data_36102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36102 _Entry.Title ; Solution Structure of Cold Shock Protein from Colwellia psychrerythraea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-27 _Entry.Accession_date 2017-08-21 _Entry.Last_release_date 2017-08-21 _Entry.Original_release_date 2017-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Lee Y. . . . 36102 2 Y. Kim Y. . . . 36102 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cold-shock protein' . 36102 'NMR spectroscopy' . 36102 Psychrophile . 36102 'RNA BINDING PROTEIN' . 36102 'solution structure' . 36102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 36102 '15N chemical shifts' 71 36102 '1H chemical shifts' 415 36102 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-10-10 . original BMRB . 36102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XV9 'BMRB Entry Tracking System' 36102 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36102 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29737840 _Citation.DOI 10.1021/acs.biochem.8b00144 _Citation.Full_citation . _Citation.Title ; Tyr51: Key Determinant of the Low Thermostability of the Colwellia psychrerythraea Cold-Shock Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 57 _Citation.Journal_issue 26 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 3625 _Citation.Page_last 3640 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yeongjoon Lee Y. . . . 36102 1 2 Chulhee Kwak C. . . . 36102 1 3 Ki-Woong Jeong K. W. . . 36102 1 4 Prasannavenkatesh Durai P. . . . 36102 1 5 Kyoung-Seok Ryu K. S. . . 36102 1 6 Eun-Hee Kim E. H. . . 36102 1 7 Chaejoon Cheong C. . . . 36102 1 8 Hee-Chul Ahn H. C. . . 36102 1 9 Hak Kim H. J. . . 36102 1 10 Yangmee Kim Y. . . . 36102 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 36102 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25101648 _Citation.DOI 10.1016/j.bbrc.2014.07.127 _Citation.Full_citation . _Citation.Title ; Structure and flexibility of the thermophilic cold-shock protein of Thermus aquaticus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 451 _Citation.Journal_issue 3 _Citation.Journal_ASTM BBRCA9 _Citation.Journal_ISSN 0006-291X _Citation.Journal_CSD 0146 _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 402 _Citation.Page_last 407 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Jin B. . . . 36102 2 2 K. Jeong K. W. . . 36102 2 3 Y. Kim Y. . . . 36102 2 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 36102 _Citation.ID 3 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 23506337 _Citation.DOI 10.1021/bi301641b _Citation.Full_citation . _Citation.Title ; Structural and dynamic features of cold-shock proteins of Listeria monocytogenes, a psychrophilic bacterium. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 14 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 0006-2960 _Citation.Journal_CSD 0033 _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 2492 _Citation.Page_last 2504 _Citation.Year 2013 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Lee J. . . . 36102 3 2 K. Jeong K. W. . . 36102 3 3 B. Jin B. . . . 36102 3 4 K. Ryu K. S. . . 36102 3 5 E. Kim E. H. . . 36102 3 6 J. Ahn J. H. . . 36102 3 7 Y. Kim Y. . . . 36102 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36102 _Assembly.ID 1 _Assembly.Name 'Cold-shock DNA-binding domain family protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all free' _Assembly.Molecular_mass 7299.082 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36102 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 1 MET . start . . 36102 1 . 1 1 10 ASN 10 . A 10 ASN . middle . . 36102 1 . 1 1 11 SER 11 . A 11 SER . middle . . 36102 1 . 1 1 12 ASP 12 . A 12 ASP . middle . . 36102 1 . 1 1 13 LYS 13 . A 13 LYS . middle . . 36102 1 . 1 1 14 GLY 14 . A 14 GLY . middle no . 36102 1 . 1 1 15 PHE 15 . A 15 PHE . middle . . 36102 1 . 1 1 16 GLY 16 . A 16 GLY . middle no . 36102 1 . 1 1 17 PHE 17 . A 17 PHE . middle . . 36102 1 . 1 1 18 ILE 18 . A 18 ILE . middle . . 36102 1 . 1 1 19 THR 19 . A 19 THR . middle . . 36102 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36102 1 . 1 1 20 PRO 20 . A 20 PRO . middle no . 36102 1 . 1 1 21 GLU 21 . A 21 GLU . middle . . 36102 1 . 1 1 22 ASP 22 . A 22 ASP . middle . . 36102 1 . 1 1 23 GLY 23 . A 23 GLY . middle no . 36102 1 . 1 1 24 SER 24 . A 24 SER . middle . . 36102 1 . 1 1 25 LYS 25 . A 25 LYS . middle . . 36102 1 . 1 1 26 ASP 26 . A 26 ASP . middle . . 36102 1 . 1 1 27 LEU 27 . A 27 LEU . middle . . 36102 1 . 1 1 28 PHE 28 . A 28 PHE . middle . . 36102 1 . 1 1 29 VAL 29 . A 29 VAL . middle . . 36102 1 . 1 1 3 LYS 3 . A 3 LYS . middle . . 36102 1 . 1 1 30 HIS 30 . A 30 HIS . middle . . 36102 1 . 1 1 31 HIS 31 . A 31 HIS . middle . . 36102 1 . 1 1 32 SER 32 . A 32 SER . middle . . 36102 1 . 1 1 33 GLU 33 . A 33 GLU . middle . . 36102 1 . 1 1 34 ILE 34 . A 34 ILE . middle . . 36102 1 . 1 1 35 GLN 35 . A 35 GLN . middle . . 36102 1 . 1 1 36 SER 36 . A 36 SER . middle . . 36102 1 . 1 1 37 GLY 37 . A 37 GLY . middle no . 36102 1 . 1 1 38 GLY 38 . A 38 GLY . middle no . 36102 1 . 1 1 39 GLU 39 . A 39 GLU . middle . . 36102 1 . 1 1 4 GLY 4 . A 4 GLY . middle no . 36102 1 . 1 1 40 TYR 40 . A 40 TYR . middle . . 36102 1 . 1 1 41 ALA 41 . A 41 ALA . middle . . 36102 1 . 1 1 42 THR 42 . A 42 THR . middle . . 36102 1 . 1 1 43 LEU 43 . A 43 LEU . middle . . 36102 1 . 1 1 44 ALA 44 . A 44 ALA . middle . . 36102 1 . 1 1 45 ASP 45 . A 45 ASP . middle . . 36102 1 . 1 1 46 GLY 46 . A 46 GLY . middle no . 36102 1 . 1 1 47 GLN 47 . A 47 GLN . middle . . 36102 1 . 1 1 48 THR 48 . A 48 THR . middle . . 36102 1 . 1 1 49 VAL 49 . A 49 VAL . middle . . 36102 1 . 1 1 5 ILE 5 . A 5 ILE . middle . . 36102 1 . 1 1 50 GLU 50 . A 50 GLU . middle . . 36102 1 . 1 1 51 TYR 51 . A 51 TYR . middle . . 36102 1 . 1 1 52 GLU 52 . A 52 GLU . middle . . 36102 1 . 1 1 53 VAL 53 . A 53 VAL . middle . . 36102 1 . 1 1 54 GLY 54 . A 54 GLY . middle no . 36102 1 . 1 1 55 GLN 55 . A 55 GLN . middle . . 36102 1 . 1 1 56 GLY 56 . A 56 GLY . middle no . 36102 1 . 1 1 57 GLN 57 . A 57 GLN . middle . . 36102 1 . 1 1 58 LYS 58 . A 58 LYS . middle . . 36102 1 . 1 1 59 GLY 59 . A 59 GLY . middle no . 36102 1 . 1 1 6 VAL 6 . A 6 VAL . middle . . 36102 1 . 1 1 60 PRO 60 . A 60 PRO . middle no . 36102 1 . 1 1 61 CYS 61 . A 61 CYS . middle . . 36102 1 . 1 1 62 ALA 62 . A 62 ALA . middle . . 36102 1 . 1 1 63 ASN 63 . A 63 ASN . middle . . 36102 1 . 1 1 64 LYS 64 . A 64 LYS . middle . . 36102 1 . 1 1 65 VAL 65 . A 65 VAL . middle . . 36102 1 . 1 1 66 VAL 66 . A 66 VAL . middle . . 36102 1 . 1 1 67 ALA 67 . A 67 ALA . middle . . 36102 1 . 1 1 68 VAL 68 . A 68 VAL . end . . 36102 1 . 1 1 7 LYS 7 . A 7 LYS . middle . . 36102 1 . 1 1 8 TRP 8 . A 8 TRP . middle . . 36102 1 . 1 1 9 PHE 9 . A 9 PHE . middle . . 36102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cold-shock DNA-binding domain family protein' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKGIVKWFNSDKGFGFITP EDGSKDLFVHHSEIQSGGEY ATLADGQTVEYEVGQGQKGP CANKVVAV ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7299.082 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 MET . 36102 1 2 2 SER . 36102 1 3 3 LYS . 36102 1 4 4 GLY . 36102 1 5 5 ILE . 36102 1 6 6 VAL . 36102 1 7 7 LYS . 36102 1 8 8 TRP . 36102 1 9 9 PHE . 36102 1 10 10 ASN . 36102 1 11 11 SER . 36102 1 12 12 ASP . 36102 1 13 13 LYS . 36102 1 14 14 GLY . 36102 1 15 15 PHE . 36102 1 16 16 GLY . 36102 1 17 17 PHE . 36102 1 18 18 ILE . 36102 1 19 19 THR . 36102 1 20 20 PRO . 36102 1 21 21 GLU . 36102 1 22 22 ASP . 36102 1 23 23 GLY . 36102 1 24 24 SER . 36102 1 25 25 LYS . 36102 1 26 26 ASP . 36102 1 27 27 LEU . 36102 1 28 28 PHE . 36102 1 29 29 VAL . 36102 1 30 30 HIS . 36102 1 31 31 HIS . 36102 1 32 32 SER . 36102 1 33 33 GLU . 36102 1 34 34 ILE . 36102 1 35 35 GLN . 36102 1 36 36 SER . 36102 1 37 37 GLY . 36102 1 38 38 GLY . 36102 1 39 39 GLU . 36102 1 40 40 TYR . 36102 1 41 41 ALA . 36102 1 42 42 THR . 36102 1 43 43 LEU . 36102 1 44 44 ALA . 36102 1 45 45 ASP . 36102 1 46 46 GLY . 36102 1 47 47 GLN . 36102 1 48 48 THR . 36102 1 49 49 VAL . 36102 1 50 50 GLU . 36102 1 51 51 TYR . 36102 1 52 52 GLU . 36102 1 53 53 VAL . 36102 1 54 54 GLY . 36102 1 55 55 GLN . 36102 1 56 56 GLY . 36102 1 57 57 GLN . 36102 1 58 58 LYS . 36102 1 59 59 GLY . 36102 1 60 60 PRO . 36102 1 61 61 CYS . 36102 1 62 62 ALA . 36102 1 63 63 ASN . 36102 1 64 64 LYS . 36102 1 65 65 VAL . 36102 1 66 66 VAL . 36102 1 67 67 ALA . 36102 1 68 68 VAL . 