data_19031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19031 _Entry.Title ; Solid-state Chemical Shift Assignments for p150Glued CAP-Gly Domain in complex with EB1 at 19.9 T ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-12 _Entry.Accession_date 2013-02-12 _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 'The chemical shifts reported here are from the U-13C,U-15N CAP-Gly binding to natural abundance EB1.' _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 . . . 19031 2 Guangjin Hou . . . 19031 3 Charles Schwieters . D. . 19031 4 Shubbir Ahmed . . . 19031 5 John Williams . C. . 19031 6 Tatyana Polenova . . . 19031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 19031 '15N chemical shifts' 65 19031 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 3 . . 2014-06-16 2013-02-11 update BMRB 'update entry authors' 19031 2 . . 2013-10-29 2013-02-12 update BMRB 'update entry citation' 19031 1 . . 2013-06-04 2013-02-12 original author 'original release' 19031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19025 'Using the same NMR experiment conditions, instrument and reference. From the chemical shift difference between the current entry and 19025, we can know the chemical shift perturbations of CAP-Gly upon binding to EB1' 19031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23648839 _Citation.Full_citation . _Citation.Title 'Three-Dimensional Structure of CAP-Gly Domain of Mammalian Dynactin Determined by Magic Angle Spinning NMR Spectroscopy: Conformational Plasticity and Interactions with End-Binding Protein EB1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 22 _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 4249 _Citation.Page_last 4266 _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.Entry_ID _Citation_author.Citation_ID 1 Si Yan . . . 19031 1 2 Guangjin Hou . . . 19031 1 3 Charles Schwieters . D. . 19031 1 4 Shubbir Ahmed . . . 19031 1 5 John Williams . C. . 19031 1 6 Tatyana Polenova . . . 19031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19031 _Assembly.ID 1 _Assembly.Name 'CAP-Gly/EB1 heterotetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 36520 _Assembly.Enzyme_commission_number . _Assembly.Details 'The EB1c forms homodimer first. Then, by adding the p150Gluded CAP-Gly, two molecules of CAP-Gly bind to the EB1c homodimer.' _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' 1 $CAP-Gly A . yes native no no . . . 19031 1 2 'CAP-Gly, 2' 1 $CAP-Gly B . yes native no no . . . 19031 1 3 'EB1, 1' 2 $EB1 C . no native no no . . . 19031 1 4 'EB1, 2' 2 $EB1 D . no native no no . . . 19031 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 1TXQ . . X-ray . . . 19031 1 yes PDB 2COY . . 'solution NMR' . . . 19031 1 yes PDB 2HKN . . X-ray . . . 19031 1 yes PDB 2HKQ . . X-ray . . . 19031 1 yes PDB 2HL3 . . X-ray . . . 19031 1 yes PDB 2HL5 . . X-ray . . . 19031 1 yes PDB 2HQH . . X-ray . . . 19031 1 yes PDB 2M02 . . 'solid-state NMR' . . . 19031 1 yes PDB 3E2U . . X-ray . . . 19031 1 yes PDB 3TQ7 . . X-ray . . . 19031 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Regulating microtubule plus-end dynamics' 19031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAP-Gly _Entity.Sf_category entity _Entity.Sf_framecode CAP-Gly _Entity.Entry_ID 19031 _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 ; STEASARPLRVGSRVEVIGK GHRGTVAYVGATLFATGKWV GVILDEAKGKNDGTVQGRKY FTCDEGHGIFVRQSQIQVFE DGADTTSPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The sequence starts from S19, and ends at E107. Residues S19-P26 and E98-E107 are not assigned due to the dynamics of the termini.' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'CAP-Gly domain of p150Glued subunit of dynactin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9513 _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 17937 . CAP-Gly . . . . . 98.88 88 100.00 100.00 9.76e-56 . . . . 19031 1 2 no BMRB 17938 . CAP-Gly . . . . . 98.88 88 100.00 100.00 9.76e-56 . . . . 19031 1 3 no BMRB 19025 . CAP-Gly . . . . . 100.00 89 100.00 100.00 2.00e-56 . . . . 19031 1 4 no BMRB 25005 . CAP-Gly . . . . . 100.00 89 100.00 100.00 2.00e-56 . . . . 19031 1 5 no PDB 1TXQ . "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" . . . . . 100.00 93 98.88 98.88 7.72e-56 . . . . 19031 1 6 no PDB 2HKN . "Crystal Structure Of The Cap-Gly Domain Of Human Dynactin-1 (P150- Glued)" . . . . . 100.00 97 98.88 98.88 1.00e-55 . . . . 19031 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)" . . . . . 100.00 97 98.88 98.88 1.00e-55 . . . . 19031 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" . . . . . 100.00 97 97.75 97.75 3.78e-55 . . . . 19031 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" . . . . . 100.00 97 97.75 97.75 3.78e-55 . . . . 19031 1 10 no PDB 2HQH . "Crystal Structure Of P150glued And Clip-170" . . . . . 100.00 93 98.88 98.88 7.72e-56 . . . . 19031 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 2.00e-56 . . . . 19031 1 12 no PDB 2MPX . "Three-dimensional Structure Of Cap-gly Domain Assembled On Microtubules Determined By Mas Nmr Spectroscopy" . . . . . 78.65 70 100.00 100.00 6.36e-42 . . . . 19031 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" . . . . . 100.00 97 98.88 98.88 1.00e-55 . . . . 19031 1 14 no PDB 3TQ7 . "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" . . . . . 79.78 71 98.59 98.59 1.25e-41 . . . . 19031 1 15 no DBJ BAE34241 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1243 100.00 100.00 7.64e-52 . . . . 19031 1 16 no DBJ BAE37079 . "unnamed protein product [Mus musculus]" . . . . . 100.00 395 100.00 100.00 5.84e-57 . . . . 