data_19031 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state Chemical Shift Assignments for p150Glued CAP-Gly Domain in complex with EB1 at 19.9 T ; _BMRB_accession_number 19031 _BMRB_flat_file_name bmr19031.str _Entry_type original _Submission_date 2013-02-12 _Accession_date 2013-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The chemical shifts reported here are from the U-13C,U-15N CAP-Gly binding to natural abundance EB1.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Si . . 2 Hou Guangjin . . 3 Schwieters Charles D. . 4 Ahmed Shubbir . . 5 Williams John C. . 6 Polenova Tatyana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 258 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-16 update BMRB 'update entry authors' 2013-10-29 update BMRB 'update entry citation' 2013-06-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 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' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23648839 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Si . . 2 Hou Guangjin . . 3 Schwieters Charles D. . 4 Ahmed Shubbir . . 5 Williams John C. . 6 Polenova Tatyana . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4249 _Page_last 4266 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CAP-Gly/EB1 heterotetramer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CAP-Gly, 1' $CAP-Gly 'CAP-Gly, 2' $CAP-Gly 'EB1, 1' $EB1 'EB1, 2' $EB1 stop_ _System_molecular_weight 36520 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Regulating microtubule plus-end dynamics' stop_ _Database_query_date . _Details 'The EB1c forms homodimer first. Then, by adding the p150Gluded CAP-Gly, two molecules of CAP-Gly bind to the EB1c homodimer.' save_ ######################## # Monomeric polymers # ######################## save_CAP-Gly _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CAP-Gly _Molecular_mass 9513 _Mol_thiol_state 'all free' loop_ _Biological_function 'Motor protein associated with microtubules' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; STEASARPLRVGSRVEVIGK GHRGTVAYVGATLFATGKWV GVILDEAKGKNDGTVQGRKY FTCDEGHGIFVRQSQIQVFE DGADTTSPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 SER 2 20 THR 3 21 GLU 4 22 ALA 5 23 SER 6 24 ALA 7 25 ARG 8 26 PRO 9 27 LEU 10 28 ARG 11 29 VAL 12 30 GLY 13 31 SER 14 32 ARG 15 33 VAL 16 34 GLU 17 35 VAL 18 36 ILE 19 37 GLY 20 38 LYS 21 39 GLY 22 40 HIS 23 41 ARG 24 42 GLY 25 43 THR 26 44 VAL 27 45 ALA 28 46 TYR 29 47 VAL 30 48 GLY 31 49 ALA 32 50 THR 33 51 LEU 34 52 PHE 35 53 ALA 36 54 THR 37 55 GLY 38 56 LYS 39 57 TRP 40 58 VAL 41 59 GLY 42 60 VAL 43 61 ILE 44 62 LEU 45 63 ASP 46 64 GLU 47 65 ALA 48 66 LYS 49 67 GLY 50 68 LYS 51 69 ASN 52 70 ASP 53 71 GLY 54 72 THR 55 73 VAL 56 74 GLN 57 75 GLY 58 76 ARG 59 77 LYS 60 78 TYR 61 79 PHE 62 80 THR 63 81 CYS 64 82 ASP 65 83 GLU 66 84 GLY 67 85 HIS 68 86 GLY 69 87 ILE 70 88 PHE 71 89 VAL 72 90 ARG 73 91 GLN 74 92 SER 75 93 GLN 76 94 ILE 77 95 GLN 78 96 VAL 79 97 PHE 80 98 GLU 81 99 ASP 82 100 GLY 83 101 ALA 84 102 ASP 85 103 THR 86 104 THR 87 105 SER 88 106 PRO 89 107 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17937 CAP-Gly 98.88 88 100.00 100.00 9.76e-56 BMRB 17938 CAP-Gly 98.88 88 100.00 100.00 9.76e-56 BMRB 19025 CAP-Gly 100.00 89 100.00 100.00 2.00e-56 BMRB 25005 CAP-Gly 100.00 89 100.00 100.00 2.00e-56 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 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 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 