36102 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 36102 1 . SER 2 2 36102 1 . LYS 3 3 36102 1 . GLY 4 4 36102 1 . ILE 5 5 36102 1 . VAL 6 6 36102 1 . LYS 7 7 36102 1 . TRP 8 8 36102 1 . PHE 9 9 36102 1 . ASN 10 10 36102 1 . SER 11 11 36102 1 . ASP 12 12 36102 1 . LYS 13 13 36102 1 . GLY 14 14 36102 1 . PHE 15 15 36102 1 . GLY 16 16 36102 1 . PHE 17 17 36102 1 . ILE 18 18 36102 1 . THR 19 19 36102 1 . PRO 20 20 36102 1 . GLU 21 21 36102 1 . ASP 22 22 36102 1 . GLY 23 23 36102 1 . SER 24 24 36102 1 . LYS 25 25 36102 1 . ASP 26 26 36102 1 . LEU 27 27 36102 1 . PHE 28 28 36102 1 . VAL 29 29 36102 1 . HIS 30 30 36102 1 . HIS 31 31 36102 1 . SER 32 32 36102 1 . GLU 33 33 36102 1 . ILE 34 34 36102 1 . GLN 35 35 36102 1 . SER 36 36 36102 1 . GLY 37 37 36102 1 . GLY 38 38 36102 1 . GLU 39 39 36102 1 . TYR 40 40 36102 1 . ALA 41 41 36102 1 . THR 42 42 36102 1 . LEU 43 43 36102 1 . ALA 44 44 36102 1 . ASP 45 45 36102 1 . GLY 46 46 36102 1 . GLN 47 47 36102 1 . THR 48 48 36102 1 . VAL 49 49 36102 1 . GLU 50 50 36102 1 . TYR 51 51 36102 1 . GLU 52 52 36102 1 . VAL 53 53 36102 1 . GLY 54 54 36102 1 . GLN 55 55 36102 1 . GLY 56 56 36102 1 . GLN 57 57 36102 1 . LYS 58 58 36102 1 . GLY 59 59 36102 1 . PRO 60 60 36102 1 . CYS 61 61 36102 1 . ALA 62 62 36102 1 . ASN 63 63 36102 1 . LYS 64 64 36102 1 . VAL 65 65 36102 1 . VAL 66 66 36102 1 . ALA 67 67 36102 1 . VAL 68 68 36102 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 36102 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 167879 organism . 'Colwellia psychrerythraea 34H' . . . Bacteria Pseudomonadati Colwellia psychrerythraea '34H / ATCC BAA-681' . . . . . . . . . . CPS_0718 . 36102 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 36102 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 36102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36102 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 15N] Colwellia psychrerythraea Cold Shock Protein, 50 mM potassium phosphate, 100 mM potassium chloride, 0.1 mM EDTA, 2 mM DTT, 50 nM DSS, 0.5 mg/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Colwellia psychrerythraea Cold Shock Protein' '[U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM 0.2 . . . 36102 1 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.5 . . mg/mL . . . . 36102 1 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36102 1 4 EDTA 'natural abundance' . . . . . 'chelating agent' 0.1 . . mM . . . . 36102 1 5 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36102 1 6 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36102 1 7 DSS 'natural abundance' . . . . . 'internal reference' 50 . . nM . . . . 36102 1 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36102 1 9 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36102 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36102 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] Colwellia psychrerythraea Cold Shock Protein, 50 mM potassium phosphate, 100 mM potassium chloride, 0.1 mM EDTA, 2 mM DTT, 50 nM DSS, 0.5 mg/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Colwellia psychrerythraea Cold Shock Protein' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM 0.2 . . . 36102 2 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.5 . . mg/mL . . . . 36102 2 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36102 2 4 EDTA 'natural abundance' . . . . . 'chelating agent' 0.1 . . mM . . . . 36102 2 5 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36102 2 6 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36102 2 7 DSS 'natural abundance' . . . . . 'internal reference' 50 . . nM . . . . 36102 2 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36102 2 9 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36102 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36102 _Sample.ID 3 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 15N] Colwellia psychrerythraea Cold Shock Protein, 50 mM potassium phosphate, 100 mM potassium chloride, 0.1 mM EDTA, 2 mM DTT, 50 nM DSS, 0.5 mg/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Colwellia psychrerythraea Cold Shock Protein' '[U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM 0.2 . . . 36102 3 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.5 . . mg/mL . . . . 36102 3 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36102 3 4 EDTA 'natural abundance' . . . . . 'chelating agent' 0.1 . . mM . . . . 36102 3 5 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36102 3 6 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36102 3 7 DSS 'natural abundance' . . . . . 'internal reference' 50 . . nM . . . . 36102 3 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36102 3 9 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36102 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 36102 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM Colwellia psychrerythraea Cold Shock Protein, 50 mM potassium phosphate, 100 mM potassium chloride, 0.1 mM EDTA, 2 mM DTT, 50 nM DSS, 0.5 mg/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Colwellia psychrerythraea Cold Shock Protein' 'natural abundance' 1 $assembly 1 $entity_1 . protein 0.5 . . mM 0.2 . . . 36102 4 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.5 . . mg/mL . . . . 36102 4 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36102 4 4 EDTA 'natural abundance' . . . . . 'chelating agent' 0.1 . . mM . . . . 36102 4 5 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36102 4 6 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36102 4 7 DSS 'natural abundance' . . . . . 'internal reference' 50 . . nM . . . . 36102 4 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36102 4 9 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36102 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36102 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 100 . mM 36102 1 pH 6.0 . pH 36102 1 pressure 1 . atm 36102 1 temperature 298 . K 36102 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36102 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36102 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36102 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36102 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, W., M. Tonelli and J.L. Markley' . . 36102 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36102 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36102 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36102 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36102 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36102 _Software.ID 4 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Cornilescu G, Dashti H, Eghbalnia HR, Tonelli M, Westler WM, Butcher SE, Wildman-Henzler K, Markley JL.' . . 36102 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36102 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36102 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 5 NMR_spectrometer_1 Bruker Avance . 800 . . . 36102 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36102 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 3 '3D HNCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 5 '3D HNCO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 6 '3D C(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 7 '3D HBHA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 8 '3D H(CCO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 10 '2D 1H-1H TOCSY' . . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 11 '2D 1H-1H NOESY' . . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 12 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 13 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 14 '2D 1H-15N HSQC-DSSE(IPAP)' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 15 '2D 1H-15N HSQC-DSSE(IPAP)' . . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 5 . . . . . . . . . . . . . . . . . . 36102 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 36102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36102 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36102 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36102 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36102 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36102 1 3 '3D HNCACB' 2 $sample_2 isotropic 36102 1 4 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36102 1 5 '3D HNCO' 2 $sample_2 isotropic 36102 1 6 '3D C(CO)NH' 2 $sample_2 isotropic 36102 1 7 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36102 1 8 '3D H(CCO)NH' 2 $sample_2 isotropic 36102 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36102 1 10 '2D 1H-1H TOCSY' 4 $sample_4 isotropic 36102 1 11 '2D 1H-1H NOESY' 4 $sample_4 isotropic 36102 1 12 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36102 1 13 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 36102 1 14 '2D 1H-15N HSQC-DSSE(IPAP)' 1 $sample_1 isotropic 36102 1 15 '2D 1H-15N HSQC-DSSE(IPAP)' 3 $sample_3 anisotropic 36102 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3.981 0 . 1 . . . . A 2 SER HA . 36102 1 2 . 1 . 1 2 2 SER HB2 H 1 3.667 0 . . . . . . A 2 SER HB2 . 