19031 1 17 no DBJ BAE42418 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 1.22e-51 . . . . 19031 1 18 no DBJ BAE42912 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 9.78e-52 . . . . 19031 1 19 no DBJ BAE87998 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 409 98.88 98.88 6.18e-56 . . . . 19031 1 20 no EMBL CAA44091 . "150K dynein-associated polypeptide [Rattus norvegicus]" . . . . . 100.00 1280 100.00 100.00 1.18e-51 . . . . 19031 1 21 no EMBL CAA67333 . "dynactin [Homo sapiens]" . . . . . 100.00 1263 98.88 98.88 5.98e-51 . . . . 19031 1 22 no EMBL CAE45882 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 1278 98.88 98.88 8.70e-51 . . . . 19031 1 23 no EMBL CAH10572 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 890 98.88 98.88 2.49e-51 . . . . 19031 1 24 no EMBL CAH10575 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 890 98.88 98.88 2.62e-51 . . . . 19031 1 25 no GB AAB57773 . "dynactin1 [Mus musculus]" . . . . . 100.00 1281 100.00 100.00 1.94e-51 . . . . 19031 1 26 no GB AAD03694 . "dynactin 1 [Homo sapiens]" . . . . . 100.00 1261 98.88 98.88 5.79e-51 . . . . 19031 1 27 no GB AAD55811 . "dynactin 1 p150 isoform [Homo sapiens]" . . . . . 100.00 1278 98.88 98.88 7.89e-51 . . . . 19031 1 28 no GB AAH66061 . "Dctn1 protein [Mus musculus]" . . . . . 100.00 1264 98.88 98.88 4.06e-50 . . . . 19031 1 29 no GB AAI42510 . "DCTN1 protein [Bos taurus]" . . . . . 100.00 1239 98.88 98.88 4.49e-51 . . . . 19031 1 30 no REF NP_001092404 . "dynactin subunit 1 [Bos taurus]" . . . . . 100.00 1239 98.88 98.88 4.49e-51 . . . . 19031 1 31 no REF NP_001127253 . "dynactin subunit 1 [Pongo abelii]" . . . . . 66.29 233 100.00 100.00 5.34e-35 . . . . 19031 1 32 no REF NP_001128512 . "dynactin subunit 1 isoform 3 [Homo sapiens]" . . . . . 100.00 1253 98.88 98.88 4.60e-51 . . . . 19031 1 33 no REF NP_001177765 . "dynactin subunit 1 isoform 5 [Homo sapiens]" . . . . . 100.00 1236 98.88 98.88 4.47e-51 . . . . 19031 1 34 no REF NP_001177766 . "dynactin subunit 1 isoform 6 [Homo sapiens]" . . . . . 100.00 1271 98.88 98.88 6.48e-51 . . . . 19031 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 1.85e-51 . . . . 19031 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 1.18e-51 . . . . 19031 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" . . . . . 100.00 1278 98.88 98.88 7.89e-51 . . . . 19031 1 38 no TPG DAA24857 . "TPA: dynactin 1 [Bos taurus]" . . . . . 100.00 1239 98.88 98.88 4.49e-51 . . . . 19031 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Motor protein associated with microtubules' 19031 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 19 SER . 19031 1 2 20 THR . 19031 1 3 21 GLU . 19031 1 4 22 ALA . 19031 1 5 23 SER . 19031 1 6 24 ALA . 19031 1 7 25 ARG . 19031 1 8 26 PRO . 19031 1 9 27 LEU . 19031 1 10 28 ARG . 19031 1 11 29 VAL . 19031 1 12 30 GLY . 19031 1 13 31 SER . 19031 1 14 32 ARG . 19031 1 15 33 VAL . 19031 1 16 34 GLU . 19031 1 17 35 VAL . 19031 1 18 36 ILE . 19031 1 19 37 GLY . 19031 1 20 38 LYS . 19031 1 21 39 GLY . 19031 1 22 40 HIS . 19031 1 23 41 ARG . 19031 1 24 42 GLY . 19031 1 25 43 THR . 19031 1 26 44 VAL . 19031 1 27 45 ALA . 19031 1 28 46 TYR . 19031 1 29 47 VAL . 19031 1 30 48 GLY . 19031 1 31 49 ALA . 19031 1 32 50 THR . 19031 1 33 51 LEU . 19031 1 34 52 PHE . 19031 1 35 53 ALA . 19031 1 36 54 THR . 19031 1 37 55 GLY . 19031 1 38 56 LYS . 19031 1 39 57 TRP . 19031 1 40 58 VAL . 19031 1 41 59 GLY . 19031 1 42 60 VAL . 19031 1 43 61 ILE . 19031 1 44 62 LEU . 19031 1 45 63 ASP . 19031 1 46 64 GLU . 19031 1 47 65 ALA . 19031 1 48 66 LYS . 19031 1 49 67 GLY . 19031 1 50 68 LYS . 19031 1 51 69 ASN . 19031 1 52 70 ASP . 19031 1 53 71 GLY . 19031 1 54 72 THR . 19031 1 55 73 VAL . 19031 1 56 74 GLN . 19031 1 57 75 GLY . 19031 1 58 76 ARG . 19031 1 59 77 LYS . 19031 1 60 78 TYR . 19031 1 61 79 PHE . 19031 1 62 80 THR . 19031 1 63 81 CYS . 19031 1 64 82 ASP . 19031 1 65 83 GLU . 19031 1 66 84 GLY . 19031 1 67 85 HIS . 19031 1 68 86 GLY . 19031 1 69 87 ILE . 19031 1 70 88 PHE . 19031 1 71 89 VAL . 19031 1 72 90 ARG . 19031 1 73 91 GLN . 19031 1 74 92 SER . 19031 1 75 93 GLN . 19031 1 76 94 ILE . 19031 1 77 95 GLN . 19031 1 78 96 VAL . 19031 1 79 97 PHE . 19031 1 80 98 GLU . 19031 1 81 99 ASP . 19031 1 82 100 GLY . 19031 1 83 101 ALA . 19031 1 84 102 ASP . 19031 1 85 103 THR . 19031 1 86 104 THR . 19031 1 87 105 SER . 19031 1 88 106 PRO . 19031 1 89 107 GLU . 19031 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 19031 1 . THR 2 2 19031 1 . GLU 3 3 19031 1 . ALA 4 4 19031 1 . SER 5 5 19031 1 . ALA 6 6 19031 1 . ARG 7 7 19031 1 . PRO 8 8 19031 1 . LEU 9 9 19031 1 . ARG 10 10 19031 1 . VAL 11 11 19031 1 . GLY 12 12 19031 1 . SER 13 13 19031 1 . ARG 14 14 19031 1 . VAL 15 15 19031 1 . GLU 16 16 19031 1 . VAL 17 17 19031 1 . ILE 18 18 19031 1 . GLY 19 19 19031 1 . LYS 20 20 19031 1 . GLY 21 21 19031 1 . HIS 22 22 19031 1 . ARG 23 23 19031 1 . GLY 24 24 19031 1 . THR 25 25 19031 1 . VAL 26 26 19031 1 . ALA 27 27 19031 1 . TYR 28 28 19031 1 . VAL 29 29 19031 1 . GLY 30 30 19031 1 . ALA 31 31 19031 1 . THR 32 32 19031 1 . LEU 33 33 19031 1 . PHE 34 34 19031 1 . ALA 35 35 19031 1 . THR 36 36 19031 1 . GLY 37 37 19031 1 . LYS 38 38 19031 1 . TRP 39 39 19031 1 . VAL 40 40 19031 1 . GLY 41 41 19031 1 . VAL 42 42 19031 1 . ILE 43 43 19031 1 . LEU 44 44 19031 1 . ASP 45 45 19031 1 . GLU 46 46 19031 1 . ALA 47 47 19031 1 . LYS 48 48 19031 1 . GLY 49 49 19031 1 . LYS 50 50 19031 1 . ASN 51 51 19031 1 . ASP 52 52 19031 1 . GLY 53 53 19031 1 . THR 54 54 19031 1 . VAL 55 55 19031 1 . GLN 56 56 19031 1 . GLY 57 57 19031 1 . ARG 58 58 19031 1 . LYS 59 59 19031 1 . TYR 60 60 19031 1 . PHE 61 61 19031 1 . THR 62 62 19031 1 . CYS 63 63 19031 1 . ASP 64 