. L. . 4001 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_apo-S100beta _Assembly.Sf_category assembly _Assembly.Sf_framecode apo-S100beta _Assembly.Entry_ID 4001 _Assembly.ID 1 _Assembly.Name apo-S100beta _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 unknown _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Disulfide linkage map was not reported.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4001 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 apo-S100beta 1 $S100beta . . . native . . . . . 4001 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID apo-S100beta abbreviation 4001 1 apo-S100beta system 4001 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium-binding protein' 4001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100beta _Entity.Sf_category entity _Entity.Sf_framecode S100beta _Entity.Entry_ID 4001 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100beta _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 ; MSELEKAMVALIDVFHQYSG REGDKHKLKKSELKELINNE LSHFLEEIKEQEVVDKVMET LDEDGDGECDFQEFMAFVSM VTTACHEFFEHE ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15923 . "rat S100B" . . . . . 98.91 91 100.00 100.00 2.70e-56 . . . . 4001 1 2 no BMRB 4099 . "S100B beta" . . . . . 98.91 91 100.00 100.00 2.70e-56 . . . . 4001 1 3 no BMRB 4105 . S100B . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 4 no BMRB 4702 . "S100B beta" . . . . . 98.91 91 100.00 100.00 2.70e-56 . . . . 4001 1 5 no PDB 1B4C . "Solution Structure Of Rat Apo-S100b Using Dipolar Couplings" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 6 no PDB 1DT7 . "Solution Structure Of The C-Terminal Negative Regulatory Domain Of P53 In A Complex With Ca2+-Bound S100b(Bb)" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 7 no PDB 1MQ1 . "Ca2+-S100b-Trtk-12 Complex" . . . . . 98.91 91 97.80 98.90 3.31e-55 . . . . 4001 1 8 no PDB 1MWN . "Solution Nmr Structure Of S100b Bound To The High-Affinity Target Peptide Trtk-12" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 9 no PDB 1QLK . "Solution Structure Of Ca(2+)-Loaded Rat S100b (Betabeta) Nmr, 20 Structures" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 10 no PDB 1SYM . "3-D Solution Structure Of Reduced Apo-S100b From Rat, Nmr, 20 Structures" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 11 no PDB 1UWO . "Calcium Form Of Human S100b, Nmr, 20 Structures" . . . . . 98.91 91 97.80 98.90 3.31e-55 . . . . 4001 1 12 no PDB 1XYD . "Nmr Solution Structure Of Rat Zinc-Calcium-S100b, 20 Structures" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 13 no PDB 2H61 . "X-ray Structure Of Human Ca2+-loaded S100b" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 14 no PDB 2K7O . "Ca2+-s100b, Refined With Rdcs" . . . . . 98.91 91 100.00 100.00 2.70e-56 . . . . 4001 1 15 no PDB 2M49 . "Structural Insights Into Human S100b And Basic Fibroblast Growth Factor (fgf2) Interaction" . . . . . 98.91 91 97.80 98.90 3.31e-55 . . . . 4001 1 16 no PDB 2PRU . "Nmr Structure Of Human Apos100b At 10c" . . . . . 98.91 91 97.80 98.90 3.31e-55 . . . . 4001 1 17 no PDB 3CZT . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 9" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 18 no PDB 3D0Y . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 6.5" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 19 no PDB 3D10 . "Crystal Structure Of S100b In The Calcium And Zinc Loaded State At Ph 10.0" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 20 no PDB 3HCM . "Crystal Structure Of Human S100b In Complex With S45" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 21 no PDB 4XYN . "X-ray Structure Of Ca(2+)-s100b With Human Rage-derived W61 Peptide" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 22 no PDB 5CSF . "S100b-rsk1 Crystal Structure A" . . . . . 100.00 95 97.83 98.91 5.98e-56 . . . . 4001 1 23 no PDB 5CSI . "S100b-rsk1 Crystal Structure A'" . . . . . 100.00 95 97.83 98.91 5.98e-56 . . . . 4001 1 24 no PDB 5CSJ . "S100b-rsk1 Crystal Structure B" . . . . . 100.00 95 97.83 98.91 5.98e-56 . . . . 4001 1 25 no PDB 5CSN . "S100b-rsk1 Crystal Structure C" . . . . . 100.00 95 97.83 98.91 5.98e-56 . . . . 4001 1 26 no DBJ BAB43945 . "S100B [Cricetulus griseus]" . . . . . 100.00 92 97.83 98.91 4.96e-56 . . . . 4001 1 27 no DBJ BAE22214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 28 no DBJ BAE22413 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 29 no DBJ BAE36647 . "unnamed protein product [Mus musculus]" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 30 no DBJ BAE88979 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 92 97.83 98.91 4.55e-56 . . . . 4001 1 31 no EMBL CAA25567 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 32 no EMBL CAG46920 . "S100B [Homo sapiens]" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 33 no GB AAA03075 . "S100 beta protein [Mus musculus domesticus]" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 34 no GB AAA42096 . "S100 protein [Rattus norvegicus]" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 35 no GB AAA60367 . "S100 protein beta subunit [Homo sapiens]" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 36 no GB AAH01766 . "S100 calcium binding protein B [Homo sapiens]" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 37 no GB AAH61178 . "S100 protein, beta polypeptide, neural [Mus musculus]" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 38 no PRF 2003367B . "S-100 protein:SUBUNIT=beta" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 39 no REF NP_001076199 . "protein S100-B [Oryctolagus cuniculus]" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 40 no REF NP_001233735 . "protein S100-B [Cricetulus griseus]" . . . . . 100.00 92 97.83 98.91 4.96e-56 . . . . 4001 1 41 no REF NP_001247455 . "protein S100-B [Macaca mulatta]" . . . . . 100.00 92 97.83 98.91 4.55e-56 . . . . 4001 1 42 no REF NP_001270589 . "uncharacterized protein LOC101925200 [Macaca fascicularis]" . . . . . 100.00 92 97.83 98.91 4.55e-56 . . . . 4001 1 43 no REF NP_006263 . "protein S100-B [Homo sapiens]" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 44 no SP P04271 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 45 no SP P04631 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 100.00 100.00 4.46e-57 . . . . 4001 1 46 no SP P50114 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 98.91 100.00 1.26e-56 . . . . 4001 1 47 no SP Q6YNR6 . "RecName: Full=Protein S100-B; AltName: Full=S-100 protein beta chain; AltName: Full=S-100 protein subunit beta; AltName: Full=S" . . . . . 100.00 92 97.83 98.91 4.50e-56 . . . . 4001 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S100beta abbreviation 4001 1 S100beta common 4001 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 0 MET . 4001 1 2 1 SER . 4001 1 3 2 GLU . 4001 1 4 3 LEU . 4001 1 5 4 GLU . 4001 1 6 5 LYS . 4001 1 7 6 ALA . 4001 1 8 7 MET . 4001 1 9 8 VAL . 4001 1 10 9 ALA . 4001 1 11 10 LEU . 4001 1 12 11 ILE . 4001 1 13 12 ASP . 4001 1 14 13 VAL . 4001 1 15 14 PHE . 4001 1 16 15 HIS . 4001 1 17 16 GLN . 4001 1 18 17 TYR . 4001 1 19 18 SER . 4001 1 20 19 GLY . 4001 1 21 20 ARG . 4001 1 22 21 GLU . 4001 1 23 22 GLY . 4001 1 24 23 ASP . 4001 1 25 24 LYS . 4001 1 26 25 HIS . 4001 1 27 26 LYS . 4001 1 28 27 LEU . 4001 1 29 28 LYS . 4001 1 30 29 LYS . 4001 1 31 30 SER . 4001 1 32 31 GLU . 4001 1 33 32 LEU . 4001 1 34 33 LYS . 4001 1 35 34 GLU . 4001 1 36 35 LEU . 4001 1 37 36 ILE . 4001 1 38 37 ASN . 4001 1 39 38 ASN . 4001 1 40 39 GLU . 4001 1 41 40 LEU . 4001 1 42 41 SER . 4001 1 43 42 HIS . 4001 1 44 43 PHE . 4001 1 45 44 LEU . 4001 1 46 45 GLU . 4001 1 47 46 GLU . 4001 1 48 47 ILE . 4001 1 49 48 LYS . 4001 1 50 49 GLU . 4001 1 51 50 GLN . 4001 1 52 51 GLU . 4001 1 53 52 VAL . 4001 1 54 53 VAL . 4001 1 55 54 ASP . 4001 1 56 55 LYS . 4001 1 57 56 VAL . 4001 1 58 57 MET . 4001 1 59 58 GLU . 4001 1 60 59 THR . 4001 1 61 60 LEU . 4001 1 62 61 ASP . 4001 1 63 62 GLU . 4001 1 64 63 ASP . 4001 1 65 64 GLY . 4001 1 66 65 ASP . 4001 1 67 66 GLY . 4001 1 68 67 GLU . 4001 1 69 68 CYS . 4001 1 70 69 ASP . 4001 1 71 70 PHE . 4001 1 72 71 GLN . 4001 1 73 72 GLU . 4001 1 74 73 PHE . 4001 1 75 74 MET . 4001 1 76 75 ALA . 4001 1 77 76 PHE . 4001 1 78 77 VAL . 4001 1 79 78 SER . 4001 1 80 79 MET . 4001 1 81 80 VAL . 4001 1 82 81 THR . 4001 1 83 82 THR . 4001 1 84 83 ALA . 4001 1 85 84 CYS . 4001 1 86 85 HIS . 4001 1 87 86 GLU . 4001 1 88 87 PHE . 4001 1 89 88 PHE . 4001 1 90 89 GLU . 4001 1 91 90 HIS . 4001 1 92 91 GLU . 4001 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4001 1 . SER 2 2 4001 1 . GLU 3 3 4001 1 . LEU 4 4 4001 1 . GLU 5 5 4001 1 . LYS 6 6 4001 1 . ALA 7 7 4001 1 . MET 8 8 4001 1 . VAL 9 9 4001 1 . ALA 10 10 4001 1 . LEU 11 11 4001 1 . ILE 12 12 4001 1 . ASP 13 13 4001 1 . VAL 14 14 4001 1 . PHE 15 15 4001 1 . HIS 16 16 4001 1 . GLN 17 17 4001 1 . TYR 18 18 4001 1 . SER 19 19 4001 1 . GLY 20 20 4001 1 . ARG 21 21 4001 1 . GLU 22 22 4001 1 . GLY 23 23 4001 1 . ASP 24 24 4001 1 . LYS 25 25 4001 1 . HIS 26 26 4001 1 . LYS 27 27 4001 1 . LEU 28 28 4001 1 . LYS 29 29 4001 1 . LYS 30 30 4001 1 . SER 31 31 4001 1 . GLU 32 32 4001 1 . LEU 33 33 4001 1 . LYS 34 34 4001 1 . GLU 35 35 4001 1 . LEU 36 36 4001 1 . ILE 37 37 4001 1 . ASN 38 38 4001 1 . ASN 39 39 4001 1 . GLU 40 40 4001 1 . LEU 41 41 4001 1 . SER 42 42 4001 1 . HIS 43 43 4001 1 . PHE 44 44 4001 1 . LEU 45 45 4001 1 . GLU 46 46 4001 1 . GLU 47 47 4001 1 . ILE 48 48 4001 1 . LYS 49 49 4001 1 . GLU 50 50 4001 1 . GLN 51 51 4001 1 . GLU 52 52 4001 1 . VAL 53 53 4001 1 . VAL 54 54 4001 1 . ASP 55 55 4001 1 . LYS 56 56 4001 1 . VAL 57 57 4001 1 . MET 58 58 4001 1 . GLU 59 59 4001 1 . THR 60 60 4001 1 . LEU 61 61 4001 1 . ASP 62 62 4001 1 . GLU 63 63 4001 1 . ASP 64 64 4001 1 . GLY 65 65 4001 1 . ASP 66 66 4001 1 . GLY 67 67 4001 1 . GLU 68 68 4001 1 . CYS 69 69 4001 1 . ASP 70 70 4001 1 . PHE 71 71 4001 1 . GLN 72 72 4001 1 . GLU 73 73 4001 1 . PHE 74 74 4001 1 . MET 75 75 4001 1 . ALA 76 76 4001 1 . PHE 77 77 4001 1 . VAL 78 78 4001 1 . SER 79 79 4001 1 . MET 80 80 4001 1 . VAL 81 81 4001 1 . THR 82 82 4001 1 . THR 83 83 4001 1 . ALA 84 84 4001 1 . CYS 85 85 4001 1 . HIS 86 86 4001 1 . GLU 87 87 4001 1 . PHE 88 88 4001 1 . PHE 89 89 4001 1 . GLU 90 90 4001 1 . HIS 91 91 4001 1 . GLU 92 92 4001 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 4001 _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 $S100beta . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . brain . . . . . . . . . . . . . . . . . 4001 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 4001 _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 $S100beta . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli 'HMS174 (DE3)' . . . . . . . . . . . . plasmid . . 'pET11b containing the S100beta gene' . . . . . . 4001 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4001 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100beta . . . 1 $S100beta . . . 3 6 mM . . . . 4001 1 2 EDTA . . . . . . . . 0.34 0.34 mM . . . . 4001 1 3 beta-mercaptoethanol . . . . . . . . 2 10 mM . . . . 4001 1 4 d11-Tris-HCl . . . . . . . . 6 10 mM . . . . 4001 1 5 NaCl . . . . . . . . 17 20 mM . . . . 4001 1 6 H2O . . . . . . . 90 . . % . . . . 4001 1 7 D2O . . . . . . . 10 . . % . . . . 4001 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4001 _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 6.5 . na 4001 1 temperature 310 . K 4001 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 4001 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4001 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4001 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 0.0 . indirect 0.25144953 . . . 3 $citation_two . . . . 4001 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct . . . . . . . . . . 4001 1 N 15 H2O protons . . . . ppm 0.0 . indirect 0.10132905 . . . 2 $citation_one . . . . 4001 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_one _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The residue chemical shifts recorded in this save frame are from amino acids where multiple chemical shifts were not reported. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.86 . . 1 . . . . . . . . 4001 1 2 . 1 1 1 1 MET C C 13 173.73 . . 1 . . . . . . . . 4001 1 3 . 1 1 1 1 MET CA C 13 55.1 . . 1 . . . . . . . . 4001 1 4 . 1 1 1 1 MET CB C 13 35.03 . . 1 . . . . . . . . 4001 1 5 . 1 1 3 3 GLU HA H 1 4.04 . . 1 . . . . . . . . 4001 1 6 . 1 1 3 3 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4001 1 7 . 1 1 3 3 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 4001 1 8 . 1 1 3 3 GLU HG2 H 1 2.46 . . 1 . . . . . . . . 4001 1 9 . 1 1 3 3 GLU HG3 H 1 2.46 . . 1 . . . . . . . . 4001 1 10 . 1 1 3 3 GLU H H 1 8.93 . . 1 . . . . . . . . 4001 1 11 . 1 1 3 3 GLU C C 13 179.68 . . 1 . . . . . . . . 4001 1 12 . 1 1 3 3 GLU CA C 13 59.79 . . 1 . . . . . . . . 4001 1 13 . 1 1 3 3 GLU CB C 13 29.04 . . 1 . . . . . . . . 4001 1 14 . 1 1 3 3 GLU CG C 13 36.31 . . 1 . . . . . . . . 4001 1 15 . 1 1 3 3 GLU N N 15 120.4 . . 1 . . . . . . . . 4001 1 16 . 1 1 8 8 MET HA H 1 4.8 . . 1 . . . . . . . . 4001 1 17 . 1 1 8 8 MET HB2 H 1 2.54 . . 2 . . . . . . . . 4001 1 18 . 1 1 8 8 MET HB3 H 1 2.11 . . 2 . . . . . . . . 4001 1 19 . 1 1 8 8 MET HG2 H 1 2.85 . . 1 . . . . . . . . 4001 1 20 . 1 1 8 8 MET HG3 H 1 2.85 . . 1 . . . . . . . . 4001 1 21 . 1 1 8 8 MET H H 1 8.33 . . 1 . . . . . . . . 4001 1 22 . 1 1 8 8 MET C C 13 179.56 . . 1 . . . . . . . . 4001 1 23 . 1 1 8 8 MET CA C 13 56.66 . . 1 . . . . . . . . 4001 1 24 . 1 1 8 8 MET CB C 13 29.04 . . 1 . . . . . . . . 4001 1 25 . 1 1 8 8 MET CG C 13 30.57 . . 1 . . . . . . . . 4001 1 26 . 1 1 8 8 MET N N 15 115.25 . . 1 . . . . . . . . 4001 1 27 . 1 1 10 10 ALA HA H 1 4.28 . . 1 . . . . . . . . 4001 1 28 . 1 1 10 10 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4001 1 29 . 1 1 10 10 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4001 1 30 . 1 1 10 10 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4001 1 31 . 1 1 10 10 ALA H H 1 7.71 . . 1 . . . . . . . . 4001 1 32 . 1 1 10 10 ALA C C 13 180.53 . . 1 . . . . . . . . 4001 1 33 . 1 1 10 10 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 1 34 . 1 1 10 10 ALA CB C 13 17.99 . . 1 . . . . . . . . 4001 1 35 . 1 1 10 10 ALA N N 15 122.98 . . 1 . . . . . . . . 4001 1 36 . 1 1 13 13 ASP HA H 1 4.26 . . 1 . . . . . . . . 4001 1 37 . 1 1 13 13 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 4001 1 38 . 1 1 13 13 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 4001 1 39 . 1 1 13 13 ASP H H 1 8.15 . . 1 . . . . . . . . 4001 1 40 . 1 1 13 13 ASP C C 13 179.43 . . 1 . . . . . . . . 4001 1 41 . 1 1 13 13 ASP CA C 13 57.84 . . 1 . . . . . . . . 4001 1 42 . 1 1 13 13 ASP CB C 13 40.55 . . 1 . . . . . . . . 4001 1 43 . 1 1 13 13 ASP N N 15 120.73 . . 1 . . . . . . . . 4001 1 44 . 1 1 14 14 VAL HA H 1 3.82 . . 1 . . . . . . . . 4001 1 45 . 1 1 14 14 VAL HB H 1 2.3 . . 1 . . . . . . . . 4001 1 46 . 1 1 14 14 VAL HG11 H 1 1.21 . . 1 . . . . . . . . 4001 1 47 . 1 1 14 14 VAL HG12 H 1 1.21 . . 1 . . . . . . . . 4001 1 48 . 1 1 14 14 VAL HG13 H 1 1.21 . . 1 . . . . . . . . 4001 1 49 . 1 1 14 14 VAL HG21 H 1 1.21 . . 1 . . . . . . . . 4001 1 50 . 1 1 14 14 VAL HG22 H 1 1.21 . . 1 . . . . . . . . 4001 1 51 . 1 1 14 14 VAL HG23 H 1 1.21 . . 1 . . . . . . . . 4001 1 52 . 1 1 14 14 VAL H H 1 8.41 . . 1 . . . . . . . . 4001 1 53 . 1 1 14 14 VAL C C 13 177.49 . . 1 . . . . . . . . 4001 1 54 . 1 1 14 14 VAL CA C 13 66.89 . . 1 . . . . . . . . 4001 1 55 . 1 1 14 14 VAL CB C 13 31.8 . . 1 . . . . . . . . 4001 1 56 . 1 1 14 14 VAL CG1 C 13 22.22 . . 1 . . . . . . . . 4001 1 57 . 1 1 14 14 VAL CG2 C 13 22.22 . . 1 . . . . . . . . 4001 1 58 . 1 1 14 14 VAL N N 15 121.29 . . 1 . . . . . . . . 4001 1 59 . 1 1 16 16 HIS HA H 1 5.15 . . 1 . . . . . . . . 4001 1 60 . 1 1 16 16 HIS HB2 H 1 3.2 . . 2 . . . . . . . . 4001 1 61 . 1 1 16 16 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 4001 1 62 . 1 1 16 16 HIS H H 1 8.74 . . 1 . . . . . . . . 4001 1 63 . 1 1 16 16 HIS C C 13 178.34 . . 1 . . . . . . . . 4001 1 64 . 1 1 16 16 HIS CA C 13 56.27 . . 1 . . . . . . . . 4001 1 65 . 1 1 16 16 HIS CB C 13 32.14 . . 1 . . . . . . . . 4001 1 66 . 1 1 16 16 HIS N N 15 117.42 . . 1 . . . . . . . . 4001 1 67 . 1 1 17 17 GLN HA H 1 3.82 . . 1 . . . . . . . . 4001 1 68 . 1 1 17 17 GLN HB2 H 1 2.41 . . 1 . . . . . . . . 4001 1 69 . 1 1 17 17 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 4001 1 70 . 1 1 17 17 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4001 1 71 . 1 1 17 17 GLN HG3 H 1 2.22 . . 2 . . . . . . . . 4001 1 72 . 1 1 17 17 GLN H H 1 8.32 . . 1 . . . . . . . . 4001 1 73 . 1 1 17 17 GLN HE21 H 1 7.11 . . 2 . . . . . . . . 4001 1 74 . 1 1 17 17 GLN HE22 H 1 6.78 . . 2 . . . . . . . . 4001 1 75 . 1 1 17 17 GLN C C 13 177.74 . . 1 . . . . . . . . 4001 1 76 . 1 1 17 17 GLN CA C 13 59.27 . . 1 . . . . . . . . 4001 1 77 . 1 1 17 17 GLN CB C 13 27.66 . . 1 . . . . . . . . 4001 1 78 . 1 1 17 17 GLN CG C 13 33.7 . . 1 . . . . . . . . 4001 1 79 . 1 1 17 17 GLN N N 15 122.25 . . 1 . . . . . . . . 4001 1 80 . 1 1 17 17 GLN NE2 N 15 111.47 . . 1 . . . . . . . . 4001 1 81 . 1 1 18 18 TYR HA H 1 4.15 . . 1 . . . . . . . . 4001 1 82 . 1 1 18 18 TYR HB2 H 1 2.65 . . 1 . . . . . . . . 4001 1 83 . 1 1 18 18 TYR HB3 H 1 2.65 . . 1 . . . . . . . . 4001 1 84 . 1 1 18 18 TYR H H 1 7.37 . . 1 . . . . . . . . 4001 1 85 . 1 1 18 18 TYR C C 13 178.46 . . 1 . . . . . . . . 4001 1 86 . 1 1 18 18 TYR CA C 13 60.18 . . 1 . . . . . . . . 4001 1 87 . 1 1 18 18 TYR CB C 13 40.55 . . 1 . . . . . . . . 4001 1 88 . 1 1 18 18 TYR N N 15 115.73 . . 1 . . . . . . . . 4001 1 89 . 1 1 19 19 SER HA H 1 4.01 . . 1 . . . . . . . . 4001 1 90 . 1 1 19 19 SER HB2 H 1 3.49 . . 1 . . . . . . . . 4001 1 91 . 1 1 19 19 SER HB3 H 1 3.49 . . 1 . . . . . . . . 4001 1 92 . 1 1 19 19 SER H H 1 9.64 . . 1 . . . . . . . . 4001 1 93 . 1 1 19 19 SER C C 13 176.28 . . 1 . . . . . . . . 4001 1 94 . 1 1 19 19 SER CA C 13 61.36 . . 1 . . . . . . . . 4001 1 95 . 1 1 19 19 SER CB C 13 61.36 . . 1 . . . . . . . . 4001 1 96 . 1 1 19 19 SER N N 15 121.37 . . 1 . . . . . . . . 4001 1 97 . 1 1 20 20 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 4001 1 98 . 1 1 20 20 GLY HA3 H 1 3.71 . . 2 . . . . . . . . 4001 1 99 . 1 1 20 20 GLY H H 1 8.02 . . 1 . . . . . . . . 4001 1 100 . 1 1 20 20 GLY C C 13 174.7 . . 1 . . . . . . . . 4001 1 101 . 1 1 20 20 GLY CA C 13 44.92 . . 1 . . . . . . . . 4001 1 102 . 1 1 20 20 GLY N N 15 107.28 . . 1 . . . . . . . . 4001 1 103 . 1 1 21 21 ARG HA H 1 3.96 . . 1 . . . . . . . . 4001 1 104 . 1 1 21 21 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 4001 1 105 . 1 1 21 21 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4001 1 106 . 1 1 21 21 ARG HG2 H 1 1.59 . . 1 . . . . . . . . 4001 1 107 . 1 1 21 21 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 4001 1 108 . 1 1 21 21 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4001 1 109 . 1 1 21 21 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4001 1 110 . 1 1 21 21 ARG H H 1 7.17 . . 1 . . . . . . . . 4001 1 111 . 1 1 21 21 ARG C C 13 176.52 . . 1 . . . . . . . . 4001 1 112 . 1 1 21 21 ARG CA C 13 59.01 . . 1 . . . . . . . . 4001 1 113 . 1 1 21 21 ARG CB C 13 30.42 . . 1 . . . . . . . . 4001 1 114 . 1 1 21 21 ARG CG C 13 27.44 . . 1 . . . . . . . . 4001 1 115 . 1 1 21 21 ARG CD C 13 43.62 . . 1 . . . . . . . . 4001 1 116 . 1 1 21 21 ARG N N 15 118.63 . . 1 . . . . . . . . 4001 1 117 . 1 1 22 22 GLU HA H 1 4.2 . . 1 . . . . . . . . 4001 1 118 . 1 1 22 22 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 4001 1 119 . 1 1 22 22 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 4001 1 120 . 1 1 22 22 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 4001 1 121 . 1 1 22 22 GLU HG3 H 1 2.18 . . 1 . . . . . . . . 4001 1 122 . 1 1 22 22 GLU H H 1 7.77 . . 1 . . . . . . . . 4001 1 123 . 1 1 22 22 GLU C C 13 174.95 . . 1 . . . . . . . . 4001 1 124 . 1 1 22 22 GLU CA C 13 55.1 . . 1 . . . . . . . . 4001 1 125 . 1 1 22 22 GLU CB C 13 32.26 . . 1 . . . . . . . . 4001 1 126 . 1 1 22 22 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 1 127 . 1 1 22 22 GLU N N 15 115.81 . . 1 . . . . . . . . 4001 1 128 . 1 1 23 23 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 4001 1 129 . 1 1 23 23 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4001 1 130 . 1 1 23 23 GLY H H 1 8.35 . . 1 . . . . . . . . 4001 1 131 . 1 1 23 23 GLY C C 13 174.46 . . 1 . . . . . . . . 4001 1 132 . 1 1 23 23 GLY CA C 13 45.71 . . 1 . . . . . . . . 4001 1 133 . 1 1 23 23 GLY N N 15 109.13 . . 1 . . . . . . . . 4001 1 134 . 1 1 24 24 ASP HA H 1 4.48 . . 1 . . . . . . . . 4001 1 135 . 1 1 24 24 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4001 1 136 . 1 1 24 24 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 4001 1 137 . 1 1 24 24 ASP H H 1 8.61 . . 1 . . . . . . . . 4001 1 138 . 1 1 24 24 ASP C C 13 178.46 . . 1 . . . . . . . . 4001 1 139 . 1 1 24 24 ASP CA C 13 54.31 . . 1 . . . . . . . . 4001 1 140 . 1 1 24 24 ASP CB C 13 42.39 . . 1 . . . . . . . . 4001 1 141 . 1 1 24 24 ASP N N 15 125.47 . . 1 . . . . . . . . 4001 1 142 . 1 1 25 25 LYS HA H 1 4.26 . . 1 . . . . . . . . 4001 1 143 . 1 1 25 25 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 4001 1 144 . 1 1 25 25 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 4001 1 145 . 1 1 25 25 LYS HG2 H 1 1.13 . . 1 . . . . . . . . 4001 1 146 . 1 1 25 25 LYS HG3 H 1 1.13 . . 1 . . . . . . . . 4001 1 147 . 1 1 25 25 LYS H H 1 8.57 . . 1 . . . . . . . . 4001 1 148 . 1 1 25 25 LYS C C 13 176.77 . . 1 . . . . . . . . 4001 1 149 . 1 1 25 25 LYS CA C 13 57.44 . . 1 . . . . . . . . 4001 1 150 . 1 1 25 25 LYS CB C 13 31.43 . . 1 . . . . . . . . 4001 1 151 . 1 1 25 25 LYS CG C 13 24.31 . . 1 . . . . . . . . 4001 1 152 . 1 1 25 25 LYS CD C 13 29.01 . . 1 . . . . . . . . 4001 1 153 . 1 1 25 25 LYS CE C 13 42.05 . . 1 . . . . . . . . 4001 1 154 . 1 1 25 25 LYS N N 15 126.12 . . 1 . . . . . . . . 4001 1 155 . 1 1 26 26 HIS HA H 1 4.9 . . 1 . . . . . . . . 4001 1 156 . 1 1 26 26 HIS HB2 H 1 3.68 . . 2 . . . . . . . . 4001 1 157 . 1 1 26 26 HIS HB3 H 1 3.25 . . 2 . . . . . . . . 4001 1 158 . 1 1 26 26 HIS H H 1 9.14 . . 1 . . . . . . . . 4001 1 159 . 1 1 26 26 HIS C C 13 173.85 . . 1 . . . . . . . . 4001 1 160 . 1 1 26 26 HIS CA C 13 55.1 . . 1 . . . . . . . . 4001 1 161 . 1 1 26 26 HIS CB C 13 29.5 . . 1 . . . . . . . . 4001 1 162 . 1 1 26 26 HIS N N 15 117.5 . . 1 . . . . . . . . 4001 1 163 . 1 1 27 27 LYS HA H 1 5.37 . . 1 . . . . . . . . 4001 1 164 . 1 1 27 27 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 4001 1 165 . 1 1 27 27 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 4001 1 166 . 1 1 27 27 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 4001 1 167 . 1 1 27 27 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4001 1 168 . 1 1 27 27 LYS HD2 H 1 1.51 . . 1 . . . . . . . . 4001 1 169 . 1 1 27 27 LYS HD3 H 1 1.51 . . 1 . . . . . . . . 4001 1 170 . 1 1 27 27 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4001 1 171 . 1 1 27 27 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4001 1 172 . 1 1 27 27 LYS H H 1 7.69 . . 1 . . . . . . . . 4001 1 173 . 1 1 27 27 LYS C C 13 173.85 . . 1 . . . . . . . . 4001 1 174 . 1 1 27 27 LYS CA C 13 54.31 . . 1 . . . . . . . . 4001 1 175 . 1 1 27 27 LYS CB C 13 37.79 . . 1 . . . . . . . . 4001 1 176 . 1 1 27 27 LYS CG C 13 24.83 . . 1 . . . . . . . . 4001 1 177 . 1 1 27 27 LYS CD C 13 29.01 . . 1 . . . . . . . . 4001 1 178 . 1 1 27 27 LYS CE C 13 42.57 . . 1 . . . . . . . . 4001 1 179 . 1 1 27 27 LYS N N 15 117.59 . . 1 . . . . . . . . 4001 1 180 . 1 1 28 28 LEU HA H 1 4.8 . . 1 . . . . . . . . 4001 1 181 . 1 1 28 28 LEU HB2 H 1 1.51 . . 1 . . . . . . . . 4001 1 182 . 1 1 28 28 LEU HB3 H 1 1.51 . . 1 . . . . . . . . 4001 1 183 . 1 1 28 28 LEU HG H 1 1.26 . . 1 . . . . . . . . 4001 1 184 . 1 1 28 28 LEU HD11 H 1 0.61 . . 1 . . . . . . . . 4001 1 185 . 1 1 28 28 LEU HD12 H 1 0.61 . . 1 . . . . . . . . 4001 1 186 . 1 1 28 28 LEU HD13 H 1 0.61 . . 