36102 1 3 . 1 . 1 2 2 SER HB3 H 1 2.677 0 . . . . . . A 2 SER HB3 . 36102 1 4 . 1 . 1 2 2 SER C C 13 178.212 0 . 1 . . . . A 2 SER C . 36102 1 5 . 1 . 1 2 2 SER CA C 13 58.842 0 . 1 . . . . A 2 SER CA . 36102 1 6 . 1 . 1 2 2 SER CB C 13 62.923 0 . 1 . . . . A 2 SER CB . 36102 1 7 . 1 . 1 3 3 LYS H H 1 8.523 0 . 1 . . . . A 3 LYS H . 36102 1 8 . 1 . 1 3 3 LYS HA H 1 5.363 0 . 1 . . . . A 3 LYS HA . 36102 1 9 . 1 . 1 3 3 LYS HB2 H 1 1.819 0 . . . . . . A 3 LYS HB2 . 36102 1 10 . 1 . 1 3 3 LYS HB3 H 1 1.676 0 . . . . . . A 3 LYS HB3 . 36102 1 11 . 1 . 1 3 3 LYS HG2 H 1 1.452 0 . . . . . . A 3 LYS HG2 . 36102 1 12 . 1 . 1 3 3 LYS HG3 H 1 1.391 0 . . . . . . A 3 LYS HG3 . 36102 1 13 . 1 . 1 3 3 LYS HD2 H 1 1.646 0 . . . . . . A 3 LYS HD2 . 36102 1 14 . 1 . 1 3 3 LYS HD3 H 1 1.646 0 . . . . . . A 3 LYS HD3 . 36102 1 15 . 1 . 1 3 3 LYS HE2 H 1 2.903 0 . . . . . . A 3 LYS HE2 . 36102 1 16 . 1 . 1 3 3 LYS HE3 H 1 2.903 0 . . . . . . A 3 LYS HE3 . 36102 1 17 . 1 . 1 3 3 LYS C C 13 176.099 0 . 1 . . . . A 3 LYS C . 36102 1 18 . 1 . 1 3 3 LYS CA C 13 54.894 0 . 1 . . . . A 3 LYS CA . 36102 1 19 . 1 . 1 3 3 LYS CB C 13 35.87 0 . 1 . . . . A 3 LYS CB . 36102 1 20 . 1 . 1 3 3 LYS CG C 13 25.025 0 . 1 . . . . A 3 LYS CG . 36102 1 21 . 1 . 1 3 3 LYS CD C 13 29.223 0 . 1 . . . . A 3 LYS CD . 36102 1 22 . 1 . 1 3 3 LYS CE C 13 42.009 0 . 1 . . . . A 3 LYS CE . 36102 1 23 . 1 . 1 3 3 LYS N N 15 121.604 0 . 1 . . . . A 3 LYS N . 36102 1 24 . 1 . 1 4 4 GLY H H 1 8.812 0 . 1 . . . . A 4 GLY H . 36102 1 25 . 1 . 1 4 4 GLY HA2 H 1 4.496 0 . . . . . . A 4 GLY HA2 . 36102 1 26 . 1 . 1 4 4 GLY HA3 H 1 3.899 0 . . . . . . A 4 GLY HA3 . 36102 1 27 . 1 . 1 4 4 GLY C C 13 170.525 0 . 1 . . . . A 4 GLY C . 36102 1 28 . 1 . 1 4 4 GLY CA C 13 45.709 0 . 1 . . . . A 4 GLY CA . 36102 1 29 . 1 . 1 4 4 GLY N N 15 109.3 0 . 1 . . . . A 4 GLY N . 36102 1 30 . 1 . 1 5 5 ILE H H 1 8.255 0 . 1 . . . . A 5 ILE H . 36102 1 31 . 1 . 1 5 5 ILE HA H 1 5.137 0 . 1 . . . . A 5 ILE HA . 36102 1 32 . 1 . 1 5 5 ILE HB H 1 1.575 0 . 1 . . . . A 5 ILE HB . 36102 1 33 . 1 . 1 5 5 ILE HG12 H 1 1.409 0 . . . . . . A 5 ILE HG12 . 36102 1 34 . 1 . 1 5 5 ILE HG13 H 1 1.08 0 . . . . . . A 5 ILE HG13 . 36102 1 35 . 1 . 1 5 5 ILE HG21 H 1 0.81 0 . 1 . . . . A 5 ILE HG21 . 36102 1 36 . 1 . 1 5 5 ILE HG22 H 1 0.81 0 . 1 . . . . A 5 ILE HG22 . 36102 1 37 . 1 . 1 5 5 ILE HG23 H 1 0.81 0 . 1 . . . . A 5 ILE HG23 . 36102 1 38 . 1 . 1 5 5 ILE HD11 H 1 0.252 0 . 1 . . . . A 5 ILE HD11 . 36102 1 39 . 1 . 1 5 5 ILE HD12 H 1 0.252 0 . 1 . . . . A 5 ILE HD12 . 36102 1 40 . 1 . 1 5 5 ILE HD13 H 1 0.252 0 . 1 . . . . A 5 ILE HD13 . 36102 1 41 . 1 . 1 5 5 ILE C C 13 175.801 0 . 1 . . . . A 5 ILE C . 36102 1 42 . 1 . 1 5 5 ILE CA C 13 58.773 0 . 1 . . . . A 5 ILE CA . 36102 1 43 . 1 . 1 5 5 ILE CB C 13 42.302 0 . 1 . . . . A 5 ILE CB . 36102 1 44 . 1 . 1 5 5 ILE CG1 C 13 27.617 0 . 1 . . . . A 5 ILE CG1 . 36102 1 45 . 1 . 1 5 5 ILE CG2 C 13 17.572 0 . 1 . . . . A 5 ILE CG2 . 36102 1 46 . 1 . 1 5 5 ILE CD1 C 13 13.446 0 . 1 . . . . A 5 ILE CD1 . 36102 1 47 . 1 . 1 5 5 ILE N N 15 117.879 0 . 1 . . . . A 5 ILE N . 36102 1 48 . 1 . 1 6 6 VAL H H 1 8.902 0 . 1 . . . . A 6 VAL H . 36102 1 49 . 1 . 1 6 6 VAL HA H 1 3.664 0 . 1 . . . . A 6 VAL HA . 36102 1 50 . 1 . 1 6 6 VAL HB H 1 2.366 0 . 1 . . . . A 6 VAL HB . 36102 1 51 . 1 . 1 6 6 VAL HG11 H 1 0.857 0 . . . . . . A 6 VAL HG11 . 36102 1 52 . 1 . 1 6 6 VAL HG12 H 1 0.857 0 . . . . . . A 6 VAL HG12 . 36102 1 53 . 1 . 1 6 6 VAL HG13 H 1 0.857 0 . . . . . . A 6 VAL HG13 . 36102 1 54 . 1 . 1 6 6 VAL HG21 H 1 0.596 0 . . . . . . A 6 VAL HG21 . 36102 1 55 . 1 . 1 6 6 VAL HG22 H 1 0.596 0 . . . . . . A 6 VAL HG22 . 36102 1 56 . 1 . 1 6 6 VAL HG23 H 1 0.596 0 . . . . . . A 6 VAL HG23 . 36102 1 57 . 1 . 1 6 6 VAL C C 13 175.273 0 . 1 . . . . A 6 VAL C . 36102 1 58 . 1 . 1 6 6 VAL CA C 13 64.399 0 . 1 . . . . A 6 VAL CA . 36102 1 59 . 1 . 1 6 6 VAL CB C 13 31.796 0 . 1 . . . . A 6 VAL CB . 36102 1 60 . 1 . 1 6 6 VAL CG1 C 13 24.133 0 . . . . . . A 6 VAL CG1 . 36102 1 61 . 1 . 1 6 6 VAL CG2 C 13 21.777 0 . . . . . . A 6 VAL CG2 . 36102 1 62 . 1 . 1 6 6 VAL N N 15 125.928 0 . 1 . . . . A 6 VAL N . 36102 1 63 . 1 . 1 7 7 LYS H H 1 9.187 0 . 1 . . . . A 7 LYS H . 36102 1 64 . 1 . 1 7 7 LYS HA H 1 4.135 0 . 1 . . . . A 7 LYS HA . 36102 1 65 . 1 . 1 7 7 LYS HB2 H 1 2.003 0 . . . . . . A 7 LYS HB2 . 36102 1 66 . 1 . 1 7 7 LYS HB3 H 1 1.516 0 . . . . . . A 7 LYS HB3 . 36102 1 67 . 1 . 1 7 7 LYS HG2 H 1 1.521 0 . . . . . . A 7 LYS HG2 . 36102 1 68 . 1 . 1 7 7 LYS HG3 H 1 1.521 0 . . . . . . A 7 LYS HG3 . 36102 1 69 . 1 . 1 7 7 LYS HE2 H 1 2.992 0 . . . . . . A 7 LYS HE2 . 36102 1 70 . 1 . 1 7 7 LYS HE3 H 1 2.992 0 . . . . . . A 7 LYS HE3 . 36102 1 71 . 1 . 1 7 7 LYS C C 13 176.459 0 . 1 . . . . A 7 LYS C . 36102 1 72 . 1 . 1 7 7 LYS CA C 13 58.95 0 . 1 . . . . A 7 LYS CA . 36102 1 73 . 1 . 1 7 7 LYS CB C 13 33.641 0 . 1 . . . . A 7 LYS CB . 36102 1 74 . 1 . 1 7 7 LYS CG C 13 24.967 0 . 1 . . . . A 7 LYS CG . 36102 1 75 . 1 . 1 7 7 LYS CD C 13 29.326 0 . 1 . . . . A 7 LYS CD . 36102 1 76 . 1 . 1 7 7 LYS CE C 13 41.814 0 . 1 . . . . A 7 LYS CE . 36102 1 77 . 1 . 1 7 7 LYS N N 15 136.938 0 . 1 . . . . A 7 LYS N . 36102 1 78 . 1 . 1 8 8 TRP H H 1 7.311 0 . 1 . . . . A 8 TRP H . 36102 1 79 . 1 . 1 8 8 TRP HA H 1 4.774 0 . 1 . . . . A 8 TRP HA . 36102 1 80 . 1 . 1 8 8 TRP HB2 H 1 3.497 0 . . . . . . A 8 TRP HB2 . 36102 1 81 . 1 . 1 8 8 TRP HB3 H 1 3.359 0 . . . . . . A 8 TRP HB3 . 36102 1 82 . 1 . 1 8 8 TRP HD1 H 1 7.265 0 . 1 . . . . A 8 TRP HD1 . 36102 1 83 . 1 . 1 8 8 TRP HE1 H 1 10.38 0 . 1 . . . . A 8 TRP HE1 . 36102 1 84 . 1 . 1 8 8 TRP C C 13 173.929 0 . 1 . . . . A 8 TRP C . 36102 1 85 . 1 . 1 8 8 TRP CA C 13 55.786 0 . 1 . . . . A 8 TRP CA . 36102 1 86 . 1 . 1 8 8 TRP CB C 13 31.329 0 . 1 . . . . A 8 TRP CB . 36102 1 87 . 1 . 1 8 8 TRP N N 15 110.655 0 . 1 . . . . A 8 TRP N . 36102 1 88 . 1 . 1 8 8 TRP NE1 N 15 129.62 0 . 1 . . . . A 8 TRP NE1 . 36102 1 89 . 1 . 1 9 9 PHE H H 1 8.883 0 . 1 . . . . A 9 PHE H . 36102 1 90 . 1 . 1 9 9 PHE HA H 1 4.314 0 . 1 . . . . A 9 PHE HA . 36102 1 91 . 1 . 1 9 9 PHE HB2 H 1 2.916 0 . . . . . . A 9 PHE HB2 . 36102 1 92 . 1 . 1 9 9 PHE HB3 H 1 2.423 0 . . . . . . A 9 PHE HB3 . 36102 1 93 . 1 . 1 9 9 PHE HD1 H 1 6.726 0 . . . . . . A 9 PHE HD1 . 36102 1 94 . 1 . 1 9 9 PHE HD2 H 1 6.726 0 . . . . . . A 9 PHE HD2 . 36102 1 95 . 1 . 1 9 9 PHE HE1 H 1 6.966 0 . . . . . . A 9 PHE HE1 . 36102 1 96 . 1 . 1 9 9 PHE HE2 H 1 6.966 0 . . . . . . A 9 PHE HE2 . 36102 1 97 . 1 . 1 9 9 PHE C C 13 172.882 0 . 1 . . . . A 9 PHE C . 36102 1 98 . 1 . 1 9 9 PHE CA C 13 59.146 0 . 1 . . . . A 9 PHE CA . 36102 1 99 . 1 . 1 9 9 PHE CB C 13 42.614 0 . 1 . . . . A 9 PHE CB . 36102 1 100 . 1 . 1 9 9 PHE N N 15 120.455 0 . 1 . . . . A 9 PHE N . 36102 1 101 . 1 . 1 10 10 ASN H H 1 8.094 0 . 1 . . . . A 10 ASN H . 36102 1 102 . 1 . 1 10 10 ASN HA H 1 4.941 0 . 1 . . . . A 10 ASN HA . 36102 1 103 . 1 . 1 10 10 ASN HB2 H 1 2.57 0 . . . . . . A 10 ASN HB2 . 36102 1 104 . 1 . 1 10 10 ASN HB3 H 1 2.46 0 . . . . . . A 10 ASN HB3 . 36102 1 105 . 1 . 1 10 10 ASN HD21 H 1 7.532 0 . . . . . . A 10 ASN HD21 . 36102 1 106 . 1 . 1 10 10 ASN HD22 H 1 7.291 0 . . . . . . A 10 ASN HD22 . 36102 1 107 . 1 . 1 10 10 ASN C C 13 174.662 0 . 1 . . . . A 10 ASN C . 36102 1 108 . 1 . 1 10 10 ASN CA C 13 51.509 0 . 1 . . . . A 10 ASN CA . 36102 1 109 . 1 . 1 10 10 ASN CB C 13 39.432 0 . 1 . . . . A 10 ASN CB . 36102 1 110 . 1 . 1 10 10 ASN N N 15 127.177 0 . 1 . . . . A 10 ASN N . 36102 1 111 . 1 . 1 10 10 ASN ND2 N 15 113.138 0 . 1 . . . . A 10 ASN ND2 . 36102 1 112 . 1 . 1 11 11 SER H H 1 9.08 0 . 1 . . . . A 11 SER H . 36102 1 113 . 1 . 1 11 11 SER HA H 1 4.139 0 . 1 . . . . A 11 SER HA . 36102 1 114 . 1 . 1 11 11 SER HB2 H 1 4.146 0 . . . . . . A 11 SER HB2 . 36102 1 115 . 1 . 1 11 11 SER HB3 H 1 4.044 0 . . . . . . A 11 SER HB3 . 36102 1 116 . 1 . 1 11 11 SER C C 13 175.527 0 . 1 . . . . A 11 SER C . 36102 1 117 . 1 . 1 11 11 SER CA C 13 61.249 0 . 1 . . . . A 11 SER CA . 36102 1 118 . 1 . 1 11 11 SER CB C 13 63.047 0 . 1 . . . . A 11 SER CB . 36102 1 119 . 1 . 1 11 11 SER N N 15 122.061 0 . 1 . . . . A 11 SER N . 36102 1 120 . 1 . 1 12 12 ASP H H 1 8.076 0 . 1 . . . . A 12 ASP H . 36102 1 121 . 1 . 1 12 12 ASP HA H 1 4.441 0 . 1 . . . . A 12 ASP HA . 36102 1 122 . 1 . 1 12 12 ASP HB2 H 1 2.814 0 . . . . . . A 12 ASP HB2 . 36102 1 123 . 1 . 1 12 12 ASP HB3 H 1 2.699 0 . . . . . . A 12 ASP HB3 . 36102 1 124 . 1 . 1 12 12 ASP C C 13 177.689 0 . 1 . . . . A 12 ASP C . 36102 1 125 . 1 . 1 12 12 ASP CA C 13 57.068 0 . 1 . . . . A 12 ASP CA . 36102 1 126 . 1 . 1 12 12 ASP CB C 13 40.833 0 . 1 . . . . A 12 ASP CB . 36102 1 127 . 1 . 1 12 12 ASP N N 15 122.001 0 . 1 . . . . A 12 ASP N . 36102 1 128 . 1 . 1 13 13 LYS H H 1 7.525 0 . 1 . . . . A 13 LYS H . 36102 1 129 . 1 . 1 13 13 LYS HA H 1 4.238 0 . 