data_17937 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17937 _Entry.Title ; Solid-state Chemical Shift Assignments for CAP-Gly Domain of Mammalian Dynactin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-14 _Entry.Accession_date 2011-09-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Si Yan . . . 17937 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17937 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 17937 '15N chemical shifts' 85 17937 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-11-04 2011-09-14 update author 'update entry title' 17937 1 . . 2011-10-28 2011-09-14 original author 'original release' 17937 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17937 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/ja902003u _Citation.PubMed_ID 19580321 _Citation.Full_citation . _Citation.Title 'Solid-State and Solution NMR Studies of the CAP-Gly Domain of Mammalian Dynactin and Its Interaction with Microtubules' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10113 _Citation.Page_last 10126 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shangjin Sun . . . 17937 1 2 Amanda Siglin . . . 17937 1 3 John Williams . C. . 17937 1 4 Tatyana Polenova . . . 17937 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17937 _Assembly.ID 1 _Assembly.Name CAP-Gly _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CAP-Gly 1 $CAP-Gly A . yes native no no . . . 17937 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HQH . . X-ray . . . 17937 1 yes PDB 3E2U . . X-ray . . . 17937 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAP-Gly _Entity.Sf_category entity _Entity.Sf_framecode CAP-Gly _Entity.Entry_ID 17937 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CAP-Gly _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TEASARPLRVGSRVEVIGKG HRGTVAYVGATLFATGKWVG VILDEAKGKNDGTVQGRKYF TCDEGHGIFVRQSQIQVFED GADTTSPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17938 . CAP-Gly . . . . . 100.00 88 100.00 100.00 1.10e-55 . . . . 17937 1 2 no BMRB 19025 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17937 1 3 no BMRB 19031 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17937 1 4 no BMRB 25005 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17937 1 5 no PDB 1TXQ . "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" . . . . . 98.86 93 100.00 100.00 3.19e-55 . . . . 17937 1 6 no PDB 2HKN . "Crystal Structure Of The Cap-Gly Domain Of Human Dynactin-1 (P150- Glued)" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17937 1 7 no PDB 2HKQ . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The Cap-Gly Domain Of Human Dynactin-1 (P150-Glued)" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17937 1 8 no PDB 2HL3 . "Crystal Structure Of The A49m Mutant Cap-gly Domain Of Human Dynactin- 1 (p150-glued) In Complex With Human Eb1 C-terminal Hexa" . . . . . 98.86 97 98.85 98.85 1.84e-54 . . . . 17937 1 9 no PDB 2HL5 . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The A49m Mutant Cap-Gly Domain Of Human Dynactin-1 (P15" . . . . . 98.86 97 98.85 98.85 1.84e-54 . . . . 17937 1 10 no PDB 2HQH . "Crystal Structure Of P150glued And Clip-170" . . . . . 98.86 93 100.00 100.00 3.19e-55 . . . . 17937 1 11 no PDB 2M02 . "3d Structure Of Cap-gly Domain Of Mammalian Dynactin Determined By Magic Angle Spinning Nmr Spectroscopy" . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17937 1 12 no PDB 2MPX . "Three-dimensional Structure Of Cap-gly Domain Assembled On Microtubules Determined By Mas Nmr Spectroscopy" . . . . . 79.55 70 100.00 100.00 7.68e-42 . . . . 17937 1 13 no PDB 3E2U . "Crystal Structure Of The Zink-Knuckle 2 Domain Of Human Clip-170 In Complex With Cap-Gly Domain Of Human Dynactin-1 (P150-Glued" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17937 1 14 no PDB 3TQ7 . "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" . . . . . 80.68 71 98.59 98.59 1.65e-41 . . . . 17937 1 15 no DBJ BAE34241 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1243 100.00 100.00 1.82e-51 . . . . 17937 1 16 no DBJ BAE37079 . "unnamed protein product [Mus musculus]" . . . . . 100.00 395 100.00 100.00 1.35e-50 . . . . 17937 1 17 no DBJ BAE42418 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 3.25e-51 . . . . 17937 1 18 no DBJ BAE42912 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 2.52e-51 . . . . 17937 1 19 no DBJ BAE87998 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.86 409 100.00 100.00 2.29e-55 . . . . 17937 1 20 no EMBL CAA44091 . "150K dynein-associated polypeptide [Rattus norvegicus]" . . . . . 100.00 1280 100.00 100.00 3.13e-51 . . . . 17937 1 21 no EMBL CAA67333 . "dynactin [Homo sapiens]" . . . . . 98.86 1263 100.00 100.00 1.58e-50 . . . . 17937 1 22 no EMBL CAE45882 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 1278 100.00 100.00 1.97e-50 . . . . 17937 1 23 no EMBL CAH10572 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 890 100.00 100.00 5.76e-51 . . . . 17937 1 24 no EMBL CAH10575 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 890 100.00 100.00 7.42e-51 . . . . 17937 1 25 no GB AAB57773 . "dynactin1 [Mus musculus]" . . . . . 