1 . . . . . . . . 4001 1 187 . 1 1 28 28 LEU HD21 H 1 0.61 . . 1 . . . . . . . . 4001 1 188 . 1 1 28 28 LEU HD22 H 1 0.61 . . 1 . . . . . . . . 4001 1 189 . 1 1 28 28 LEU HD23 H 1 0.61 . . 1 . . . . . . . . 4001 1 190 . 1 1 28 28 LEU H H 1 8.69 . . 1 . . . . . . . . 4001 1 191 . 1 1 28 28 LEU C C 13 176.4 . . 1 . . . . . . . . 4001 1 192 . 1 1 28 28 LEU CA C 13 52.75 . . 1 . . . . . . . . 4001 1 193 . 1 1 28 28 LEU CB C 13 46.07 . . 1 . . . . . . . . 4001 1 194 . 1 1 28 28 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 1 195 . 1 1 28 28 LEU N N 15 120.24 . . 1 . . . . . . . . 4001 1 196 . 1 1 29 29 LYS HA H 1 4.88 . . 1 . . . . . . . . 4001 1 197 . 1 1 29 29 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 4001 1 198 . 1 1 29 29 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 4001 1 199 . 1 1 29 29 LYS HG2 H 1 1.54 . . 1 . . . . . . . . 4001 1 200 . 1 1 29 29 LYS HG3 H 1 1.54 . . 1 . . . . . . . . 4001 1 201 . 1 1 29 29 LYS HD2 H 1 2.35 . . 1 . . . . . . . . 4001 1 202 . 1 1 29 29 LYS HD3 H 1 2.35 . . 1 . . . . . . . . 4001 1 203 . 1 1 29 29 LYS H H 1 9.2 . . 1 . . . . . . . . 4001 1 204 . 1 1 29 29 LYS C C 13 179.31 . . 1 . . . . . . . . 4001 1 205 . 1 1 29 29 LYS CA C 13 56.66 . . 1 . . . . . . . . 4001 1 206 . 1 1 29 29 LYS CB C 13 33.18 . . 1 . . . . . . . . 4001 1 207 . 1 1 29 29 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 1 208 . 1 1 29 29 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 1 209 . 1 1 29 29 LYS CE C 13 42.05 . . 1 . . . . . . . . 4001 1 210 . 1 1 29 29 LYS N N 15 124.35 . . 1 . . . . . . . . 4001 1 211 . 1 1 30 30 LYS HA H 1 3.77 . . 1 . . . . . . . . 4001 1 212 . 1 1 30 30 LYS HB2 H 1 2.3 . . 1 . . . . . . . . 4001 1 213 . 1 1 30 30 LYS HB3 H 1 2.3 . . 1 . . . . . . . . 4001 1 214 . 1 1 30 30 LYS HG2 H 1 1.78 . . 1 . . . . . . . . 4001 1 215 . 1 1 30 30 LYS HG3 H 1 1.78 . . 1 . . . . . . . . 4001 1 216 . 1 1 30 30 LYS H H 1 9.1 . . 1 . . . . . . . . 4001 1 217 . 1 1 30 30 LYS C C 13 178.83 . . 1 . . . . . . . . 4001 1 218 . 1 1 30 30 LYS CA C 13 61.75 . . 1 . . . . . . . . 4001 1 219 . 1 1 30 30 LYS CB C 13 31.34 . . 1 . . . . . . . . 4001 1 220 . 1 1 30 30 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 1 221 . 1 1 30 30 LYS CE C 13 43.09 . . 1 . . . . . . . . 4001 1 222 . 1 1 30 30 LYS N N 15 126.44 . . 1 . . . . . . . . 4001 1 223 . 1 1 31 31 SER HA H 1 4.17 . . 1 . . . . . . . . 4001 1 224 . 1 1 31 31 SER HB2 H 1 3.88 . . 1 . . . . . . . . 4001 1 225 . 1 1 31 31 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4001 1 226 . 1 1 31 31 SER H H 1 9.35 . . 1 . . . . . . . . 4001 1 227 . 1 1 31 31 SER C C 13 177.86 . . 1 . . . . . . . . 4001 1 228 . 1 1 31 31 SER CA C 13 60.77 . . 1 . . . . . . . . 4001 1 229 . 1 1 31 31 SER CB C 13 61.36 . . 1 . . . . . . . . 4001 1 230 . 1 1 31 31 SER N N 15 114.45 . . 1 . . . . . . . . 4001 1 231 . 1 1 32 32 GLU HA H 1 4.31 . . 1 . . . . . . . . 4001 1 232 . 1 1 32 32 GLU HB2 H 1 2.52 . . 2 . . . . . . . . 4001 1 233 . 1 1 32 32 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4001 1 234 . 1 1 32 32 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4001 1 235 . 1 1 32 32 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4001 1 236 . 1 1 32 32 GLU H H 1 7.00 . . 1 . . . . . . . . 4001 1 237 . 1 1 32 32 GLU C C 13 178.34 . . 1 . . . . . . . . 4001 1 238 . 1 1 32 32 GLU CA C 13 58.23 . . 1 . . . . . . . . 4001 1 239 . 1 1 32 32 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 1 240 . 1 1 32 32 GLU CG C 13 37.35 . . 1 . . . . . . . . 4001 1 241 . 1 1 32 32 GLU N N 15 124.11 . . 1 . . . . . . . . 4001 1 242 . 1 1 33 33 LEU HA H 1 4.01 . . 1 . . . . . . . . 4001 1 243 . 1 1 33 33 LEU HB2 H 1 2.16 . . 2 . . . . . . . . 4001 1 244 . 1 1 33 33 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4001 1 245 . 1 1 33 33 LEU HG H 1 1.51 . . 1 . . . . . . . . 4001 1 246 . 1 1 33 33 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4001 1 247 . 1 1 33 33 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4001 1 248 . 1 1 33 33 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4001 1 249 . 1 1 33 33 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4001 1 250 . 1 1 33 33 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4001 1 251 . 1 1 33 33 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4001 1 252 . 1 1 33 33 LEU H H 1 8.39 . . 1 . . . . . . . . 4001 1 253 . 1 1 33 33 LEU C C 13 177.62 . . 1 . . . . . . . . 4001 1 254 . 1 1 33 33 LEU CA C 13 57.05 . . 1 . . . . . . . . 4001 1 255 . 1 1 33 33 LEU CB C 13 40.55 . . 1 . . . . . . . . 4001 1 256 . 1 1 33 33 LEU CG C 13 36.31 . . 1 . . . . . . . . 4001 1 257 . 1 1 33 33 LEU CD1 C 13 27.44 . . 2 . . . . . . . . 4001 1 258 . 1 1 33 33 LEU CD2 C 13 25.35 . . 2 . . . . . . . . 4001 1 259 . 1 1 33 33 LEU N N 15 122.74 . . 1 . . . . . . . . 4001 1 260 . 1 1 34 34 LYS HA H 1 3.49 . . 1 . . . . . . . . 4001 1 261 . 1 1 34 34 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4001 1 262 . 1 1 34 34 LYS HB3 H 1 1.65 . . 2 . . . . . . . . 4001 1 263 . 1 1 34 34 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4001 1 264 . 1 1 34 34 LYS HG3 H 1 1.21 . . 2 . . . . . . . . 4001 1 265 . 1 1 34 34 LYS H H 1 8.05 . . 1 . . . . . . . . 4001 1 266 . 1 1 34 34 LYS C C 13 177.37 . . 1 . . . . . . . . 4001 1 267 . 1 1 34 34 LYS CA C 13 60.57 . . 1 . . . . . . . . 4001 1 268 . 1 1 34 34 LYS CB C 13 32.26 . . 1 . . . . . . . . 4001 1 269 . 1 1 34 34 LYS CG C 13 25.35 . . 1 . . . . . . . . 4001 1 270 . 1 1 34 34 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 1 271 . 1 1 34 34 LYS CE C 13 42.05 . . 1 . . . . . . . . 4001 1 272 . 1 1 34 34 LYS N N 15 120.4 . . 1 . . . . . . . . 4001 1 273 . 1 1 35 35 GLU HA H 1 4.04 . . 1 . . . . . . . . 4001 1 274 . 1 1 35 35 GLU HB2 H 1 2.33 . . 2 . . . . . . . . 4001 1 275 . 1 1 35 35 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4001 1 276 . 1 1 35 35 GLU HG2 H 1 2.46 . . 1 . . . . . . . . 4001 1 277 . 1 1 35 35 GLU HG3 H 1 2.46 . . 1 . . . . . . . . 4001 1 278 . 1 1 35 35 GLU H H 1 6.92 . . 1 . . . . . . . . 4001 1 279 . 1 1 35 35 GLU C C 13 177.86 . . 1 . . . . . . . . 4001 1 280 . 1 1 35 35 GLU CA C 13 59.01 . . 1 . . . . . . . . 4001 1 281 . 1 1 35 35 GLU CB C 13 29.04 . . 1 . . . . . . . . 4001 1 282 . 1 1 35 35 GLU CG C 13 35.79 . . 1 . . . . . . . . 4001 1 283 . 1 1 35 35 GLU N N 15 118.39 . . 1 . . . . . . . . 4001 1 284 . 1 1 36 36 LEU HA H 1 3.58 . . 1 . . . . . . . . 4001 1 285 . 1 1 36 36 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 4001 1 286 . 1 1 36 36 LEU HB3 H 1 0.94 . . 1 . . . . . . . . 4001 1 287 . 1 1 36 36 LEU HG H 1 1.71 . . 1 . . . . . . . . 4001 1 288 . 1 1 36 36 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4001 1 289 . 1 1 36 36 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4001 1 290 . 1 1 36 36 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4001 1 291 . 1 1 36 36 LEU HD21 H 1 0.61 . . 2 . . . . . . . . 4001 1 292 . 1 1 36 36 LEU HD22 H 1 0.61 . . 2 . . . . . . . . 4001 1 293 . 1 1 36 36 LEU HD23 H 1 0.61 . . 2 . . . . . . . . 4001 1 294 . 1 1 36 36 LEU H H 1 8.16 . . 1 . . . . . . . . 4001 1 295 . 1 1 36 36 LEU C C 13 179.56 . . 1 . . . . . . . . 4001 1 296 . 1 1 36 36 LEU CA C 13 59.4 . . 1 . . . . . . . . 4001 1 297 . 1 1 36 36 LEU CB C 13 42.39 . . 1 . . . . . . . . 4001 1 298 . 1 1 36 36 LEU CG C 13 36.83 . . 1 . . . . . . . . 4001 1 299 . 1 1 36 36 LEU CD1 C 13 28.48 . . 2 . . . . . . . . 4001 1 300 . 1 1 36 36 LEU CD2 C 13 23.79 . . 2 . . . . . . . . 4001 1 301 . 1 1 36 36 LEU N N 15 122.25 . . 1 . . . . . . . . 4001 1 302 . 1 1 37 37 ILE HA H 1 3.22 . . 1 . . . . . . . . 4001 1 303 . 1 1 37 37 ILE HB H 1 1.75 . . 1 . . . . . . . . 4001 1 304 . 1 1 37 37 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4001 1 305 . 1 1 37 37 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4001 1 306 . 1 1 37 37 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4001 1 307 . 1 1 37 37 ILE HD11 H 1 0.59 . . 1 . . . . . . . . 4001 1 308 . 1 1 37 37 ILE HD12 H 1 0.59 . . 1 . . . . . . . . 4001 1 309 . 1 1 37 37 ILE HD13 H 1 0.59 . . 1 . . . . . . . . 4001 1 310 . 1 1 37 37 ILE H H 1 8.55 . . 1 . . . . . . . . 4001 1 311 . 1 1 37 37 ILE C C 13 176.64 . . 1 . . . . . . . . 4001 1 312 . 1 1 37 37 ILE CA C 13 66.44 . . 1 . . . . . . . . 4001 1 313 . 1 1 37 37 ILE CB C 13 37.79 . . 1 . . . . . . . . 4001 1 314 . 1 1 37 37 ILE CG1 C 13 20.66 . . 1 . . . . . . . . 4001 1 315 . 1 1 37 37 ILE CG2 C 13 17.53 . . 1 . . . . . . . . 4001 1 316 . 1 1 37 37 ILE CD1 C 13 12.83 . . 1 . . . . . . . . 4001 1 317 . 1 1 37 37 ILE N N 15 121.13 . . 1 . . . . . . . . 4001 1 318 . 1 1 38 38 ASN HA H 1 4.2 . . 1 . . . . . . . . 4001 1 319 . 1 1 38 38 ASN HB2 H 1 2.71 . . 2 . . . . . . . . 4001 1 320 . 1 1 38 38 ASN HB3 H 1 2.57 . . 2 . . . . . . . . 4001 1 321 . 1 1 38 38 ASN H H 1 7.78 . . 1 . . . . . . . . 4001 1 322 . 1 1 38 38 ASN HD21 H 1 7.18 . . 2 . . . . . . . . 4001 1 323 . 1 1 38 38 ASN HD22 H 1 6.31 . . 2 . . . . . . . . 4001 1 324 . 1 1 38 38 ASN C C 13 177.01 . . 1 . . . . . . . . 4001 1 325 . 1 1 38 38 ASN CA C 13 55.88 . . 1 . . . . . . . . 4001 1 326 . 1 1 38 38 ASN CB C 13 38.71 . . 1 . . . . . . . . 4001 1 327 . 1 1 38 38 ASN N N 15 115.65 . . 1 . . . . . . . . 4001 1 328 . 1 1 38 38 ASN ND2 N 15 109.86 . . 1 . . . . . . . . 4001 1 329 . 1 1 39 39 ASN HA H 1 4.66 . . 1 . . . . . . . . 4001 1 330 . 1 1 39 39 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 4001 1 331 . 1 1 39 39 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4001 1 332 . 1 1 39 39 ASN H H 1 8.32 . . 1 . . . . . . . . 4001 1 333 . 1 1 39 39 ASN HD21 H 1 7.56 . . 2 . . . . . . . . 4001 1 334 . 1 1 39 39 ASN HD22 H 1 7.06 . . 2 . . . . . . . . 4001 1 335 . 1 1 39 39 ASN C C 13 177.86 . . 1 . . . . . . . . 4001 1 336 . 1 1 39 39 ASN CA C 13 55.1 . . 1 . . . . . . . . 4001 1 337 . 1 1 39 39 ASN CB C 13 39.63 . . 1 . . . . . . . . 4001 1 338 . 1 1 39 39 ASN N N 15 115.09 . . 1 . . . . . . . . 4001 1 339 . 1 1 39 39 ASN ND2 N 15 112.03 . . 1 . . . . . . . . 4001 1 340 . 1 1 40 40 GLU HA H 1 4.83 . . 1 . . . . . . . . 4001 1 341 . 1 1 40 40 GLU HB2 H 1 1.73 . . 1 . . . . . . . . 4001 1 342 . 1 1 40 40 GLU HB3 H 1 1.73 . . 1 . . . . . . . . 4001 1 343 . 1 1 40 40 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 1 344 . 1 1 40 40 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 1 345 . 1 1 40 40 GLU H H 1 9.14 . . 1 . . . . . . . . 4001 1 346 . 1 1 40 40 GLU C C 13 177.86 . . 1 . . . . . . . . 4001 1 347 . 1 1 40 40 GLU CA C 13 55.88 . . 1 . . . . . . . . 4001 1 348 . 1 1 40 40 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 1 349 . 1 1 40 40 GLU CG C 13 34.22 . . 1 . . . . . . . . 4001 1 350 . 1 1 40 40 GLU N N 15 115.01 . . 1 . . . . . . . . 4001 1 351 . 1 1 41 41 LEU HA H 1 5.02 . . 1 . . . . . . . . 4001 1 352 . 1 1 41 41 LEU HB2 H 1 2.05 . . 1 . . . . . . . . 4001 1 353 . 1 1 41 41 LEU HB3 H 1 2.05 . . 1 . . . . . . . . 4001 1 354 . 1 1 41 41 LEU HG H 1 1.46 . . 1 . . . . . . . . 4001 1 355 . 1 1 41 41 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4001 1 356 . 1 1 41 41 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4001 1 357 . 1 1 41 41 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4001 1 358 . 1 1 41 41 LEU HD21 H 1 1.78 . . 1 . . . . . . . . 4001 1 359 . 1 1 41 41 LEU HD22 H 1 1.78 . . 1 . . . . . . . . 4001 1 360 . 1 1 41 41 LEU HD23 H 1 1.78 . . 1 . . . . . . . . 4001 1 361 . 1 1 41 41 LEU H H 1 7.81 . . 1 . . . . . . . . 4001 1 362 . 1 1 41 41 LEU C C 13 177.37 . . 1 . . . . . . . . 4001 1 363 . 1 1 41 41 LEU CA C 13 53.92 . . 1 . . . . . . . . 4001 1 364 . 1 1 41 41 LEU CB C 13 40.09 . . 1 . . . . . . . . 4001 1 365 . 1 1 41 41 LEU CG C 13 26.92 . . 1 . . . . . . . . 4001 1 366 . 1 1 41 41 LEU CD1 C 13 26.13 . . 1 . . . . . . . . 4001 1 367 . 1 1 41 41 LEU CD2 C 13 25.32 . . 1 . . . . . . . . 4001 1 368 . 1 1 41 41 LEU N N 15 119.03 . . 1 . . . . . . . . 4001 1 369 . 1 1 48 48 ILE HA H 1 3.93 . . 1 . . . . . . . . 4001 1 370 . 1 1 48 48 ILE HB H 1 1.75 . . 1 . . . . . . . . 4001 1 371 . 