64 19031 1 . GLU 65 65 19031 1 . GLY 66 66 19031 1 . HIS 67 67 19031 1 . GLY 68 68 19031 1 . ILE 69 69 19031 1 . PHE 70 70 19031 1 . VAL 71 71 19031 1 . ARG 72 72 19031 1 . GLN 73 73 19031 1 . SER 74 74 19031 1 . GLN 75 75 19031 1 . ILE 76 76 19031 1 . GLN 77 77 19031 1 . VAL 78 78 19031 1 . PHE 79 79 19031 1 . GLU 80 80 19031 1 . ASP 81 81 19031 1 . GLY 82 82 19031 1 . ALA 83 83 19031 1 . ASP 84 84 19031 1 . THR 85 85 19031 1 . THR 86 86 19031 1 . SER 87 87 19031 1 . PRO 88 88 19031 1 . GLU 89 89 19031 1 stop_ save_ save_EB1 _Entity.Sf_category entity _Entity.Sf_framecode EB1 _Entity.Entry_ID 19031 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name EB1 _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 ; AELMQQVNVLKLTVEDLEKE RDFYFGKLRNIELICQENEG ENDPVLQRIVDILYATDEGF VIPDEGGPQEEQEEY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This sequence starts from residue A193, and ends at residue Y268.' _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'The C-terminal domain of end-binding protein (EB1)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8747 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 18371 . EB1_C-terminal_domain . . . . . 100.00 85 100.00 100.00 4.09e-44 . . . . 19031 2 2 no PDB 1TXQ . "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" . . . . . 100.00 86 100.00 100.00 5.40e-44 . . . . 19031 2 3 no PDB 1WU9 . "Crystal Structure Of The C-Terminal Domain Of The End- Binding Protein 1 (Eb1)" . . . . . 100.00 80 100.00 100.00 2.11e-44 . . . . 19031 2 4 no PDB 1YIB . "Crystal Structure Of The Human Eb1 C-terminal Dimerization Domain" . . . . . 82.67 76 100.00 100.00 2.38e-34 . . . . 19031 2 5 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)" . . . . . 100.00 80 100.00 100.00 2.11e-44 . . . . 19031 2 6 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" . . . . . 100.00 80 100.00 100.00 2.11e-44 . . . . 19031 2 7 no PDB 2R8U . "Structure Of Fragment Of Human End-Binding Protein 1 (Eb1) Containing The N-Terminal Domain At 1.35 A Resolution" . . . . . 100.00 268 100.00 100.00 1.60e-43 . . . . 19031 2 8 no PDB 3GJO . "Crystal Structure Of Human Eb1 In Complex With Microtubule Tip Localization Signal Peptide Of Macf" . . . . . 89.33 72 100.00 100.00 9.49e-39 . . . . 19031 2 9 no PDB 3TQ7 . "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" . . . . . 100.00 78 100.00 100.00 2.92e-44 . . . . 19031 2 10 no DBJ BAE32461 . "unnamed protein product [Mus musculus]" . . . . . 100.00 268 98.67 98.67 1.28e-42 . . . . 19031 2 11 no DBJ BAE89438 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 268 100.00 100.00 1.45e-43 . . . . 19031 2 12 no DBJ BAG35484 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 268 100.00 100.00 1.60e-43 . . . . 19031 2 13 no DBJ BAG59745 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 238 100.00 100.00 5.99e-44 . . . . 19031 2 14 no DBJ BAG73401 . "microtubule-associated protein, RP/EB family, member 1 [synthetic construct]" . . . . . 100.00 268 100.00 100.00 1.60e-43 . . . . 19031 2 15 no EMBL CAH92115 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 268 100.00 100.00 1.57e-43 . . . . 19031 2 16 no GB AAA96320 . "APC-binding protein EB1 homolog [Mus musculus]" . . . . . 100.00 268 98.67 98.67 1.28e-42 . . . . 19031 2 17 no GB AAC09471 . "EB1 [Homo sapiens]" . . . . . 100.00 268 100.00 100.00 1.60e-43 . . . . 19031 2 18 no GB AAH52405 . "Mapre1 protein, partial [Mus musculus]" . . . . . 100.00 271 98.67 98.67 1.42e-42 . . . . 19031 2 19 no GB AAH64444 . "Mapre1 protein [Mus musculus]" . . . . . 100.00 268 98.67 98.67 1.28e-42 . . . . 19031 2 20 no GB AAH81726 . "Microtubule-associated protein, RP/EB family, member 1 [Rattus norvegicus]" . . . . . 100.00 268 98.67 98.67 1.31e-42 . . . . 19031 2 21 no REF NP_001038078 . "microtubule-associated protein RP/EB family member 1 [Sus scrofa]" . . . . . 100.00 268 98.67 100.00 8.78e-43 . . . . 19031 2 22 no REF NP_001068802 . "microtubule-associated protein RP/EB family member 1 [Bos taurus]" . . . . . 100.00 268 98.67 100.00 7.09e-43 . . . . 19031 2 23 no REF NP_001126236 . "microtubule-associated protein RP/EB family member 1 [Pongo abelii]" . . . . . 100.00 268 100.00 100.00 1.57e-43 . . . . 19031 2 24 no REF NP_001238875 . "microtubule-associated protein RP/EB family member 1 [Canis lupus familiaris]" . . . . . 100.00 268 98.67 100.00 7.32e-43 . . . . 19031 2 25 no REF NP_001253729 . "microtubule-associated protein RP/EB family member 1 [Macaca mulatta]" . . . . . 100.00 268 100.00 100.00 1.52e-43 . . . . 19031 2 26 no SP Q15691 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 100.00 268 100.00 100.00 1.60e-43 . . . . 19031 2 27 no SP Q3ZBD9 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 100.00 268 98.67 100.00 7.09e-43 . . . . 19031 2 28 no SP Q5R7Z5 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 100.00 268 100.00 100.00 1.57e-43 . . . . 19031 2 29 no SP Q61166 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 100.00 268 98.67 98.67 1.28e-42 . . . . 19031 2 30 no SP Q66HR2 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 100.00 268 98.67 98.67 1.31e-42 . . . . 19031 2 31 no TPG DAA23186 . "TPA: microtubule-associated protein RP/EB family member 1 [Bos taurus]" . . . . . 76.00 270 98.25 100.00 6.44e-29 . . . . 19031 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microtubule plus-end tracking protein' 19031 2 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 1 ALA . 19031 2 2 2 GLU . 19031 2 3 3 LEU . 19031 2 4 4 MET . 19031 2 5 5 GLN . 19031 2 6 6 GLN . 19031 2 7 7 VAL . 19031 2 8 8 ASN . 19031 2 9 9 VAL . 19031 2 10 10 LEU . 19031 2 11 11 LYS . 19031 2 12 12 LEU . 19031 2 13 13 THR . 