1 . . . . A 13 LYS HA . 36102 1 130 . 1 . 1 13 13 LYS HB2 H 1 1.826 0 . . . . . . A 13 LYS HB2 . 36102 1 131 . 1 . 1 13 13 LYS HB3 H 1 1.118 0 . . . . . . A 13 LYS HB3 . 36102 1 132 . 1 . 1 13 13 LYS HG2 H 1 1.428 0 . . . . . . A 13 LYS HG2 . 36102 1 133 . 1 . 1 13 13 LYS HG3 H 1 1.363 0 . . . . . . A 13 LYS HG3 . 36102 1 134 . 1 . 1 13 13 LYS HD2 H 1 1.728 0 . . . . . . A 13 LYS HD2 . 36102 1 135 . 1 . 1 13 13 LYS HD3 H 1 1.554 0 . . . . . . A 13 LYS HD3 . 36102 1 136 . 1 . 1 13 13 LYS C C 13 177.534 0 . 1 . . . . A 13 LYS C . 36102 1 137 . 1 . 1 13 13 LYS CA C 13 56.355 0 . 1 . . . . A 13 LYS CA . 36102 1 138 . 1 . 1 13 13 LYS CB C 13 33.745 0 . 1 . . . . A 13 LYS CB . 36102 1 139 . 1 . 1 13 13 LYS CG C 13 25.574 0 . 1 . . . . A 13 LYS CG . 36102 1 140 . 1 . 1 13 13 LYS CD C 13 29.062 0 . 1 . . . . A 13 LYS CD . 36102 1 141 . 1 . 1 13 13 LYS CE C 13 42.243 0 . 1 . . . . A 13 LYS CE . 36102 1 142 . 1 . 1 13 13 LYS N N 15 116.057 0 . 1 . . . . A 13 LYS N . 36102 1 143 . 1 . 1 14 14 GLY H H 1 8.136 0 . 1 . . . . A 14 GLY H . 36102 1 144 . 1 . 1 14 14 GLY HA2 H 1 4.036 0 . . . . . . A 14 GLY HA2 . 36102 1 145 . 1 . 1 14 14 GLY HA3 H 1 3.768 0 . . . . . . A 14 GLY HA3 . 36102 1 146 . 1 . 1 14 14 GLY C C 13 172.834 0 . 1 . . . . A 14 GLY C . 36102 1 147 . 1 . 1 14 14 GLY CA C 13 46.296 0 . 1 . . . . A 14 GLY CA . 36102 1 148 . 1 . 1 14 14 GLY N N 15 107.789 0 . 1 . . . . A 14 GLY N . 36102 1 149 . 1 . 1 15 15 PHE H H 1 6.795 0 . 1 . . . . A 15 PHE H . 36102 1 150 . 1 . 1 15 15 PHE HA H 1 5.022 0 . 1 . . . . A 15 PHE HA . 36102 1 151 . 1 . 1 15 15 PHE HB2 H 1 2.979 0 . . . . . . A 15 PHE HB2 . 36102 1 152 . 1 . 1 15 15 PHE HB3 H 1 2.854 0 . . . . . . A 15 PHE HB3 . 36102 1 153 . 1 . 1 15 15 PHE HD1 H 1 6.908 0 . . . . . . A 15 PHE HD1 . 36102 1 154 . 1 . 1 15 15 PHE HD2 H 1 6.908 0 . . . . . . A 15 PHE HD2 . 36102 1 155 . 1 . 1 15 15 PHE C C 13 171.613 0 . 1 . . . . A 15 PHE C . 36102 1 156 . 1 . 1 15 15 PHE CA C 13 55.346 0 . 1 . . . . A 15 PHE CA . 36102 1 157 . 1 . 1 15 15 PHE CB C 13 42.076 0 . 1 . . . . A 15 PHE CB . 36102 1 158 . 1 . 1 15 15 PHE N N 15 113.767 0 . 1 . . . . A 15 PHE N . 36102 1 159 . 1 . 1 16 16 GLY H H 1 8.061 0 . 1 . . . . A 16 GLY H . 36102 1 160 . 1 . 1 16 16 GLY HA2 H 1 3.882 0 . . . . . . A 16 GLY HA2 . 36102 1 161 . 1 . 1 16 16 GLY HA3 H 1 3.882 0 . . . . . . A 16 GLY HA3 . 36102 1 162 . 1 . 1 16 16 GLY C C 13 170.341 0 . 1 . . . . A 16 GLY C . 36102 1 163 . 1 . 1 16 16 GLY CA C 13 45.216 0 . 1 . . . . A 16 GLY CA . 36102 1 164 . 1 . 1 16 16 GLY N N 15 105.95 0 . 1 . . . . A 16 GLY N . 36102 1 165 . 1 . 1 17 17 PHE H H 1 7.976 0 . 1 . . . . A 17 PHE H . 36102 1 166 . 1 . 1 17 17 PHE HA H 1 5.299 0 . 1 . . . . A 17 PHE HA . 36102 1 167 . 1 . 1 17 17 PHE HB2 H 1 2.528 0 . . . . . . A 17 PHE HB2 . 36102 1 168 . 1 . 1 17 17 PHE HB3 H 1 2.087 0 . . . . . . A 17 PHE HB3 . 36102 1 169 . 1 . 1 17 17 PHE HD1 H 1 6.632 0 . . . . . . A 17 PHE HD1 . 36102 1 170 . 1 . 1 17 17 PHE HD2 H 1 6.632 0 . . . . . . A 17 PHE HD2 . 36102 1 171 . 1 . 1 17 17 PHE C C 13 174.72 0 . 1 . . . . A 17 PHE C . 36102 1 172 . 1 . 1 17 17 PHE CA C 13 56.733 0 . 1 . . . . A 17 PHE CA . 36102 1 173 . 1 . 1 17 17 PHE CB C 13 45.132 0 . 1 . . . . A 17 PHE CB . 36102 1 174 . 1 . 1 17 17 PHE N N 15 115.308 0 . 1 . . . . A 17 PHE N . 36102 1 175 . 1 . 1 18 18 ILE H H 1 9.485 0 . 1 . . . . A 18 ILE H . 36102 1 176 . 1 . 1 18 18 ILE HA H 1 4.352 0 . 1 . . . . A 18 ILE HA . 36102 1 177 . 1 . 1 18 18 ILE HB H 1 1.098 0 . 1 . . . . A 18 ILE HB . 36102 1 178 . 1 . 1 18 18 ILE HG12 H 1 1.124 0 . . . . . . A 18 ILE HG12 . 36102 1 179 . 1 . 1 18 18 ILE HG13 H 1 0.577 0 . . . . . . A 18 ILE HG13 . 36102 1 180 . 1 . 1 18 18 ILE HG21 H 1 0.241 0 . 1 . . . . A 18 ILE HG21 . 36102 1 181 . 1 . 1 18 18 ILE HG22 H 1 0.241 0 . 1 . . . . A 18 ILE HG22 . 36102 1 182 . 1 . 1 18 18 ILE HG23 H 1 0.241 0 . 1 . . . . A 18 ILE HG23 . 36102 1 183 . 1 . 1 18 18 ILE HD11 H 1 0.182 0 . 1 . . . . A 18 ILE HD11 . 36102 1 184 . 1 . 1 18 18 ILE HD12 H 1 0.182 0 . 1 . . . . A 18 ILE HD12 . 36102 1 185 . 1 . 1 18 18 ILE HD13 H 1 0.182 0 . 1 . . . . A 18 ILE HD13 . 36102 1 186 . 1 . 1 18 18 ILE C C 13 174.574 0 . 1 . . . . A 18 ILE C . 36102 1 187 . 1 . 1 18 18 ILE CA C 13 59.08 0 . 1 . . . . A 18 ILE CA . 36102 1 188 . 1 . 1 18 18 ILE CB C 13 42.458 0 . 1 . . . . A 18 ILE CB . 36102 1 189 . 1 . 1 18 18 ILE CG1 C 13 28.478 0 . 1 . . . . A 18 ILE CG1 . 36102 1 190 . 1 . 1 18 18 ILE CG2 C 13 16.656 0 . 1 . . . . A 18 ILE CG2 . 36102 1 191 . 1 . 1 18 18 ILE CD1 C 13 14.612 0 . 1 . . . . A 18 ILE CD1 . 36102 1 192 . 1 . 1 18 18 ILE N N 15 122.229 0 . 1 . . . . A 18 ILE N . 36102 1 193 . 1 . 1 19 19 THR H H 1 9.533 0 . 1 . . . . A 19 THR H . 36102 1 194 . 1 . 1 19 19 THR HA H 1 5.147 0 . 1 . . . . A 19 THR HA . 36102 1 195 . 1 . 1 19 19 THR HB H 1 3.887 0 . 1 . . . . A 19 THR HB . 36102 1 196 . 1 . 1 19 19 THR HG21 H 1 1.349 0 . 1 . . . . A 19 THR HG21 . 36102 1 197 . 1 . 1 19 19 THR HG22 H 1 1.349 0 . 1 . . . . A 19 THR HG22 . 36102 1 198 . 1 . 1 19 19 THR HG23 H 1 1.349 0 . 1 . . . . A 19 THR HG23 . 36102 1 199 . 1 . 1 19 19 THR CA C 13 59.653 0 . 1 . . . . A 19 THR CA . 36102 1 200 . 1 . 1 19 19 THR CB C 13 70.744 0 . 1 . . . . A 19 THR CB . 36102 1 201 . 1 . 1 19 19 THR CG2 C 13 22.253 0 . 1 . . . . A 19 THR CG2 . 36102 1 202 . 1 . 1 19 19 THR N N 15 126.678 0 . 1 . . . . A 19 THR N . 36102 1 203 . 1 . 1 20 20 PRO HA H 1 4.613 0 . 1 . . . . A 20 PRO HA . 36102 1 204 . 1 . 1 20 20 PRO HB2 H 1 2.517 0 . . . . . . A 20 PRO HB2 . 36102 1 205 . 1 . 1 20 20 PRO HB3 H 1 2.048 0 . . . . . . A 20 PRO HB3 . 36102 1 206 . 1 . 1 20 20 PRO HG2 H 1 2.058 0 . . . . . . A 20 PRO HG2 . 36102 1 207 . 1 . 1 20 20 PRO HG3 H 1 1.767 0 . . . . . . A 20 PRO HG3 . 36102 1 208 . 1 . 1 20 20 PRO HD2 H 1 4.343 0 . . . . . . A 20 PRO HD2 . 36102 1 209 . 1 . 1 20 20 PRO HD3 H 1 3.735 0 . . . . . . A 20 PRO HD3 . 36102 1 210 . 1 . 1 20 20 PRO C C 13 178.135 0 . 1 . . . . A 20 PRO C . 36102 1 211 . 1 . 1 20 20 PRO CA C 13 63.11 0 . 1 . . . . A 20 PRO CA . 36102 1 212 . 1 . 1 20 20 PRO CB C 13 34.367 0 . 1 . . . . A 20 PRO CB . 36102 1 213 . 1 . 1 20 20 PRO CG C 13 27.985 0 . 1 . . . . A 20 PRO CG . 36102 1 214 . 1 . 1 20 20 PRO CD C 13 52.983 0 . 1 . . . . A 20 PRO CD . 36102 1 215 . 1 . 1 21 21 GLU H H 1 8.878 0 . 1 . . . . A 21 GLU H . 36102 1 216 . 1 . 1 21 21 GLU HA H 1 4.271 0 . 1 . . . . A 21 GLU HA . 36102 1 217 . 1 . 1 21 21 GLU HB2 H 1 2.113 0 . . . . . . A 21 GLU HB2 . 36102 1 218 . 1 . 1 21 21 GLU HB3 H 1 1.98 0 . . . . . . A 21 GLU HB3 . 36102 1 219 . 1 . 1 21 21 GLU HG2 H 1 2.372 0 . . . . . . A 21 GLU HG2 . 36102 1 220 . 1 . 1 21 21 GLU HG3 H 1 2.224 0 . . . . . . A 21 GLU HG3 . 36102 1 221 . 1 . 1 21 21 GLU C C 13 176.875 0 . 1 . . . . A 21 GLU C . 36102 1 222 . 1 . 1 21 21 GLU CA C 13 58.505 0 . 1 . . . . A 21 GLU CA . 36102 1 223 . 1 . 1 21 21 GLU CB C 13 29.717 0 . 1 . . . . A 21 GLU CB . 36102 1 224 . 1 . 1 21 21 GLU CG C 13 35.805 0 . 1 . . . . A 21 GLU CG . 36102 1 225 . 1 . 1 21 21 GLU N N 15 123.177 0 . 1 . . . . A 21 GLU N . 36102 1 226 . 1 . 1 22 22 ASP H H 1 7.899 0 . 1 . . . . A 22 ASP H . 36102 1 227 . 1 . 1 22 22 ASP HA H 1 4.517 0 . 1 . . . . A 22 ASP HA . 36102 1 228 . 1 . 1 22 22 ASP HB2 H 1 3.138 0 . . . . . . A 22 ASP HB2 . 36102 1 229 . 1 . 1 22 22 ASP HB3 H 1 2.67 0 . . . . . . A 22 ASP HB3 . 36102 1 230 . 1 . 1 22 22 ASP C C 13 177.645 0 . 1 . . . . A 22 ASP C . 36102 1 231 . 1 . 1 22 22 ASP CA C 13 53.912 0 . 1 . . . . A 22 ASP CA . 36102 1 232 . 1 . 1 22 22 ASP CB C 13 40.21 0 . 1 . . . . A 22 ASP CB . 36102 1 233 . 1 . 1 22 22 ASP N N 15 115.591 0 . 1 . . . . A 22 ASP N . 36102 1 234 . 1 . 1 23 23 GLY H H 1 7.768 0 . 1 . . . . A 23 GLY H . 36102 1 235 . 1 . 1 23 23 GLY HA2 H 1 4.154 0 . . . . . . A 23 GLY HA2 . 36102 1 236 . 1 . 1 23 23 GLY HA3 H 1 3.83 0 . . . . . . A 23 GLY HA3 . 36102 1 237 . 1 . 1 23 23 GLY C C 13 174.572 0 . 1 . . . . A 23 GLY C . 36102 1 238 . 1 . 1 23 23 GLY CA C 13 45.882 0 . 1 . . . . A 23 GLY CA . 36102 1 239 . 1 . 1 23 23 GLY N N 15 107.605 0 . 1 . . . . A 23 GLY N . 36102 1 240 . 1 . 1 24 24 SER H H 1 7.973 0 . 1 . . . . A 24 SER H . 36102 1 241 . 1 . 1 24 24 SER HA H 1 4.36 0 . 1 . . . . A 24 SER HA . 36102 1 242 . 1 . 1 24 24 SER HB2 H 1 4.182 0 . . . . . . A 24 SER HB2 . 36102 1 243 . 1 . 1 24 24 SER HB3 H 1 3.935 0 . . . . . . A 24 SER HB3 . 36102 1 244 . 1 . 1 24 24 SER C C 13 172.288 0 . 1 . . . . A 24 SER C . 36102 1 245 . 1 . 1 24 24 SER CA C 13 58.737 0 . 1 . . . . A 24 SER CA . 36102 1 246 . 1 . 1 24 24 SER CB C 13 63.48 0 . 1 . . . . A 24 SER CB . 36102 1 247 . 1 . 1 24 24 SER N N 15 115.469 0 . 1 . . . . A 24 SER N . 36102 1 248 . 1 . 1 25 25 LYS H H 1 7.678 0 . 1 . . . . A 25 LYS H . 36102 1 249 . 1 . 1 25 25 LYS HA H 1 4.061 0 . 1 . . . . A 25 LYS HA . 36102 1 250 . 1 . 1 25 25 LYS HB2 H 1 1.83 0 . . . . . . A 25 LYS HB2 . 