1 1 48 48 ILE HG12 H 1 0.75 . . 1 . . . . . . . . 4001 1 372 . 1 1 48 48 ILE HG13 H 1 0.75 . . 1 . . . . . . . . 4001 1 373 . 1 1 48 48 ILE H H 1 8.11 . . 1 . . . . . . . . 4001 1 374 . 1 1 48 48 ILE C C 13 176.4 . . 1 . . . . . . . . 4001 1 375 . 1 1 48 48 ILE CA C 13 62.92 . . 1 . . . . . . . . 4001 1 376 . 1 1 48 48 ILE CB C 13 39.17 . . 1 . . . . . . . . 4001 1 377 . 1 1 48 48 ILE CG1 C 13 22.74 . . 1 . . . . . . . . 4001 1 378 . 1 1 48 48 ILE CG2 C 13 17.53 . . 1 . . . . . . . . 4001 1 379 . 1 1 48 48 ILE N N 15 122.25 . . 1 . . . . . . . . 4001 1 380 . 1 1 49 49 LYS HA H 1 4.47 . . 1 . . . . . . . . 4001 1 381 . 1 1 49 49 LYS HB2 H 1 1.75 . . 1 . . . . . . . . 4001 1 382 . 1 1 49 49 LYS HB3 H 1 1.75 . . 1 . . . . . . . . 4001 1 383 . 1 1 49 49 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4001 1 384 . 1 1 49 49 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4001 1 385 . 1 1 49 49 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 4001 1 386 . 1 1 49 49 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 4001 1 387 . 1 1 49 49 LYS HE2 H 1 3.9 . . 1 . . . . . . . . 4001 1 388 . 1 1 49 49 LYS HE3 H 1 3.9 . . 1 . . . . . . . . 4001 1 389 . 1 1 49 49 LYS H H 1 8.76 . . 1 . . . . . . . . 4001 1 390 . 1 1 49 49 LYS C C 13 176.77 . . 1 . . . . . . . . 4001 1 391 . 1 1 49 49 LYS CA C 13 56.66 . . 1 . . . . . . . . 4001 1 392 . 1 1 49 49 LYS CB C 13 32.68 . . 1 . . . . . . . . 4001 1 393 . 1 1 49 49 LYS CG C 13 24.83 . . 1 . . . . . . . . 4001 1 394 . 1 1 49 49 LYS CD C 13 28.48 . . 1 . . . . . . . . 4001 1 395 . 1 1 49 49 LYS N N 15 127.57 . . 1 . . . . . . . . 4001 1 396 . 1 1 50 50 GLU HA H 1 4.8 . . 1 . . . . . . . . 4001 1 397 . 1 1 50 50 GLU HB2 H 1 2.28 . . 2 . . . . . . . . 4001 1 398 . 1 1 50 50 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 4001 1 399 . 1 1 50 50 GLU HG2 H 1 2.28 . . 2 . . . . . . . . 4001 1 400 . 1 1 50 50 GLU HG3 H 1 2.13 . . 2 . . . . . . . . 4001 1 401 . 1 1 50 50 GLU H H 1 7.74 . . 1 . . . . . . . . 4001 1 402 . 1 1 50 50 GLU C C 13 175.67 . . 1 . . . . . . . . 4001 1 403 . 1 1 50 50 GLU CA C 13 53.92 . . 1 . . . . . . . . 4001 1 404 . 1 1 50 50 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 1 405 . 1 1 50 50 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 1 406 . 1 1 50 50 GLU N N 15 120.08 . . 1 . . . . . . . . 4001 1 407 . 1 1 51 51 GLN HA H 1 3.66 . . 1 . . . . . . . . 4001 1 408 . 1 1 51 51 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4001 1 409 . 1 1 51 51 GLN HB3 H 1 1.94 . . 2 . . . . . . . . 4001 1 410 . 1 1 51 51 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4001 1 411 . 1 1 51 51 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4001 1 412 . 1 1 51 51 GLN H H 1 8.53 . . 1 . . . . . . . . 4001 1 413 . 1 1 51 51 GLN HE21 H 1 7.91 . . 2 . . . . . . . . 4001 1 414 . 1 1 51 51 GLN HE22 H 1 6.59 . . 2 . . . . . . . . 4001 1 415 . 1 1 51 51 GLN C C 13 177.37 . . 1 . . . . . . . . 4001 1 416 . 1 1 51 51 GLN CA C 13 58.62 . . 1 . . . . . . . . 4001 1 417 . 1 1 51 51 GLN CB C 13 28.58 . . 1 . . . . . . . . 4001 1 418 . 1 1 51 51 GLN CG C 13 33.18 . . 1 . . . . . . . . 4001 1 419 . 1 1 51 51 GLN N N 15 126.2 . . 1 . . . . . . . . 4001 1 420 . 1 1 51 51 GLN NE2 N 15 114.53 . . 1 . . . . . . . . 4001 1 421 . 1 1 52 52 GLU HA H 1 4.09 . . 1 . . . . . . . . 4001 1 422 . 1 1 52 52 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4001 1 423 . 1 1 52 52 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4001 1 424 . 1 1 52 52 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4001 1 425 . 1 1 52 52 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4001 1 426 . 1 1 52 52 GLU H H 1 9.15 . . 1 . . . . . . . . 4001 1 427 . 1 1 52 52 GLU C C 13 178.95 . . 1 . . . . . . . . 4001 1 428 . 1 1 52 52 GLU CA C 13 59.4 . . 1 . . . . . . . . 4001 1 429 . 1 1 52 52 GLU CB C 13 29.04 . . 1 . . . . . . . . 4001 1 430 . 1 1 52 52 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 1 431 . 1 1 52 52 GLU N N 15 116.86 . . 1 . . . . . . . . 4001 1 432 . 1 1 53 53 VAL HA H 1 3.63 . . 1 . . . . . . . . 4001 1 433 . 1 1 53 53 VAL HB H 1 2.11 . . 1 . . . . . . . . 4001 1 434 . 1 1 53 53 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 4001 1 435 . 1 1 53 53 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 4001 1 436 . 1 1 53 53 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 4001 1 437 . 1 1 53 53 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4001 1 438 . 1 1 53 53 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4001 1 439 . 1 1 53 53 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4001 1 440 . 1 1 53 53 VAL H H 1 7.03 . . 1 . . . . . . . . 4001 1 441 . 1 1 53 53 VAL C C 13 177.86 . . 1 . . . . . . . . 4001 1 442 . 1 1 53 53 VAL CA C 13 66.05 . . 1 . . . . . . . . 4001 1 443 . 1 1 53 53 VAL CB C 13 31.8 . . 1 . . . . . . . . 4001 1 444 . 1 1 53 53 VAL CG1 C 13 22.22 . . 2 . . . . . . . . 4001 1 445 . 1 1 53 53 VAL CG2 C 13 20.66 . . 2 . . . . . . . . 4001 1 446 . 1 1 53 53 VAL N N 15 118.47 . . 1 . . . . . . . . 4001 1 447 . 1 1 54 54 VAL HA H 1 3.36 . . 1 . . . . . . . . 4001 1 448 . 1 1 54 54 VAL HB H 1 2.08 . . 1 . . . . . . . . 4001 1 449 . 1 1 54 54 VAL HG11 H 1 0.9 . . 2 . . . . . . . . 4001 1 450 . 1 1 54 54 VAL HG12 H 1 0.9 . . 2 . . . . . . . . 4001 1 451 . 1 1 54 54 VAL HG13 H 1 0.9 . . 2 . . . . . . . . 4001 1 452 . 1 1 54 54 VAL HG21 H 1 0.96 . . 2 . . . . . . . . 4001 1 453 . 1 1 54 54 VAL HG22 H 1 0.96 . . 2 . . . . . . . . 4001 1 454 . 1 1 54 54 VAL HG23 H 1 0.96 . . 2 . . . . . . . . 4001 1 455 . 1 1 54 54 VAL H H 1 6.78 . . 1 . . . . . . . . 4001 1 456 . 1 1 54 54 VAL C C 13 177.49 . . 1 . . . . . . . . 4001 1 457 . 1 1 54 54 VAL CA C 13 67.62 . . 1 . . . . . . . . 4001 1 458 . 1 1 54 54 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 1 459 . 1 1 54 54 VAL CG1 C 13 24.31 . . 2 . . . . . . . . 4001 1 460 . 1 1 54 54 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 1 461 . 1 1 54 54 VAL N N 15 119.2 . . 1 . . . . . . . . 4001 1 462 . 1 1 55 55 ASP HA H 1 4.28 . . 1 . . . . . . . . 4001 1 463 . 1 1 55 55 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 4001 1 464 . 1 1 55 55 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 4001 1 465 . 1 1 55 55 ASP H H 1 8.64 . . 1 . . . . . . . . 4001 1 466 . 1 1 55 55 ASP C C 13 178.95 . . 1 . . . . . . . . 4001 1 467 . 1 1 55 55 ASP CA C 13 57.44 . . 1 . . . . . . . . 4001 1 468 . 1 1 55 55 ASP CB C 13 39.63 . . 1 . . . . . . . . 4001 1 469 . 1 1 55 55 ASP N N 15 120.08 . . 1 . . . . . . . . 4001 1 470 . 1 1 56 56 LYS HA H 1 4.15 . . 1 . . . . . . . . 4001 1 471 . 1 1 56 56 LYS HB2 H 1 1.97 . . 1 . . . . . . . . 4001 1 472 . 1 1 56 56 LYS HB3 H 1 1.97 . . 1 . . . . . . . . 4001 1 473 . 1 1 56 56 LYS HG2 H 1 1.51 . . 1 . . . . . . . . 4001 1 474 . 1 1 56 56 LYS HG3 H 1 1.51 . . 1 . . . . . . . . 4001 1 475 . 1 1 56 56 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4001 1 476 . 1 1 56 56 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4001 1 477 . 1 1 56 56 LYS H H 1 7.77 . . 1 . . . . . . . . 4001 1 478 . 1 1 56 56 LYS C C 13 179.92 . . 1 . . . . . . . . 4001 1 479 . 1 1 56 56 LYS CA C 13 58.62 . . 1 . . . . . . . . 4001 1 480 . 1 1 56 56 LYS CB C 13 31.34 . . 1 . . . . . . . . 4001 1 481 . 1 1 56 56 LYS CG C 13 24.83 . . 1 . . . . . . . . 4001 1 482 . 1 1 56 56 LYS CD C 13 28.48 . . 1 . . . . . . . . 4001 1 483 . 1 1 56 56 LYS CE C 13 42.05 . . 1 . . . . . . . . 4001 1 484 . 1 1 56 56 LYS N N 15 120.08 . . 1 . . . . . . . . 4001 1 485 . 1 1 57 57 VAL HA H 1 3.6 . . 1 . . . . . . . . 4001 1 486 . 1 1 57 57 VAL HB H 1 2.35 . . 1 . . . . . . . . 4001 1 487 . 1 1 57 57 VAL HG11 H 1 1.21 . . 2 . . . . . . . . 4001 1 488 . 1 1 57 57 VAL HG12 H 1 1.21 . . 2 . . . . . . . . 4001 1 489 . 1 1 57 57 VAL HG13 H 1 1.21 . . 2 . . . . . . . . 4001 1 490 . 1 1 57 57 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4001 1 491 . 1 1 57 57 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4001 1 492 . 1 1 57 57 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4001 1 493 . 1 1 57 57 VAL H H 1 8.05 . . 1 . . . . . . . . 4001 1 494 . 1 1 57 57 VAL C C 13 177.37 . . 1 . . . . . . . . 4001 1 495 . 1 1 57 57 VAL CA C 13 67.62 . . 1 . . . . . . . . 4001 1 496 . 1 1 57 57 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 1 497 . 1 1 57 57 VAL CG1 C 13 23.79 . . 2 . . . . . . . . 4001 1 498 . 1 1 57 57 VAL CG2 C 13 20.66 . . 2 . . . . . . . . 4001 1 499 . 1 1 57 57 VAL N N 15 122.98 . . 1 . . . . . . . . 4001 1 500 . 1 1 58 58 MET HA H 1 4.03 . . 1 . . . . . . . . 4001 1 501 . 1 1 58 58 MET HB2 H 1 2.33 . . 2 . . . . . . . . 4001 1 502 . 1 1 58 58 MET HB3 H 1 1.89 . . 2 . . . . . . . . 4001 1 503 . 1 1 58 58 MET HG2 H 1 2.84 . . 1 . . . . . . . . 4001 1 504 . 1 1 58 58 MET HG3 H 1 2.84 . . 1 . . . . . . . . 4001 1 505 . 1 1 58 58 MET HE1 H 1 3.1 . . 1 . . . . . . . . 4001 1 506 . 1 1 58 58 MET HE2 H 1 3.1 . . 1 . . . . . . . . 4001 1 507 . 1 1 58 58 MET HE3 H 1 3.1 . . 1 . . . . . . . . 4001 1 508 . 1 1 58 58 MET H H 1 8.3 . . 1 . . . . . . . . 4001 1 509 . 1 1 58 58 MET C C 13 178.46 . . 1 . . . . . . . . 4001 1 510 . 1 1 58 58 MET CA C 13 57.44 . . 1 . . . . . . . . 4001 1 511 . 1 1 58 58 MET CB C 13 30.88 . . 1 . . . . . . . . 4001 1 512 . 1 1 58 58 MET CG C 13 33.18 . . 1 . . . . . . . . 4001 1 513 . 1 1 58 58 MET CE C 13 39.44 . . 1 . . . . . . . . 4001 1 514 . 1 1 58 58 MET N N 15 116.46 . . 1 . . . . . . . . 4001 1 515 . 1 1 59 59 GLU HA H 1 4.04 . . 1 . . . . . . . . 4001 1 516 . 1 1 59 59 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 4001 1 517 . 1 1 59 59 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 4001 1 518 . 1 1 59 59 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4001 1 519 . 1 1 59 59 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4001 1 520 . 1 1 59 59 GLU H H 1 8.27 . . 1 . . . . . . . . 4001 1 521 . 1 1 59 59 GLU C C 13 179.19 . . 1 . . . . . . . . 4001 1 522 . 1 1 59 59 GLU CA C 13 59.4 . . 1 . . . . . . . . 4001 1 523 . 1 1 59 59 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 1 524 . 1 1 59 59 GLU CG C 13 36.31 . . 1 . . . . . . . . 4001 1 525 . 1 1 59 59 GLU N N 15 118.87 . . 1 . . . . . . . . 4001 1 526 . 1 1 60 60 THR HA H 1 3.98 . . 1 . . . . . . . . 4001 1 527 . 1 1 60 60 THR HB H 1 4.42 . . 1 . . . . . . . . 4001 1 528 . 1 1 60 60 THR HG21 H 1 1.37 . . 1 . . . . . . . . 4001 1 529 . 1 1 60 60 THR HG22 H 1 1.37 . . 1 . . . . . . . . 4001 1 530 . 1 1 60 60 THR HG23 H 1 1.37 . . 1 . . . . . . . . 4001 1 531 . 1 1 60 60 THR H H 1 8.01 . . 1 . . . . . . . . 4001 1 532 . 1 1 60 60 THR C C 13 176.77 . . 1 . . . . . . . . 4001 1 533 . 1 1 60 60 THR CA C 13 66.44 . . 1 . . . . . . . . 4001 1 534 . 1 1 60 60 THR CB C 13 69.09 . . 1 . . . . . . . . 4001 1 535 . 1 1 60 60 THR CG2 C 13 21.52 . . 1 . . . . . . . . 4001 1 536 . 1 1 60 60 THR N N 15 116.46 . . 1 . . . . . . . . 4001 1 537 . 1 1 61 61 LEU HA H 1 3.85 . . 1 . . . . . . . . 4001 1 538 . 1 1 61 61 LEU HB2 H 1 1.7 . . 2 . . . . . . . . 4001 1 539 . 1 1 61 61 LEU HB3 H 1 1.24 . . 2 . . . . . . . . 4001 1 540 . 1 1 61 61 LEU HG H 1 1.7 . . 1 . . . . . . . . 4001 1 541 . 1 1 61 61 LEU HD11 H 1 0.39 . . 2 . . . . . . . . 4001 1 542 . 1 1 61 61 LEU HD12 H 1 0.39 . . 2 . . . . . . . . 4001 1 543 . 1 1 61 61 LEU HD13 H 1 0.39 . . 2 . . . . . . . . 4001 1 544 . 1 1 61 61 LEU HD21 H 1 0.07 . . 2 . . . . . . . . 4001 1 545 . 1 1 61 61 LEU HD22 H 1 0.07 . . 2 . . . . . . . . 4001 1 546 . 1 1 61 61 LEU HD23 H 1 0.07 . . 2 . . . . . . . . 4001 1 547 . 1 1 61 61 LEU H H 1 7.81 . . 1 . . . . . . . . 4001 1 548 . 1 1 61 61 LEU C C 13 177.98 . . 1 . . . . . . . . 4001 1 549 . 1 1 61 61 LEU CA C 13 57.44 . . 1 . . . . . . . . 4001 1 550 . 1 1 61 61 LEU CB C 13 40.09 . . 1 . . . . . . . . 4001 1 551 . 1 1 61 61 LEU CG C 13 25.35 . . 1 . . . . . . . . 4001 1 552 . 1 1 61 61 LEU CD1 C 13 21.7 . . 1 . . . . . . . . 4001 1 553 . 1 1 61 61 LEU CD2 C 13 21.7 . . 1 . . . . . . . . 4001 1 554 . 1 1 61 61 LEU N N 15 121.21 . . 1 . . . . . . . . 4001 1 555 . 1 1 62 62 ASP HA H 1 4.39 . . 1 . . . . . . . . 4001 1 556 . 