100.00 1281 100.00 100.00 4.54e-51 . . . . 17937 1 26 no GB AAD03694 . "dynactin 1 [Homo sapiens]" . . . . . 98.86 1261 100.00 100.00 1.58e-50 . . . . 17937 1 27 no GB AAD55811 . "dynactin 1 p150 isoform [Homo sapiens]" . . . . . 98.86 1278 100.00 100.00 1.62e-50 . . . . 17937 1 28 no GB AAH66061 . "Dctn1 protein [Mus musculus]" . . . . . 100.00 1264 98.86 98.86 1.03e-49 . . . . 17937 1 29 no GB AAI42510 . "DCTN1 protein [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17937 1 30 no REF NP_001092404 . "dynactin subunit 1 [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17937 1 31 no REF NP_001127253 . "dynactin subunit 1 [Pongo abelii]" . . . . . 67.05 233 100.00 100.00 5.90e-35 . . . . 17937 1 32 no REF NP_001128512 . "dynactin subunit 1 isoform 3 [Homo sapiens]" . . . . . 98.86 1253 100.00 100.00 1.16e-50 . . . . 17937 1 33 no REF NP_001177765 . "dynactin subunit 1 isoform 5 [Homo sapiens]" . . . . . 98.86 1236 100.00 100.00 8.18e-51 . . . . 17937 1 34 no REF NP_001177766 . "dynactin subunit 1 isoform 6 [Homo sapiens]" . . . . . 98.86 1271 100.00 100.00 1.60e-50 . . . . 17937 1 35 no SP O08788 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 100.00 1281 100.00 100.00 4.08e-51 . . . . 17937 1 36 no SP P28023 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 100.00 1280 100.00 100.00 3.13e-51 . . . . 17937 1 37 no SP Q14203 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 98.86 1278 100.00 100.00 1.62e-50 . . . . 17937 1 38 no TPG DAA24857 . "TPA: dynactin 1 [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17937 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'A microtubule binding domain of dynactin' 17937 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 20 THR . 17937 1 2 21 GLU . 17937 1 3 22 ALA . 17937 1 4 23 SER . 17937 1 5 24 ALA . 17937 1 6 25 ARG . 17937 1 7 26 PRO . 17937 1 8 27 LEU . 17937 1 9 28 ARG . 17937 1 10 29 VAL . 17937 1 11 30 GLY . 17937 1 12 31 SER . 17937 1 13 32 ARG . 17937 1 14 33 VAL . 17937 1 15 34 GLU . 17937 1 16 35 VAL . 17937 1 17 36 ILE . 17937 1 18 37 GLY . 17937 1 19 38 LYS . 17937 1 20 39 GLY . 17937 1 21 40 HIS . 17937 1 22 41 ARG . 17937 1 23 42 GLY . 17937 1 24 43 THR . 17937 1 25 44 VAL . 17937 1 26 45 ALA . 17937 1 27 46 TYR . 17937 1 28 47 VAL . 17937 1 29 48 GLY . 17937 1 30 49 ALA . 17937 1 31 50 THR . 17937 1 32 51 LEU . 17937 1 33 52 PHE . 17937 1 34 53 ALA . 17937 1 35 54 THR . 17937 1 36 55 GLY . 17937 1 37 56 LYS . 17937 1 38 57 TRP . 17937 1 39 58 VAL . 17937 1 40 59 GLY . 17937 1 41 60 VAL . 17937 1 42 61 ILE . 17937 1 43 62 LEU . 17937 1 44 63 ASP . 17937 1 45 64 GLU . 17937 1 46 65 ALA . 17937 1 47 66 LYS . 17937 1 48 67 GLY . 17937 1 49 68 LYS . 17937 1 50 69 ASN . 17937 1 51 70 ASP . 17937 1 52 71 GLY . 17937 1 53 72 THR . 17937 1 54 73 VAL . 17937 1 55 74 GLN . 17937 1 56 75 GLY . 17937 1 57 76 ARG . 17937 1 58 77 LYS . 17937 1 59 78 TYR . 17937 1 60 79 PHE . 17937 1 61 80 THR . 17937 1 62 81 CYS . 17937 1 63 82 ASP . 17937 1 64 83 GLU . 17937 1 65 84 GLY . 17937 1 66 85 HIS . 17937 1 67 86 GLY . 17937 1 68 87 ILE . 17937 1 69 88 PHE . 17937 1 70 89 VAL . 17937 1 71 90 ARG . 17937 1 72 91 GLN . 17937 1 73 92 SER . 17937 1 74 93 GLN . 17937 1 75 94 ILE . 17937 1 76 95 GLN . 17937 1 77 96 VAL . 17937 1 78 97 PHE . 17937 1 79 98 GLU . 17937 1 80 99 ASP . 17937 1 81 100 GLY . 17937 1 82 101 ALA . 17937 1 83 102 ASP . 17937 1 84 103 THR . 17937 1 85 104 THR . 17937 1 86 105 SER . 17937 1 87 106 PRO . 17937 1 88 107 GLU . 17937 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 . THR 1 1 17937 1 . GLU 2 2 17937 1 . ALA 3 3 17937 1 . SER 4 4 17937 1 . ALA 5 5 17937 1 . ARG 6 6 17937 1 . PRO 7 7 17937 1 . LEU 8 8 17937 1 . ARG 9 9 17937 1 . VAL 10 10 17937 1 . GLY 11 11 17937 1 . SER 12 12 17937 1 . ARG 13 13 17937 1 . VAL 14 14 17937 1 . GLU 15 15 17937 1 . VAL 16 16 17937 1 . ILE 17 17 17937 1 . GLY 18 18 17937 1 . LYS 19 19 17937 1 . GLY 20 20 17937 1 . HIS 21 21 17937 1 . ARG 22 22 17937 1 . GLY 23 23 17937 1 . THR 24 24 17937 1 . VAL 25 25 17937 1 . ALA 26 26 17937 1 . TYR 27 27 17937 1 . VAL 28 28 17937 1 . GLY 29 29 17937 1 . ALA 30 30 17937 1 . THR 31 31 17937 1 . LEU 32 32 17937 1 . PHE 33 33 17937 1 . ALA 34 34 17937 1 . THR 35 35 17937 1 . GLY 36 36 17937 1 . LYS 37 37 17937 1 . TRP 38 38 17937 1 . VAL 39 39 17937 1 . GLY 40 40 17937 1 . VAL 41 41 17937 1 . ILE 42 42 17937 1 . LEU 43 43 17937 1 . ASP 44 44 17937 1 . GLU 45 45 17937 1 . ALA 46 46 17937 1 . LYS 47 47 17937 1 . GLY 48 48 17937 1 . LYS 49 49 17937 1 . ASN 50 50 17937 1 . ASP 51 51 17937 1 . GLY 52 52 17937 1 . THR 53 53 17937 1 . VAL 54 54 17937 1 . GLN 55 55 17937 1 . GLY 56 56 17937 1 . ARG 57 57 17937 1 . LYS 58 58 17937 1 . TYR 59 59 17937 1 . PHE 60 60 17937 1 . THR 61 61 17937 1 . CYS 62 62 17937 1 . ASP 63 63 17937 1 . GLU 64 64 17937 1 . GLY 65 65 17937 1 . HIS 66 66 17937 1 . GLY 67 67 17937 1 . ILE 68 68 17937 1 . PHE 69 69 17937 1 . VAL 70 70 17937 1 . ARG 71 71 17937 1 . GLN 72 72 17937 1 . SER 73 73 17937 1 . GLN 74 74 17937 1 . ILE 75 75 17937 1 . GLN 76 76 17937 1 . VAL 77 77 17937 1 . PHE 78 78 17937 1 . GLU 79 79 17937 1 . ASP 80 80 17937 1 . GLY 81 81 17937 1 . ALA 82 82 17937 1 . ASP 83 83 17937 1 . THR 84 84 17937 1 . THR 85 85 17937 1 . SER 86 86 17937 1 . PRO 87 87 17937 1 . GLU 88 88 17937 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 17937 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CAP-Gly . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17937 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 17937 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CAP-Gly . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b-His6-SMT3 . . . . . . 17937 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17937 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system Water _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 CAP-Gly '[U-100% 13C; U-100% 15N]' . . 1 $CAP-Gly . . 14 . . mg 0.5 . . . 17937 1 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 17937 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 . mM 17937 1 pH 6.0 . pH 17937 1 pressure 1 . atm 17937 1 temperature 256.3 . K 17937 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17937 _Sample_condition_list.ID 2 _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' 30 . mM 17937 2 pH 6.0 . pH 17937 2 pressure 1 . atm 17937 2 temperature 258 . K 17937 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17937 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17937 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17937 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17937 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17937 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17937 2 stop_ save_ save_Roland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Roland_NMR_Toolkit _Software.Entry_ID 17937 _Software.ID 3 _Software.Name 'Rowland NMR Toolkit' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(RNMRTK)-Hoch, Stern, Li, Mobli, Maciejewski, Gryk' . . 17937 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17937 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17937 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InfinityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17937 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17937 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian InfinityPlus . 600 . . . 17937 1 2 spectrometer_2 Varian INOVA . 900 . . . 17937 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17937 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 DARR no . . . . . . . . . . 1 $sample_1 solid . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17937 1 2 NCA no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 3 NCO no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 4 NCACB no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 5 NCACX no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 6 CTUC-COCA no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 7 CTUC-CACB no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 8 CTUC-NCOCA no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 9 NCOCX no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 10 DARR no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17937 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17937 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17937 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17937 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17937 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 4 NCACB . . . 17937 1 5 NCACX . . . 17937 1 8 CTUC-NCOCA . . . 17937 1 9 NCOCX . . . 17937 1 10 DARR . . . 17937 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR C C 13 174.1 . . 1 . . . . 20 THR C . 17937 1 2 . 1 1 1 1 THR CA C 13 60.7 . . 1 . . . . 20 THR CA . 17937 1 3 . 1 1 1 1 THR CB C 13 70.1 . . 1 . . . . 20 THR CB . 17937 1 4 . 1 1 1 1 THR CG2 C 13 22.3 . . 1 . . . . 20 THR CG2 . 17937 1 5 . 1 1 1 1 THR N N 15 117.7 . . 1 . . . . 20 THR N . 17937 1 6 . 1 1 2 2 GLU C C 13 176.2 . . 1 . . . . 21 GLU C . 17937 1 7 . 1 1 2 2 GLU CA C 13 55.0 . . 1 . . . . 21 GLU CA . 17937 1 8 . 1 1 2 2 GLU CB C 13 31.7 . . 1 . . . . 21 GLU CB . 17937 1 9 . 1 1 3 3 ALA C C 13 177.0 . . 1 . . . . 22 ALA C . 17937 1 10 . 1 1 3 3 ALA CA C 13 54.0 . . 1 . . . . 22 ALA CA . 17937 1 11 . 1 1 3 3 ALA CB C 13 19.1 . . 1 . . . . 22 ALA CB . 17937 1 12 . 1 1 3 3 ALA N N 15 122.7 . . 1 . . . . 22 ALA N . 17937 1 13 . 1 1 4 4 SER C C 13 174.3 . . 1 . . . . 23 SER C . 17937 1 14 . 1 1 4 4 SER CA C 13 58.9 . . 1 . . . . 23 SER CA . 17937 1 15 . 1 1 4 4 SER CB C 13 63.9 . . 1 . . . . 23 SER CB . 17937 1 16 . 1 1 4 4 SER N N 15 113.2 . . 1 . . . . 23 SER N . 17937 1 17 . 1 1 5 5 ALA C C 13 176.7 . . 1 . . . . 24 ALA C . 17937 1 18 . 1 1 5 5 ALA CA C 13 51.0 . . 1 . . . . 24 ALA CA . 17937 1 19 . 1 1 5 5 ALA CB C 13 20.6 . . 1 . . . . 24 ALA CB . 17937 1 20 . 1 1 5 5 ALA N N 15 125.2 . . 1 . . . . 24 ALA N . 17937 1 21 . 1 1 6 6 ARG C C 13 174.0 . . 1 . . . . 25 ARG C . 17937 1 22 . 1 1 6 6 ARG CA C 13 54.4 . . 1 . . . . 25 ARG CA . 17937 1 23 . 1 1 6 6 ARG CB C 13 32.7 . . 1 . . . . 25 ARG CB . 17937 1 24 . 1 1 6 6 ARG N N 15 121.6 . . 1 . . . . 25 ARG N . 17937 1 25 . 1 1 7 7 PRO C C 13 176.2 . . 1 . . . . 26 PRO C . 17937 1 26 . 1 1 7 7 PRO CA C 13 62.9 . . 1 . . . . 26 PRO CA . 