36102 1 251 . 1 . 1 25 25 LYS HB3 H 1 1.734 0 . . . . . . A 25 LYS HB3 . 36102 1 252 . 1 . 1 25 25 LYS HG2 H 1 1.585 0 . . . . . . A 25 LYS HG2 . 36102 1 253 . 1 . 1 25 25 LYS HG3 H 1 1.585 0 . . . . . . A 25 LYS HG3 . 36102 1 254 . 1 . 1 25 25 LYS HE2 H 1 3.056 0 . . . . . . A 25 LYS HE2 . 36102 1 255 . 1 . 1 25 25 LYS HE3 H 1 3.056 0 . . . . . . A 25 LYS HE3 . 36102 1 256 . 1 . 1 25 25 LYS C C 13 175.345 0 . 1 . . . . A 25 LYS C . 36102 1 257 . 1 . 1 25 25 LYS CA C 13 57.356 0 . 1 . . . . A 25 LYS CA . 36102 1 258 . 1 . 1 25 25 LYS CB C 13 33.353 0 . 1 . . . . A 25 LYS CB . 36102 1 259 . 1 . 1 25 25 LYS CG C 13 24.696 0 . 1 . . . . A 25 LYS CG . 36102 1 260 . 1 . 1 25 25 LYS CD C 13 29.332 0 . 1 . . . . A 25 LYS CD . 36102 1 261 . 1 . 1 25 25 LYS CE C 13 42.163 0 . 1 . . . . A 25 LYS CE . 36102 1 262 . 1 . 1 25 25 LYS N N 15 117.328 0 . 1 . . . . A 25 LYS N . 36102 1 263 . 1 . 1 26 26 ASP H H 1 7.932 0 . 1 . . . . A 26 ASP H . 36102 1 264 . 1 . 1 26 26 ASP HA H 1 4.858 0 . 1 . . . . A 26 ASP HA . 36102 1 265 . 1 . 1 26 26 ASP HB2 H 1 2.39 0 . . . . . . A 26 ASP HB2 . 36102 1 266 . 1 . 1 26 26 ASP HB3 H 1 2.39 0 . . . . . . A 26 ASP HB3 . 36102 1 267 . 1 . 1 26 26 ASP C C 13 176.342 0 . 1 . . . . A 26 ASP C . 36102 1 268 . 1 . 1 26 26 ASP CA C 13 55.679 0 . 1 . . . . A 26 ASP CA . 36102 1 269 . 1 . 1 26 26 ASP CB C 13 41.61 0 . 1 . . . . A 26 ASP CB . 36102 1 270 . 1 . 1 26 26 ASP N N 15 119.171 0 . 1 . . . . A 26 ASP N . 36102 1 271 . 1 . 1 27 27 LEU H H 1 9.324 0 . 1 . . . . A 27 LEU H . 36102 1 272 . 1 . 1 27 27 LEU HA H 1 4.605 0 . 1 . . . . A 27 LEU HA . 36102 1 273 . 1 . 1 27 27 LEU HB2 H 1 1.294 0 . . . . . . A 27 LEU HB2 . 36102 1 274 . 1 . 1 27 27 LEU HB3 H 1 1.156 0 . . . . . . A 27 LEU HB3 . 36102 1 275 . 1 . 1 27 27 LEU HG H 1 1.602 0 . 1 . . . . A 27 LEU HG . 36102 1 276 . 1 . 1 27 27 LEU HD11 H 1 0.693 0 . . . . . . A 27 LEU HD11 . 36102 1 277 . 1 . 1 27 27 LEU HD12 H 1 0.693 0 . . . . . . A 27 LEU HD12 . 36102 1 278 . 1 . 1 27 27 LEU HD13 H 1 0.693 0 . . . . . . A 27 LEU HD13 . 36102 1 279 . 1 . 1 27 27 LEU HD21 H 1 0.693 0 . . . . . . A 27 LEU HD21 . 36102 1 280 . 1 . 1 27 27 LEU HD22 H 1 0.693 0 . . . . . . A 27 LEU HD22 . 36102 1 281 . 1 . 1 27 27 LEU HD23 H 1 0.693 0 . . . . . . A 27 LEU HD23 . 36102 1 282 . 1 . 1 27 27 LEU C C 13 175.543 0 . 1 . . . . A 27 LEU C . 36102 1 283 . 1 . 1 27 27 LEU CA C 13 53.31 0 . 1 . . . . A 27 LEU CA . 36102 1 284 . 1 . 1 27 27 LEU CB C 13 46.066 0 . 1 . . . . A 27 LEU CB . 36102 1 285 . 1 . 1 27 27 LEU CG C 13 26.7 0 . 1 . . . . A 27 LEU CG . 36102 1 286 . 1 . 1 27 27 LEU CD1 C 13 25.646 0 . . . . . . A 27 LEU CD1 . 36102 1 287 . 1 . 1 27 27 LEU CD2 C 13 25.646 0 . . . . . . A 27 LEU CD2 . 36102 1 288 . 1 . 1 27 27 LEU N N 15 121.942 0 . 1 . . . . A 27 LEU N . 36102 1 289 . 1 . 1 28 28 PHE H H 1 8.32 0 . 1 . . . . A 28 PHE H . 36102 1 290 . 1 . 1 28 28 PHE HA H 1 3.741 0 . 1 . . . . A 28 PHE HA . 36102 1 291 . 1 . 1 28 28 PHE HB2 H 1 2.989 0 . . . . . . A 28 PHE HB2 . 36102 1 292 . 1 . 1 28 28 PHE HB3 H 1 2.671 0 . . . . . . A 28 PHE HB3 . 36102 1 293 . 1 . 1 28 28 PHE HD1 H 1 6.82 0 . . . . . . A 28 PHE HD1 . 36102 1 294 . 1 . 1 28 28 PHE HD2 H 1 6.82 0 . . . . . . A 28 PHE HD2 . 36102 1 295 . 1 . 1 28 28 PHE C C 13 172.86 0 . 1 . . . . A 28 PHE C . 36102 1 296 . 1 . 1 28 28 PHE CA C 13 58.48 0 . 1 . . . . A 28 PHE CA . 36102 1 297 . 1 . 1 28 28 PHE CB C 13 40.366 0 . 1 . . . . A 28 PHE CB . 36102 1 298 . 1 . 1 28 28 PHE N N 15 126.353 0 . 1 . . . . A 28 PHE N . 36102 1 299 . 1 . 1 29 29 VAL H H 1 7.714 0 . 1 . . . . A 29 VAL H . 36102 1 300 . 1 . 1 29 29 VAL HA H 1 4.671 0 . 1 . . . . A 29 VAL HA . 36102 1 301 . 1 . 1 29 29 VAL HB H 1 1.549 0 . 1 . . . . A 29 VAL HB . 36102 1 302 . 1 . 1 29 29 VAL HG11 H 1 0.61 0 . . . . . . A 29 VAL HG11 . 36102 1 303 . 1 . 1 29 29 VAL HG12 H 1 0.61 0 . . . . . . A 29 VAL HG12 . 36102 1 304 . 1 . 1 29 29 VAL HG13 H 1 0.61 0 . . . . . . A 29 VAL HG13 . 36102 1 305 . 1 . 1 29 29 VAL HG21 H 1 0.452 0 . . . . . . A 29 VAL HG21 . 36102 1 306 . 1 . 1 29 29 VAL HG22 H 1 0.452 0 . . . . . . A 29 VAL HG22 . 36102 1 307 . 1 . 1 29 29 VAL HG23 H 1 0.452 0 . . . . . . A 29 VAL HG23 . 36102 1 308 . 1 . 1 29 29 VAL C C 13 170.843 0 . 1 . . . . A 29 VAL C . 36102 1 309 . 1 . 1 29 29 VAL CA C 13 58.095 0 . 1 . . . . A 29 VAL CA . 36102 1 310 . 1 . 1 29 29 VAL CB C 13 34.428 0 . 1 . . . . A 29 VAL CB . 36102 1 311 . 1 . 1 29 29 VAL CG1 C 13 22.648 0 . . . . . . A 29 VAL CG1 . 36102 1 312 . 1 . 1 29 29 VAL CG2 C 13 18.215 0 . . . . . . A 29 VAL CG2 . 36102 1 313 . 1 . 1 29 29 VAL N N 15 124.18 0 . 1 . . . . A 29 VAL N . 36102 1 314 . 1 . 1 30 30 HIS H H 1 9.048 0 . 1 . . . . A 30 HIS H . 36102 1 315 . 1 . 1 30 30 HIS HA H 1 4.663 0 . 1 . . . . A 30 HIS HA . 36102 1 316 . 1 . 1 30 30 HIS HB2 H 1 3.181 0 . . . . . . A 30 HIS HB2 . 36102 1 317 . 1 . 1 30 30 HIS HB3 H 1 2.909 0 . . . . . . A 30 HIS HB3 . 36102 1 318 . 1 . 1 30 30 HIS HD2 H 1 6.861 0 . 1 . . . . A 30 HIS HD2 . 36102 1 319 . 1 . 1 30 30 HIS C C 13 177.226 0 . 1 . . . . A 30 HIS C . 36102 1 320 . 1 . 1 30 30 HIS CA C 13 56.216 0 . 1 . . . . A 30 HIS CA . 36102 1 321 . 1 . 1 30 30 HIS CB C 13 34.498 0 . 1 . . . . A 30 HIS CB . 36102 1 322 . 1 . 1 30 30 HIS N N 15 127.455 0 . 1 . . . . A 30 HIS N . 36102 1 323 . 1 . 1 31 31 HIS H H 1 8.21 0 . 1 . . . . A 31 HIS H . 36102 1 324 . 1 . 1 31 31 HIS HA H 1 4.061 0 . 1 . . . . A 31 HIS HA . 36102 1 325 . 1 . 1 31 31 HIS HB2 H 1 3.386 0 . . . . . . A 31 HIS HB2 . 36102 1 326 . 1 . 1 31 31 HIS HB3 H 1 3.11 0 . . . . . . A 31 HIS HB3 . 36102 1 327 . 1 . 1 31 31 HIS HD2 H 1 6.67 0 . 1 . . . . A 31 HIS HD2 . 36102 1 328 . 1 . 1 31 31 HIS C C 13 175.836 0 . 1 . . . . A 31 HIS C . 36102 1 329 . 1 . 1 31 31 HIS CA C 13 58.963 0 . 1 . . . . A 31 HIS CA . 36102 1 330 . 1 . 1 31 31 HIS CB C 13 28.714 0 . 1 . . . . A 31 HIS CB . 36102 1 331 . 1 . 1 31 31 HIS N N 15 121.875 0 . 1 . . . . A 31 HIS N . 36102 1 332 . 1 . 1 32 32 SER H H 1 8.258 0 . 1 . . . . A 32 SER H . 36102 1 333 . 1 . 1 32 32 SER HA H 1 4.101 0 . 1 . . . . A 32 SER HA . 36102 1 334 . 1 . 1 32 32 SER HB2 H 1 4.01 0 . . . . . . A 32 SER HB2 . 36102 1 335 . 1 . 1 32 32 SER HB3 H 1 3.853 0 . . . . . . A 32 SER HB3 . 36102 1 336 . 1 . 1 32 32 SER C C 13 175.448 0 . 1 . . . . A 32 SER C . 36102 1 337 . 1 . 1 32 32 SER CA C 13 60.995 0 . 1 . . . . A 32 SER CA . 36102 1 338 . 1 . 1 32 32 SER CB C 13 62.605 0 . 1 . . . . A 32 SER CB . 36102 1 339 . 1 . 1 32 32 SER N N 15 117.244 0 . 1 . . . . A 32 SER N . 36102 1 340 . 1 . 1 33 33 GLU H H 1 7.849 0 . 1 . . . . A 33 GLU H . 36102 1 341 . 1 . 1 33 33 GLU HA H 1 4.384 0 . 1 . . . . A 33 GLU HA . 36102 1 342 . 1 . 1 33 33 GLU HB2 H 1 2.681 0 . . . . . . A 33 GLU HB2 . 36102 1 343 . 1 . 1 33 33 GLU HB3 H 1 2.011 0 . . . . . . A 33 GLU HB3 . 36102 1 344 . 1 . 1 33 33 GLU HG2 H 1 3 0 . . . . . . A 33 GLU HG2 . 36102 1 345 . 1 . 1 33 33 GLU HG3 H 1 2.28 0 . . . . . . A 33 GLU HG3 . 36102 1 346 . 1 . 1 33 33 GLU C C 13 176.32 0 . 1 . . . . A 33 GLU C . 36102 1 347 . 1 . 1 33 33 GLU CA C 13 55.945 0 . 1 . . . . A 33 GLU CA . 36102 1 348 . 1 . 1 33 33 GLU CB C 13 30.455 0 . 1 . . . . A 33 GLU CB . 36102 1 349 . 1 . 1 33 33 GLU CG C 13 36.057 0 . 1 . . . . A 33 GLU CG . 36102 1 350 . 1 . 1 33 33 GLU N N 15 119.498 0 . 1 . . . . A 33 GLU N . 36102 1 351 . 1 . 1 34 34 ILE H H 1 7.398 0 . 1 . . . . A 34 ILE H . 36102 1 352 . 1 . 1 34 34 ILE HA H 1 4.07 0 . 1 . . . . A 34 ILE HA . 36102 1 353 . 1 . 1 34 34 ILE HB H 1 1.693 0 . 1 . . . . A 34 ILE HB . 36102 1 354 . 1 . 1 34 34 ILE HG12 H 1 1.521 0 . . . . . . A 34 ILE HG12 . 36102 1 355 . 1 . 1 34 34 ILE HG13 H 1 1.521 0 . . . . . . A 34 ILE HG13 . 36102 1 356 . 1 . 1 34 34 ILE HG21 H 1 0.614 0 . 1 . . . . A 34 ILE HG21 . 36102 1 357 . 1 . 1 34 34 ILE HG22 H 1 0.614 0 . 1 . . . . A 34 ILE HG22 . 36102 1 358 . 1 . 1 34 34 ILE HG23 H 1 0.614 0 . 1 . . . . A 34 ILE HG23 . 36102 1 359 . 1 . 1 34 34 ILE HD11 H 1 0.314 0 . 1 . . . . A 34 ILE HD11 . 36102 1 360 . 1 . 1 34 34 ILE HD12 H 1 0.314 0 . 1 . . . . A 34 ILE HD12 . 36102 1 361 . 1 . 1 34 34 ILE HD13 H 1 0.314 0 . 1 . . . . A 34 ILE HD13 . 36102 1 362 . 1 . 1 34 34 ILE C C 13 176.262 0 . 1 . . . . A 34 ILE C . 36102 1 363 . 1 . 1 34 34 ILE CA C 13 62.297 0 . 1 . . . . A 34 ILE CA . 36102 1 364 . 1 . 1 34 34 ILE CB C 13 37.69 0 . 1 . . . . A 34 ILE CB . 36102 1 365 . 1 . 1 34 34 ILE CG1 C 13 27.321 0 . 1 . . . . A 34 ILE CG1 . 36102 1 366 . 1 . 1 34 34 ILE CG2 C 13 17.187 0 . 1 . . . . A 34 ILE CG2 . 36102 1 367 . 1 . 1 34 34 ILE CD1 C 13 14.65 0 . 1 . . . . A 34 ILE CD1 . 36102 1 368 . 1 . 1 34 34 ILE N N 15 121.474 0 . 1 . . . . A 34 ILE N . 36102 1 369 . 1 . 1 35 35 GLN H H 1 9.154 0 . 1 . . . . A 35 GLN H . 36102 1 370 . 1 . 1 35 35 GLN HA H 1 4.31 0 . 1 . . . . A 35 GLN HA . 36102 1 371 . 1 . 1 35 35 GLN HB2 H 1 2.048 0 . . . . . . A 35 GLN HB2 . 36102 1 372 . 1 . 