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 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 PDB 2HQH "Crystal Structure Of P150glued And Clip-170" 100.00 93 98.88 98.88 7.72e-56 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 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 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 PDB 3TQ7 "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" 79.78 71 98.59 98.59 1.25e-41 DBJ BAE34241 "unnamed protein product [Mus musculus]" 100.00 1243 100.00 100.00 7.64e-52 DBJ BAE37079 "unnamed protein product [Mus musculus]" 100.00 395 100.00 100.00 5.84e-57 DBJ BAE42418 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 1.22e-51 DBJ BAE42912 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 9.78e-52 DBJ BAE87998 "unnamed protein product [Macaca fascicularis]" 100.00 409 98.88 98.88 6.18e-56 EMBL CAA44091 "150K dynein-associated polypeptide [Rattus norvegicus]" 100.00 1280 100.00 100.00 1.18e-51 EMBL CAA67333 "dynactin [Homo sapiens]" 100.00 1263 98.88 98.88 5.98e-51 EMBL CAE45882 "hypothetical protein [Homo sapiens]" 100.00 1278 98.88 98.88 8.70e-51 EMBL CAH10572 "hypothetical protein [Homo sapiens]" 100.00 890 98.88 98.88 2.49e-51 EMBL CAH10575 "hypothetical protein [Homo sapiens]" 100.00 890 98.88 98.88 2.62e-51 GB AAB57773 "dynactin1 [Mus musculus]" 100.00 1281 100.00 100.00 1.94e-51 GB AAD03694 "dynactin 1 [Homo sapiens]" 100.00 1261 98.88 98.88 5.79e-51 GB AAD55811 "dynactin 1 p150 isoform [Homo sapiens]" 100.00 1278 98.88 98.88 7.89e-51 GB AAH66061 "Dctn1 protein [Mus musculus]" 100.00 1264 98.88 98.88 4.06e-50 GB AAI42510 "DCTN1 protein [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-51 REF NP_001092404 "dynactin subunit 1 [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-51 REF NP_001127253 "dynactin subunit 1 [Pongo abelii]" 66.29 233 100.00 100.00 5.34e-35 REF NP_001128512 "dynactin subunit 1 isoform 3 [Homo sapiens]" 100.00 1253 98.88 98.88 4.60e-51 REF NP_001177765 "dynactin subunit 1 isoform 5 [Homo sapiens]" 100.00 1236 98.88 98.88 4.47e-51 REF NP_001177766 "dynactin subunit 1 isoform 6 [Homo sapiens]" 100.00 1271 98.88 98.88 6.48e-51 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 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 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 TPG DAA24857 "TPA: dynactin 1 [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-51 stop_ save_ save_EB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EB1 _Molecular_mass 8747 _Mol_thiol_state unknown loop_ _Biological_function 'Microtubule plus-end tracking protein' stop_ _Details . _Residue_count 75 _Mol_residue_sequence ; AELMQQVNVLKLTVEDLEKE RDFYFGKLRNIELICQENEG ENDPVLQRIVDILYATDEGF VIPDEGGPQEEQEEY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLU 3 3 LEU 4 4 MET 5 5 GLN 6 6 GLN 7 7 VAL 8 8 ASN 9 9 VAL 10 10 LEU 11 11 LYS 12 12 LEU 13 13 THR 14 14 VAL 15 15 GLU 16 16 ASP 17 17 LEU 18 18 GLU 19 19 LYS 20 20 GLU 21 21 ARG 22 22 ASP 23 23 PHE 24 24 TYR 25 25 PHE 26 26 GLY 27 27 LYS 28 28 LEU 29 29 ARG 30 30 ASN 31 31 ILE 32 32 GLU 33 33 LEU 34 34 ILE 35 35 CYS 36 36 GLN 37 37 GLU 38 38 ASN 39 39 GLU 40 40 GLY 41 41 GLU 42 42 ASN 43 43 ASP 44 44 PRO 45 45 VAL 46 46 LEU 47 47 GLN 48 48 ARG 49 49 ILE 50 50 VAL 51 51 ASP 52 52 ILE 53 53 LEU 54 54 TYR 55 55 ALA 56 56 THR 57 57 ASP 58 58 GLU 59 59 GLY 60 60 PHE 61 61 VAL 62 62 ILE 63 63 PRO 64 64 ASP 65 65 GLU 66 66 GLY 67 67 GLY 68 68 