17937 1 27 . 1 1 7 7 PRO CB C 13 32.3 . . 1 . . . . 26 PRO CB . 17937 1 28 . 1 1 7 7 PRO CG C 13 27.7 . . 1 . . . . 26 PRO CG . 17937 1 29 . 1 1 7 7 PRO CD C 13 50.5 . . 1 . . . . 26 PRO CD . 17937 1 30 . 1 1 8 8 LEU C C 13 175.8 . . 1 . . . . 27 LEU C . 17937 1 31 . 1 1 8 8 LEU CA C 13 53.5 . . 1 . . . . 27 LEU CA . 17937 1 32 . 1 1 8 8 LEU CB C 13 42.0 . . 1 . . . . 27 LEU CB . 17937 1 33 . 1 1 8 8 LEU CG C 13 28.6 . . 1 . . . . 27 LEU CG . 17937 1 34 . 1 1 8 8 LEU CD1 C 13 24.9 . . . . . . . 27 LEU CD1 . 17937 1 35 . 1 1 8 8 LEU N N 15 122.7 . . 1 . . . . 27 LEU N . 17937 1 36 . 1 1 9 9 ARG C C 13 175.1 . . 1 . . . . 28 ARG C . 17937 1 37 . 1 1 9 9 ARG CA C 13 54.0 . . 1 . . . . 28 ARG CA . 17937 1 38 . 1 1 9 9 ARG CB C 13 33.2 . . 1 . . . . 28 ARG CB . 17937 1 39 . 1 1 9 9 ARG CD C 13 42.3 . . 1 . . . . 28 ARG CD . 17937 1 40 . 1 1 9 9 ARG N N 15 123.2 . . 1 . . . . 28 ARG N . 17937 1 41 . 1 1 10 10 VAL C C 13 177.1 . . 1 . . . . 29 VAL C . 17937 1 42 . 1 1 10 10 VAL CA C 13 65.8 . . 1 . . . . 29 VAL CA . 17937 1 43 . 1 1 10 10 VAL CB C 13 30.6 . . 1 . . . . 29 VAL CB . 17937 1 44 . 1 1 10 10 VAL CG1 C 13 21.2 . . . . . . . 29 VAL CG1 . 17937 1 45 . 1 1 10 10 VAL N N 15 121.4 . . 1 . . . . 29 VAL N . 17937 1 46 . 1 1 11 11 GLY C C 13 174.3 . . 1 . . . . 30 GLY C . 17937 1 47 . 1 1 11 11 GLY CA C 13 44.7 . . 1 . . . . 30 GLY CA . 17937 1 48 . 1 1 11 11 GLY N N 15 117.4 . . 1 . . . . 30 GLY N . 17937 1 49 . 1 1 12 12 SER C C 13 173.4 . . 1 . . . . 31 SER C . 17937 1 50 . 1 1 12 12 SER CA C 13 60.9 . . 1 . . . . 31 SER CA . 17937 1 51 . 1 1 12 12 SER CB C 13 63.2 . . 1 . . . . 31 SER CB . 17937 1 52 . 1 1 12 12 SER N N 15 119.2 . . 1 . . . . 31 SER N . 17937 1 53 . 1 1 13 13 ARG C C 13 176.5 . . 1 . . . . 32 ARG C . 17937 1 54 . 1 1 13 13 ARG CA C 13 52.7 . . 1 . . . . 32 ARG CA . 17937 1 55 . 1 1 13 13 ARG CB C 13 29.0 . . 1 . . . . 32 ARG CB . 17937 1 56 . 1 1 13 13 ARG N N 15 125.1 . . 1 . . . . 32 ARG N . 17937 1 57 . 1 1 14 14 VAL C C 13 174.4 . . 1 . . . . 33 VAL C . 17937 1 58 . 1 1 14 14 VAL CA C 13 57.2 . . 1 . . . . 33 VAL CA . 17937 1 59 . 1 1 14 14 VAL CB C 13 37.3 . . 1 . . . . 33 VAL CB . 17937 1 60 . 1 1 14 14 VAL CG1 C 13 22.2 . . . . . . . 33 VAL CG1 . 17937 1 61 . 1 1 14 14 VAL N N 15 112.4 . . 1 . . . . 33 VAL N . 17937 1 62 . 1 1 15 15 GLU C C 13 176.2 . . 1 . . . . 34 GLU C . 17937 1 63 . 1 1 15 15 GLU CA C 13 54.0 . . 1 . . . . 34 GLU CA . 17937 1 64 . 1 1 15 15 GLU CB C 13 33.0 . . 1 . . . . 34 GLU CB . 17937 1 65 . 1 1 15 15 GLU N N 15 118.8 . . 1 . . . . 34 GLU N . 17937 1 66 . 1 1 16 16 VAL C C 13 175.2 . . 1 . . . . 35 VAL C . 17937 1 67 . 1 1 16 16 VAL CA C 13 62.4 . . 1 . . . . 35 VAL CA . 17937 1 68 . 1 1 16 16 VAL CB C 13 31.1 . . 1 . . . . 35 VAL CB . 17937 1 69 . 1 1 16 16 VAL CG1 C 13 21.4 . . . . . . . 35 VAL CG1 . 17937 1 70 . 1 1 16 16 VAL CG2 C 13 20.6 . . . . . . . 35 VAL CG2 . 17937 1 71 . 1 1 16 16 VAL N N 15 124.6 . . 1 . . . . 35 VAL N . 17937 1 72 . 1 1 17 17 ILE C C 13 177.5 . . 1 . . . . 36 ILE C . 17937 1 73 . 1 1 17 17 ILE CA C 13 63.9 . . 1 . . . . 36 ILE CA . 17937 1 74 . 1 1 17 17 ILE CB C 13 38.2 . . 1 . . . . 36 ILE CB . 17937 1 75 . 1 1 17 17 ILE CG1 C 13 29.0 . . 1 . . . . 36 ILE CG1 . 17937 1 76 . 1 1 17 17 ILE CG2 C 13 16.7 . . 1 . . . . 36 ILE CG2 . 17937 1 77 . 1 1 17 17 ILE CD1 C 13 13.6 . . 1 . . . . 36 ILE CD1 . 17937 1 78 . 1 1 17 17 ILE N N 15 132.1 . . 1 . . . . 36 ILE N . 17937 1 79 . 1 1 18 18 GLY C C 13 174.3 . . 1 . . . . 37 GLY C . 17937 1 80 . 1 1 18 18 GLY CA C 13 44.4 . . 1 . . . . 37 GLY CA . 17937 1 81 . 1 1 18 18 GLY N N 15 117.4 . . 1 . . . . 37 GLY N . 17937 1 82 . 1 1 19 19 LYS C C 13 176.7 . . 1 . . . . 38 LYS C . 17937 1 83 . 1 1 19 19 LYS CA C 13 54.5 . . 1 . . . . 38 LYS CA . 17937 1 84 . 1 1 19 19 LYS CB C 13 32.5 . . 1 . . . . 38 LYS CB . 17937 1 85 . 1 1 19 19 LYS N N 15 117.3 . . 1 . . . . 38 LYS N . 17937 1 86 . 1 1 20 20 GLY C C 13 173.1 . . 1 . . . . 39 GLY C . 17937 1 87 . 1 1 20 20 GLY CA C 13 45.3 . . 1 . . . . 39 GLY CA . 17937 1 88 . 1 1 20 20 GLY N N 15 106.5 . . 1 . . . . 39 GLY N . 17937 1 89 . 1 1 21 21 HIS C C 13 175.3 . . 1 . . . . 40 HIS C . 17937 1 90 . 1 1 21 21 HIS CA C 13 53.6 . . 1 . . . . 40 HIS CA . 17937 1 91 . 1 1 21 21 HIS CB C 13 31.9 . . 1 . . . . 40 HIS CB . 17937 1 92 . 1 1 21 21 HIS N N 15 116.9 . . 1 . . . . 40 HIS N . 17937 1 93 . 1 1 22 22 ARG C C 13 177.0 . . 1 . . . . 41 ARG C . 17937 1 94 . 1 1 22 22 ARG CA C 13 55.4 . . 1 . . . . 41 ARG CA . 17937 1 95 . 1 1 22 22 ARG CB C 13 32.5 . . 1 . . . . 41 ARG CB . 17937 1 96 . 1 1 22 22 ARG CG C 13 30.5 . . 1 . . . . 41 ARG CG . 17937 1 97 . 1 1 22 22 ARG CD C 13 40.1 . . 1 . . . . 41 ARG CD . 17937 1 98 . 1 1 22 22 ARG N N 15 122.6 . . 1 . . . . 41 ARG N . 17937 1 99 . 1 1 23 23 GLY C C 13 170.6 . . 1 . . . . 42 GLY C . 17937 1 100 . 1 1 23 23 GLY CA C 13 46.8 . . 1 . . . . 42 GLY CA . 17937 1 101 . 1 1 23 23 GLY N N 15 107.2 . . 1 . . . . 42 GLY N . 17937 1 102 . 1 1 24 24 THR C C 13 174.3 . . 1 . . . . 43 THR C . 17937 1 103 . 1 1 24 24 THR CA C 13 60.2 . . 1 . . . . 43 THR CA . 17937 1 104 . 1 1 24 24 THR CB C 13 70.8 . . 1 . . . . 43 THR CB . 17937 1 105 . 1 1 24 24 THR CG2 C 13 21.8 . . 