1 35 35 GLN HB3 H 1 1.889 0 . . . . . . A 35 GLN HB3 . 36102 1 373 . 1 . 1 35 35 GLN HG2 H 1 2.196 0 . . . . . . A 35 GLN HG2 . 36102 1 374 . 1 . 1 35 35 GLN HG3 H 1 2.196 0 . . . . . . A 35 GLN HG3 . 36102 1 375 . 1 . 1 35 35 GLN HE21 H 1 7.008 0 . . . . . . A 35 GLN HE21 . 36102 1 376 . 1 . 1 35 35 GLN HE22 H 1 7.146 0 . . . . . . A 35 GLN HE22 . 36102 1 377 . 1 . 1 35 35 GLN C C 13 175.75 0 . 1 . . . . A 35 GLN C . 36102 1 378 . 1 . 1 35 35 GLN CA C 13 55.884 0 . 1 . . . . A 35 GLN CA . 36102 1 379 . 1 . 1 35 35 GLN CB C 13 28.996 0 . 1 . . . . A 35 GLN CB . 36102 1 380 . 1 . 1 35 35 GLN CG C 13 33.925 0 . 1 . . . . A 35 GLN CG . 36102 1 381 . 1 . 1 35 35 GLN N N 15 128.769 0 . 1 . . . . A 35 GLN N . 36102 1 382 . 1 . 1 35 35 GLN NE2 N 15 113.129 0 . 1 . . . . A 35 GLN NE2 . 36102 1 383 . 1 . 1 36 36 SER H H 1 8.221 0 . 1 . . . . A 36 SER H . 36102 1 384 . 1 . 1 36 36 SER HA H 1 4.477 0 . 1 . . . . A 36 SER HA . 36102 1 385 . 1 . 1 36 36 SER HB2 H 1 3.903 0 . . . . . . A 36 SER HB2 . 36102 1 386 . 1 . 1 36 36 SER HB3 H 1 3.759 0 . . . . . . A 36 SER HB3 . 36102 1 387 . 1 . 1 36 36 SER C C 13 174.833 0 . 1 . . . . A 36 SER C . 36102 1 388 . 1 . 1 36 36 SER CA C 13 58.11 0 . 1 . . . . A 36 SER CA . 36102 1 389 . 1 . 1 36 36 SER CB C 13 64.401 0 . 1 . . . . A 36 SER CB . 36102 1 390 . 1 . 1 36 36 SER N N 15 116.539 0 . 1 . . . . A 36 SER N . 36102 1 391 . 1 . 1 37 37 GLY H H 1 8.584 0 . 1 . . . . A 37 GLY H . 36102 1 392 . 1 . 1 37 37 GLY HA2 H 1 4.038 0 . . . . . . A 37 GLY HA2 . 36102 1 393 . 1 . 1 37 37 GLY HA3 H 1 3.901 0 . . . . . . A 37 GLY HA3 . 36102 1 394 . 1 . 1 37 37 GLY C C 13 174.737 0 . 1 . . . . A 37 GLY C . 36102 1 395 . 1 . 1 37 37 GLY CA C 13 45.595 0 . 1 . . . . A 37 GLY CA . 36102 1 396 . 1 . 1 37 37 GLY N N 15 110.908 0 . 1 . . . . A 37 GLY N . 36102 1 397 . 1 . 1 38 38 GLY H H 1 8.288 0 . 1 . . . . A 38 GLY H . 36102 1 398 . 1 . 1 38 38 GLY HA2 H 1 4.023 0 . . . . . . A 38 GLY HA2 . 36102 1 399 . 1 . 1 38 38 GLY HA3 H 1 3.918 0 . . . . . . A 38 GLY HA3 . 36102 1 400 . 1 . 1 38 38 GLY C C 13 174.337 0 . 1 . . . . A 38 GLY C . 36102 1 401 . 1 . 1 38 38 GLY CA C 13 45.039 0 . 1 . . . . A 38 GLY CA . 36102 1 402 . 1 . 1 38 38 GLY N N 15 108.956 0 . 1 . . . . A 38 GLY N . 36102 1 403 . 1 . 1 39 39 GLU H H 1 8.435 0 . 1 . . . . A 39 GLU H . 36102 1 404 . 1 . 1 39 39 GLU HA H 1 4.089 0 . 1 . . . . A 39 GLU HA . 36102 1 405 . 1 . 1 39 39 GLU HB2 H 1 1.808 0 . . . . . . A 39 GLU HB2 . 36102 1 406 . 1 . 1 39 39 GLU HB3 H 1 1.808 0 . . . . . . A 39 GLU HB3 . 36102 1 407 . 1 . 1 39 39 GLU HG2 H 1 2.107 0 . . . . . . A 39 GLU HG2 . 36102 1 408 . 1 . 1 39 39 GLU HG3 H 1 2.014 0 . . . . . . A 39 GLU HG3 . 36102 1 409 . 1 . 1 39 39 GLU C C 13 176.305 0 . 1 . . . . A 39 GLU C . 36102 1 410 . 1 . 1 39 39 GLU CA C 13 57.23 0 . 1 . . . . A 39 GLU CA . 36102 1 411 . 1 . 1 39 39 GLU CB C 13 30.137 0 . 1 . . . . A 39 GLU CB . 36102 1 412 . 1 . 1 39 39 GLU CG C 13 36.032 0 . 1 . . . . A 39 GLU CG . 36102 1 413 . 1 . 1 39 39 GLU N N 15 121.097 0 . 1 . . . . A 39 GLU N . 36102 1 414 . 1 . 1 40 40 TYR H H 1 8.141 0 . 1 . . . . A 40 TYR H . 36102 1 415 . 1 . 1 40 40 TYR HA H 1 4.522 0 . 1 . . . . A 40 TYR HA . 36102 1 416 . 1 . 1 40 40 TYR HB2 H 1 3.041 0 . . . . . . A 40 TYR HB2 . 36102 1 417 . 1 . 1 40 40 TYR HB3 H 1 2.831 0 . . . . . . A 40 TYR HB3 . 36102 1 418 . 1 . 1 40 40 TYR HD1 H 1 7.035 0 . . . . . . A 40 TYR HD1 . 36102 1 419 . 1 . 1 40 40 TYR HD2 H 1 7.035 0 . . . . . . A 40 TYR HD2 . 36102 1 420 . 1 . 1 40 40 TYR C C 13 174.912 0 . 1 . . . . A 40 TYR C . 36102 1 421 . 1 . 1 40 40 TYR CA C 13 57.529 0 . 1 . . . . A 40 TYR CA . 36102 1 422 . 1 . 1 40 40 TYR CB C 13 38.463 0 . 1 . . . . A 40 TYR CB . 36102 1 423 . 1 . 1 40 40 TYR N N 15 119.016 0 . 1 . . . . A 40 TYR N . 36102 1 424 . 1 . 1 41 41 ALA H H 1 7.995 0 . 1 . . . . A 41 ALA H . 36102 1 425 . 1 . 1 41 41 ALA HA H 1 4.248 0 . 1 . . . . A 41 ALA HA . 36102 1 426 . 1 . 1 41 41 ALA HB1 H 1 1.29 0 . 1 . . . . A 41 ALA HB1 . 36102 1 427 . 1 . 1 41 41 ALA HB2 H 1 1.29 0 . 1 . . . . A 41 ALA HB2 . 36102 1 428 . 1 . 1 41 41 ALA HB3 H 1 1.29 0 . 1 . . . . A 41 ALA HB3 . 36102 1 429 . 1 . 1 41 41 ALA C C 13 175.82 0 . 1 . . . . A 41 ALA C . 36102 1 430 . 1 . 1 41 41 ALA CA C 13 52.458 0 . 1 . . . . A 41 ALA CA . 36102 1 431 . 1 . 1 41 41 ALA CB C 13 19.853 0 . 1 . . . . A 41 ALA CB . 36102 1 432 . 1 . 1 41 41 ALA N N 15 126.674 0 . 1 . . . . A 41 ALA N . 36102 1 433 . 1 . 1 42 42 THR H H 1 7.766 0 . 1 . . . . A 42 THR H . 36102 1 434 . 1 . 1 42 42 THR HA H 1 4.09 0 . 1 . . . . A 42 THR HA . 36102 1 435 . 1 . 1 42 42 THR HB H 1 3.953 0 . 1 . . . . A 42 THR HB . 36102 1 436 . 1 . 1 42 42 THR HG21 H 1 1.059 0 . 1 . . . . A 42 THR HG21 . 36102 1 437 . 1 . 1 42 42 THR HG22 H 1 1.059 0 . 1 . . . . A 42 THR HG22 . 36102 1 438 . 1 . 1 42 42 THR HG23 H 1 1.059 0 . 1 . . . . A 42 THR HG23 . 36102 1 439 . 1 . 1 42 42 THR C C 13 171.909 0 . 1 . . . . A 42 THR C . 36102 1 440 . 1 . 1 42 42 THR CA C 13 59.879 0 . 1 . . . . A 42 THR CA . 36102 1 441 . 1 . 1 42 42 THR CB C 13 70.682 0 . 1 . . . . A 42 THR CB . 36102 1 442 . 1 . 1 42 42 THR CG2 C 13 20.223 0 . 1 . . . . A 42 THR CG2 . 36102 1 443 . 1 . 1 42 42 THR N N 15 112.547 0 . 1 . . . . A 42 THR N . 36102 1 444 . 1 . 1 43 43 LEU H H 1 6.335 0 . 1 . . . . A 43 LEU H . 36102 1 445 . 1 . 1 43 43 LEU HA H 1 4.385 0 . 1 . . . . A 43 LEU HA . 36102 1 446 . 1 . 1 43 43 LEU HB2 H 1 0.965 0 . . . . . . A 43 LEU HB2 . 36102 1 447 . 1 . 1 43 43 LEU HB3 H 1 0.494 0 . . . . . . A 43 LEU HB3 . 36102 1 448 . 1 . 1 43 43 LEU HG H 1 0.878 0 . 1 . . . . A 43 LEU HG . 36102 1 449 . 1 . 1 43 43 LEU HD11 H 1 0.277 0 . . . . . . A 43 LEU HD11 . 36102 1 450 . 1 . 1 43 43 LEU HD12 H 1 0.277 0 . . . . . . A 43 LEU HD12 . 36102 1 451 . 1 . 1 43 43 LEU HD13 H 1 0.277 0 . . . . . . A 43 LEU HD13 . 36102 1 452 . 1 . 1 43 43 LEU HD21 H 1 0.519 0 . . . . . . A 43 LEU HD21 . 36102 1 453 . 1 . 1 43 43 LEU HD22 H 1 0.519 0 . . . . . . A 43 LEU HD22 . 36102 1 454 . 1 . 1 43 43 LEU HD23 H 1 0.519 0 . . . . . . A 43 LEU HD23 . 36102 1 455 . 1 . 1 43 43 LEU C C 13 174.058 0 . 1 . . . . A 43 LEU C . 36102 1 456 . 1 . 1 43 43 LEU CA C 13 52.976 0 . 1 . . . . A 43 LEU CA . 36102 1 457 . 1 . 1 43 43 LEU CB C 13 45.815 0 . 1 . . . . A 43 LEU CB . 36102 1 458 . 1 . 1 43 43 LEU CG C 13 26.263 0 . 1 . . . . A 43 LEU CG . 36102 1 459 . 1 . 1 43 43 LEU CD1 C 13 25.641 0 . . . . . . A 43 LEU CD1 . 36102 1 460 . 1 . 1 43 43 LEU CD2 C 13 22.798 0 . . . . . . A 43 LEU CD2 . 36102 1 461 . 1 . 1 43 43 LEU N N 15 119.726 0 . 1 . . . . A 43 LEU N . 36102 1 462 . 1 . 1 44 44 ALA H H 1 8.292 0 . 1 . . . . A 44 ALA H . 36102 1 463 . 1 . 1 44 44 ALA HA H 1 4.583 0 . 1 . . . . A 44 ALA HA . 36102 1 464 . 1 . 1 44 44 ALA HB1 H 1 1.291 0 . 1 . . . . A 44 ALA HB1 . 36102 1 465 . 1 . 1 44 44 ALA HB2 H 1 1.291 0 . 1 . . . . A 44 ALA HB2 . 36102 1 466 . 1 . 1 44 44 ALA HB3 H 1 1.291 0 . 1 . . . . A 44 ALA HB3 . 36102 1 467 . 1 . 1 44 44 ALA C C 13 176.492 0 . 1 . . . . A 44 ALA C . 36102 1 468 . 1 . 1 44 44 ALA CA C 13 50.655 0 . 1 . . . . A 44 ALA CA . 36102 1 469 . 1 . 1 44 44 ALA CB C 13 20.991 0 . 1 . . . . A 44 ALA CB . 36102 1 470 . 1 . 1 44 44 ALA N N 15 122.943 0 . 1 . . . . A 44 ALA N . 36102 1 471 . 1 . 1 45 45 ASP H H 1 8.351 0 . 1 . . . . A 45 ASP H . 36102 1 472 . 1 . 1 45 45 ASP HA H 1 3.92 0 . 1 . . . . A 45 ASP HA . 36102 1 473 . 1 . 1 45 45 ASP HB2 H 1 2.693 0 . . . . . . A 45 ASP HB2 . 36102 1 474 . 1 . 1 45 45 ASP HB3 H 1 2.628 0 . . . . . . A 45 ASP HB3 . 36102 1 475 . 1 . 1 45 45 ASP C C 13 177.599 0 . 1 . . . . A 45 ASP C . 36102 1 476 . 1 . 1 45 45 ASP CA C 13 56.099 0 . 1 . . . . A 45 ASP CA . 36102 1 477 . 1 . 1 45 45 ASP CB C 13 39.758 0 . 1 . . . . A 45 ASP CB . 36102 1 478 . 1 . 1 45 45 ASP N N 15 120.476 0 . 1 . . . . A 45 ASP N . 36102 1 479 . 1 . 1 46 46 GLY H H 1 9.019 0 . 1 . . . . A 46 GLY H . 36102 1 480 . 1 . 1 46 46 GLY HA2 H 1 4.287 0 . . . . . . A 46 GLY HA2 . 36102 1 481 . 1 . 1 46 46 GLY HA3 H 1 3.594 0 . . . . . . A 46 GLY HA3 . 36102 1 482 . 1 . 1 46 46 GLY C C 13 173.948 0 . 1 . . . . A 46 GLY C . 36102 1 483 . 1 . 1 46 46 GLY CA C 13 45.476 0 . 1 . . . . A 46 GLY CA . 36102 1 484 . 1 . 1 46 46 GLY N N 15 112.083 0 . 1 . . . . A 46 GLY N . 36102 1 485 . 1 . 1 47 47 GLN H H 1 7.802 0 . 1 . . . . A 47 GLN H . 36102 1 486 . 1 . 1 47 47 GLN HA H 1 4.261 0 . 1 . . . . A 47 GLN HA . 36102 1 487 . 1 . 1 47 47 GLN HB2 H 1 2.227 0 . . . . . . A 47 GLN HB2 . 36102 1 488 . 1 . 1 47 47 GLN HB3 H 1 1.974 0 . . . . . . A 47 GLN HB3 . 36102 1 489 . 1 . 1 47 47 GLN HG2 H 1 2.404 0 . . . . . . A 47 GLN HG2 . 36102 1 490 . 1 . 1 47 47 GLN HG3 H 1 2.369 0 . . . . . . A 47 GLN HG3 . 36102 1 491 . 1 . 1 47 47 GLN HE21 H 1 6.763 0 . . . . . . A 47 GLN HE21 . 36102 1 492 . 1 . 1 47 47 GLN HE22 H 1 7.902 0 . . . . . . A 47 GLN HE22 . 36102 1 493 . 1 . 1 47 47 GLN C C 13 175.927 0 . 1 . . . . A 47 GLN C . 