1 1 62 62 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 4001 1 557 . 1 1 62 62 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 4001 1 558 . 1 1 62 62 ASP H H 1 7.74 . . 1 . . . . . . . . 4001 1 559 . 1 1 62 62 ASP C C 13 178.71 . . 1 . . . . . . . . 4001 1 560 . 1 1 62 62 ASP CA C 13 55.88 . . 1 . . . . . . . . 4001 1 561 . 1 1 62 62 ASP CB C 13 41.01 . . 1 . . . . . . . . 4001 1 562 . 1 1 62 62 ASP N N 15 116.78 . . 1 . . . . . . . . 4001 1 563 . 1 1 63 63 GLU HA H 1 4.12 . . 1 . . . . . . . . 4001 1 564 . 1 1 63 63 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4001 1 565 . 1 1 63 63 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4001 1 566 . 1 1 63 63 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4001 1 567 . 1 1 63 63 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4001 1 568 . 1 1 63 63 GLU H H 1 7.78 . . 1 . . . . . . . . 4001 1 569 . 1 1 63 63 GLU C C 13 176.52 . . 1 . . . . . . . . 4001 1 570 . 1 1 63 63 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 1 571 . 1 1 63 63 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 1 572 . 1 1 63 63 GLU CG C 13 36.31 . . 1 . . . . . . . . 4001 1 573 . 1 1 63 63 GLU N N 15 119.76 . . 1 . . . . . . . . 4001 1 574 . 1 1 64 64 ASP HA H 1 5.02 . . 1 . . . . . . . . 4001 1 575 . 1 1 64 64 ASP HB2 H 1 2.57 . . 1 . . . . . . . . 4001 1 576 . 1 1 64 64 ASP HB3 H 1 2.57 . . 1 . . . . . . . . 4001 1 577 . 1 1 64 64 ASP H H 1 7.21 . . 1 . . . . . . . . 4001 1 578 . 1 1 64 64 ASP C C 13 177.01 . . 1 . . . . . . . . 4001 1 579 . 1 1 64 64 ASP CA C 13 52.36 . . 1 . . . . . . . . 4001 1 580 . 1 1 64 64 ASP CB C 13 41.17 . . 1 . . . . . . . . 4001 1 581 . 1 1 64 64 ASP N N 15 118.47 . . 1 . . . . . . . . 4001 1 582 . 1 1 65 65 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4001 1 583 . 1 1 65 65 GLY HA3 H 1 3.9 . . 2 . . . . . . . . 4001 1 584 . 1 1 65 65 GLY H H 1 7.91 . . 1 . . . . . . . . 4001 1 585 . 1 1 65 65 GLY C C 13 174.46 . . 1 . . . . . . . . 4001 1 586 . 1 1 65 65 GLY CA C 13 47.66 . . 1 . . . . . . . . 4001 1 587 . 1 1 65 65 GLY N N 15 108.33 . . 1 . . . . . . . . 4001 1 588 . 1 1 66 66 ASP HA H 1 4.88 . . 1 . . . . . . . . 4001 1 589 . 1 1 66 66 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 4001 1 590 . 1 1 66 66 ASP HB3 H 1 2.6 . . 2 . . . . . . . . 4001 1 591 . 1 1 66 66 ASP H H 1 8.09 . . 1 . . . . . . . . 4001 1 592 . 1 1 66 66 ASP C C 13 177.37 . . 1 . . . . . . . . 4001 1 593 . 1 1 66 66 ASP CA C 13 54.31 . . 1 . . . . . . . . 4001 1 594 . 1 1 66 66 ASP CB C 13 41.47 . . 1 . . . . . . . . 4001 1 595 . 1 1 66 66 ASP N N 15 115.89 . . 1 . . . . . . . . 4001 1 596 . 1 1 67 67 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 4001 1 597 . 1 1 67 67 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 4001 1 598 . 1 1 67 67 GLY H H 1 8.09 . . 1 . . . . . . . . 4001 1 599 . 1 1 67 67 GLY C C 13 172.88 . . 1 . . . . . . . . 4001 1 600 . 1 1 67 67 GLY CA C 13 44.92 . . 1 . . . . . . . . 4001 1 601 . 1 1 67 67 GLY N N 15 109.86 . . 1 . . . . . . . . 4001 1 602 . 1 1 68 68 GLU HA H 1 5.07 . . 1 . . . . . . . . 4001 1 603 . 1 1 68 68 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 1 604 . 1 1 68 68 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 1 605 . 1 1 68 68 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4001 1 606 . 1 1 68 68 GLU HG3 H 1 2.03 . . 2 . . . . . . . . 4001 1 607 . 1 1 68 68 GLU H H 1 8.48 . . 1 . . . . . . . . 4001 1 608 . 1 1 68 68 GLU C C 13 176.77 . . 1 . . . . . . . . 4001 1 609 . 1 1 68 68 GLU CA C 13 55.49 . . 1 . . . . . . . . 4001 1 610 . 1 1 68 68 GLU CB C 13 33.64 . . 1 . . . . . . . . 4001 1 611 . 1 1 68 68 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 1 612 . 1 1 68 68 GLU N N 15 119.03 . . 1 . . . . . . . . 4001 1 613 . 1 1 69 69 CYS HA H 1 5.18 . . 1 . . . . . . . . 4001 1 614 . 1 1 69 69 CYS HB2 H 1 3.11 . . 2 . . . . . . . . 4001 1 615 . 1 1 69 69 CYS HB3 H 1 2.84 . . 2 . . . . . . . . 4001 1 616 . 1 1 69 69 CYS H H 1 9.38 . . 1 . . . . . . . . 4001 1 617 . 1 1 69 69 CYS C C 13 173.61 . . 1 . . . . . . . . 4001 1 618 . 1 1 69 69 CYS CA C 13 57.46 . . 1 . . . . . . . . 4001 1 619 . 1 1 69 69 CYS CB C 13 31.34 . . 1 . . . . . . . . 4001 1 620 . 1 1 69 69 CYS N N 15 120.08 . . 1 . . . . . . . . 4001 1 621 . 1 1 70 70 ASP HA H 1 5.34 . . 1 . . . . . . . . 4001 1 622 . 1 1 70 70 ASP HB2 H 1 3.55 . . 2 . . . . . . . . 4001 1 623 . 1 1 70 70 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 4001 1 624 . 1 1 70 70 ASP H H 1 8.58 . . 1 . . . . . . . . 4001 1 625 . 1 1 70 70 ASP C C 13 176.04 . . 1 . . . . . . . . 4001 1 626 . 1 1 70 70 ASP CA C 13 51.58 . . 1 . . . . . . . . 4001 1 627 . 1 1 70 70 ASP CB C 13 42.39 . . 1 . . . . . . . . 4001 1 628 . 1 1 70 70 ASP N N 15 122.82 . . 1 . . . . . . . . 4001 1 629 . 1 1 71 71 PHE HA H 1 3.39 . . 1 . . . . . . . . 4001 1 630 . 1 1 71 71 PHE HB2 H 1 2.6 . . 1 . . . . . . . . 4001 1 631 . 1 1 71 71 PHE HB3 H 1 2.6 . . 1 . . . . . . . . 4001 1 632 . 1 1 71 71 PHE H H 1 9.17 . . 1 . . . . . . . . 4001 1 633 . 1 1 71 71 PHE C C 13 176.77 . . 1 . . . . . . . . 4001 1 634 . 1 1 71 71 PHE CA C 13 61.8 . . 1 . . . . . . . . 4001 1 635 . 1 1 71 71 PHE CB C 13 40.09 . . 1 . . . . . . . . 4001 1 636 . 1 1 71 71 PHE N N 15 119.76 . . 1 . . . . . . . . 4001 1 637 . 1 1 72 72 GLN HA H 1 3.55 . . 1 . . . . . . . . 4001 1 638 . 1 1 72 72 GLN HB2 H 1 2.13 . . 1 . . . . . . . . 4001 1 639 . 1 1 72 72 GLN HB3 H 1 2.13 . . 1 . . . . . . . . 4001 1 640 . 1 1 72 72 GLN HG2 H 1 2.3 . . 1 . . . . . . . . 4001 1 641 . 1 1 72 72 GLN HG3 H 1 2.3 . . 1 . . . . . . . . 4001 1 642 . 1 1 72 72 GLN H H 1 7.93 . . 1 . . . . . . . . 4001 1 643 . 1 1 72 72 GLN HE21 H 1 7.32 . . 2 . . . . . . . . 4001 1 644 . 1 1 72 72 GLN HE22 H 1 6.7 . . 2 . . . . . . . . 4001 1 645 . 1 1 72 72 GLN C C 13 178.71 . . 1 . . . . . . . . 4001 1 646 . 1 1 72 72 GLN CA C 13 59.4 . . 1 . . . . . . . . 4001 1 647 . 1 1 72 72 GLN CB C 13 28.12 . . 1 . . . . . . . . 4001 1 648 . 1 1 72 72 GLN CG C 13 34.22 . . 1 . . . . . . . . 4001 1 649 . 1 1 72 72 GLN N N 15 117.67 . . 1 . . . . . . . . 4001 1 650 . 1 1 72 72 GLN NE2 N 15 111.23 . . 1 . . . . . . . . 4001 1 651 . 1 1 73 73 GLU HA H 1 4.01 . . 1 . . . . . . . . 4001 1 652 . 1 1 73 73 GLU HB2 H 1 2.35 . . 2 . . . . . . . . 4001 1 653 . 1 1 73 73 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4001 1 654 . 1 1 73 73 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 4001 1 655 . 1 1 73 73 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 4001 1 656 . 1 1 73 73 GLU H H 1 8.33 . . 1 . . . . . . . . 4001 1 657 . 1 1 73 73 GLU C C 13 178.71 . . 1 . . . . . . . . 4001 1 658 . 1 1 73 73 GLU CA C 13 59.4 . . 1 . . . . . . . . 4001 1 659 . 1 1 73 73 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 1 660 . 1 1 73 73 GLU CG C 13 37.35 . . 1 . . . . . . . . 4001 1 661 . 1 1 73 73 GLU N N 15 122.42 . . 1 . . . . . . . . 4001 1 662 . 1 1 74 74 PHE HA H 1 4.39 . . 1 . . . . . . . . 4001 1 663 . 1 1 74 74 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 4001 1 664 . 1 1 74 74 PHE HB3 H 1 3.22 . . 2 . . . . . . . . 4001 1 665 . 1 1 74 74 PHE H H 1 8.62 . . 1 . . . . . . . . 4001 1 666 . 1 1 74 74 PHE C C 13 175.92 . . 1 . . . . . . . . 4001 1 667 . 1 1 74 74 PHE CA C 13 60.57 . . 1 . . . . . . . . 4001 1 668 . 1 1 74 74 PHE CB C 13 38.25 . . 1 . . . . . . . . 4001 1 669 . 1 1 74 74 PHE N N 15 121.77 . . 1 . . . . . . . . 4001 1 670 . 1 1 75 75 MET HA H 1 3.68 . . 1 . . . . . . . . 4001 1 671 . 1 1 75 75 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4001 1 672 . 1 1 75 75 MET HB3 H 1 1.48 . . 2 . . . . . . . . 4001 1 673 . 1 1 75 75 MET HG2 H 1 1.72 . . 1 . . . . . . . . 4001 1 674 . 1 1 75 75 MET HG3 H 1 1.72 . . 1 . . . . . . . . 4001 1 675 . 1 1 75 75 MET H H 1 8.00 . . 1 . . . . . . . . 4001 1 676 . 1 1 75 75 MET C C 13 179.56 . . 1 . . . . . . . . 4001 1 677 . 1 1 75 75 MET CA C 13 55.49 . . 1 . . . . . . . . 4001 1 678 . 1 1 75 75 MET CB C 13 29.96 . . 1 . . . . . . . . 4001 1 679 . 1 1 75 75 MET CG C 13 31.09 . . 1 . . . . . . . . 4001 1 680 . 1 1 75 75 MET N N 15 118.47 . . 1 . . . . . . . . 4001 1 681 . 1 1 76 76 ALA HA H 1 4.01 . . 1 . . . . . . . . 4001 1 682 . 1 1 76 76 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4001 1 683 . 1 1 76 76 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4001 1 684 . 1 1 76 76 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4001 1 685 . 1 1 76 76 ALA H H 1 7.86 . . 1 . . . . . . . . 4001 1 686 . 1 1 76 76 ALA C C 13 180.77 . . 1 . . . . . . . . 4001 1 687 . 1 1 76 76 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 1 688 . 1 1 76 76 ALA CB C 13 17.07 . . 1 . . . . . . . . 4001 1 689 . 1 1 76 76 ALA N N 15 125.88 . . 1 . . . . . . . . 4001 1 690 . 1 1 77 77 PHE HA H 1 4.31 . . 1 . . . . . . . . 4001 1 691 . 1 1 77 77 PHE HB2 H 1 3.06 . . 2 . . . . . . . . 4001 1 692 . 1 1 77 77 PHE HB3 H 1 2.81 . . 2 . . . . . . . . 4001 1 693 . 1 1 77 77 PHE H H 1 7.99 . . 1 . . . . . . . . 4001 1 694 . 1 1 77 77 PHE C C 13 178.59 . . 1 . . . . . . . . 4001 1 695 . 1 1 77 77 PHE CA C 13 62.53 . . 1 . . . . . . . . 4001 1 696 . 1 1 77 77 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 1 697 . 1 1 77 77 PHE N N 15 117.42 . . 1 . . . . . . . . 4001 1 698 . 1 1 78 78 VAL HA H 1 3.44 . . 1 . . . . . . . . 4001 1 699 . 1 1 78 78 VAL HB H 1 1.73 . . 1 . . . . . . . . 4001 1 700 . 1 1 78 78 VAL HG11 H 1 0.48 . . 2 . . . . . . . . 4001 1 701 . 1 1 78 78 VAL HG12 H 1 0.48 . . 2 . . . . . . . . 4001 1 702 . 1 1 78 78 VAL HG13 H 1 0.48 . . 2 . . . . . . . . 4001 1 703 . 1 1 78 78 VAL HG21 H 1 0.77 . . 2 . . . . . . . . 4001 1 704 . 1 1 78 78 VAL HG22 H 1 0.77 . . 2 . . . . . . . . 4001 1 705 . 1 1 78 78 VAL HG23 H 1 0.77 . . 2 . . . . . . . . 4001 1 706 . 1 1 78 78 VAL H H 1 8.44 . . 1 . . . . . . . . 4001 1 707 . 1 1 78 78 VAL C C 13 180.16 . . 1 . . . . . . . . 4001 1 708 . 1 1 78 78 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 1 709 . 1 1 78 78 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 1 710 . 1 1 78 78 VAL CG1 C 13 22.66 . . 2 . . . . . . . . 4001 1 711 . 1 1 78 78 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 1 712 . 1 1 78 78 VAL N N 15 117.75 . . 1 . . . . . . . . 4001 1 713 . 1 1 79 79 SER HA H 1 3.66 . . 1 . . . . . . . . 4001 1 714 . 1 1 79 79 SER HB2 H 1 3.96 . . 1 . . . . . . . . 4001 1 715 . 1 1 79 79 SER HB3 H 1 3.96 . . 1 . . . . . . . . 4001 1 716 . 1 1 79 79 SER H H 1 8.63 . . 1 . . . . . . . . 4001 1 717 . 1 1 79 79 SER C C 13 175.55 . . 1 . . . . . . . . 4001 1 718 . 1 1 79 79 SER CA C 13 63.7 . . 1 . . . . . . . . 4001 1 719 . 1 1 79 79 SER CB C 13 63.7 . . 1 . . . . . . . . 4001 1 720 . 1 1 79 79 SER N N 15 119.84 . . 1 . . . . . . . . 4001 1 721 . 1 1 80 80 MET HA H 1 3.93 . . 1 . . . . . . . . 4001 1 722 . 1 1 80 80 MET HB2 H 1 2.22 . . 2 . . . . . . . . 4001 1 723 . 1 1 80 80 MET HB3 H 1 1.92 . . 2 . . . . . . . . 4001 1 724 . 1 1 80 80 MET HG2 H 1 2.52 . . 2 . . . . . . . . 4001 1 725 . 1 1 80 80 MET HG3 H 1 2.35 . . 2 . . . . . . . . 4001 1 726 . 1 1 80 80 MET H H 1 7.83 . . 1 . . . . . . . . 4001 1 727 . 1 1 80 80 MET C C 13 178.34 . . 1 . . . . . . . . 4001 1 728 . 1 1 80 80 MET CA C 13 59.4 . . 1 . . . . . . . . 4001 1 729 . 1 1 80 80 MET CB C 13 33.18 . . 1 . . . . . . . . 4001 1 730 . 1 1 80 80 MET CG C 13 31.61 . . 1 . . . . . . . . 4001 1 731 . 1 1 80 80 MET N N 15 122.82 . . 1 . . . . . . . . 4001 1 732 . 1 1 81 81 VAL HA H 1 3.39 . . 1 . . . . . . . . 4001 1 733 . 1 1 81 81 VAL HB H 1 2.05 . . 1 . . . . . . . . 4001 1 734 . 1 1 81 81 VAL HG11 H 1 1.1 . . 2 . . . . . . . . 4001 1 735 . 1 1 81 81 VAL HG12 H 1 1.1 . . 2 . . . . . . . . 4001 1 736 . 1 1 81 81 VAL HG13 H 1 1.1 . . 2 . . . . . . . . 4001 1 737 . 1 1 81 81 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4001 1 738 . 1 1 81 81 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4001 1 739 . 1 1 81 81 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4001 1 740 . 1 1 81 81 VAL H H 1 7.8 . . 1 . . . . . . . . 4001 1 741 . 1 1 81 81 VAL C C 13 177.49 . . 1 . . . . . . . . 4001 1 742 . 