PRO 69 69 GLN 70 70 GLU 71 71 GLU 72 72 GLN 73 73 GLU 74 74 GLU 75 75 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18371 EB1_C-terminal_domain 100.00 85 100.00 100.00 4.09e-44 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 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 PDB 1YIB "Crystal Structure Of The Human Eb1 C-terminal Dimerization Domain" 82.67 76 100.00 100.00 2.38e-34 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 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 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 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 PDB 3TQ7 "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" 100.00 78 100.00 100.00 2.92e-44 DBJ BAE32461 "unnamed protein product [Mus musculus]" 100.00 268 98.67 98.67 1.28e-42 DBJ BAE89438 "unnamed protein product [Macaca fascicularis]" 100.00 268 100.00 100.00 1.45e-43 DBJ BAG35484 "unnamed protein product [Homo sapiens]" 100.00 268 100.00 100.00 1.60e-43 DBJ BAG59745 "unnamed protein product [Homo sapiens]" 100.00 238 100.00 100.00 5.99e-44 DBJ BAG73401 "microtubule-associated protein, RP/EB family, member 1 [synthetic construct]" 100.00 268 100.00 100.00 1.60e-43 EMBL CAH92115 "hypothetical protein [Pongo abelii]" 100.00 268 100.00 100.00 1.57e-43 GB AAA96320 "APC-binding protein EB1 homolog [Mus musculus]" 100.00 268 98.67 98.67 1.28e-42 GB AAC09471 "EB1 [Homo sapiens]" 100.00 268 100.00 100.00 1.60e-43 GB AAH52405 "Mapre1 protein, partial [Mus musculus]" 100.00 271 98.67 98.67 1.42e-42 GB AAH64444 "Mapre1 protein [Mus musculus]" 100.00 268 98.67 98.67 1.28e-42 GB AAH81726 "Microtubule-associated protein, RP/EB family, member 1 [Rattus norvegicus]" 100.00 268 98.67 98.67 1.31e-42 REF NP_001038078 "microtubule-associated protein RP/EB family member 1 [Sus scrofa]" 100.00 268 98.67 100.00 8.78e-43 REF NP_001068802 "microtubule-associated protein RP/EB family member 1 [Bos taurus]" 100.00 268 98.67 100.00 7.09e-43 REF NP_001126236 "microtubule-associated protein RP/EB family member 1 [Pongo abelii]" 100.00 268 100.00 100.00 1.57e-43 REF NP_001238875 "microtubule-associated protein RP/EB family member 1 [Canis lupus familiaris]" 100.00 268 98.67 100.00 7.32e-43 REF NP_001253729 "microtubule-associated protein RP/EB family member 1 [Macaca mulatta]" 100.00 268 100.00 100.00 1.52e-43 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 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 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 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 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 TPG DAA23186 "TPA: microtubule-associated protein RP/EB family member 1 [Bos taurus]" 76.00 270 98.25 100.00 6.44e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CAP-Gly Rat 10116 Eukaryota Metazoa Rattus norvegicus $EB1 Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CAP-Gly 'recombinant technology' . Escherichia coli BL21(DE3) pET28b-His6-SMT3 $EB1 'recombinant technology' . Escherichia coli BL21(DE3) pET28b-His6-SMT3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'The complex of CAP-Gly/EB1 was precipitated by 50% PEG-3350.