36102 1 494 . 1 . 1 47 47 GLN CA C 13 56.635 0 . 1 . . . . A 47 GLN CA . 36102 1 495 . 1 . 1 47 47 GLN CB C 13 30.588 0 . 1 . . . . A 47 GLN CB . 36102 1 496 . 1 . 1 47 47 GLN CG C 13 33.855 0 . 1 . . . . A 47 GLN CG . 36102 1 497 . 1 . 1 47 47 GLN N N 15 120.759 0 . 1 . . . . A 47 GLN N . 36102 1 498 . 1 . 1 47 47 GLN NE2 N 15 113.403 0 . 1 . . . . A 47 GLN NE2 . 36102 1 499 . 1 . 1 48 48 THR H H 1 8.701 0 . 1 . . . . A 48 THR H . 36102 1 500 . 1 . 1 48 48 THR HA H 1 4.835 0 . 1 . . . . A 48 THR HA . 36102 1 501 . 1 . 1 48 48 THR HB H 1 4.18 0 . 1 . . . . A 48 THR HB . 36102 1 502 . 1 . 1 48 48 THR HG21 H 1 1.281 0 . 1 . . . . A 48 THR HG21 . 36102 1 503 . 1 . 1 48 48 THR HG22 H 1 1.281 0 . 1 . . . . A 48 THR HG22 . 36102 1 504 . 1 . 1 48 48 THR HG23 H 1 1.281 0 . 1 . . . . A 48 THR HG23 . 36102 1 505 . 1 . 1 48 48 THR C C 13 174.838 0 . 1 . . . . A 48 THR C . 36102 1 506 . 1 . 1 48 48 THR CA C 13 63.22 0 . 1 . . . . A 48 THR CA . 36102 1 507 . 1 . 1 48 48 THR CB C 13 69.047 0 . 1 . . . . A 48 THR CB . 36102 1 508 . 1 . 1 48 48 THR CG2 C 13 22.131 0 . 1 . . . . A 48 THR CG2 . 36102 1 509 . 1 . 1 48 48 THR N N 15 121.246 0 . 1 . . . . A 48 THR N . 36102 1 510 . 1 . 1 49 49 VAL H H 1 8.812 0 . 1 . . . . A 49 VAL H . 36102 1 511 . 1 . 1 49 49 VAL HA H 1 5.424 0 . 1 . . . . A 49 VAL HA . 36102 1 512 . 1 . 1 49 49 VAL HB H 1 2.054 0 . 1 . . . . A 49 VAL HB . 36102 1 513 . 1 . 1 49 49 VAL HG11 H 1 0.577 0 . . . . . . A 49 VAL HG11 . 36102 1 514 . 1 . 1 49 49 VAL HG12 H 1 0.577 0 . . . . . . A 49 VAL HG12 . 36102 1 515 . 1 . 1 49 49 VAL HG13 H 1 0.577 0 . . . . . . A 49 VAL HG13 . 36102 1 516 . 1 . 1 49 49 VAL HG21 H 1 0.53 0 . . . . . . A 49 VAL HG21 . 36102 1 517 . 1 . 1 49 49 VAL HG22 H 1 0.53 0 . . . . . . A 49 VAL HG22 . 36102 1 518 . 1 . 1 49 49 VAL HG23 H 1 0.53 0 . . . . . . A 49 VAL HG23 . 36102 1 519 . 1 . 1 49 49 VAL C C 13 174.466 0 . 1 . . . . A 49 VAL C . 36102 1 520 . 1 . 1 49 49 VAL CA C 13 58.507 0 . 1 . . . . A 49 VAL CA . 36102 1 521 . 1 . 1 49 49 VAL CB C 13 36.501 0 . 1 . . . . A 49 VAL CB . 36102 1 522 . 1 . 1 49 49 VAL CG1 C 13 22.908 0 . . . . . . A 49 VAL CG1 . 36102 1 523 . 1 . 1 49 49 VAL CG2 C 13 18.438 0 . . . . . . A 49 VAL CG2 . 36102 1 524 . 1 . 1 49 49 VAL N N 15 117.717 0 . 1 . . . . A 49 VAL N . 36102 1 525 . 1 . 1 50 50 GLU H H 1 8.974 0 . 1 . . . . A 50 GLU H . 36102 1 526 . 1 . 1 50 50 GLU HA H 1 5.332 0 . 1 . . . . A 50 GLU HA . 36102 1 527 . 1 . 1 50 50 GLU HB2 H 1 1.979 0 . . . . . . A 50 GLU HB2 . 36102 1 528 . 1 . 1 50 50 GLU HB3 H 1 1.801 0 . . . . . . A 50 GLU HB3 . 36102 1 529 . 1 . 1 50 50 GLU HG2 H 1 2.22 0 . . . . . . A 50 GLU HG2 . 36102 1 530 . 1 . 1 50 50 GLU HG3 H 1 2.22 0 . . . . . . A 50 GLU HG3 . 36102 1 531 . 1 . 1 50 50 GLU C C 13 174.967 0 . 1 . . . . A 50 GLU C . 36102 1 532 . 1 . 1 50 50 GLU CA C 13 54.551 0 . 1 . . . . A 50 GLU CA . 36102 1 533 . 1 . 1 50 50 GLU CB C 13 32.921 0 . 1 . . . . A 50 GLU CB . 36102 1 534 . 1 . 1 50 50 GLU CG C 13 36.821 0 . 1 . . . . A 50 GLU CG . 36102 1 535 . 1 . 1 50 50 GLU N N 15 120.883 0 . 1 . . . . A 50 GLU N . 36102 1 536 . 1 . 1 51 51 TYR H H 1 8.117 0 . 1 . . . . A 51 TYR H . 36102 1 537 . 1 . 1 51 51 TYR HA H 1 5.077 0 . 1 . . . . A 51 TYR HA . 36102 1 538 . 1 . 1 51 51 TYR HB2 H 1 2.948 0 . . . . . . A 51 TYR HB2 . 36102 1 539 . 1 . 1 51 51 TYR HB3 H 1 2.779 0 . . . . . . A 51 TYR HB3 . 36102 1 540 . 1 . 1 51 51 TYR HD1 H 1 6.407 0 . . . . . . A 51 TYR HD1 . 36102 1 541 . 1 . 1 51 51 TYR HD2 H 1 6.407 0 . . . . . . A 51 TYR HD2 . 36102 1 542 . 1 . 1 51 51 TYR C C 13 172.818 0 . 1 . . . . A 51 TYR C . 36102 1 543 . 1 . 1 51 51 TYR CA C 13 56.671 0 . 1 . . . . A 51 TYR CA . 36102 1 544 . 1 . 1 51 51 TYR CB C 13 41.302 0 . 1 . . . . A 51 TYR CB . 36102 1 545 . 1 . 1 51 51 TYR N N 15 115.966 0 . 1 . . . . A 51 TYR N . 36102 1 546 . 1 . 1 52 52 GLU H H 1 9.012 0 . 1 . . . . A 52 GLU H . 36102 1 547 . 1 . 1 52 52 GLU HA H 1 4.778 0 . 1 . . . . A 52 GLU HA . 36102 1 548 . 1 . 1 52 52 GLU HB2 H 1 1.963 0 . . . . . . A 52 GLU HB2 . 36102 1 549 . 1 . 1 52 52 GLU HB3 H 1 1.735 0 . . . . . . A 52 GLU HB3 . 36102 1 550 . 1 . 1 52 52 GLU HG2 H 1 2.218 0 . . . . . . A 52 GLU HG2 . 36102 1 551 . 1 . 1 52 52 GLU HG3 H 1 2.2 0 . . . . . . A 52 GLU HG3 . 36102 1 552 . 1 . 1 52 52 GLU C C 13 175.817 0 . 1 . . . . A 52 GLU C . 36102 1 553 . 1 . 1 52 52 GLU CA C 13 53.821 0 . 1 . . . . A 52 GLU CA . 36102 1 554 . 1 . 1 52 52 GLU CB C 13 32.872 0 . 1 . . . . A 52 GLU CB . 36102 1 555 . 1 . 1 52 52 GLU CG C 13 36.164 0 . 1 . . . . A 52 GLU CG . 36102 1 556 . 1 . 1 52 52 GLU N N 15 118.527 0 . 1 . . . . A 52 GLU N . 36102 1 557 . 1 . 1 53 53 VAL H H 1 8.898 0 . 1 . . . . A 53 VAL H . 36102 1 558 . 1 . 1 53 53 VAL HA H 1 4.415 0 . 1 . . . . A 53 VAL HA . 36102 1 559 . 1 . 1 53 53 VAL HB H 1 2.09 0 . 1 . . . . A 53 VAL HB . 36102 1 560 . 1 . 1 53 53 VAL HG11 H 1 1.226 0 . . . . . . A 53 VAL HG11 . 36102 1 561 . 1 . 1 53 53 VAL HG12 H 1 1.226 0 . . . . . . A 53 VAL HG12 . 36102 1 562 . 1 . 1 53 53 VAL HG13 H 1 1.226 0 . . . . . . A 53 VAL HG13 . 36102 1 563 . 1 . 1 53 53 VAL HG21 H 1 1.074 0 . . . . . . A 53 VAL HG21 . 36102 1 564 . 1 . 1 53 53 VAL HG22 H 1 1.074 0 . . . . . . A 53 VAL HG22 . 36102 1 565 . 1 . 1 53 53 VAL HG23 H 1 1.074 0 . . . . . . A 53 VAL HG23 . 36102 1 566 . 1 . 1 53 53 VAL C C 13 176.506 0 . 1 . . . . A 53 VAL C . 36102 1 567 . 1 . 1 53 53 VAL CA C 13 64.012 0 . 1 . . . . A 53 VAL CA . 36102 1 568 . 1 . 1 53 53 VAL CB C 13 32.198 0 . 1 . . . . A 53 VAL CB . 36102 1 569 . 1 . 1 53 53 VAL CG1 C 13 22.942 0 . . . . . . A 53 VAL CG1 . 36102 1 570 . 1 . 1 53 53 VAL CG2 C 13 21.534 0 . . . . . . A 53 VAL CG2 . 36102 1 571 . 1 . 1 53 53 VAL N N 15 125.381 0 . 1 . . . . A 53 VAL N . 36102 1 572 . 1 . 1 54 54 GLY H H 1 9.086 0 . 1 . . . . A 54 GLY H . 36102 1 573 . 1 . 1 54 54 GLY HA2 H 1 4.573 0 . . . . . . A 54 GLY HA2 . 36102 1 574 . 1 . 1 54 54 GLY HA3 H 1 3.644 0 . . . . . . A 54 GLY HA3 . 36102 1 575 . 1 . 1 54 54 GLY C C 13 173.102 0 . 1 . . . . A 54 GLY C . 36102 1 576 . 1 . 1 54 54 GLY CA C 13 44.188 0 . 1 . . . . A 54 GLY CA . 36102 1 577 . 1 . 1 54 54 GLY N N 15 116.85 0 . 1 . . . . A 54 GLY N . 36102 1 578 . 1 . 1 55 55 GLN H H 1 8.495 0 . 1 . . . . A 55 GLN H . 36102 1 579 . 1 . 1 55 55 GLN HA H 1 4.586 0 . 1 . . . . A 55 GLN HA . 36102 1 580 . 1 . 1 55 55 GLN HB2 H 1 2.035 0 . . . . . . A 55 GLN HB2 . 36102 1 581 . 1 . 1 55 55 GLN HB3 H 1 1.909 0 . . . . . . A 55 GLN HB3 . 36102 1 582 . 1 . 1 55 55 GLN HG2 H 1 2.321 0 . . . . . . A 55 GLN HG2 . 36102 1 583 . 1 . 1 55 55 GLN HG3 H 1 2.321 0 . . . . . . A 55 GLN HG3 . 36102 1 584 . 1 . 1 55 55 GLN HE21 H 1 6.75 0 . . . . . . A 55 GLN HE21 . 36102 1 585 . 1 . 1 55 55 GLN HE22 H 1 7.486 0 . . . . . . A 55 GLN HE22 . 36102 1 586 . 1 . 1 55 55 GLN C C 13 175.607 0 . 1 . . . . A 55 GLN C . 36102 1 587 . 1 . 1 55 55 GLN CA C 13 55.284 0 . 1 . . . . A 55 GLN CA . 36102 1 588 . 1 . 1 55 55 GLN CB C 13 30.235 0 . 1 . . . . A 55 GLN CB . 36102 1 589 . 1 . 1 55 55 GLN CG C 13 32.977 0 . 1 . . . . A 55 GLN CG . 36102 1 590 . 1 . 1 55 55 GLN N N 15 119.84 0 . 1 . . . . A 55 GLN N . 36102 1 591 . 1 . 1 55 55 GLN NE2 N 15 111.53 0 . 1 . . . . A 55 GLN NE2 . 36102 1 592 . 1 . 1 56 56 GLY H H 1 8.03 0 . 1 . . . . A 56 GLY H . 36102 1 593 . 1 . 1 56 56 GLY HA2 H 1 4.471 0 . . . . . . A 56 GLY HA2 . 36102 1 594 . 1 . 1 56 56 GLY HA3 H 1 3.911 0 . . . . . . A 56 GLY HA3 . 36102 1 595 . 1 . 1 56 56 GLY C C 13 174.785 0 . 1 . . . . A 56 GLY C . 36102 1 596 . 1 . 1 56 56 GLY CA C 13 44.529 0 . 1 . . . . A 56 GLY CA . 36102 1 597 . 1 . 1 56 56 GLY N N 15 113.242 0 . 1 . . . . A 56 GLY N . 36102 1 598 . 1 . 1 57 57 GLN H H 1 8.73 0 . 1 . . . . A 57 GLN H . 36102 1 599 . 1 . 1 57 57 GLN HA H 1 4.022 0 . 1 . . . . A 57 GLN HA . 36102 1 600 . 1 . 1 57 57 GLN HB2 H 1 1.997 0 . . . . . . A 57 GLN HB2 . 36102 1 601 . 1 . 1 57 57 GLN HB3 H 1 1.965 0 . . . . . . A 57 GLN HB3 . 36102 1 602 . 1 . 1 57 57 GLN HG2 H 1 2.387 0 . . . . . . A 57 GLN HG2 . 36102 1 603 . 1 . 1 57 57 GLN HG3 H 1 2.325 0 . . . . . . A 57 GLN HG3 . 36102 1 604 . 1 . 1 57 57 GLN HE21 H 1 6.835 0 . . . . . . A 57 GLN HE21 . 36102 1 605 . 1 . 1 57 57 GLN HE22 H 1 7.524 0 . . . . . . A 57 GLN HE22 . 36102 1 606 . 1 . 1 57 57 GLN C C 13 177.43 0 . 1 . . . . A 57 GLN C . 36102 1 607 . 1 . 1 57 57 GLN CA C 13 58.682 0 . 1 . . . . A 57 GLN CA . 36102 1 608 . 1 . 1 57 57 GLN CB C 13 28.942 0 . 1 . . . . A 57 GLN CB . 36102 1 609 . 1 . 1 57 57 GLN CG C 13 33.896 0 . 1 . . . . A 57 GLN CG . 36102 1 610 . 1 . 1 57 57 GLN N N 15 120.568 0 . 1 . . . . A 57 GLN N . 36102 1 611 . 1 . 1 57 57 GLN NE2 N 15 112.417 0 . 1 . . . . A 57 GLN NE2 . 36102 1 612 . 1 . 1 58 58 LYS H H 1 8.402 0 . 1 . . . . A 58 LYS H . 36102 1 613 . 1 . 1 58 58 LYS HA H 1 4.373 0 . 1 . . . . A 58 LYS HA . 36102 1 614 . 1 . 1 58 58 LYS HB2 H 1 1.723 0 . . . . . . A 58 LYS HB2 . 