1 . . . . 43 THR CG2 . 17937 1 106 . 1 1 24 24 THR N N 15 117.2 . . 1 . . . . 43 THR N . 17937 1 107 . 1 1 25 25 VAL C C 13 175.4 . . 1 . . . . 44 VAL C . 17937 1 108 . 1 1 25 25 VAL CA C 13 64.5 . . 1 . . . . 44 VAL CA . 17937 1 109 . 1 1 25 25 VAL CB C 13 31.0 . . 1 . . . . 44 VAL CB . 17937 1 110 . 1 1 25 25 VAL CG1 C 13 23.6 . . . . . . . 44 VAL CG1 . 17937 1 111 . 1 1 25 25 VAL CG2 C 13 22.4 . . . . . . . 44 VAL CG2 . 17937 1 112 . 1 1 25 25 VAL N N 15 127.9 . . 1 . . . . 44 VAL N . 17937 1 113 . 1 1 26 26 ALA C C 13 176.0 . . 1 . . . . 45 ALA C . 17937 1 114 . 1 1 26 26 ALA CA C 13 51.1 . . 1 . . . . 45 ALA CA . 17937 1 115 . 1 1 26 26 ALA CB C 13 21.4 . . 1 . . . . 45 ALA CB . 17937 1 116 . 1 1 26 26 ALA N N 15 131.7 . . 1 . . . . 45 ALA N . 17937 1 117 . 1 1 27 27 TYR C C 13 173.0 . . 1 . . . . 46 TYR C . 17937 1 118 . 1 1 27 27 TYR CA C 13 58.4 . . 1 . . . . 46 TYR CA . 17937 1 119 . 1 1 27 27 TYR CB C 13 43.0 . . 1 . . . . 46 TYR CB . 17937 1 120 . 1 1 27 27 TYR CG C 13 128.6 . . 1 . . . . 46 TYR CG . 17937 1 121 . 1 1 27 27 TYR N N 15 120.6 . . 1 . . . . 46 TYR N . 17937 1 122 . 1 1 28 28 VAL C C 13 174.4 . . 1 . . . . 47 VAL C . 17937 1 123 . 1 1 28 28 VAL CA C 13 61.2 . . 1 . . . . 47 VAL CA . 17937 1 124 . 1 1 28 28 VAL CB C 13 35.1 . . 1 . . . . 47 VAL CB . 17937 1 125 . 1 1 28 28 VAL CG1 C 13 21.8 . . . . . . . 47 VAL CG1 . 17937 1 126 . 1 1 28 28 VAL CG2 C 13 21.1 . . . . . . . 47 VAL CG2 . 17937 1 127 . 1 1 28 28 VAL N N 15 128.0 . . 1 . . . . 47 VAL N . 17937 1 128 . 1 1 29 29 GLY C C 13 172.0 . . 1 . . . . 48 GLY C . 17937 1 129 . 1 1 29 29 GLY CA C 13 44.9 . . 1 . . . . 48 GLY CA . 17937 1 130 . 1 1 29 29 GLY N N 15 113.4 . . 1 . . . . 48 GLY N . 17937 1 131 . 1 1 30 30 ALA C C 13 178.3 . . 1 . . . . 49 ALA C . 17937 1 132 . 1 1 30 30 ALA CA C 13 52.1 . . 1 . . . . 49 ALA CA . 17937 1 133 . 1 1 30 30 ALA CB C 13 20.0 . . 1 . . . . 49 ALA CB . 17937 1 134 . 1 1 30 30 ALA N N 15 123.4 . . 1 . . . . 49 ALA N . 17937 1 135 . 1 1 31 31 THR C C 13 173.2 . . 1 . . . . 50 THR C . 17937 1 136 . 1 1 31 31 THR CA C 13 59.0 . . 1 . . . . 50 THR CA . 17937 1 137 . 1 1 31 31 THR CB C 13 71.9 . . 1 . . . . 50 THR CB . 17937 1 138 . 1 1 31 31 THR CG2 C 13 21.5 . . 1 . . . . 50 THR CG2 . 17937 1 139 . 1 1 31 31 THR N N 15 112.1 . . 1 . . . . 50 THR N . 17937 1 140 . 1 1 32 32 LEU C C 13 177.4 . . 1 . . . . 51 LEU C . 17937 1 141 . 1 1 32 32 LEU CA C 13 54.7 . . 1 . . . . 51 LEU CA . 17937 1 142 . 1 1 32 32 LEU CB C 13 41.0 . . 1 . . . . 51 LEU CB . 17937 1 143 . 1 1 32 32 LEU CG C 13 26.6 . . 1 . . . . 51 LEU CG . 17937 1 144 . 1 1 32 32 LEU CD1 C 13 22.1 . . . . . . . 51 LEU CD1 . 17937 1 145 . 1 1 32 32 LEU N N 15 113.0 . . 1 . . . . 51 LEU N . 17937 1 146 . 1 1 33 33 PHE C C 13 174.1 . . 1 . . . . 52 PHE C . 17937 1 147 . 1 1 33 33 PHE CA C 13 55.8 . . 1 . . . . 52 PHE CA . 17937 1 148 . 1 1 33 33 PHE CB C 13 38.2 . . 1 . . . . 52 PHE CB . 17937 1 149 . 1 1 33 33 PHE N N 15 111.5 . . 1 . . . . 52 PHE N . 17937 1 150 . 1 1 34 34 ALA C C 13 176.1 . . 1 . . . . 53 ALA C . 17937 1 151 . 1 1 34 34 ALA CA C 13 51.1 . . 1 . . . . 53 ALA CA . 17937 1 152 . 1 1 34 34 ALA CB C 13 22.1 . . 1 . . . . 53 ALA CB . 17937 1 153 . 1 1 34 34 ALA N N 15 123.3 . . 1 . . . . 53 ALA N . 17937 1 154 . 1 1 35 35 THR C C 13 175.9 . . 1 . . . . 54 THR C . 17937 1 155 . 1 1 35 35 THR CA C 13 61.8 . . 1 . . . . 54 THR CA . 17937 1 156 . 1 1 35 35 THR CB C 13 70.5 . . 1 . . . . 54 THR CB . 17937 1 157 . 1 1 35 35 THR CG2 C 13 21.6 . . 1 . . . . 54 THR CG2 . 17937 1 158 . 1 1 35 35 THR N N 15 110.5 . . 1 . . . . 54 THR N . 17937 1 159 . 1 1 36 36 GLY C C 13 172.2 . . 1 . . . . 55 GLY C . 17937 1 160 . 1 1 36 36 GLY CA C 13 45.4 . . 1 . . . . 55 GLY CA . 17937 1 161 . 1 1 36 36 GLY N N 15 110.4 . . 1 . . . . 55 GLY N . 17937 1 162 . 1 1 37 37 LYS C C 13 176.3 . . 1 . . . . 56 LYS C . 17937 1 163 . 1 1 37 37 LYS CA C 13 56.4 . . 1 . . . . 56 LYS CA . 17937 1 164 . 1 1 37 37 LYS CB C 13 33.2 . . 1 . . . . 56 LYS CB . 17937 1 165 . 1 1 37 37 LYS CG C 13 25.0 . . 1 . . . . 56 LYS CG . 17937 1 166 . 1 1 37 37 LYS CD C 13 29.0 . . 1 . . . . 56 LYS CD . 17937 1 167 . 1 1 37 37 LYS CE C 13 42.1 . . 1 . . . . 56 LYS CE . 17937 1 168 . 1 1 37 37 LYS N N 15 121.0 . . 1 . . . . 56 LYS N . 17937 1 169 . 1 1 38 38 TRP C C 13 173.5 . . 1 . . . . 57 TRP C . 17937 1 170 . 1 1 38 38 TRP CA C 13 56.3 . . 1 . . . . 57 TRP CA . 17937 1 171 . 1 1 38 38 TRP CB C 13 33.0 . . 1 . . . . 57 TRP CB . 17937 1 172 . 1 1 38 38 TRP CG C 13 110.0 . . 1 . . . . 57 TRP CG . 17937 1 173 . 1 1 38 38 TRP CD1 C 13 129.5 . . 1 . . . . 57 TRP CD1 . 17937 1 174 . 1 1 38 38 TRP N N 15 130.5 . . 1 . . . . 57 TRP N . 17937 1 175 . 1 1 39 39 VAL C C 13 176.2 . . 1 . . . . 58 VAL C . 17937 1 176 . 1 1 39 39 VAL CA C 13 60.5 . . 1 . . . . 58 VAL CA . 17937 1 177 . 1 1 39 39 VAL CB C 13 32.8 . . 1 . . . . 58 VAL CB . 17937 1 178 . 1 1 39 39 VAL CG1 C 13 23.3 . . . . . . . 58 VAL CG1 . 17937 1 179 . 1 1 39 39 VAL CG2 C 13 20.3 . . . . . . . 58 VAL CG2 . 17937 1 180 . 1 1 39 39 VAL N N 15 120.1 . . 1 . . . . 58 VAL N . 17937 1 181 . 1 1 40 40 GLY C C 13 172.0 . . 1 . . . . 59 GLY C . 17937 1 182 . 1 1 40 40 GLY CA C 13 45.5 . . 