19031 2 14 14 VAL . 19031 2 15 15 GLU . 19031 2 16 16 ASP . 19031 2 17 17 LEU . 19031 2 18 18 GLU . 19031 2 19 19 LYS . 19031 2 20 20 GLU . 19031 2 21 21 ARG . 19031 2 22 22 ASP . 19031 2 23 23 PHE . 19031 2 24 24 TYR . 19031 2 25 25 PHE . 19031 2 26 26 GLY . 19031 2 27 27 LYS . 19031 2 28 28 LEU . 19031 2 29 29 ARG . 19031 2 30 30 ASN . 19031 2 31 31 ILE . 19031 2 32 32 GLU . 19031 2 33 33 LEU . 19031 2 34 34 ILE . 19031 2 35 35 CYS . 19031 2 36 36 GLN . 19031 2 37 37 GLU . 19031 2 38 38 ASN . 19031 2 39 39 GLU . 19031 2 40 40 GLY . 19031 2 41 41 GLU . 19031 2 42 42 ASN . 19031 2 43 43 ASP . 19031 2 44 44 PRO . 19031 2 45 45 VAL . 19031 2 46 46 LEU . 19031 2 47 47 GLN . 19031 2 48 48 ARG . 19031 2 49 49 ILE . 19031 2 50 50 VAL . 19031 2 51 51 ASP . 19031 2 52 52 ILE . 19031 2 53 53 LEU . 19031 2 54 54 TYR . 19031 2 55 55 ALA . 19031 2 56 56 THR . 19031 2 57 57 ASP . 19031 2 58 58 GLU . 19031 2 59 59 GLY . 19031 2 60 60 PHE . 19031 2 61 61 VAL . 19031 2 62 62 ILE . 19031 2 63 63 PRO . 19031 2 64 64 ASP . 19031 2 65 65 GLU . 19031 2 66 66 GLY . 19031 2 67 67 GLY . 19031 2 68 68 PRO . 19031 2 69 69 GLN . 19031 2 70 70 GLU . 19031 2 71 71 GLU . 19031 2 72 72 GLN . 19031 2 73 73 GLU . 19031 2 74 74 GLU . 19031 2 75 75 TYR . 19031 2 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 . ALA 1 1 19031 2 . GLU 2 2 19031 2 . LEU 3 3 19031 2 . MET 4 4 19031 2 . GLN 5 5 19031 2 . GLN 6 6 19031 2 . VAL 7 7 19031 2 . ASN 8 8 19031 2 . VAL 9 9 19031 2 . LEU 10 10 19031 2 . LYS 11 11 19031 2 . LEU 12 12 19031 2 . THR 13 13 19031 2 . VAL 14 14 19031 2 . GLU 15 15 19031 2 . ASP 16 16 19031 2 . LEU 17 17 19031 2 . GLU 18 18 19031 2 . LYS 19 19 19031 2 . GLU 20 20 19031 2 . ARG 21 21 19031 2 . ASP 22 22 19031 2 . PHE 23 23 19031 2 . TYR 24 24 19031 2 . PHE 25 25 19031 2 . GLY 26 26 19031 2 . LYS 27 27 19031 2 . LEU 28 28 19031 2 . ARG 29 29 19031 2 . ASN 30 30 19031 2 . ILE 31 31 19031 2 . GLU 32 32 19031 2 . LEU 33 33 19031 2 . ILE 34 34 19031 2 . CYS 35 35 19031 2 . GLN 36 36 19031 2 . GLU 37 37 19031 2 . ASN 38 38 19031 2 . GLU 39 39 19031 2 . GLY 40 40 19031 2 . GLU 41 41 19031 2 . ASN 42 42 19031 2 . ASP 43 43 19031 2 . PRO 44 44 19031 2 . VAL 45 45 19031 2 . LEU 46 46 19031 2 . GLN 47 47 19031 2 . ARG 48 48 19031 2 . ILE 49 49 19031 2 . VAL 50 50 19031 2 . ASP 51 51 19031 2 . ILE 52 52 19031 2 . LEU 53 53 19031 2 . TYR 54 54 19031 2 . ALA 55 55 19031 2 . THR 56 56 19031 2 . ASP 57 57 19031 2 . GLU 58 58 19031 2 . GLY 59 59 19031 2 . PHE 60 60 19031 2 . VAL 61 61 19031 2 . ILE 62 62 19031 2 . PRO 63 63 19031 2 . ASP 64 64 19031 2 . GLU 65 65 19031 2 . GLY 66 66 19031 2 . GLY 67 67 19031 2 . PRO 68 68 19031 2 . GLN 69 69 19031 2 . GLU 70 70 19031 2 . GLU 71 71 19031 2 . GLN 72 72 19031 2 . GLU 73 73 19031 2 . GLU 74 74 19031 2 . TYR 75 75 19031 2 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 19031 _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 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19031 1 2 2 $EB1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19031 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 19031 _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 . . . . . . 19031 1 2 2 $EB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b-His6-SMT3 . . . . . . 19031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19031 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'The complex of CAP-Gly/EB1 was precipitated by 50% PEG-3350.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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-13C; U-15N]' . . 1 $CAP-Gly . . 11.8 . . mg . . . . 19031 1 2 EB1 'natural abundance' . . 2 $EB1 . . 10.2 . . mg . . . . 19031 1 3 H2O 'natural abundance' . . . . . . 100 . . % . . . . 19031 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 19031 _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' 90 . mM 19031 1 pH 7.0 . pH 19031 1 pressure 1 . atm 19031 1 temperature 277 . K 19031 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19031 _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' . . 19031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19031 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19031 _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 . . 19031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19031 2 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 19031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 19031 _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 Bruker Ascend . 850 . . . 19031 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 19031 _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 '2D DARR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19031 1 2 '2D NCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19031 1 3 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19031 1 4 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19031 1 5 '3D CANCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19031 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 19031 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19031 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19031 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 19031 _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 . _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 DARR' . . . 19031 1 2 '2D NCA' . . . 19031 1 3 '3D NCACX' . . . 19031 1 4 '3D NCOCX' . . . 19031 1 5 '3D CANCX' . . . 19031 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 11 11 VAL C C 13 177.00 0.20 . 1 . . . . 29 VAL C . 19031 1 2 . 1 1 11 11 VAL CA C 13 65.67 0.20 . 1 . . . . 29 VAL CA . 19031 1 3 . 1 1 11 11 VAL CB C 13 31.57 0.20 . 1 . . . . 