1 1 81 81 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 1 743 . 1 1 81 81 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 1 744 . 1 1 81 81 VAL CG1 C 13 23.27 . . 1 . . . . . . . . 4001 1 745 . 1 1 81 81 VAL CG2 C 13 23.27 . . 1 . . . . . . . . 4001 1 746 . 1 1 81 81 VAL N N 15 116.94 . . 1 . . . . . . . . 4001 1 747 . 1 1 82 82 THR HA H 1 3.68 . . 1 . . . . . . . . 4001 1 748 . 1 1 82 82 THR HB H 1 4.26 . . 1 . . . . . . . . 4001 1 749 . 1 1 82 82 THR HG21 H 1 1.05 . . 1 . . . . . . . . 4001 1 750 . 1 1 82 82 THR HG22 H 1 1.05 . . 1 . . . . . . . . 4001 1 751 . 1 1 82 82 THR HG23 H 1 1.05 . . 1 . . . . . . . . 4001 1 752 . 1 1 82 82 THR H H 1 8.13 . . 1 . . . . . . . . 4001 1 753 . 1 1 82 82 THR C C 13 176.77 . . 1 . . . . . . . . 4001 1 754 . 1 1 82 82 THR CA C 13 69.18 . . 1 . . . . . . . . 4001 1 755 . 1 1 82 82 THR CB C 13 67.62 . . 1 . . . . . . . . 4001 1 756 . 1 1 82 82 THR CG2 C 13 21.14 . . 1 . . . . . . . . 4001 1 757 . 1 1 82 82 THR N N 15 115.98 . . 1 . . . . . . . . 4001 1 758 . 1 1 83 83 THR HA H 1 3.74 . . 1 . . . . . . . . 4001 1 759 . 1 1 83 83 THR HB H 1 3.28 . . 1 . . . . . . . . 4001 1 760 . 1 1 83 83 THR HG21 H 1 0.59 . . 1 . . . . . . . . 4001 1 761 . 1 1 83 83 THR HG22 H 1 0.59 . . 1 . . . . . . . . 4001 1 762 . 1 1 83 83 THR HG23 H 1 0.59 . . 1 . . . . . . . . 4001 1 763 . 1 1 83 83 THR H H 1 7.87 . . 1 . . . . . . . . 4001 1 764 . 1 1 83 83 THR C C 13 174.34 . . 1 . . . . . . . . 4001 1 765 . 1 1 83 83 THR CA C 13 64.1 . . 1 . . . . . . . . 4001 1 766 . 1 1 83 83 THR CB C 13 68.63 . . 1 . . . . . . . . 4001 1 767 . 1 1 83 83 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4001 1 768 . 1 1 83 83 THR N N 15 111.31 . . 1 . . . . . . . . 4001 1 769 . 1 1 84 84 ALA HA H 1 4.41 . . 1 . . . . . . . . 4001 1 770 . 1 1 84 84 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4001 1 771 . 1 1 84 84 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4001 1 772 . 1 1 84 84 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4001 1 773 . 1 1 84 84 ALA H H 1 7.24 . . 1 . . . . . . . . 4001 1 774 . 1 1 84 84 ALA C C 13 177.49 . . 1 . . . . . . . . 4001 1 775 . 1 1 84 84 ALA CA C 13 52.36 . . 1 . . . . . . . . 4001 1 776 . 1 1 84 84 ALA CB C 13 20.29 . . 1 . . . . . . . . 4001 1 777 . 1 1 84 84 ALA N N 15 121.37 . . 1 . . . . . . . . 4001 1 778 . 1 1 85 85 CYS HA H 1 4.75 . . 1 . . . . . . . . 4001 1 779 . 1 1 85 85 CYS HB2 H 1 2.98 . . 2 . . . . . . . . 4001 1 780 . 1 1 85 85 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 4001 1 781 . 1 1 85 85 CYS H H 1 7.49 . . 1 . . . . . . . . 4001 1 782 . 1 1 85 85 CYS CA C 13 59.79 . . 1 . . . . . . . . 4001 1 783 . 1 1 85 85 CYS CB C 13 29.94 . . 1 . . . . . . . . 4001 1 784 . 1 1 85 85 CYS N N 15 116.14 . . 1 . . . . . . . . 4001 1 785 . 1 1 88 88 PHE HA H 1 3.98 . . 1 . . . . . . . . 4001 1 786 . 1 1 88 88 PHE HB2 H 1 2.41 . . 1 . . . . . . . . 4001 1 787 . 1 1 88 88 PHE HB3 H 1 2.41 . . 1 . . . . . . . . 4001 1 788 . 1 1 88 88 PHE C C 13 175.8 . . 1 . . . . . . . . 4001 1 789 . 1 1 88 88 PHE CA C 13 60.8 . . 1 . . . . . . . . 4001 1 790 . 1 1 88 88 PHE CB C 13 39.63 . . 1 . . . . . . . . 4001 1 791 . 1 1 89 89 PHE HA H 1 3.98 . . 1 . . . . . . . . 4001 1 792 . 1 1 89 89 PHE HB2 H 1 3.3 . . 2 . . . . . . . . 4001 1 793 . 1 1 89 89 PHE HB3 H 1 2.95 . . 2 . . . . . . . . 4001 1 794 . 1 1 89 89 PHE H H 1 7.45 . . 1 . . . . . . . . 4001 1 795 . 1 1 89 89 PHE C C 13 175.43 . . 1 . . . . . . . . 4001 1 796 . 1 1 89 89 PHE CA C 13 58.62 . . 1 . . . . . . . . 4001 1 797 . 1 1 89 89 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 1 798 . 1 1 89 89 PHE N N 15 114.2 . . 1 . . . . . . . . 4001 1 799 . 1 1 90 90 GLU HA H 1 4.17 . . 1 . . . . . . . . 4001 1 800 . 1 1 90 90 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4001 1 801 . 1 1 90 90 GLU HB3 H 1 1.81 . . 2 . . . . . . . . 4001 1 802 . 1 1 90 90 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 4001 1 803 . 1 1 90 90 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4001 1 804 . 1 1 90 90 GLU H H 1 7.56 . . 1 . . . . . . . . 4001 1 805 . 1 1 90 90 GLU C C 13 175.92 . . 1 . . . . . . . . 4001 1 806 . 1 1 90 90 GLU CA C 13 56.66 . . 1 . . . . . . . . 4001 1 807 . 1 1 90 90 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 1 808 . 1 1 90 90 GLU CG C 13 36.31 . . 1 . . . . . . . . 4001 1 809 . 1 1 90 90 GLU N N 15 120.08 . . 1 . . . . . . . . 4001 1 810 . 1 1 91 91 HIS HA H 1 4.66 . . 1 . . . . . . . . 4001 1 811 . 1 1 91 91 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 4001 1 812 . 1 1 91 91 HIS HB3 H 1 3.06 . . 2 . . . . . . . . 4001 1 813 . 1 1 91 91 HIS H H 1 8.08 . . 1 . . . . . . . . 4001 1 814 . 1 1 91 91 HIS C C 13 173.61 . . 1 . . . . . . . . 4001 1 815 . 1 1 91 91 HIS CA C 13 55.1 . . 1 . . . . . . . . 4001 1 816 . 1 1 91 91 HIS CB C 13 29.5 . . 1 . . . . . . . . 4001 1 817 . 1 1 91 91 HIS N N 15 119.44 . . 1 . . . . . . . . 4001 1 818 . 1 1 92 92 GLU HA H 1 4.04 . . 1 . . . . . . . . 4001 1 819 . 1 1 92 92 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 4001 1 820 . 1 1 92 92 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 4001 1 821 . 1 1 92 92 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 4001 1 822 . 1 1 92 92 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4001 1 823 . 1 1 92 92 GLU H H 1 8.09 . . 1 . . . . . . . . 4001 1 824 . 1 1 92 92 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 1 825 . 1 1 92 92 GLU CB C 13 30.88 . . 1 . . . . . . . . 4001 1 826 . 1 1 92 92 GLU CG C 13 36.4 . . 1 . . . . . . . . 4001 1 827 . 1 1 92 92 GLU N N 15 127.41 . . 1 . . . . . . . . 4001 1 stop_ save_ save_chemical_shift_assignment_set_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_two _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments for the protein segment from residues 1 to 15. Multiple resonances were not reported for all residues in this segment. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 2 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 2 2 SER HA H 1 4.66 . . 1 . . . . . . . . 4001 2 2 . 1 1 2 2 SER H H 1 10.23 . . 1 . . . . . . . . 4001 2 3 . 1 1 2 2 SER C C 13 174.7 . . 1 . . . . . . . . 4001 2 4 . 1 1 2 2 SER CA C 13 57.05 . . 1 . . . . . . . . 4001 2 5 . 1 1 2 2 SER CB C 13 65.36 . . 1 . . . . . . . . 4001 2 6 . 1 1 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 2 7 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 2 8 . 1 1 4 4 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4001 2 9 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 2 10 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 2 11 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 2 12 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 2 13 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 2 14 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 2 15 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 2 16 . 1 1 4 4 LEU H H 1 8.94 . . 1 . . . . . . . . 4001 2 17 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 2 18 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 2 19 . 1 1 4 4 LEU CB C 13 41.93 . . 1 . . . . . . . . 4001 2 20 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 2 21 . 1 1 4 4 LEU CD1 C 13 26.92 . . 1 . . . . . . . . 4001 2 22 . 1 1 4 4 LEU CD2 C 13 26.4 . . 1 . . . . . . . . 4001 2 23 . 1 1 4 4 LEU N N 15 121.37 . . 1 . . . . . . . . 4001 2 24 . 1 1 5 5 GLU HA H 1 3.28 . . 1 . . . . . . . . 4001 2 25 . 1 1 5 5 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 2 26 . 1 1 5 5 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 2 27 . 1 1 5 5 GLU H H 1 8.09 . . 1 . . . . . . . . 4001 2 28 . 1 1 5 5 GLU C C 13 178.59 . . 1 . . . . . . . . 4001 2 29 . 1 1 5 5 GLU CA C 13 59.79 . . 1 . . . . . . . . 4001 2 30 . 1 1 5 5 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 2 31 . 1 1 5 5 GLU CG C 13 37.88 . . 1 . . . . . . . . 4001 2 32 . 1 1 5 5 GLU N N 15 120.00 . . 1 . . . . . . . . 4001 2 33 . 1 1 6 6 LYS HA H 1 3.9 . . 1 . . . . . . . . 4001 2 34 . 1 1 6 6 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4001 2 35 . 1 1 6 6 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4001 2 36 . 1 1 6 6 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4001 2 37 . 1 1 6 6 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4001 2 38 . 1 1 6 6 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4001 2 39 . 1 1 6 6 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4001 2 40 . 1 1 6 6 LYS HE2 H 1 2.9 . . 1 . . . . . . . . 4001 2 41 . 1 1 6 6 LYS HE3 H 1 2.9 . . 1 . . . . . . . . 4001 2 42 . 1 1 6 6 LYS H H 1 8.57 . . 1 . . . . . . . . 4001 2 43 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 2 44 . 1 1 6 6 LYS CA C 13 60.31 . . 1 . . . . . . . . 4001 2 45 . 1 1 6 6 LYS CB C 13 32.72 . . 1 . . . . . . . . 4001 2 46 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 2 47 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 2 48 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 2 49 . 1 1 6 6 LYS N N 15 117.5 . . 1 . . . . . . . . 4001 2 50 . 1 1 7 7 ALA HA H 1 4.28 . . 1 . . . . . . . . 4001 2 51 . 1 1 7 7 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4001 2 52 . 1 1 7 7 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4001 2 53 . 1 1 7 7 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4001 2 54 . 1 1 7 7 ALA H H 1 8.04 . . 1 . . . . . . . . 4001 2 55 . 1 1 7 7 ALA C C 13 179.31 . . 1 . . . . . . . . 4001 2 56 . 1 1 7 7 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 2 57 . 1 1 7 7 ALA CB C 13 17.99 . . 1 . . . . . . . . 4001 2 58 . 1 1 7 7 ALA N N 15 123.54 . . 1 . . . . . . . . 4001 2 59 . 1 1 9 9 VAL HA H 1 3.52 . . 1 . . . . . . . . 4001 2 60 . 1 1 9 9 VAL HB H 1 2.24 . . 1 . . . . . . . . 4001 2 61 . 1 1 9 9 VAL HG11 H 1 1.24 . . 2 . . . . . . . . 4001 2 62 . 1 1 9 9 VAL HG12 H 1 1.24 . . 2 . . . . . . . . 4001 2 63 . 1 1 9 9 VAL HG13 H 1 1.24 . . 2 . . . . . . . . 4001 2 64 . 1 1 9 9 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4001 2 65 . 1 1 9 9 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4001 2 66 . 1 1 9 9 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4001 2 67 . 1 1 9 9 VAL H H 1 8.5 . . 1 . . . . . . . . 4001 2 68 . 1 1 9 9 VAL C C 13 177.86 . . 1 . . . . . . . . 4001 2 69 . 1 1 9 9 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 2 70 . 1 1 9 9 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 2 71 . 1 1 9 9 VAL CG1 C 13 23.27 . . 2 . . . . . . . . 4001 2 72 . 1 1 9 9 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 2 73 . 1 1 9 9 VAL N N 15 119.2 . . 1 . . . . . . . . 4001 2 74 . 1 1 11 11 LEU HA H 1 4.12 . . 1 . . . . . . . . 4001 2 75 . 1 1 11 11 LEU HB2 H 1 2.52 . . 1 . . . . . . . . 4001 2 76 . 1 1 11 11 LEU HB3 H 1 2.52 . . 1 . . . . . . . . 4001 2 77 . 1 1 11 11 LEU HG H 1 1.81 . . 1 . . . . . . . . 4001 2 78 . 1 1 11 11 LEU HD11 H 1 1.08 . . 1 . . . . . . . . 4001 2 79 . 1 1 11 11 LEU HD12 H 1 1.08 . . 1 . . . . . . . . 4001 2 80 . 1 1 11 11 LEU HD13 H 1 1.08 . . 1 . . . . . . . . 4001 2 81 . 1 1 11 11 LEU HD21 H 1 0.96 . . 1 . . . . . . . . 4001 2 82 . 1 1 11 11 LEU HD22 H 1 0.96 . . 1 . . . . . . . . 4001 2 83 . 1 1 11 11 LEU HD23 H 1 0.96 . . 1 . . . . . . . . 4001 2 84 . 1 1 11 11 LEU H H 1 8.29 . . 1 . . . . . . . . 4001 2 85 . 1 1 11 11 LEU C C 13 179.43 . . 1 . . . . . . . . 4001 2 86 . 1 1 11 11 LEU CA C 13 59.03 . . 1 . . . . . . . . 4001 2 87 . 1 1 11 11 LEU CB C 13 42.39 . . 1 . . . . . . . . 4001 2 88 . 1 1 11 11 LEU CG C 13 27.44 . . 1 . . . . . . . . 4001 2 89 . 1 1 11 11 LEU CD1 C 13 26.08 . . 2 . . . . . . . . 4001 2 90 . 1 1 11 11 LEU CD2 C 13 24.94 . . 2 . . . . . . . . 4001 2 91 . 1 1 11 11 LEU N N 15 119.76 . . 1 . . . . . . . . 4001 2 92 . 1 1 12 12 ILE HA H 1 3.39 . . 1 . . . . . . . . 4001 2 93 . 1 1 12 12 ILE HB H 1 1.67 . . 1 . . . . . . . . 4001 2 94 . 1 1 12 12 ILE HG12 H 1 1.81 . . 1 . . . . . . . . 4001 2 95 . 1 1 12 12 ILE HG13 H 1 1.81 . . 1 . . . . . . . . 4001 2 96 . 1 1 12 12 ILE HG21 H 1 0.1 . . 1 . . . . . . . . 4001 2 97 . 1 1 12 12 ILE HG22 H 1 0.1 . . 1 . . . . . . . . 