1 . . . . 59 GLY CA . 17937 1 183 . 1 1 40 40 GLY N N 15 115.7 . . 1 . . . . 59 GLY N . 17937 1 184 . 1 1 41 41 VAL C C 13 173.0 . . 1 . . . . 60 VAL C . 17937 1 185 . 1 1 41 41 VAL CA C 13 60.2 . . 1 . . . . 60 VAL CA . 17937 1 186 . 1 1 41 41 VAL CB C 13 34.6 . . 1 . . . . 60 VAL CB . 17937 1 187 . 1 1 41 41 VAL CG1 C 13 21.9 . . . . . . . 60 VAL CG1 . 17937 1 188 . 1 1 41 41 VAL CG2 C 13 21.1 . . . . . . . 60 VAL CG2 . 17937 1 189 . 1 1 41 41 VAL N N 15 128.4 . . 1 . . . . 60 VAL N . 17937 1 190 . 1 1 42 42 ILE C C 13 177.4 . . 1 . . . . 61 ILE C . 17937 1 191 . 1 1 42 42 ILE CA C 13 60.3 . . 1 . . . . 61 ILE CA . 17937 1 192 . 1 1 42 42 ILE CB C 13 37.9 . . 1 . . . . 61 ILE CB . 17937 1 193 . 1 1 42 42 ILE CG1 C 13 27.5 . . 1 . . . . 61 ILE CG1 . 17937 1 194 . 1 1 42 42 ILE CG2 C 13 17.6 . . 1 . . . . 61 ILE CG2 . 17937 1 195 . 1 1 42 42 ILE CD1 C 13 14.2 . . 1 . . . . 61 ILE CD1 . 17937 1 196 . 1 1 42 42 ILE N N 15 124.1 . . 1 . . . . 61 ILE N . 17937 1 197 . 1 1 43 43 LEU C C 13 177.4 . . 1 . . . . 62 LEU C . 17937 1 198 . 1 1 43 43 LEU CA C 13 55.1 . . 1 . . . . 62 LEU CA . 17937 1 199 . 1 1 43 43 LEU CB C 13 41.2 . . 1 . . . . 62 LEU CB . 17937 1 200 . 1 1 43 43 LEU CG C 13 27.3 . . 1 . . . . 62 LEU CG . 17937 1 201 . 1 1 43 43 LEU CD1 C 13 24.3 . . . . . . . 62 LEU CD1 . 17937 1 202 . 1 1 43 43 LEU N N 15 133.4 . . 1 . . . . 62 LEU N . 17937 1 203 . 1 1 44 44 ASP C C 13 177.4 . . 1 . . . . 63 ASP C . 17937 1 204 . 1 1 44 44 ASP CA C 13 57.0 . . 1 . . . . 63 ASP CA . 17937 1 205 . 1 1 44 44 ASP CB C 13 39.6 . . 1 . . . . 63 ASP CB . 17937 1 206 . 1 1 44 44 ASP CG C 13 179.7 . . 1 . . . . 63 ASP CG . 17937 1 207 . 1 1 44 44 ASP N N 15 124.8 . . 1 . . . . 63 ASP N . 17937 1 208 . 1 1 45 45 GLU C C 13 176.1 . . 1 . . . . 64 GLU C . 17937 1 209 . 1 1 45 45 GLU CA C 13 54.5 . . 1 . . . . 64 GLU CA . 17937 1 210 . 1 1 45 45 GLU CB C 13 32.8 . . 1 . . . . 64 GLU CB . 17937 1 211 . 1 1 45 45 GLU CG C 13 36.9 . . 1 . . . . 64 GLU CG . 17937 1 212 . 1 1 45 45 GLU N N 15 119.0 . . 1 . . . . 64 GLU N . 17937 1 213 . 1 1 46 46 ALA C C 13 177.6 . . 1 . . . . 65 ALA C . 17937 1 214 . 1 1 46 46 ALA CA C 13 50.4 . . 1 . . . . 65 ALA CA . 17937 1 215 . 1 1 46 46 ALA CB C 13 15.3 . . 1 . . . . 65 ALA CB . 17937 1 216 . 1 1 46 46 ALA N N 15 124.9 . . 1 . . . . 65 ALA N . 17937 1 217 . 1 1 47 47 LYS C C 13 176.5 . . 1 . . . . 66 LYS C . 17937 1 218 . 1 1 47 47 LYS CA C 13 54.3 . . 1 . . . . 66 LYS CA . 17937 1 219 . 1 1 47 47 LYS CB C 13 32.2 . . 1 . . . . 66 LYS CB . 17937 1 220 . 1 1 47 47 LYS CG C 13 24.3 . . 1 . . . . 66 LYS CG . 17937 1 221 . 1 1 47 47 LYS CD C 13 28.5 . . 1 . . . . 66 LYS CD . 17937 1 222 . 1 1 47 47 LYS CE C 13 40.2 . . 1 . . . . 66 LYS CE . 17937 1 223 . 1 1 47 47 LYS N N 15 123.2 . . 1 . . . . 66 LYS N . 17937 1 224 . 1 1 48 48 GLY C C 13 172.2 . . 1 . . . . 67 GLY C . 17937 1 225 . 1 1 48 48 GLY CA C 13 43.8 . . 1 . . . . 67 GLY CA . 17937 1 226 . 1 1 48 48 GLY N N 15 109.0 . . 1 . . . . 67 GLY N . 17937 1 227 . 1 1 49 49 LYS C C 13 175.9 . . 1 . . . . 68 LYS C . 17937 1 228 . 1 1 49 49 LYS CA C 13 56.0 . . 1 . . . . 68 LYS CA . 17937 1 229 . 1 1 49 49 LYS CB C 13 36.5 . . 1 . . . . 68 LYS CB . 17937 1 230 . 1 1 49 49 LYS CG C 13 24.9 . . 1 . . . . 68 LYS CG . 17937 1 231 . 1 1 49 49 LYS CD C 13 28.4 . . 1 . . . . 68 LYS CD . 17937 1 232 . 1 1 49 49 LYS CE C 13 42.1 . . 1 . . . . 68 LYS CE . 17937 1 233 . 1 1 49 49 LYS N N 15 116.3 . . 1 . . . . 68 LYS N . 17937 1 234 . 1 1 50 50 ASN C C 13 173.3 . . 1 . . . . 69 ASN C . 17937 1 235 . 1 1 50 50 ASN CA C 13 53.2 . . 1 . . . . 69 ASN CA . 17937 1 236 . 1 1 50 50 ASN CB C 13 40.0 . . 1 . . . . 69 ASN CB . 17937 1 237 . 1 1 50 50 ASN N N 15 116.9 . . 1 . . . . 69 ASN N . 17937 1 238 . 1 1 51 51 ASP C C 13 178.2 . . 1 . . . . 70 ASP C . 17937 1 239 . 1 1 51 51 ASP CA C 13 52.6 . . 1 . . . . 70 ASP CA . 17937 1 240 . 1 1 51 51 ASP CB C 13 40.5 . . 1 . . . . 70 ASP CB . 17937 1 241 . 1 1 51 51 ASP CG C 13 181.8 . . 1 . . . . 70 ASP CG . 17937 1 242 . 1 1 51 51 ASP N N 15 119.0 . . 1 . . . . 70 ASP N . 17937 1 243 . 1 1 52 52 GLY C C 13 174.0 . . 1 . . . . 71 GLY C . 17937 1 244 . 1 1 52 52 GLY CA C 13 43.3 . . 1 . . . . 71 GLY CA . 17937 1 245 . 1 1 52 52 GLY N N 15 110.7 . . 1 . . . . 71 GLY N . 17937 1 246 . 1 1 53 53 THR C C 13 174.3 . . 1 . . . . 72 THR C . 17937 1 247 . 1 1 53 53 THR CA C 13 61.1 . . 1 . . . . 72 THR CA . 17937 1 248 . 1 1 53 53 THR CB C 13 70.6 . . 1 . . . . 72 THR CB . 17937 1 249 . 1 1 53 53 THR CG2 C 13 21.7 . . 1 . . . . 72 THR CG2 . 17937 1 250 . 1 1 53 53 THR N N 15 117.5 . . 1 . . . . 72 THR N . 17937 1 251 . 1 1 54 54 VAL C C 13 176.4 . . 1 . . . . 73 VAL C . 17937 1 252 . 1 1 54 54 VAL CA C 13 61.2 . . 1 . . . . 73 VAL CA . 17937 1 253 . 1 1 54 54 VAL CB C 13 35.6 . . 1 . . . . 73 VAL CB . 17937 1 254 . 1 1 54 54 VAL CG1 C 13 22.0 . . . . . . . 73 VAL CG1 . 17937 1 255 . 1 1 54 54 VAL CG2 C 13 21.0 . . . . . . . 73 VAL CG2 . 17937 1 256 . 1 1 54 54 VAL N N 15 122.7 . . 1 . . . . 73 VAL N . 17937 1 257 . 1 1 55 55 GLN C C 13 175.4 . . 1 . . . . 74 GLN C . 17937 1 258 . 1 1 55 55 GLN CA C 13 56.0 . . 1 . . . . 74 GLN CA . 17937 1 259 . 1 1 55 55 GLN CB C 13 25.9 . . 