29 VAL CB . 19031 1 4 . 1 1 11 11 VAL CG1 C 13 22.66 0.20 . 2 . . . . 29 VAL CG1 . 19031 1 5 . 1 1 11 11 VAL CG2 C 13 20.74 0.20 . 2 . . . . 29 VAL CG2 . 19031 1 6 . 1 1 11 11 VAL N N 15 121.54 0.20 . 1 . . . . 29 VAL N . 19031 1 7 . 1 1 12 12 GLY C C 13 174.26 0.20 . 1 . . . . 30 GLY C . 19031 1 8 . 1 1 12 12 GLY CA C 13 45.31 0.20 . 1 . . . . 30 GLY CA . 19031 1 9 . 1 1 12 12 GLY N N 15 115.29 0.20 . 1 . . . . 30 GLY N . 19031 1 10 . 1 1 13 13 SER C C 13 173.35 0.20 . 1 . . . . 31 SER C . 19031 1 11 . 1 1 13 13 SER CA C 13 61.27 0.20 . 1 . . . . 31 SER CA . 19031 1 12 . 1 1 13 13 SER CB C 13 63.97 0.20 . 1 . . . . 31 SER CB . 19031 1 13 . 1 1 13 13 SER N N 15 117.56 0.20 . 1 . . . . 31 SER N . 19031 1 14 . 1 1 14 14 ARG C C 13 176.68 0.20 . 1 . . . . 32 ARG C . 19031 1 15 . 1 1 14 14 ARG CA C 13 52.97 0.20 . 1 . . . . 32 ARG CA . 19031 1 16 . 1 1 14 14 ARG CB C 13 28.81 0.20 . 1 . . . . 32 ARG CB . 19031 1 17 . 1 1 14 14 ARG CG C 13 25.09 0.20 . 1 . . . . 32 ARG CG . 19031 1 18 . 1 1 14 14 ARG CD C 13 40.86 0.20 . 1 . . . . 32 ARG CD . 19031 1 19 . 1 1 14 14 ARG N N 15 124.91 0.20 . 1 . . . . 32 ARG N . 19031 1 20 . 1 1 15 15 VAL C C 13 174.32 0.20 . 1 . . . . 33 VAL C . 19031 1 21 . 1 1 15 15 VAL CA C 13 58.13 0.20 . 1 . . . . 33 VAL CA . 19031 1 22 . 1 1 15 15 VAL CB C 13 37.68 0.20 . 1 . . . . 33 VAL CB . 19031 1 23 . 1 1 15 15 VAL CG1 C 13 23.39 0.20 . 2 . . . . 33 VAL CG1 . 19031 1 24 . 1 1 15 15 VAL CG2 C 13 17.95 0.20 . 2 . . . . 33 VAL CG2 . 19031 1 25 . 1 1 15 15 VAL N N 15 113.02 0.20 . 1 . . . . 33 VAL N . 19031 1 26 . 1 1 16 16 GLU CA C 13 54.01 0.20 . 1 . . . . 34 GLU CA . 19031 1 27 . 1 1 16 16 GLU N N 15 118.16 0.20 . 1 . . . . 34 GLU N . 19031 1 28 . 1 1 17 17 VAL C C 13 176.76 0.20 . 1 . . . . 35 VAL C . 19031 1 29 . 1 1 17 17 VAL CA C 13 62.79 0.20 . 1 . . . . 35 VAL CA . 19031 1 30 . 1 1 17 17 VAL CB C 13 32.49 0.20 . 1 . . . . 35 VAL CB . 19031 1 31 . 1 1 17 17 VAL CG1 C 13 21.97 0.20 . 2 . . . . 35 VAL CG1 . 19031 1 32 . 1 1 17 17 VAL CG2 C 13 21.13 0.20 . 2 . . . . 35 VAL CG2 . 19031 1 33 . 1 1 17 17 VAL N N 15 124.44 0.20 . 1 . . . . 35 VAL N . 19031 1 34 . 1 1 18 18 ILE C C 13 177.55 0.20 . 1 . . . . 36 ILE C . 19031 1 35 . 1 1 18 18 ILE CA C 13 63.97 0.20 . 1 . . . . 36 ILE CA . 19031 1 36 . 1 1 18 18 ILE CB C 13 38.47 0.20 . 1 . . . . 36 ILE CB . 19031 1 37 . 1 1 18 18 ILE CG1 C 13 28.94 0.20 . 1 . . . . 36 ILE CG1 . 19031 1 38 . 1 1 18 18 ILE CG2 C 13 17.23 0.20 . 1 . . . . 36 ILE CG2 . 19031 1 39 . 1 1 18 18 ILE CD1 C 13 13.91 0.20 . 1 . . . . 36 ILE CD1 . 19031 1 40 . 1 1 18 18 ILE N N 15 131.85 0.20 . 1 . . . . 36 ILE N . 19031 1 41 . 1 1 19 19 GLY N N 15 118.07 0.20 . 1 . . . . 37 GLY N . 19031 1 42 . 1 1 21 21 GLY C C 13 173.87 0.20 . 1 . . . . 39 GLY C . 19031 1 43 . 1 1 21 21 GLY CA C 13 46.39 0.20 . 1 . . . . 39 GLY CA . 19031 1 44 . 1 1 21 21 GLY N N 15 104.59 0.20 . 1 . . . . 39 GLY N . 19031 1 45 . 1 1 22 22 HIS C C 13 175.63 0.20 . 1 . . . . 40 HIS C . 19031 1 46 . 1 1 22 22 HIS CA C 13 55.58 0.20 . 1 . . . . 40 HIS CA . 19031 1 47 . 1 1 22 22 HIS CB C 13 31.58 0.20 . 1 . . . . 40 HIS CB . 19031 1 48 . 1 1 22 22 HIS N N 15 116.89 0.20 . 1 . . . . 40 HIS N . 19031 1 49 . 1 1 23 23 ARG C C 13 178.16 0.20 . 1 . . . . 41 ARG C . 19031 1 50 . 1 1 23 23 ARG CA C 13 55.47 0.20 . 1 . . . . 41 ARG CA . 19031 1 51 . 1 1 23 23 ARG CB C 13 32.46 0.20 . 1 . . . . 41 ARG CB . 19031 1 52 . 1 1 23 23 ARG CG C 13 29.01 0.20 . 1 . . . . 41 ARG CG . 19031 1 53 . 1 1 23 23 ARG CD C 13 43.96 0.20 . 1 . . . . 41 ARG CD . 19031 1 54 . 1 1 23 23 ARG N N 15 123.03 0.20 . 1 . . . . 41 ARG N . 19031 1 55 . 1 1 24 24 GLY C C 13 170.84 0.20 . 1 . . . . 42 GLY C . 19031 1 56 . 1 1 24 24 GLY CA C 13 47.34 0.20 . 1 . . . . 42 GLY CA . 19031 1 57 . 1 1 24 24 GLY N N 15 107.30 0.20 . 1 . . . . 42 GLY N . 19031 1 58 . 1 1 25 25 THR C C 13 174.39 0.20 . 1 . . . . 43 THR C . 19031 1 59 . 1 1 25 25 THR CA C 13 61.04 0.20 . 1 . . . . 43 THR CA . 19031 1 60 . 1 1 25 25 THR CB C 13 71.95 0.20 . 1 . . . . 43 THR CB . 19031 1 61 . 1 1 25 25 THR CG2 C 13 22.18 0.20 . 1 . . . . 43 THR CG2 . 19031 1 62 . 1 1 25 25 THR N N 15 117.53 0.20 . 1 . . . . 43 THR N . 19031 1 63 . 1 1 26 26 VAL C C 13 174.48 0.20 . 1 . . . . 44 VAL C . 19031 1 64 . 1 1 26 26 VAL CA C 13 65.46 0.20 . 1 . . . . 44 VAL CA . 19031 1 65 . 1 1 26 26 VAL CB C 13 31.61 0.20 . 1 . . . . 44 VAL CB . 19031 1 66 . 1 1 26 26 VAL CG1 C 13 24.56 0.20 . 2 . . . . 44 VAL CG1 . 19031 1 67 . 1 1 26 26 VAL CG2 C 13 22.72 0.20 . 2 . . . . 44 VAL CG2 . 19031 1 68 . 1 1 26 26 VAL N N 15 128.15 0.20 . 1 . . . . 44 VAL N . 19031 1 69 . 1 1 27 27 ALA C C 13 176.62 0.20 . 1 . . . . 45 ALA C . 19031 1 70 . 1 1 27 27 ALA CA C 13 51.32 0.20 . 1 . . . . 45 ALA CA . 19031 1 71 . 1 1 27 27 ALA CB C 13 22.42 0.20 . 1 . . . . 45 ALA CB . 19031 1 72 . 1 1 27 27 ALA N N 15 130.49 0.20 . 1 . . . . 45 ALA N . 19031 1 73 . 1 1 28 28 TYR C C 13 173.39 0.20 . 1 . . . . 46 TYR C . 19031 1 74 . 1 1 28 28 TYR CA C 13 58.28 0.20 . 1 . . . . 46 TYR CA . 19031 1 75 . 1 1 28 28 TYR CB C 13 43.35 0.20 . 1 . . . . 46 TYR CB . 19031 1 76 . 1 1 28 28 TYR N N 15 119.76 0.20 . 1 . . . . 46 TYR N . 19031 1 77 . 1 1 29 29 VAL C C 13 175.53 0.20 . 1 . . . . 47 VAL C . 19031 1 78 . 1 1 29 29 VAL CA C 13 61.95 0.20 . 1 . . . . 47 VAL CA . 19031 1 79 . 1 1 29 29 VAL CB C 13 35.31 0.20 . 1 . . . . 47 VAL CB . 19031 1 80 . 1 1 29 29 VAL CG1 C 13 21.77 0.20 . 2 . . . . 47 VAL CG1 . 19031 1 81 . 1 1 29 29 VAL N N 15 129.88 0.20 . 1 . . . . 47 VAL N . 19031 1 82 . 1 1 30 30 GLY C C 13 173.37 0.20 . 1 . . . . 48 GLY C . 19031 1 83 . 1 1 30 30 GLY CA C 13 45.58 0.20 . 1 . . . . 48 GLY CA . 19031 1 84 . 1 1 30 30 GLY N N 15 114.87 0.20 . 1 . . . . 