4001 2 98 . 1 1 12 12 ILE HG23 H 1 0.1 . . 1 . . . . . . . . 4001 2 99 . 1 1 12 12 ILE HD11 H 1 0.1 . . 1 . . . . . . . . 4001 2 100 . 1 1 12 12 ILE HD12 H 1 0.1 . . 1 . . . . . . . . 4001 2 101 . 1 1 12 12 ILE HD13 H 1 0.1 . . 1 . . . . . . . . 4001 2 102 . 1 1 12 12 ILE H H 1 8.44 . . 1 . . . . . . . . 4001 2 103 . 1 1 12 12 ILE C C 13 177.86 . . 1 . . . . . . . . 4001 2 104 . 1 1 12 12 ILE CA C 13 66.05 . . 1 . . . . . . . . 4001 2 105 . 1 1 12 12 ILE CB C 13 38.25 . . 1 . . . . . . . . 4001 2 106 . 1 1 12 12 ILE CG1 C 13 38.25 . . 1 . . . . . . . . 4001 2 107 . 1 1 12 12 ILE N N 15 121.21 . . 1 . . . . . . . . 4001 2 108 . 1 1 15 15 PHE HA H 1 3.52 . . 1 . . . . . . . . 4001 2 109 . 1 1 15 15 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 4001 2 110 . 1 1 15 15 PHE HB3 H 1 2.68 . . 2 . . . . . . . . 4001 2 111 . 1 1 15 15 PHE H H 1 8.47 . . 1 . . . . . . . . 4001 2 112 . 1 1 15 15 PHE C C 13 177.74 . . 1 . . . . . . . . 4001 2 113 . 1 1 15 15 PHE CA C 13 62.19 . . 1 . . . . . . . . 4001 2 114 . 1 1 15 15 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 2 115 . 1 1 15 15 PHE N N 15 119.76 . . 1 . . . . . . . . 4001 2 stop_ save_ save_chemical_shift_assignment_set_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_three _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments for the protein segment from residues 1 to 15. Multiple resonances were not reported for all residues in this segment. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 3 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 2 2 SER HA H 1 4.66 . . 1 . . . . . . . . 4001 3 2 . 1 1 2 2 SER H H 1 9.95 . . 1 . . . . . . . . 4001 3 3 . 1 1 2 2 SER C C 13 174.7 . . 1 . . . . . . . . 4001 3 4 . 1 1 2 2 SER CA C 13 57.44 . . 1 . . . . . . . . 4001 3 5 . 1 1 2 2 SER CB C 13 65.36 . . 1 . . . . . . . . 4001 3 6 . 1 1 2 2 SER N N 15 120.73 . . 1 . . . . . . . . 4001 3 7 . 1 1 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 3 8 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 3 9 . 1 1 4 4 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 4001 3 10 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 3 11 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 3 12 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 3 13 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 3 14 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 3 15 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 3 16 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 3 17 . 1 1 4 4 LEU H H 1 9.01 . . 1 . . . . . . . . 4001 3 18 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 3 19 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 3 20 . 1 1 4 4 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 3 21 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 3 22 . 1 1 4 4 LEU CD1 C 13 26.92 . . 2 . . . . . . . . 4001 3 23 . 1 1 4 4 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4001 3 24 . 1 1 4 4 LEU N N 15 121.93 . . 1 . . . . . . . . 4001 3 25 . 1 1 5 5 GLU HA H 1 3.33 . . 1 . . . . . . . . 4001 3 26 . 1 1 5 5 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4001 3 27 . 1 1 5 5 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4001 3 28 . 1 1 5 5 GLU H H 1 7.73 . . 1 . . . . . . . . 4001 3 29 . 1 1 5 5 GLU C C 13 178.46 . . 1 . . . . . . . . 4001 3 30 . 1 1 5 5 GLU CA C 13 59.4 . . 1 . . . . . . . . 4001 3 31 . 1 1 5 5 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 3 32 . 1 1 5 5 GLU CG C 13 37.88 . . 1 . . . . . . . . 4001 3 33 . 1 1 5 5 GLU N N 15 118.47 . . 1 . . . . . . . . 4001 3 34 . 1 1 6 6 LYS HA H 1 3.98 . . 1 . . . . . . . . 4001 3 35 . 1 1 6 6 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 4001 3 36 . 1 1 6 6 LYS HB3 H 1 1.94 . . 1 . . . . . . . . 4001 3 37 . 1 1 6 6 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 4001 3 38 . 1 1 6 6 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4001 3 39 . 1 1 6 6 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4001 3 40 . 1 1 6 6 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4001 3 41 . 1 1 6 6 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4001 3 42 . 1 1 6 6 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4001 3 43 . 1 1 6 6 LYS H H 1 7.88 . . 1 . . . . . . . . 4001 3 44 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 3 45 . 1 1 6 6 LYS CA C 13 59.79 . . 1 . . . . . . . . 4001 3 46 . 1 1 6 6 LYS CB C 13 32.26 . . 1 . . . . . . . . 4001 3 47 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 3 48 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 3 49 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 3 50 . 1 1 6 6 LYS N N 15 118.15 . . 1 . . . . . . . . 4001 3 51 . 1 1 7 7 ALA HA H 1 4.28 . . 1 . . . . . . . . 4001 3 52 . 1 1 7 7 ALA HB1 H 1 1.67 . . 1 . . . . . . . . 4001 3 53 . 1 1 7 7 ALA HB2 H 1 1.67 . . 1 . . . . . . . . 4001 3 54 . 1 1 7 7 ALA HB3 H 1 1.67 . . 1 . . . . . . . . 4001 3 55 . 1 1 7 7 ALA H H 1 8.18 . . 1 . . . . . . . . 4001 3 56 . 1 1 7 7 ALA C C 13 179.31 . . 1 . . . . . . . . 4001 3 57 . 1 1 7 7 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 3 58 . 1 1 7 7 ALA CB C 13 17.53 . . 1 . . . . . . . . 4001 3 59 . 1 1 7 7 ALA N N 15 123.3 . . 1 . . . . . . . . 4001 3 60 . 1 1 9 9 VAL HA H 1 3.52 . . 1 . . . . . . . . 4001 3 61 . 1 1 9 9 VAL HB H 1 2.24 . . 1 . . . . . . . . 4001 3 62 . 1 1 9 9 VAL HG11 H 1 1.26 . . 2 . . . . . . . . 4001 3 63 . 1 1 9 9 VAL HG12 H 1 1.26 . . 2 . . . . . . . . 4001 3 64 . 1 1 9 9 VAL HG13 H 1 1.26 . . 2 . . . . . . . . 4001 3 65 . 1 1 9 9 VAL HG21 H 1 0.99 . . 2 . . . . . . . . 4001 3 66 . 1 1 9 9 VAL HG22 H 1 0.99 . . 2 . . . . . . . . 4001 3 67 . 1 1 9 9 VAL HG23 H 1 0.99 . . 2 . . . . . . . . 4001 3 68 . 1 1 9 9 VAL H H 1 8.34 . . 1 . . . . . . . . 4001 3 69 . 1 1 9 9 VAL C C 13 177.86 . . 1 . . . . . . . . 4001 3 70 . 1 1 9 9 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 3 71 . 1 1 9 9 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 3 72 . 1 1 9 9 VAL CG1 C 13 23.27 . . 2 . . . . . . . . 4001 3 73 . 1 1 9 9 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 3 74 . 1 1 9 9 VAL N N 15 119.2 . . 1 . . . . . . . . 4001 3 75 . 1 1 11 11 LEU HA H 1 4.12 . . 1 . . . . . . . . 4001 3 76 . 1 1 11 11 LEU HB2 H 1 2.52 . . 1 . . . . . . . . 4001 3 77 . 1 1 11 11 LEU HB3 H 1 2.52 . . 1 . . . . . . . . 4001 3 78 . 1 1 11 11 LEU HG H 1 1.81 . . 1 . . . . . . . . 4001 3 79 . 1 1 11 11 LEU HD11 H 1 0.96 . . 2 . . . . . . . . 4001 3 80 . 1 1 11 11 LEU HD12 H 1 0.96 . . 2 . . . . . . . . 4001 3 81 . 1 1 11 11 LEU HD13 H 1 0.96 . . 2 . . . . . . . . 4001 3 82 . 1 1 11 11 LEU HD21 H 1 1.08 . . 2 . . . . . . . . 4001 3 83 . 1 1 11 11 LEU HD22 H 1 1.08 . . 2 . . . . . . . . 4001 3 84 . 1 1 11 11 LEU HD23 H 1 1.08 . . 2 . . . . . . . . 4001 3 85 . 1 1 11 11 LEU H H 1 8.26 . . 1 . . . . . . . . 4001 3 86 . 1 1 11 11 LEU C C 13 179.43 . . 1 . . . . . . . . 4001 3 87 . 1 1 11 11 LEU CA C 13 59.03 . . 1 . . . . . . . . 4001 3 88 . 1 1 11 11 LEU CB C 13 42.39 . . 1 . . . . . . . . 4001 3 89 . 1 1 11 11 LEU CG C 13 27.44 . . 1 . . . . . . . . 4001 3 90 . 1 1 11 11 LEU CD1 C 13 26.08 . . 2 . . . . . . . . 4001 3 91 . 1 1 11 11 LEU CD2 C 13 24.94 . . 2 . . . . . . . . 4001 3 92 . 1 1 11 11 LEU N N 15 119.6 . . 1 . . . . . . . . 4001 3 93 . 1 1 12 12 ILE HA H 1 3.39 . . 1 . . . . . . . . 4001 3 94 . 1 1 12 12 ILE HB H 1 1.67 . . 1 . . . . . . . . 4001 3 95 . 1 1 12 12 ILE HG12 H 1 1.81 . . 1 . . . . . . . . 4001 3 96 . 1 1 12 12 ILE HG13 H 1 1.81 . . 1 . . . . . . . . 4001 3 97 . 1 1 12 12 ILE HG21 H 1 0.1 . . 1 . . . . . . . . 4001 3 98 . 1 1 12 12 ILE HG22 H 1 0.1 . . 1 . . . . . . . . 4001 3 99 . 1 1 12 12 ILE HG23 H 1 0.1 . . 1 . . . . . . . . 4001 3 100 . 1 1 12 12 ILE HD11 H 1 0.1 . . 1 . . . . . . . . 4001 3 101 . 1 1 12 12 ILE HD12 H 1 0.1 . . 1 . . . . . . . . 4001 3 102 . 1 1 12 12 ILE HD13 H 1 0.1 . . 1 . . . . . . . . 4001 3 103 . 1 1 12 12 ILE H H 1 8.39 . . 1 . . . . . . . . 4001 3 104 . 1 1 12 12 ILE C C 13 177.86 . . 1 . . . . . . . . 4001 3 105 . 1 1 12 12 ILE CA C 13 66.05 . . 1 . . . . . . . . 4001 3 106 . 1 1 12 12 ILE CB C 13 38.25 . . 1 . . . . . . . . 4001 3 107 . 1 1 12 12 ILE CG1 C 13 38.25 . . 1 . . . . . . . . 4001 3 108 . 1 1 12 12 ILE N N 15 121.21 . . 1 . . . . . . . . 4001 3 109 . 1 1 15 15 PHE HA H 1 3.52 . . 1 . . . . . . . . 4001 3 110 . 1 1 15 15 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 4001 3 111 . 1 1 15 15 PHE HB3 H 1 2.68 . . 2 . . . . . . . . 4001 3 112 . 1 1 15 15 PHE H H 1 8.43 . . 1 . . . . . . . . 4001 3 113 . 1 1 15 15 PHE C C 13 177.74 . . 1 . . . . . . . . 4001 3 114 . 1 1 15 15 PHE CA C 13 62.19 . . 1 . . . . . . . . 4001 3 115 . 1 1 15 15 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 3 116 . 1 1 15 15 PHE N N 15 119.84 . . 1 . . . . . . . . 4001 3 stop_ save_ save_chemical_shift_assignment_set_four _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_four _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments for the protein segment from residues 1 to 15. Multiple resonances were not reported for all residues in this segment. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 4 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 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 4 2 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 4 3 . 1 1 4 4 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4001 4 4 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 4 5 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 4 6 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 4 7 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 4 8 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 4 9 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 4 10 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 4 11 . 1 1 4 4 LEU H H 1 8.92 . . 1 . . . . . . . . 4001 4 12 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 4 13 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 4 14 . 1 1 4 4 LEU CB C 13 41.93 . . 1 . . . . . . . . 4001 4 15 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 4 16 . 1 1 4 4 LEU CD1 C 13 26.92 . . 2 . . . . . . . . 4001 4 17 . 1 1 4 4 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4001 4 18 . 1 1 4 4 LEU N N 15 121.62 . . 1 . . . . . . . . 4001 4 19 . 1 1 6 6 LYS HA H 1 3.9 . . 1 . . . . . . . . 4001 4 20 . 1 1 6 6 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4001 4 21 . 1 1 6 6 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4001 4 22 . 1 1 6 6 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 4001 4 23 . 1 1 6 6 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4001 4 24 . 1 1 6 6 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4001 4 25 . 1 1 6 6 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4001 4 26 . 1 1 6 6 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4001 4 27 . 1 1 6 6 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4001 4 28 . 1 1 6 6 LYS H H 1 8.51 . . 1 . . . . . . . . 4001 4 29 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 4 30 . 1 1 6 6 LYS CA C 13 60.31 . . 1 . . . . . . . . 4001 4 31 . 1 1 6 6 LYS CB C 13 32.72 . . 1 . . . . . . . . 4001 4 32 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 4 33 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 4 34 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 4 35 . 1 1 6 6 LYS N N 15 117.59 . . 1 . . . . . . . . 4001 4 stop_ save_ save_chemical_shift_assignment_set_five _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_five _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments reported for residues in the protein segment from residues 41 to 46. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 5 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 42 42 SER HA H 1 4.01 . . 1 . . . . . . . . 4001 5 2 . 1 1 42 42 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4001 5 3 . 1 1 42 42 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4001 5 4 . 1 1 42 42 SER H H 1 6.7 . . 1 . . . . . . . . 4001 5 5 . 1 1 42 42 SER C C 13 176.52 . . 