36102 1 615 . 1 . 1 58 58 LYS HB3 H 1 1.325 0 . . . . . . A 58 LYS HB3 . 36102 1 616 . 1 . 1 58 58 LYS HG2 H 1 1.082 0 . . . . . . A 58 LYS HG2 . 36102 1 617 . 1 . 1 58 58 LYS HG3 H 1 1.082 0 . . . . . . A 58 LYS HG3 . 36102 1 618 . 1 . 1 58 58 LYS HD2 H 1 1.418 0 . . . . . . A 58 LYS HD2 . 36102 1 619 . 1 . 1 58 58 LYS HD3 H 1 1.339 0 . . . . . . A 58 LYS HD3 . 36102 1 620 . 1 . 1 58 58 LYS HE2 H 1 2.766 0 . . . . . . A 58 LYS HE2 . 36102 1 621 . 1 . 1 58 58 LYS HE3 H 1 2.766 0 . . . . . . A 58 LYS HE3 . 36102 1 622 . 1 . 1 58 58 LYS C C 13 175.801 0 . 1 . . . . A 58 LYS C . 36102 1 623 . 1 . 1 58 58 LYS CA C 13 55.101 0 . 1 . . . . A 58 LYS CA . 36102 1 624 . 1 . 1 58 58 LYS CB C 13 32.034 0 . 1 . . . . A 58 LYS CB . 36102 1 625 . 1 . 1 58 58 LYS CG C 13 24.796 0 . 1 . . . . A 58 LYS CG . 36102 1 626 . 1 . 1 58 58 LYS CD C 13 28.574 0 . 1 . . . . A 58 LYS CD . 36102 1 627 . 1 . 1 58 58 LYS CE C 13 42.002 0 . 1 . . . . A 58 LYS CE . 36102 1 628 . 1 . 1 58 58 LYS N N 15 116.241 0 . 1 . . . . A 58 LYS N . 36102 1 629 . 1 . 1 59 59 GLY H H 1 7.411 0 . 1 . . . . A 59 GLY H . 36102 1 630 . 1 . 1 59 59 GLY HA2 H 1 4.462 0 . . . . . . A 59 GLY HA2 . 36102 1 631 . 1 . 1 59 59 GLY HA3 H 1 3.863 0 . . . . . . A 59 GLY HA3 . 36102 1 632 . 1 . 1 59 59 GLY CA C 13 44.209 0 . 1 . . . . A 59 GLY CA . 36102 1 633 . 1 . 1 59 59 GLY N N 15 108.245 0 . 1 . . . . A 59 GLY N . 36102 1 634 . 1 . 1 60 60 PRO HA H 1 4.874 0 . 1 . . . . A 60 PRO HA . 36102 1 635 . 1 . 1 60 60 PRO HB2 H 1 2.322 0 . . . . . . A 60 PRO HB2 . 36102 1 636 . 1 . 1 60 60 PRO HB3 H 1 1.937 0 . . . . . . A 60 PRO HB3 . 36102 1 637 . 1 . 1 60 60 PRO HG2 H 1 2.119 0 . . . . . . A 60 PRO HG2 . 36102 1 638 . 1 . 1 60 60 PRO HG3 H 1 2.069 0 . . . . . . A 60 PRO HG3 . 36102 1 639 . 1 . 1 60 60 PRO HD2 H 1 3.707 0 . . . . . . A 60 PRO HD2 . 36102 1 640 . 1 . 1 60 60 PRO HD3 H 1 3.707 0 . . . . . . A 60 PRO HD3 . 36102 1 641 . 1 . 1 60 60 PRO C C 13 176.165 0 . 1 . . . . A 60 PRO C . 36102 1 642 . 1 . 1 60 60 PRO CA C 13 63.289 0 . 1 . . . . A 60 PRO CA . 36102 1 643 . 1 . 1 60 60 PRO CB C 13 32.402 0 . 1 . . . . A 60 PRO CB . 36102 1 644 . 1 . 1 60 60 PRO CG C 13 27.687 0 . 1 . . . . A 60 PRO CG . 36102 1 645 . 1 . 1 60 60 PRO CD C 13 49.877 0 . 1 . . . . A 60 PRO CD . 36102 1 646 . 1 . 1 61 61 CYS H H 1 8.689 0 . 1 . . . . A 61 CYS H . 36102 1 647 . 1 . 1 61 61 CYS HA H 1 5.363 0 . 1 . . . . A 61 CYS HA . 36102 1 648 . 1 . 1 61 61 CYS HB2 H 1 3.261 0 . . . . . . A 61 CYS HB2 . 36102 1 649 . 1 . 1 61 61 CYS HB3 H 1 2.798 0 . . . . . . A 61 CYS HB3 . 36102 1 650 . 1 . 1 61 61 CYS C C 13 170.886 0 . 1 . . . . A 61 CYS C . 36102 1 651 . 1 . 1 61 61 CYS CA C 13 55.769 0 . 1 . . . . A 61 CYS CA . 36102 1 652 . 1 . 1 61 61 CYS CB C 13 31.799 0 . 1 . . . . A 61 CYS CB . 36102 1 653 . 1 . 1 61 61 CYS N N 15 118.78 0 . 1 . . . . A 61 CYS N . 36102 1 654 . 1 . 1 62 62 ALA H H 1 8.643 0 . 1 . . . . A 62 ALA H . 36102 1 655 . 1 . 1 62 62 ALA HA H 1 4.578 0 . 1 . . . . A 62 ALA HA . 36102 1 656 . 1 . 1 62 62 ALA HB1 H 1 0.634 0 . 1 . . . . A 62 ALA HB1 . 36102 1 657 . 1 . 1 62 62 ALA HB2 H 1 0.634 0 . 1 . . . . A 62 ALA HB2 . 36102 1 658 . 1 . 1 62 62 ALA HB3 H 1 0.634 0 . 1 . . . . A 62 ALA HB3 . 36102 1 659 . 1 . 1 62 62 ALA C C 13 174.661 0 . 1 . . . . A 62 ALA C . 36102 1 660 . 1 . 1 62 62 ALA CA C 13 50.855 0 . 1 . . . . A 62 ALA CA . 36102 1 661 . 1 . 1 62 62 ALA CB C 13 20.563 0 . 1 . . . . A 62 ALA CB . 36102 1 662 . 1 . 1 62 62 ALA N N 15 123.016 0 . 1 . . . . A 62 ALA N . 36102 1 663 . 1 . 1 63 63 ASN H H 1 9.232 0 . 1 . . . . A 63 ASN H . 36102 1 664 . 1 . 1 63 63 ASN HA H 1 5.161 0 . 1 . . . . A 63 ASN HA . 36102 1 665 . 1 . 1 63 63 ASN HB2 H 1 2.717 0 . . . . . . A 63 ASN HB2 . 36102 1 666 . 1 . 1 63 63 ASN HB3 H 1 2.601 0 . . . . . . A 63 ASN HB3 . 36102 1 667 . 1 . 1 63 63 ASN HD21 H 1 7.187 0 . . . . . . A 63 ASN HD21 . 36102 1 668 . 1 . 1 63 63 ASN HD22 H 1 6.676 0 . . . . . . A 63 ASN HD22 . 36102 1 669 . 1 . 1 63 63 ASN C C 13 174.264 0 . 1 . . . . A 63 ASN C . 36102 1 670 . 1 . 1 63 63 ASN CA C 13 50.604 0 . 1 . . . . A 63 ASN CA . 36102 1 671 . 1 . 1 63 63 ASN CB C 13 41.704 0 . 1 . . . . A 63 ASN CB . 36102 1 672 . 1 . 1 63 63 ASN N N 15 121.017 0 . 1 . . . . A 63 ASN N . 36102 1 673 . 1 . 1 63 63 ASN ND2 N 15 108.36 0 . 1 . . . . A 63 ASN ND2 . 36102 1 674 . 1 . 1 64 64 LYS H H 1 9.633 0 . 1 . . . . A 64 LYS H . 36102 1 675 . 1 . 1 64 64 LYS HA H 1 3.758 0 . 1 . . . . A 64 LYS HA . 36102 1 676 . 1 . 1 64 64 LYS HB2 H 1 1.826 0 . . . . . . A 64 LYS HB2 . 36102 1 677 . 1 . 1 64 64 LYS HB3 H 1 1.778 0 . . . . . . A 64 LYS HB3 . 36102 1 678 . 1 . 1 64 64 LYS HG2 H 1 1.339 0 . . . . . . A 64 LYS HG2 . 36102 1 679 . 1 . 1 64 64 LYS HG3 H 1 1.339 0 . . . . . . A 64 LYS HG3 . 36102 1 680 . 1 . 1 64 64 LYS HD2 H 1 1.657 0 . . . . . . A 64 LYS HD2 . 36102 1 681 . 1 . 1 64 64 LYS HD3 H 1 1.657 0 . . . . . . A 64 LYS HD3 . 36102 1 682 . 1 . 1 64 64 LYS HE2 H 1 2.975 0 . . . . . . A 64 LYS HE2 . 36102 1 683 . 1 . 1 64 64 LYS HE3 H 1 2.975 0 . . . . . . A 64 LYS HE3 . 36102 1 684 . 1 . 1 64 64 LYS C C 13 174.313 0 . 1 . . . . A 64 LYS C . 36102 1 685 . 1 . 1 64 64 LYS CA C 13 56.976 0 . 1 . . . . A 64 LYS CA . 36102 1 686 . 1 . 1 64 64 LYS CB C 13 30.195 0 . 1 . . . . A 64 LYS CB . 36102 1 687 . 1 . 1 64 64 LYS CG C 13 25.481 0 . 1 . . . . A 64 LYS CG . 36102 1 688 . 1 . 1 64 64 LYS CD C 13 29.182 0 . 1 . . . . A 64 LYS CD . 36102 1 689 . 1 . 1 64 64 LYS CE C 13 42.171 0 . 1 . . . . A 64 LYS CE . 36102 1 690 . 1 . 1 64 64 LYS N N 15 119.522 0 . 1 . . . . A 64 LYS N . 36102 1 691 . 1 . 1 65 65 VAL H H 1 8.168 0 . 1 . . . . A 65 VAL H . 36102 1 692 . 1 . 1 65 65 VAL HA H 1 4.483 0 . 1 . . . . A 65 VAL HA . 36102 1 693 . 1 . 1 65 65 VAL HB H 1 1.703 0 . 1 . . . . A 65 VAL HB . 36102 1 694 . 1 . 1 65 65 VAL HG11 H 1 0.649 0 . . . . . . A 65 VAL HG11 . 36102 1 695 . 1 . 1 65 65 VAL HG12 H 1 0.649 0 . . . . . . A 65 VAL HG12 . 36102 1 696 . 1 . 1 65 65 VAL HG13 H 1 0.649 0 . . . . . . A 65 VAL HG13 . 36102 1 697 . 1 . 1 65 65 VAL C C 13 175.758 0 . 1 . . . . A 65 VAL C . 36102 1 698 . 1 . 1 65 65 VAL CA C 13 63.038 0 . 1 . . . . A 65 VAL CA . 36102 1 699 . 1 . 1 65 65 VAL CB C 13 32.106 0 . 1 . . . . A 65 VAL CB . 36102 1 700 . 1 . 1 65 65 VAL CG1 C 13 22.189 0 . . . . . . A 65 VAL CG1 . 36102 1 701 . 1 . 1 65 65 VAL N N 15 118.856 0 . 1 . . . . A 65 VAL N . 36102 1 702 . 1 . 1 66 66 VAL H H 1 9.184 0 . 1 . . . . A 66 VAL H . 36102 1 703 . 1 . 1 66 66 VAL HA H 1 4.416 0 . 1 . . . . A 66 VAL HA . 36102 1 704 . 1 . 1 66 66 VAL HB H 1 1.917 0 . 1 . . . . A 66 VAL HB . 36102 1 705 . 1 . 1 66 66 VAL HG11 H 1 0.88 0 . . . . . . A 66 VAL HG11 . 36102 1 706 . 1 . 1 66 66 VAL HG12 H 1 0.88 0 . . . . . . A 66 VAL HG12 . 36102 1 707 . 1 . 1 66 66 VAL HG13 H 1 0.88 0 . . . . . . A 66 VAL HG13 . 36102 1 708 . 1 . 1 66 66 VAL C C 13 174.768 0 . 1 . . . . A 66 VAL C . 36102 1 709 . 1 . 1 66 66 VAL CA C 13 60.274 0 . 1 . . . . A 66 VAL CA . 36102 1 710 . 1 . 1 66 66 VAL CB C 13 35.66 0 . 1 . . . . A 66 VAL CB . 36102 1 711 . 1 . 1 66 66 VAL CG1 C 13 20.995 0 . . . . . . A 66 VAL CG1 . 36102 1 712 . 1 . 1 66 66 VAL N N 15 127.434 0 . 1 . . . . A 66 VAL N . 36102 1 713 . 1 . 1 67 67 ALA H H 1 8.393 0 . 1 . . . . A 67 ALA H . 36102 1 714 . 1 . 1 67 67 ALA HA H 1 4.602 0 . 1 . . . . A 67 ALA HA . 36102 1 715 . 1 . 1 67 67 ALA HB1 H 1 1.253 0 . 1 . . . . A 67 ALA HB1 . 36102 1 716 . 1 . 1 67 67 ALA HB2 H 1 1.253 0 . 1 . . . . A 67 ALA HB2 . 36102 1 717 . 1 . 1 67 67 ALA HB3 H 1 1.253 0 . 1 . . . . A 67 ALA HB3 . 36102 1 718 . 1 . 1 67 67 ALA C C 13 176.601 0 . 1 . . . . A 67 ALA C . 36102 1 719 . 1 . 1 67 67 ALA CA C 13 52.56 0 . 1 . . . . A 67 ALA CA . 36102 1 720 . 1 . 1 67 67 ALA CB C 13 18.624 0 . 1 . . . . A 67 ALA CB . 36102 1 721 . 1 . 1 67 67 ALA N N 15 128.313 0 . 1 . . . . A 67 ALA N . 36102 1 722 . 1 . 1 68 68 VAL H H 1 7.839 0 . 1 . . . . A 68 VAL H . 36102 1 723 . 1 . 1 68 68 VAL HA H 1 4.148 0 . 1 . . . . A 68 VAL HA . 36102 1 724 . 1 . 1 68 68 VAL HB H 1 2.08 0 . 1 . . . . A 68 VAL HB . 36102 1 725 . 1 . 1 68 68 VAL HG11 H 1 0.869 0 . . . . . . A 68 VAL HG11 . 36102 1 726 . 1 . 1 68 68 VAL HG12 H 1 0.869 0 . . . . . . A 68 VAL HG12 . 36102 1 727 . 1 . 1 68 68 VAL HG13 H 1 0.869 0 . . . . . . A 68 VAL HG13 . 36102 1 728 . 1 . 1 68 68 VAL HG21 H 1 0.761 0 . . . . . . A 68 VAL HG21 . 36102 1 729 . 1 . 1 68 68 VAL HG22 H 1 0.761 0 . . . . . . A 68 VAL HG22 . 36102 1 730 . 1 . 1 68 68 VAL HG23 H 1 0.761 0 . . . . . . A 68 VAL HG23 . 36102 1 731 . 1 . 1 68 68 VAL CA C 13 63.046 0 . 1 . . . . A 68 VAL CA . 36102 1 732 . 1 . 1 68 68 VAL CB C 13 33.393 0 . 1 . . . . A 68 VAL CB . 36102 1 733 . 1 . 1 68 68 VAL CG1 C 13 21.673 0 . . . . . . A 68 VAL CG1 . 36102 1 734 . 1 . 1 68 68 VAL CG2 C 13 20.023 0 . . . . . . A 68 VAL CG2 . 36102 1 735 . 1 . 1 68 68 VAL N N 15 125.101 0 . 1 . . . . A 68 VAL N . 36102 1 stop_ save_