48 GLY N . 19031 1 85 . 1 1 31 31 ALA C C 13 178.47 0.20 . 1 . . . . 49 ALA C . 19031 1 86 . 1 1 31 31 ALA CA C 13 52.35 0.20 . 1 . . . . 49 ALA CA . 19031 1 87 . 1 1 31 31 ALA CB C 13 19.99 0.20 . 1 . . . . 49 ALA CB . 19031 1 88 . 1 1 31 31 ALA N N 15 127.08 0.20 . 1 . . . . 49 ALA N . 19031 1 89 . 1 1 32 32 THR C C 13 171.95 0.20 . 1 . . . . 50 THR C . 19031 1 90 . 1 1 32 32 THR CA C 13 59.87 0.20 . 1 . . . . 50 THR CA . 19031 1 91 . 1 1 32 32 THR CB C 13 72.37 0.20 . 1 . . . . 50 THR CB . 19031 1 92 . 1 1 32 32 THR CG2 C 13 22.05 0.20 . 1 . . . . 50 THR CG2 . 19031 1 93 . 1 1 32 32 THR N N 15 113.08 0.20 . 1 . . . . 50 THR N . 19031 1 94 . 1 1 33 33 LEU C C 13 178.76 0.20 . 1 . . . . 51 LEU C . 19031 1 95 . 1 1 33 33 LEU CA C 13 55.10 0.20 . 1 . . . . 51 LEU CA . 19031 1 96 . 1 1 33 33 LEU CB C 13 43.56 0.20 . 1 . . . . 51 LEU CB . 19031 1 97 . 1 1 33 33 LEU CG C 13 27.37 0.20 . 1 . . . . 51 LEU CG . 19031 1 98 . 1 1 33 33 LEU CD1 C 13 26.78 0.20 . 1 . . . . 51 LEU CD1 . 19031 1 99 . 1 1 33 33 LEU CD2 C 13 24.69 0.20 . 1 . . . . 51 LEU CD2 . 19031 1 100 . 1 1 33 33 LEU N N 15 111.60 0.20 . 1 . . . . 51 LEU N . 19031 1 101 . 1 1 34 34 PHE C C 13 174.33 0.20 . 1 . . . . 52 PHE C . 19031 1 102 . 1 1 34 34 PHE CA C 13 57.02 0.20 . 1 . . . . 52 PHE CA . 19031 1 103 . 1 1 34 34 PHE CB C 13 38.19 0.20 . 1 . . . . 52 PHE CB . 19031 1 104 . 1 1 34 34 PHE N N 15 111.31 0.20 . 1 . . . . 52 PHE N . 19031 1 105 . 1 1 35 35 ALA C C 13 176.54 0.20 . 1 . . . . 53 ALA C . 19031 1 106 . 1 1 35 35 ALA CA C 13 52.03 0.20 . 1 . . . . 53 ALA CA . 19031 1 107 . 1 1 35 35 ALA CB C 13 22.03 0.20 . 1 . . . . 53 ALA CB . 19031 1 108 . 1 1 35 35 ALA N N 15 122.57 0.20 . 1 . . . . 53 ALA N . 19031 1 109 . 1 1 36 36 THR C C 13 177.03 0.20 . 1 . . . . 54 THR C . 19031 1 110 . 1 1 36 36 THR CA C 13 62.13 0.20 . 1 . . . . 54 THR CA . 19031 1 111 . 1 1 36 36 THR CB C 13 71.83 0.20 . 1 . . . . 54 THR CB . 19031 1 112 . 1 1 36 36 THR CG2 C 13 22.69 0.20 . 1 . . . . 54 THR CG2 . 19031 1 113 . 1 1 36 36 THR N N 15 108.75 0.20 . 1 . . . . 54 THR N . 19031 1 114 . 1 1 37 37 GLY C C 13 171.87 0.20 . 1 . . . . 55 GLY C . 19031 1 115 . 1 1 37 37 GLY CA C 13 45.32 0.20 . 1 . . . . 55 GLY CA . 19031 1 116 . 1 1 37 37 GLY N N 15 108.57 0.20 . 1 . . . . 55 GLY N . 19031 1 117 . 1 1 38 38 LYS C C 13 176.09 0.20 . 1 . . . . 56 LYS C . 19031 1 118 . 1 1 38 38 LYS CA C 13 57.29 0.20 . 1 . . . . 56 LYS CA . 19031 1 119 . 1 1 38 38 LYS CB C 13 33.34 0.20 . 1 . . . . 56 LYS CB . 19031 1 120 . 1 1 38 38 LYS CG C 13 25.71 0.20 . 1 . . . . 56 LYS CG . 19031 1 121 . 1 1 38 38 LYS CD C 13 29.77 0.20 . 1 . . . . 56 LYS CD . 19031 1 122 . 1 1 38 38 LYS CE C 13 42.33 0.20 . 1 . . . . 56 LYS CE . 19031 1 123 . 1 1 38 38 LYS N N 15 121.29 0.20 . 1 . . . . 56 LYS N . 19031 1 124 . 1 1 39 39 TRP C C 13 174.11 0.20 . 1 . . . . 57 TRP C . 19031 1 125 . 1 1 39 39 TRP CA C 13 57.05 0.20 . 1 . . . . 57 TRP CA . 19031 1 126 . 1 1 39 39 TRP CB C 13 34.04 0.20 . 1 . . . . 57 TRP CB . 19031 1 127 . 1 1 39 39 TRP CD2 C 13 127.18 0.20 . 1 . . . . 57 TRP CD2 . 19031 1 128 . 1 1 39 39 TRP N N 15 130.68 0.20 . 1 . . . . 57 TRP N . 19031 1 129 . 1 1 40 40 VAL C C 13 176.22 0.20 . 1 . . . . 58 VAL C . 19031 1 130 . 1 1 40 40 VAL CA C 13 61.45 0.20 . 1 . . . . 58 VAL CA . 19031 1 131 . 1 1 40 40 VAL CB C 13 33.50 0.20 . 1 . . . . 58 VAL CB . 19031 1 132 . 1 1 40 40 VAL CG1 C 13 23.18 0.20 . 2 . . . . 58 VAL CG1 . 19031 1 133 . 1 1 40 40 VAL CG2 C 13 20.80 0.20 . 2 . . . . 58 VAL CG2 . 19031 1 134 . 1 1 40 40 VAL N N 15 119.58 0.20 . 1 . . . . 58 VAL N . 19031 1 135 . 1 1 41 41 GLY C C 13 172.59 0.20 . 1 . . . . 59 GLY C . 19031 1 136 . 1 1 41 41 GLY CA C 13 45.49 0.20 . 1 . . . . 59 GLY CA . 19031 1 137 . 1 1 41 41 GLY N N 15 115.40 0.20 . 1 . . . . 59 GLY N . 19031 1 138 . 1 1 42 42 VAL C C 13 174.16 0.20 . 1 . . . . 60 VAL C . 19031 1 139 . 1 1 42 42 VAL CA C 13 60.72 0.20 . 1 . . . . 60 VAL CA . 19031 1 140 . 1 1 42 42 VAL CB C 13 35.42 0.20 . 1 . . . . 60 VAL CB . 19031 1 141 . 1 1 42 42 VAL CG1 C 13 22.23 0.20 . 2 . . . . 60 VAL CG1 . 19031 1 142 . 1 1 42 42 VAL N N 15 128.07 0.20 . 1 . . . . 60 VAL N . 19031 1 143 . 1 1 43 43 ILE C C 13 177.45 0.20 . 1 . . . . 61 ILE C . 19031 1 144 . 1 1 43 43 ILE CA C 13 60.73 0.20 . 1 . . . . 61 ILE CA . 19031 1 145 . 1 1 43 43 ILE CB C 13 39.01 0.20 . 1 . . . . 61 ILE CB . 19031 1 146 . 1 1 43 43 ILE CG1 C 13 28.73 0.20 . 1 . . . . 61 ILE CG1 . 19031 1 147 . 1 1 43 43 ILE CG2 C 13 18.00 0.20 . 1 . . . . 61 ILE CG2 . 19031 1 148 . 1 1 43 43 ILE CD1 C 13 14.86 0.20 . 1 . . . . 61 ILE CD1 . 19031 1 149 . 1 1 43 43 ILE N N 15 124.04 0.20 . 1 . . . . 61 ILE N . 19031 1 150 . 1 1 44 44 LEU C C 13 178.08 0.20 . 1 . . . . 62 LEU C . 19031 1 151 . 1 1 44 44 LEU CA C 13 55.38 0.20 . 1 . . . . 62 LEU CA . 19031 1 152 . 1 1 44 44 LEU CB C 13 41.73 0.20 . 1 . . . . 62 LEU CB . 19031 1 153 . 1 1 44 44 LEU CG C 13 27.04 0.20 . 1 . . . . 62 LEU CG . 19031 1 154 . 1 1 44 44 LEU CD1 C 13 22.42 0.20 . 2 . . . . 62 LEU CD1 . 19031 1 155 . 1 1 44 44 LEU N N 15 133.72 0.20 . 1 . . . . 62 LEU N . 19031 1 156 . 1 1 45 45 ASP C C 13 177.86 0.20 . 1 . . . . 63 ASP C . 19031 1 157 . 1 1 45 45 ASP CA C 13 57.36 0.20 . 1 . . . . 63 ASP CA . 19031 1 158 . 1 1 45 45 ASP CB C 13 39.93 0.20 . 1 . . . . 63 ASP CB . 19031 1 159 . 1 1 45 45 ASP CG C 13 179.84 0.20 . 1 . . . . 63 ASP CG . 19031 1 160 . 1 1 45 45 ASP N N 15 125.41 0.20 . 1 . . . . 63 ASP N . 19031 1 161 . 1 1 46 46 GLU C C 13 176.97 0.20 . 1 . . . . 64 GLU C . 19031 1 162 . 1 1 46 46 GLU CA C 13 54.41 0.20 . 1 . . . . 64 GLU CA . 19031 1 163 . 1 1 46 46 GLU CB C 13 33.40 0.20 . 1 . . . . 64 GLU CB . 19031 1 164 . 1 1 46 46 GLU CG C 13 37.56 0.20 . 1 . . . . 