1 . . . . . . . . 4001 5 6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 5 7 . 1 1 42 42 SER CB C 13 61.92 . . 1 . . . . . . . . 4001 5 8 . 1 1 42 42 SER N N 15 111.79 . . 1 . . . . . . . . 4001 5 9 . 1 1 43 43 HIS HA H 1 4.64 . . 1 . . . . . . . . 4001 5 10 . 1 1 43 43 HIS HB2 H 1 3.6 . . 2 . . . . . . . . 4001 5 11 . 1 1 43 43 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 4001 5 12 . 1 1 43 43 HIS H H 1 9.71 . . 1 . . . . . . . . 4001 5 13 . 1 1 43 43 HIS C C 13 179.07 . . 1 . . . . . . . . 4001 5 14 . 1 1 43 43 HIS CA C 13 59.4 . . 1 . . . . . . . . 4001 5 15 . 1 1 43 43 HIS CB C 13 27.2 . . 1 . . . . . . . . 4001 5 16 . 1 1 43 43 HIS N N 15 122.9 . . 1 . . . . . . . . 4001 5 17 . 1 1 44 44 PHE HA H 1 4.64 . . 1 . . . . . . . . 4001 5 18 . 1 1 44 44 PHE HB2 H 1 3.41 . . 1 . . . . . . . . 4001 5 19 . 1 1 44 44 PHE HB3 H 1 3.41 . . 1 . . . . . . . . 4001 5 20 . 1 1 44 44 PHE H H 1 8.47 . . 1 . . . . . . . . 4001 5 21 . 1 1 44 44 PHE C C 13 178.59 . . 1 . . . . . . . . 4001 5 22 . 1 1 44 44 PHE CA C 13 57.84 . . 1 . . . . . . . . 4001 5 23 . 1 1 44 44 PHE CB C 13 36.41 . . 1 . . . . . . . . 4001 5 24 . 1 1 44 44 PHE N N 15 123.86 . . 1 . . . . . . . . 4001 5 25 . 1 1 45 45 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 5 26 . 1 1 45 45 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4001 5 27 . 1 1 45 45 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 4001 5 28 . 1 1 45 45 LEU HG H 1 1.62 . . 1 . . . . . . . . 4001 5 29 . 1 1 45 45 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4001 5 30 . 1 1 45 45 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4001 5 31 . 1 1 45 45 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4001 5 32 . 1 1 45 45 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4001 5 33 . 1 1 45 45 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4001 5 34 . 1 1 45 45 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4001 5 35 . 1 1 45 45 LEU H H 1 8.33 . . 1 . . . . . . . . 4001 5 36 . 1 1 45 45 LEU C C 13 177.74 . . 1 . . . . . . . . 4001 5 37 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 5 38 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 5 39 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 5 40 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 5 41 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 5 42 . 1 1 45 45 LEU N N 15 115.09 . . 1 . . . . . . . . 4001 5 43 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 5 44 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 5 45 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 5 46 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 5 47 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 5 48 . 1 1 46 46 GLU H H 1 7.35 . . 1 . . . . . . . . 4001 5 49 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 5 50 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 5 51 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 5 52 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 5 53 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 5 54 . 1 1 47 47 GLU HA H 1 4.64 . . 1 . . . . . . . . 4001 5 55 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 5 56 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 5 57 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 5 58 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 5 59 . 1 1 47 47 GLU H H 1 7.64 . . 1 . . . . . . . . 4001 5 60 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 5 61 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 5 62 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 5 63 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 5 64 . 1 1 47 47 GLU N N 15 119.28 . . 1 . . . . . . . . 4001 5 stop_ save_ save_chemical_shift_assignment_set_six _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_six _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments reported for residues in the protein segment from residues 41 to 46. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 6 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 42 42 SER HA H 1 3.96 . . 1 . . . . . . . . 4001 6 2 . 1 1 42 42 SER HB2 H 1 3.79 . . 1 . . . . . . . . 4001 6 3 . 1 1 42 42 SER HB3 H 1 3.79 . . 1 . . . . . . . . 4001 6 4 . 1 1 42 42 SER H H 1 6.71 . . 1 . . . . . . . . 4001 6 5 . 1 1 42 42 SER C C 13 176.28 . . 1 . . . . . . . . 4001 6 6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 6 7 . 1 1 42 42 SER CB C 13 61.9 . . 1 . . . . . . . . 4001 6 8 . 1 1 42 42 SER N N 15 112.27 . . 1 . . . . . . . . 4001 6 9 . 1 1 43 43 HIS HA H 1 4.61 . . 1 . . . . . . . . 4001 6 10 . 1 1 43 43 HIS HB2 H 1 3.49 . . 2 . . . . . . . . 4001 6 11 . 1 1 43 43 HIS HB3 H 1 3.36 . . 2 . . . . . . . . 4001 6 12 . 1 1 43 43 HIS H H 1 9.57 . . 1 . . . . . . . . 4001 6 13 . 1 1 43 43 HIS C C 13 179.31 . . 1 . . . . . . . . 4001 6 14 . 1 1 43 43 HIS CA C 13 59.79 . . 1 . . . . . . . . 4001 6 15 . 1 1 43 43 HIS CB C 13 26.74 . . 1 . . . . . . . . 4001 6 16 . 1 1 43 43 HIS N N 15 122.25 . . 1 . . . . . . . . 4001 6 17 . 1 1 44 44 PHE HA H 1 4.64 . . 1 . . . . . . . . 4001 6 18 . 1 1 44 44 PHE HB2 H 1 3.44 . . 1 . . . . . . . . 4001 6 19 . 1 1 44 44 PHE HB3 H 1 3.44 . . 1 . . . . . . . . 4001 6 20 . 1 1 44 44 PHE H H 1 8.33 . . 1 . . . . . . . . 4001 6 21 . 1 1 44 44 PHE C C 13 178.46 . . 1 . . . . . . . . 4001 6 22 . 1 1 44 44 PHE CA C 13 57.84 . . 1 . . . . . . . . 4001 6 23 . 1 1 44 44 PHE CB C 13 36.41 . . 1 . . . . . . . . 4001 6 24 . 1 1 44 44 PHE N N 15 123.78 . . 1 . . . . . . . . 4001 6 25 . 1 1 45 45 LEU HA H 1 4.07 . . 1 . . . . . . . . 4001 6 26 . 1 1 45 45 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 4001 6 27 . 1 1 45 45 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 4001 6 28 . 1 1 45 45 LEU HG H 1 1.59 . . 1 . . . . . . . . 4001 6 29 . 1 1 45 45 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4001 6 30 . 1 1 45 45 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4001 6 31 . 1 1 45 45 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4001 6 32 . 1 1 45 45 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4001 6 33 . 1 1 45 45 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4001 6 34 . 1 1 45 45 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4001 6 35 . 1 1 45 45 LEU H H 1 8.28 . . 1 . . . . . . . . 4001 6 36 . 1 1 45 45 LEU C C 13 177.74 . . 1 . . . . . . . . 4001 6 37 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 6 38 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 6 39 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 6 40 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 6 41 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 6 42 . 1 1 45 45 LEU N N 15 115.41 . . 1 . . . . . . . . 4001 6 43 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 6 44 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 6 45 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 6 46 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 6 47 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 6 48 . 1 1 46 46 GLU H H 1 7.35 . . 1 . . . . . . . . 4001 6 49 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 6 50 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 6 51 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 6 52 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 6 53 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 6 54 . 1 1 47 47 GLU HA H 1 4.58 . . 1 . . . . . . . . 4001 6 55 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 6 56 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 6 57 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 6 58 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 6 59 . 1 1 47 47 GLU H H 1 7.67 . . 1 . . . . . . . . 4001 6 60 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 6 61 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 6 62 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 6 63 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 6 64 . 1 1 47 47 GLU N N 15 119.36 . . 1 . . . . . . . . 4001 6 stop_ save_ save_chemical_shift_assignment_set_seven _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_seven _Assigned_chem_shift_list.Entry_ID 4001 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains one set of peak assignments reported for residues in the protein segment from residues 41 to 46. Multiple resonances were not reported for all residues in this segment. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4001 7 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 42 42 SER HA H 1 4.04 . . 1 . . . . . . . . 4001 7 2 . 1 1 42 42 SER HB2 H 1 3.88 . . 1 . . . . . . . . 4001 7 3 . 1 1 42 42 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4001 7 4 . 1 1 42 42 SER H H 1 6.78 . . 1 . . . . . . . . 4001 7 5 . 1 1 42 42 SER C C 13 176.4 . . 1 . . . . . . . . 4001 7 6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 7 7 . 1 1 42 42 SER CB C 13 61.9 . . 1 . . . . . . . . 4001 7 8 . 1 1 42 42 SER N N 15 112.75 . . 1 . . . . . . . . 4001 7 9 . 1 1 43 43 HIS HA H 1 4.69 . . 1 . . . . . . . . 4001 7 10 . 1 1 43 43 HIS HB2 H 1 3.49 . . 2 . . . . . . . . 4001 7 11 . 1 1 43 43 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 4001 7 12 . 1 1 43 43 HIS H H 1 9.46 . . 1 . . . . . . . . 4001 7 13 . 1 1 43 43 HIS C C 13 179.31 . . 1 . . . . . . . . 4001 7 14 . 1 1 43 43 HIS CA C 13 59.4 . . 1 . . . . . . . . 4001 7 15 . 1 1 43 43 HIS CB C 13 27.2 . . 1 . . . . . . . . 4001 7 16 . 1 1 43 43 HIS N N 15 121.37 . . 1 . . . . . . . . 4001 7 17 . 1 1 45 45 LEU HA H 1 4.07 . . 1 . . . . . . . . 4001 7 18 . 1 1 45 45 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4001 7 19 . 1 1 45 45 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 4001 7 20 . 1 1 45 45 LEU HG H 1 1.62 . . 1 . . . . . . . . 4001 7 21 . 1 1 45 45 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4001 7 22 . 1 1 45 45 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4001 7 23 . 1 1 45 45 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4001 7 24 . 1 1 45 45 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 4001 7 25 . 1 1 45 45 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 4001 7 26 . 1 1 45 45 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 4001 7 27 . 1 1 45 45 LEU H H 1 8.15 . . 1 . . . . . . . . 4001 7 28 . 1 1 45 45 LEU C C 13 177.62 . . 1 . . . . . . . . 4001 7 29 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 7 30 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 7 31 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 7 32 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 7 33 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 7 34 . 1 1 45 45 LEU N N 15 115.33 . . 1 . . . . . . . . 4001 7 35 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 7 36 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 7 37 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 7 38 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 7 39 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 7 40 . 1 1 46 46 GLU H H 1 7.32 . . 1 . . . . . . . . 4001 7 41 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 7 42 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 7 43 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 7 44 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 7 45 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 7 46 . 1 1 47 47 GLU HA H 1 4.64 . . 1 . . . . . . . . 4001 7 47 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 7 48 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 7 49 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 7 50 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 7 51 . 1 1 47 47 GLU H H 1 7.63 . . 1 . . . . . . . . 4001 7 52 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 7 53 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 7 54 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 7 55 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 7 56 . 1 1 47 47 GLU N N 15 119.52 . . 1 . . . . . . . . 4001 7 stop_ save_