1 . . . . 74 GLN CB . 17937 1 260 . 1 1 55 55 GLN CG C 13 31.4 . . 1 . . . . 74 GLN CG . 17937 1 261 . 1 1 55 55 GLN CD C 13 176.3 . . 1 . . . . 74 GLN CD . 17937 1 262 . 1 1 55 55 GLN N N 15 130.8 . . 1 . . . . 74 GLN N . 17937 1 263 . 1 1 56 56 GLY C C 13 172.7 . . 1 . . . . 75 GLY C . 17937 1 264 . 1 1 56 56 GLY CA C 13 44.9 . . 1 . . . . 75 GLY CA . 17937 1 265 . 1 1 56 56 GLY N N 15 103.6 . . 1 . . . . 75 GLY N . 17937 1 266 . 1 1 57 57 ARG C C 13 172.9 . . 1 . . . . 76 ARG C . 17937 1 267 . 1 1 57 57 ARG CA C 13 52.7 . . 1 . . . . 76 ARG CA . 17937 1 268 . 1 1 57 57 ARG CB C 13 32.2 . . 1 . . . . 76 ARG CB . 17937 1 269 . 1 1 57 57 ARG CG C 13 28.1 . . 1 . . . . 76 ARG CG . 17937 1 270 . 1 1 57 57 ARG CD C 13 42.2 . . 1 . . . . 76 ARG CD . 17937 1 271 . 1 1 57 57 ARG N N 15 121.9 . . 1 . . . . 76 ARG N . 17937 1 272 . 1 1 58 58 LYS C C 13 176.1 . . 1 . . . . 77 LYS C . 17937 1 273 . 1 1 58 58 LYS CA C 13 55.5 . . 1 . . . . 77 LYS CA . 17937 1 274 . 1 1 58 58 LYS CB C 13 32.1 . . 1 . . . . 77 LYS CB . 17937 1 275 . 1 1 58 58 LYS CG C 13 24.7 . . 1 . . . . 77 LYS CG . 17937 1 276 . 1 1 58 58 LYS CD C 13 28.9 . . 1 . . . . 77 LYS CD . 17937 1 277 . 1 1 58 58 LYS CE C 13 42.5 . . 1 . . . . 77 LYS CE . 17937 1 278 . 1 1 58 58 LYS N N 15 127.3 . . 1 . . . . 77 LYS N . 17937 1 279 . 1 1 59 59 TYR C C 13 174.5 . . 1 . . . . 78 TYR C . 17937 1 280 . 1 1 59 59 TYR CA C 13 60.5 . . 1 . . . . 78 TYR CA . 17937 1 281 . 1 1 59 59 TYR CB C 13 39.0 . . 1 . . . . 78 TYR CB . 17937 1 282 . 1 1 59 59 TYR CG C 13 130.5 . . 1 . . . . 78 TYR CG . 17937 1 283 . 1 1 59 59 TYR N N 15 127.1 . . 1 . . . . 78 TYR N . 17937 1 284 . 1 1 60 60 PHE C C 13 172.6 . . 1 . . . . 79 PHE C . 17937 1 285 . 1 1 60 60 PHE CA C 13 55.3 . . 1 . . . . 79 PHE CA . 17937 1 286 . 1 1 60 60 PHE CB C 13 37.9 . . 1 . . . . 79 PHE CB . 17937 1 287 . 1 1 60 60 PHE CG C 13 137.5 . . 1 . . . . 79 PHE CG . 17937 1 288 . 1 1 60 60 PHE CD1 C 13 132.2 . . . . . . . 79 PHE CD1 . 17937 1 289 . 1 1 60 60 PHE CE1 C 13 130.7 . . . . . . . 79 PHE CE1 . 17937 1 290 . 1 1 60 60 PHE CZ C 13 129.9 . . 1 . . . . 79 PHE CZ . 17937 1 291 . 1 1 60 60 PHE N N 15 113.7 . . 1 . . . . 79 PHE N . 17937 1 292 . 1 1 61 61 THR C C 13 172.4 . . 1 . . . . 80 THR C . 17937 1 293 . 1 1 61 61 THR CA C 13 62.2 . . 1 . . . . 80 THR CA . 17937 1 294 . 1 1 61 61 THR CB C 13 70.7 . . 1 . . . . 80 THR CB . 17937 1 295 . 1 1 61 61 THR CG2 C 13 20.9 . . 1 . . . . 80 THR CG2 . 17937 1 296 . 1 1 61 61 THR N N 15 115.0 . . 1 . . . . 80 THR N . 17937 1 297 . 1 1 62 62 CYS C C 13 172.0 . . 1 . . . . 81 CYS C . 17937 1 298 . 1 1 62 62 CYS CA C 13 55.6 . . 1 . . . . 81 CYS CA . 17937 1 299 . 1 1 62 62 CYS CB C 13 32.0 . . 1 . . . . 81 CYS CB . 17937 1 300 . 1 1 62 62 CYS N N 15 120.8 . . 1 . . . . 81 CYS N . 17937 1 301 . 1 1 63 63 ASP C C 13 176.1 . . 1 . . . . 82 ASP C . 17937 1 302 . 1 1 63 63 ASP CA C 13 54.0 . . 1 . . . . 82 ASP CA . 17937 1 303 . 1 1 63 63 ASP CB C 13 40.4 . . 1 . . . . 82 ASP CB . 17937 1 304 . 1 1 63 63 ASP N N 15 118.0 . . 1 . . . . 82 ASP N . 17937 1 305 . 1 1 64 64 GLU C C 13 177.4 . . 1 . . . . 83 GLU C . 17937 1 306 . 1 1 64 64 GLU CA C 13 57.9 . . 1 . . . . 83 GLU CA . 17937 1 307 . 1 1 64 64 GLU CB C 13 29.4 . . 1 . . . . 83 GLU CB . 17937 1 308 . 1 1 64 64 GLU CG C 13 36.8 . . 1 . . . . 83 GLU CG . 17937 1 309 . 1 1 64 64 GLU CD C 13 183.8 . . 1 . . . . 83 GLU CD . 17937 1 310 . 1 1 64 64 GLU N N 15 121.5 . . 1 . . . . 83 GLU N . 17937 1 311 . 1 1 65 65 GLY C C 13 173.7 . . 1 . . . . 84 GLY C . 17937 1 312 . 1 1 65 65 GLY CA C 13 45.0 . . 1 . . . . 84 GLY CA . 17937 1 313 . 1 1 65 65 GLY N N 15 111.6 . . 1 . . . . 84 GLY N . 17937 1 314 . 1 1 66 66 HIS C C 13 173.5 . . 1 . . . . 85 HIS C . 17937 1 315 . 1 1 66 66 HIS CA C 13 55.6 . . 1 . . . . 85 HIS CA . 17937 1 316 . 1 1 66 66 HIS CB C 13 28.7 . . 1 . . . . 85 HIS CB . 17937 1 317 . 1 1 66 66 HIS N N 15 113.8 . . 1 . . . . 85 HIS N . 17937 1 318 . 1 1 67 67 GLY C C 13 173.6 . . 1 . . . . 86 GLY C . 17937 1 319 . 1 1 67 67 GLY CA C 13 44.9 . . 1 . . . . 86 GLY CA . 17937 1 320 . 1 1 67 67 GLY N N 15 112.8 . . 1 . . . . 86 GLY N . 17937 1 321 . 1 1 68 68 ILE CA C 13 60.5 . . 1 . . . . 87 ILE CA . 17937 1 322 . 1 1 68 68 ILE CB C 13 43.0 . . 1 . . . . 87 ILE CB . 17937 1 323 . 1 1 68 68 ILE CG1 C 13 25.7 . . 1 . . . . 87 ILE CG1 . 17937 1 324 . 1 1 68 68 ILE CG2 C 13 19.7 . . 1 . . . . 87 ILE CG2 . 17937 1 325 . 1 1 68 68 ILE CD1 C 13 14.8 . . 1 . . . . 87 ILE CD1 . 17937 1 326 . 1 1 68 68 ILE N N 15 119.2 . . 1 . . . . 87 ILE N . 17937 1 327 . 1 1 69 69 PHE C C 13 175.3 . . 1 . . . . 88 PHE C . 17937 1 328 . 1 1 69 69 PHE CA C 13 57.6 . . 1 . . . . 88 PHE CA . 17937 1 329 . 1 1 69 69 PHE CB C 13 42.2 . . 1 . . . . 88 PHE CB . 17937 1 330 . 1 1 69 69 PHE CG C 13 141.6 . . 1 . . . . 88 PHE CG . 17937 1 331 . 1 1 69 69 PHE N N 15 122.6 . . 1 . . . . 88 PHE N . 17937 1 332 . 1 1 70 70 VAL C C 13 175.0 . . 1 . . . . 89 VAL C . 17937 1 333 . 1 1 70 70 VAL CA C 13 58.6 . . 1 . . . . 89 VAL CA . 17937 1 334 . 1 1 70 70 VAL CB C 13 36.5 . . 1 . . . . 89 VAL CB . 17937 1 335 . 1 1 70 70 VAL CG1 C 13 22.8 . . . . . . . 89 VAL CG1 . 17937 1 336 . 1 1 70 70 VAL CG2 C 13 18.4 . . . . . . . 