64 GLU CG . 19031 1 165 . 1 1 46 46 GLU CD C 13 184.41 0.20 . 1 . . . . 64 GLU CD . 19031 1 166 . 1 1 46 46 GLU N N 15 117.84 0.20 . 1 . . . . 64 GLU N . 19031 1 167 . 1 1 47 47 ALA C C 13 178.06 0.20 . 1 . . . . 65 ALA C . 19031 1 168 . 1 1 47 47 ALA CA C 13 50.99 0.20 . 1 . . . . 65 ALA CA . 19031 1 169 . 1 1 47 47 ALA CB C 13 15.69 0.20 . 1 . . . . 65 ALA CB . 19031 1 170 . 1 1 47 47 ALA N N 15 124.98 0.20 . 1 . . . . 65 ALA N . 19031 1 171 . 1 1 48 48 LYS C C 13 176.44 0.20 . 1 . . . . 66 LYS C . 19031 1 172 . 1 1 48 48 LYS CA C 13 53.51 0.20 . 1 . . . . 66 LYS CA . 19031 1 173 . 1 1 48 48 LYS CB C 13 33.17 0.20 . 1 . . . . 66 LYS CB . 19031 1 174 . 1 1 48 48 LYS CG C 13 25.24 0.20 . 1 . . . . 66 LYS CG . 19031 1 175 . 1 1 48 48 LYS CD C 13 28.52 0.20 . 1 . . . . 66 LYS CD . 19031 1 176 . 1 1 48 48 LYS CE C 13 42.52 0.20 . 1 . . . . 66 LYS CE . 19031 1 177 . 1 1 48 48 LYS N N 15 122.69 0.20 . 1 . . . . 66 LYS N . 19031 1 178 . 1 1 49 49 GLY C C 13 173.13 0.20 . 1 . . . . 67 GLY C . 19031 1 179 . 1 1 49 49 GLY CA C 13 44.06 0.20 . 1 . . . . 67 GLY CA . 19031 1 180 . 1 1 49 49 GLY N N 15 109.39 0.20 . 1 . . . . 67 GLY N . 19031 1 181 . 1 1 50 50 LYS C C 13 175.98 0.20 . 1 . . . . 68 LYS C . 19031 1 182 . 1 1 50 50 LYS CA C 13 56.83 0.20 . 1 . . . . 68 LYS CA . 19031 1 183 . 1 1 50 50 LYS CB C 13 36.84 0.20 . 1 . . . . 68 LYS CB . 19031 1 184 . 1 1 50 50 LYS CG C 13 25.46 0.20 . 1 . . . . 68 LYS CG . 19031 1 185 . 1 1 50 50 LYS CD C 13 29.00 0.20 . 1 . . . . 68 LYS CD . 19031 1 186 . 1 1 50 50 LYS CE C 13 41.94 0.20 . 1 . . . . 68 LYS CE . 19031 1 187 . 1 1 50 50 LYS N N 15 117.18 0.20 . 1 . . . . 68 LYS N . 19031 1 188 . 1 1 51 51 ASN C C 13 173.21 0.20 . 1 . . . . 69 ASN C . 19031 1 189 . 1 1 51 51 ASN CA C 13 54.05 0.20 . 1 . . . . 69 ASN CA . 19031 1 190 . 1 1 51 51 ASN CB C 13 40.99 0.20 . 1 . . . . 69 ASN CB . 19031 1 191 . 1 1 51 51 ASN CG C 13 175.52 0.20 . 1 . . . . 69 ASN CG . 19031 1 192 . 1 1 51 51 ASN N N 15 117.98 0.20 . 1 . . . . 69 ASN N . 19031 1 193 . 1 1 52 52 ASP C C 13 178.65 0.20 . 1 . . . . 70 ASP C . 19031 1 194 . 1 1 52 52 ASP CA C 13 52.90 0.20 . 1 . . . . 70 ASP CA . 19031 1 195 . 1 1 52 52 ASP CB C 13 40.83 0.20 . 1 . . . . 70 ASP CB . 19031 1 196 . 1 1 52 52 ASP CG C 13 182.07 0.20 . 1 . . . . 70 ASP CG . 19031 1 197 . 1 1 52 52 ASP N N 15 119.49 0.20 . 1 . . . . 70 ASP N . 19031 1 198 . 1 1 53 53 GLY C C 13 174.63 0.20 . 1 . . . . 71 GLY C . 19031 1 199 . 1 1 53 53 GLY CA C 13 44.24 0.20 . 1 . . . . 71 GLY CA . 19031 1 200 . 1 1 53 53 GLY N N 15 112.62 0.20 . 1 . . . . 71 GLY N . 19031 1 201 . 1 1 54 54 THR C C 13 174.68 0.20 . 1 . . . . 72 THR C . 19031 1 202 . 1 1 54 54 THR CA C 13 61.49 0.20 . 1 . . . . 72 THR CA . 19031 1 203 . 1 1 54 54 THR CB C 13 69.23 0.20 . 1 . . . . 72 THR CB . 19031 1 204 . 1 1 54 54 THR CG2 C 13 19.94 0.20 . 1 . . . . 72 THR CG2 . 19031 1 205 . 1 1 54 54 THR N N 15 117.98 0.20 . 1 . . . . 72 THR N . 19031 1 206 . 1 1 55 55 VAL C C 13 176.72 0.20 . 1 . . . . 73 VAL C . 19031 1 207 . 1 1 55 55 VAL CA C 13 61.61 0.20 . 1 . . . . 73 VAL CA . 19031 1 208 . 1 1 55 55 VAL CB C 13 36.51 0.20 . 1 . . . . 73 VAL CB . 19031 1 209 . 1 1 55 55 VAL CG1 C 13 22.44 0.20 . 2 . . . . 73 VAL CG1 . 19031 1 210 . 1 1 55 55 VAL CG2 C 13 21.67 0.20 . 2 . . . . 73 VAL CG2 . 19031 1 211 . 1 1 55 55 VAL N N 15 123.47 0.20 . 1 . . . . 73 VAL N . 19031 1 212 . 1 1 56 56 GLN C C 13 176.09 0.20 . 1 . . . . 74 GLN C . 19031 1 213 . 1 1 56 56 GLN CA C 13 56.83 0.20 . 1 . . . . 74 GLN CA . 19031 1 214 . 1 1 56 56 GLN CB C 13 26.68 0.20 . 1 . . . . 74 GLN CB . 19031 1 215 . 1 1 56 56 GLN CG C 13 34.11 0.20 . 1 . . . . 74 GLN CG . 19031 1 216 . 1 1 56 56 GLN CD C 13 180.72 0.20 . 1 . . . . 74 GLN CD . 19031 1 217 . 1 1 56 56 GLN N N 15 130.01 0.20 . 1 . . . . 74 GLN N . 19031 1 218 . 1 1 57 57 GLY C C 13 173.55 0.20 . 1 . . . . 75 GLY C . 19031 1 219 . 1 1 57 57 GLY CA C 13 45.56 0.20 . 1 . . . . 75 GLY CA . 19031 1 220 . 1 1 57 57 GLY N N 15 103.65 0.20 . 1 . . . . 75 GLY N . 19031 1 221 . 1 1 58 58 ARG C C 13 172.58 0.20 . 1 . . . . 76 ARG C . 19031 1 222 . 1 1 58 58 ARG CA C 13 54.56 0.20 . 1 . . . . 76 ARG CA . 19031 1 223 . 1 1 58 58 ARG CB C 13 31.41 0.20 . 1 . . . . 76 ARG CB . 19031 1 224 . 1 1 58 58 ARG CG C 13 28.62 0.20 . 1 . . . . 76 ARG CG . 19031 1 225 . 1 1 58 58 ARG CD C 13 42.90 0.20 . 1 . . . . 76 ARG CD . 19031 1 226 . 1 1 58 58 ARG N N 15 122.12 0.20 . 1 . . . . 76 ARG N . 19031 1 227 . 1 1 59 59 LYS C C 13 175.81 0.20 . 1 . . . . 77 LYS C . 19031 1 228 . 1 1 59 59 LYS CA C 13 56.35 0.20 . 1 . . . . 77 LYS CA . 19031 1 229 . 1 1 59 59 LYS CB C 13 32.23 0.20 . 1 . . . . 77 LYS CB . 19031 1 230 . 1 1 59 59 LYS CG C 13 24.49 0.20 . 1 . . . . 77 LYS CG . 19031 1 231 . 1 1 59 59 LYS CD C 13 29.40 0.20 . 1 . . . . 77 LYS CD . 19031 1 232 . 1 1 59 59 LYS CE C 13 41.62 0.20 . 1 . . . . 77 LYS CE . 19031 1 233 . 1 1 59 59 LYS N N 15 128.35 0.20 . 1 . . . . 77 LYS N . 19031 1 234 . 1 1 60 60 TYR C C 13 175.72 0.20 . 1 . . . . 78 TYR C . 19031 1 235 . 1 1 60 60 TYR CA C 13 61.21 0.20 . 1 . . . . 78 TYR CA . 19031 1 236 . 1 1 60 60 TYR CB C 13 39.65 0.20 . 1 . . . . 78 TYR CB . 19031 1 237 . 1 1 60 60 TYR CG C 13 130.83 0.20 . 1 . . . . 78 TYR CG . 19031 1 238 . 1 1 60 60 TYR CD1 C 13 133.78 0.20 . 2 . . . . 78 TYR CD1 . 19031 1 239 . 1 1 60 60 TYR CE1 C 13 117.50 0.20 . 2 . . . . 78 TYR CE . 19031 1 240 . 1 1 60 60 TYR CE2 C 13 117.50 0.20 . 2 . . . . 78 TYR CE . 19031 1 241 . 1 1 60 60 TYR N N 15 128.97 0.20 . 1 . . . . 78 TYR N . 19031 1 242 . 1 1 61 61 PHE C C 13 172.78 0.20 . 1 . . . . 79 PHE C . 19031 1 243 . 1 1 61 61 PHE CA C 13 56.04 0.20 . 1 . . . . 79 PHE CA . 19031 1 244 . 1 1 61 61 PHE CB C 13 38.94 0.20 . 