89 VAL CG2 . 17937 1 337 . 1 1 70 70 VAL N N 15 115.2 . . 1 . . . . 89 VAL N . 17937 1 338 . 1 1 71 71 ARG C C 13 178.6 . . 1 . . . . 90 ARG C . 17937 1 339 . 1 1 71 71 ARG CA C 13 53.1 . . 1 . . . . 90 ARG CA . 17937 1 340 . 1 1 71 71 ARG CB C 13 31.7 . . 1 . . . . 90 ARG CB . 17937 1 341 . 1 1 71 71 ARG CD C 13 40.0 . . 1 . . . . 90 ARG CD . 17937 1 342 . 1 1 71 71 ARG N N 15 117.9 . . 1 . . . . 90 ARG N . 17937 1 343 . 1 1 72 72 GLN C C 13 176.4 . . 1 . . . . 91 GLN C . 17937 1 344 . 1 1 72 72 GLN CA C 13 59.1 . . 1 . . . . 91 GLN CA . 17937 1 345 . 1 1 72 72 GLN CB C 13 27.2 . . 1 . . . . 91 GLN CB . 17937 1 346 . 1 1 72 72 GLN N N 15 123.2 . . 1 . . . . 91 GLN N . 17937 1 347 . 1 1 73 73 SER C C 13 175.5 . . 1 . . . . 92 SER C . 17937 1 348 . 1 1 73 73 SER CA C 13 59.4 . . 1 . . . . 92 SER CA . 17937 1 349 . 1 1 73 73 SER CB C 13 62.6 . . 1 . . . . 92 SER CB . 17937 1 350 . 1 1 73 73 SER N N 15 111.1 . . 1 . . . . 92 SER N . 17937 1 351 . 1 1 74 74 GLN C C 13 175.2 . . 1 . . . . 93 GLN C . 17937 1 352 . 1 1 74 74 GLN CA C 13 56.2 . . 1 . . . . 93 GLN CA . 17937 1 353 . 1 1 74 74 GLN CB C 13 31.5 . . 1 . . . . 93 GLN CB . 17937 1 354 . 1 1 74 74 GLN CG C 13 36.6 . . 1 . . . . 93 GLN CG . 17937 1 355 . 1 1 74 74 GLN N N 15 118.3 . . 1 . . . . 93 GLN N . 17937 1 356 . 1 1 75 75 ILE C C 13 173.7 . . 1 . . . . 94 ILE C . 17937 1 357 . 1 1 75 75 ILE CA C 13 57.9 . . 1 . . . . 94 ILE CA . 17937 1 358 . 1 1 75 75 ILE CB C 13 43.4 . . 1 . . . . 94 ILE CB . 17937 1 359 . 1 1 75 75 ILE CG1 C 13 24.7 . . 1 . . . . 94 ILE CG1 . 17937 1 360 . 1 1 75 75 ILE CG2 C 13 19.7 . . 1 . . . . 94 ILE CG2 . 17937 1 361 . 1 1 75 75 ILE CD1 C 13 15.1 . . 1 . . . . 94 ILE CD1 . 17937 1 362 . 1 1 75 75 ILE N N 15 113.6 . . 1 . . . . 94 ILE N . 17937 1 363 . 1 1 76 76 GLN CA C 13 54.7 . . 1 . . . . 95 GLN CA . 17937 1 364 . 1 1 76 76 GLN CB C 13 33.2 . . 1 . . . . 95 GLN CB . 17937 1 365 . 1 1 76 76 GLN N N 15 118.8 . . 1 . . . . 95 GLN N . 17937 1 366 . 1 1 77 77 VAL C C 13 175.3 . . 1 . . . . 96 VAL C . 17937 1 367 . 1 1 77 77 VAL CA C 13 62.3 . . 1 . . . . 96 VAL CA . 17937 1 368 . 1 1 77 77 VAL CB C 13 31.9 . . 1 . . . . 96 VAL CB . 17937 1 369 . 1 1 77 77 VAL CG1 C 13 21.9 . . . . . . . 96 VAL CG1 . 17937 1 370 . 1 1 77 77 VAL CG2 C 13 20.7 . . . . . . . 96 VAL CG2 . 17937 1 371 . 1 1 77 77 VAL N N 15 125.5 . . 1 . . . . 96 VAL N . 17937 1 372 . 1 1 78 78 PHE C C 13 174.8 . . 1 . . . . 97 PHE C . 17937 1 373 . 1 1 78 78 PHE CA C 13 56.7 . . 1 . . . . 97 PHE CA . 17937 1 374 . 1 1 78 78 PHE CB C 13 40.0 . . 1 . . . . 97 PHE CB . 17937 1 375 . 1 1 78 78 PHE N N 15 125.6 . . 1 . . . . 97 PHE N . 17937 1 376 . 1 1 79 79 GLU C C 13 175.3 . . 1 . . . . 98 GLU C . 17937 1 377 . 1 1 79 79 GLU CA C 13 54.9 . . 1 . . . . 98 GLU CA . 17937 1 378 . 1 1 79 79 GLU CB C 13 32.9 . . 1 . . . . 98 GLU CB . 17937 1 379 . 1 1 79 79 GLU N N 15 122.4 . . 1 . . . . 98 GLU N . 17937 1 380 . 1 1 80 80 ASP C C 13 176.7 . . 1 . . . . 99 ASP C . 17937 1 381 . 1 1 80 80 ASP CA C 13 55.2 . . 1 . . . . 99 ASP CA . 17937 1 382 . 1 1 80 80 ASP CB C 13 41.9 . . 1 . . . . 99 ASP CB . 17937 1 383 . 1 1 80 80 ASP N N 15 123.1 . . 1 . . . . 99 ASP N . 17937 1 384 . 1 1 81 81 GLY C C 13 171.9 . . 1 . . . . 100 GLY C . 17937 1 385 . 1 1 81 81 GLY CA C 13 45.6 . . 1 . . . . 100 GLY CA . 17937 1 386 . 1 1 81 81 GLY N N 15 110.1 . . 1 . . . . 100 GLY N . 17937 1 387 . 1 1 82 82 ALA C C 13 176.4 . . 1 . . . . 101 ALA C . 17937 1 388 . 1 1 82 82 ALA CA C 13 50.7 . . 1 . . . . 101 ALA CA . 17937 1 389 . 1 1 82 82 ALA CB C 13 19.8 . . 1 . . . . 101 ALA CB . 17937 1 390 . 1 1 82 82 ALA N N 15 123.3 . . 1 . . . . 101 ALA N . 17937 1 391 . 1 1 83 83 ASP C C 13 176.7 . . 1 . . . . 102 ASP C . 17937 1 392 . 1 1 83 83 ASP CA C 13 55.0 . . 1 . . . . 102 ASP CA . 17937 1 393 . 1 1 83 83 ASP CB C 13 40.6 . . 1 . . . . 102 ASP CB . 17937 1 394 . 1 1 83 83 ASP CG C 13 175.7 . . 1 . . . . 102 ASP CG . 17937 1 395 . 1 1 83 83 ASP N N 15 119.1 . . 1 . . . . 102 ASP N . 17937 1 396 . 1 1 84 84 THR C C 13 175.1 . . 1 . . . . 103 THR C . 17937 1 397 . 1 1 84 84 THR CA C 13 61.1 . . 1 . . . . 103 THR CA . 17937 1 398 . 1 1 84 84 THR CB C 13 70.0 . . 1 . . . . 103 THR CB . 17937 1 399 . 1 1 84 84 THR CG2 C 13 22.0 . . 1 . . . . 103 THR CG2 . 17937 1 400 . 1 1 84 84 THR N N 15 114.6 . . 1 . . . . 103 THR N . 17937 1 401 . 1 1 85 85 THR C C 13 175.1 . . 1 . . . . 104 THR C . 17937 1 402 . 1 1 85 85 THR CA C 13 61.7 . . 1 . . . . 104 THR CA . 17937 1 403 . 1 1 85 85 THR CB C 13 70.7 . . 1 . . . . 104 THR CB . 17937 1 404 . 1 1 85 85 THR N N 15 116.2 . . 1 . . . . 104 THR N . 17937 1 405 . 1 1 86 86 SER C C 13 172.4 . . 1 . . . . 105 SER C . 17937 1 406 . 1 1 86 86 SER CA C 13 61.1 . . 1 . . . . 105 SER CA . 17937 1 407 . 1 1 86 86 SER CB C 13 63.4 . . 1 . . . . 105 SER CB . 17937 1 408 . 1 1 86 86 SER N N 15 119.5 . . 1 . . . . 105 SER N . 17937 1 409 . 1 1 87 87 PRO C C 13 176.3 . . 1 . . . . 106 PRO C . 17937 1 410 . 1 1 87 87 PRO CA C 13 62.7 . . 1 . . . . 106 PRO CA . 17937 1 411 . 1 1 87 87 PRO CB C 13 32.4 . . 1 . . . . 106 PRO CB . 17937 1 412 . 1 1 88 88 GLU N N 15 125.7 . . 1 . . . . 107 GLU N . 17937 1 stop_ save_