1 . . . . 79 PHE CB . 19031 1 245 . 1 1 61 61 PHE CG C 13 138.16 0.20 . 1 . . . . 79 PHE CG . 19031 1 246 . 1 1 61 61 PHE CD1 C 13 131.13 0.20 . 2 . . . . 79 PHE CD1 . 19031 1 247 . 1 1 61 61 PHE N N 15 114.12 0.20 . 1 . . . . 79 PHE N . 19031 1 248 . 1 1 62 62 THR C C 13 172.97 0.20 . 1 . . . . 80 THR C . 19031 1 249 . 1 1 62 62 THR CA C 13 63.06 0.20 . 1 . . . . 80 THR CA . 19031 1 250 . 1 1 62 62 THR CB C 13 71.09 0.20 . 1 . . . . 80 THR CB . 19031 1 251 . 1 1 62 62 THR CG2 C 13 21.69 0.20 . 1 . . . . 80 THR CG2 . 19031 1 252 . 1 1 62 62 THR N N 15 115.63 0.20 . 1 . . . . 80 THR N . 19031 1 253 . 1 1 63 63 CYS C C 13 172.03 0.20 . 1 . . . . 81 CYS C . 19031 1 254 . 1 1 63 63 CYS CA C 13 56.27 0.20 . 1 . . . . 81 CYS CA . 19031 1 255 . 1 1 63 63 CYS CB C 13 31.93 0.20 . 1 . . . . 81 CYS CB . 19031 1 256 . 1 1 63 63 CYS N N 15 121.30 0.20 . 1 . . . . 81 CYS N . 19031 1 257 . 1 1 64 64 ASP C C 13 176.88 0.20 . 1 . . . . 82 ASP C . 19031 1 258 . 1 1 64 64 ASP CA C 13 54.53 0.20 . 1 . . . . 82 ASP CA . 19031 1 259 . 1 1 64 64 ASP CB C 13 41.40 0.20 . 1 . . . . 82 ASP CB . 19031 1 260 . 1 1 64 64 ASP CG C 13 180.15 0.20 . 1 . . . . 82 ASP CG . 19031 1 261 . 1 1 64 64 ASP N N 15 118.32 0.20 . 1 . . . . 82 ASP N . 19031 1 262 . 1 1 65 65 GLU C C 13 177.90 0.20 . 1 . . . . 83 GLU C . 19031 1 263 . 1 1 65 65 GLU CA C 13 58.61 0.20 . 1 . . . . 83 GLU CA . 19031 1 264 . 1 1 65 65 GLU CB C 13 29.97 0.20 . 1 . . . . 83 GLU CB . 19031 1 265 . 1 1 65 65 GLU CG C 13 36.03 0.20 . 1 . . . . 83 GLU CG . 19031 1 266 . 1 1 65 65 GLU N N 15 121.20 0.20 . 1 . . . . 83 GLU N . 19031 1 267 . 1 1 66 66 GLY C C 13 174.47 0.20 . 1 . . . . 84 GLY C . 19031 1 268 . 1 1 66 66 GLY CA C 13 45.42 0.20 . 1 . . . . 84 GLY CA . 19031 1 269 . 1 1 66 66 GLY N N 15 112.95 0.20 . 1 . . . . 84 GLY N . 19031 1 270 . 1 1 67 67 HIS C C 13 173.99 0.20 . 1 . . . . 85 HIS C . 19031 1 271 . 1 1 67 67 HIS CA C 13 56.71 0.20 . 1 . . . . 85 HIS CA . 19031 1 272 . 1 1 67 67 HIS CB C 13 29.17 0.20 . 1 . . . . 85 HIS CB . 19031 1 273 . 1 1 67 67 HIS CG C 13 132.17 0.20 . 1 . . . . 85 HIS CG . 19031 1 274 . 1 1 67 67 HIS CD2 C 13 121.95 0.20 . 1 . . . . 85 HIS CD2 . 19031 1 275 . 1 1 67 67 HIS N N 15 114.46 0.20 . 1 . . . . 85 HIS N . 19031 1 276 . 1 1 68 68 GLY C C 13 174.50 0.20 . 1 . . . . 86 GLY C . 19031 1 277 . 1 1 68 68 GLY CA C 13 45.11 0.20 . 1 . . . . 86 GLY CA . 19031 1 278 . 1 1 68 68 GLY N N 15 112.45 0.20 . 1 . . . . 86 GLY N . 19031 1 279 . 1 1 69 69 ILE C C 13 171.25 0.20 . 1 . . . . 87 ILE C . 19031 1 280 . 1 1 69 69 ILE CA C 13 60.96 0.20 . 1 . . . . 87 ILE CA . 19031 1 281 . 1 1 69 69 ILE CB C 13 43.93 0.20 . 1 . . . . 87 ILE CB . 19031 1 282 . 1 1 69 69 ILE CG1 C 13 28.84 0.20 . 1 . . . . 87 ILE CG1 . 19031 1 283 . 1 1 69 69 ILE CG2 C 13 15.94 0.20 . 1 . . . . 87 ILE CG2 . 19031 1 284 . 1 1 69 69 ILE CD1 C 13 14.72 0.20 . 1 . . . . 87 ILE CD1 . 19031 1 285 . 1 1 69 69 ILE N N 15 121.61 0.20 . 1 . . . . 87 ILE N . 19031 1 286 . 1 1 70 70 PHE C C 13 175.55 0.20 . 1 . . . . 88 PHE C . 19031 1 287 . 1 1 70 70 PHE CA C 13 57.44 0.20 . 1 . . . . 88 PHE CA . 19031 1 288 . 1 1 70 70 PHE CB C 13 42.52 0.20 . 1 . . . . 88 PHE CB . 19031 1 289 . 1 1 70 70 PHE N N 15 126.83 0.20 . 1 . . . . 88 PHE N . 19031 1 290 . 1 1 71 71 VAL C C 13 175.92 0.20 . 1 . . . . 89 VAL C . 19031 1 291 . 1 1 71 71 VAL CA C 13 58.85 0.20 . 1 . . . . 89 VAL CA . 19031 1 292 . 1 1 71 71 VAL CB C 13 37.05 0.20 . 1 . . . . 89 VAL CB . 19031 1 293 . 1 1 71 71 VAL CG1 C 13 23.51 0.20 . 2 . . . . 89 VAL CG1 . 19031 1 294 . 1 1 71 71 VAL CG2 C 13 18.74 0.20 . 2 . . . . 89 VAL CG2 . 19031 1 295 . 1 1 71 71 VAL N N 15 112.15 0.20 . 1 . . . . 89 VAL N . 19031 1 296 . 1 1 72 72 ARG C C 13 178.96 0.20 . 1 . . . . 90 ARG C . 19031 1 297 . 1 1 72 72 ARG CA C 13 53.66 0.20 . 1 . . . . 90 ARG CA . 19031 1 298 . 1 1 72 72 ARG CB C 13 31.50 0.20 . 1 . . . . 90 ARG CB . 19031 1 299 . 1 1 72 72 ARG CG C 13 25.72 0.20 . 1 . . . . 90 ARG CG . 19031 1 300 . 1 1 72 72 ARG CD C 13 42.20 0.20 . 1 . . . . 90 ARG CD . 19031 1 301 . 1 1 72 72 ARG N N 15 118.04 0.20 . 1 . . . . 90 ARG N . 19031 1 302 . 1 1 73 73 GLN C C 13 176.93 0.20 . 1 . . . . 91 GLN C . 19031 1 303 . 1 1 73 73 GLN CA C 13 59.52 0.20 . 1 . . . . 91 GLN CA . 19031 1 304 . 1 1 73 73 GLN CB C 13 27.96 0.20 . 1 . . . . 91 GLN CB . 19031 1 305 . 1 1 73 73 GLN CG C 13 33.79 0.20 . 1 . . . . 91 GLN CG . 19031 1 306 . 1 1 73 73 GLN CD C 13 179.55 0.20 . 1 . . . . 91 GLN CD . 19031 1 307 . 1 1 73 73 GLN N N 15 122.03 0.20 . 1 . . . . 91 GLN N . 19031 1 308 . 1 1 74 74 SER C C 13 175.86 0.20 . 1 . . . . 92 SER C . 19031 1 309 . 1 1 74 74 SER CA C 13 59.73 0.20 . 1 . . . . 92 SER CA . 19031 1 310 . 1 1 74 74 SER CB C 13 62.74 0.20 . 1 . . . . 92 SER CB . 19031 1 311 . 1 1 74 74 SER N N 15 110.84 0.20 . 1 . . . . 92 SER N . 19031 1 312 . 1 1 75 75 GLN C C 13 175.18 0.20 . 1 . . . . 93 GLN C . 19031 1 313 . 1 1 75 75 GLN CA C 13 55.94 0.20 . 1 . . . . 93 GLN CA . 19031 1 314 . 1 1 75 75 GLN CB C 13 30.37 0.20 . 1 . . . . 93 GLN CB . 19031 1 315 . 1 1 75 75 GLN CG C 13 35.42 0.20 . 1 . . . . 93 GLN CG . 19031 1 316 . 1 1 75 75 GLN N N 15 119.28 0.20 . 1 . . . . 93 GLN N . 19031 1 317 . 1 1 76 76 ILE CA C 13 58.09 0.20 . 1 . . . . 94 ILE CA . 19031 1 318 . 1 1 76 76 ILE CB C 13 41.66 0.20 . 1 . . . . 94 ILE CB . 19031 1 319 . 1 1 76 76 ILE CG1 C 13 25.79 0.20 . 1 . . . . 94 ILE CG1 . 19031 1 320 . 1 1 76 76 ILE CG2 C 13 19.48 0.20 . 1 . . . . 94 ILE CG2 . 19031 1 321 . 1 1 76 76 ILE N N 15 114.73 0.20 . 1 . . . . 94 ILE N . 19031 1 322 . 1 1 78 78 VAL CB C 13 32.96 0.20 . 1 . . . . 96 VAL CB . 19031 1 323 . 1 1 78 78 VAL CG1 C 13 21.57 0.20 . 2 . . . . 96 VAL CG1 . 19031 1 stop_ save_