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CAP-Gly 11.8 mg '[U-13C; U-15N]' $EB1 10.2 mg 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DARR' _Sample_label $sample_1 save_ save_2D_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_3D_NCACX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CANCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCX' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 90 . mM pH 7.0 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D DARR' '2D NCA' '3D NCACX' '3D NCOCX' '3D CANCX' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CAP-Gly, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 29 11 VAL C C 177.00 0.20 1 2 29 11 VAL CA C 65.67 0.20 1 3 29 11 VAL CB C 31.57 0.20 1 4 29 11 VAL CG1 C 22.66 0.20 2 5 29 11 VAL CG2 C 20.74 0.20 2 6 29 11 VAL N N 121.54 0.20 1 7 30 12 GLY C C 174.26 0.20 1 8 30 12 GLY CA C 45.31 0.20 1 9 30 12 GLY N N 115.29 0.20 1 10 31 13 SER C C 173.35 0.20 1 11 31 13 SER CA C 61.27 0.20 1 12 31 13 SER CB C 63.97 0.20 1 13 31 13 SER N N 117.56 0.20 1 14 32 14 ARG C C 176.68 0.20 1 15 32 14 ARG CA C 52.97 0.20 1 16 32 14 ARG CB C 28.81 0.20 1 17 32 14 ARG CG C 25.09 0.20 1 18 32 14 ARG CD C 40.86 0.20 1 19 32 14 ARG N N 124.91 0.20 1 20 33 15 VAL C C 174.32 0.20 1 21 33 15 VAL CA C 58.13 0.20 1 22 33 15 VAL CB C 37.68 0.20 1 23 33 15 VAL CG1 C 23.39 0.20 2 24 33 15 VAL CG2 C 17.95 0.20 2 25 33 15 VAL N N 113.02 0.20 1 26 34 16 GLU CA C 54.01 0.20 1 27 34 16 GLU N N 118.16 0.20 1 28 35 17 VAL C C 176.76 0.20 1 29 35 17 VAL CA C 62.79 0.20 1 30 35 17 VAL CB C 32.49 0.20 1 31 35 17 VAL CG1 C 21.97 0.20 2 32 35 17 VAL CG2 C 21.13 0.20 2 33 35 17 VAL N N 124.44 0.20 1 34 36 18 ILE C C 177.55 0.20 1 35 36 18 ILE CA C 63.97 0.20 1 36 36 18 ILE CB C 38.47 0.20 1 37 36 18 ILE CG1 C 28.94 0.20 1 38 36 18 ILE CG2 C 17.23 0.20 1 39 36 18 ILE CD1 C 13.91 0.20 1 40 36 18 ILE N N 131.85 0.20 1 41 37 19 GLY N N 118.07 0.20 1 42 39 21 GLY C C 173.87 0.20 1 43 39 21 GLY CA C 46.39 0.20 1 44 39 21 GLY N N 104.59 0.20 1 45 40 22 HIS C C 175.63 0.20 1 46 40 22 HIS CA C 55.58 0.20 1 47 40 22 HIS CB C 31.58 0.20 1 48 40 22 HIS N N 116.89 0.20 1 49 41 23 ARG C C 178.16 0.20 1 50 41 23 ARG CA C 55.47 0.20 1 51 41 23 ARG CB C 32.46 0.20 1 52 41 23 ARG CG C 29.01 0.20 1 53 41 23 ARG CD C 43.96 0.20 1 54 41 23 ARG N N 123.03 0.20 1 55 42 24 GLY C C 170.84 0.20 1 56 42 24 GLY CA C 47.34 0.20 1 57 42 24 GLY N N 107.30 0.20 1 58 43 25 THR C C 174.39 0.20 1 59 43 25 THR CA C 61.04 0.20 1 60 43 25 THR CB C 71.95 0.20 1 61 43 25 THR CG2 C 22.18 0.20 1 62 43 25 THR N N 117.53 0.20 1 63 44 26 VAL C C 174.48 0.20 1 64 44 26 VAL CA C 65.46 0.20 1 65 44 26 VAL CB C 31.61 0.20 1 66 44 26 VAL CG1 C 24.56 0.20 2 67 44 26 VAL CG2 C 22.72 0.20 2 68 44 26 VAL N N 128.15 0.20 1 69 45 27 ALA C C 176.62 0.20 1 70 45 27 ALA CA C 51.32 0.20 1 71 45 27 ALA CB C 22.42 0.20 1 72 45 27 ALA N N 130.49 0.20 1 73 46 28 TYR C C 173.39 0.20 1 74 46 28 TYR CA C 58.28 0.20 1 75 46 28 TYR CB C 43.35 0.20 1 76 46 28 TYR N N 119.76 0.20 1 77 47 29 VAL C C 175.53 0.20 1 78 47 29 VAL CA C 61.95 0.20 1 79 47 29 VAL CB C 35.31 0.20 1 80 47 29 VAL CG1 C 21.77 0.20 2 81 47 29 VAL N N 129.88 0.20 1 82 48 30 GLY C C 173.37 0.20 1 83 48 30 GLY CA C 45.58 0.20 1 84 48 30 GLY N N 114.87 0.20 1 85 49 31 ALA C C 178.47 0.20 1 86 49 31 ALA CA C 52.35 0.20 1 87 49 31 ALA CB C 19.99 0.20 1 88 49 31 ALA N N 127.08 0.20 1 89 50 32 THR C C 171.95 0.20 1 90 50 32 THR CA C 59.87 0.20 1 91 50 32 THR CB C 72.37 0.20 1 92 50 32 THR CG2 C 22.05 0.20 1 93 50 32 THR N N 113.08 0.20 1 94 51 33 LEU C C 178.76 0.20 1 95 51 33 LEU CA C 55.10 0.20 1 96 51 33 LEU CB C 43.56 0.20 1 97 51 33 LEU CG C 27.37 0.20 1 98 51 33 LEU CD1 C 26.78 0.20 1 99 51 33 LEU CD2 C 24.69 0.20 1 100 51 33 LEU N N 111.60 0.20 1 101 52 34 PHE C C 174.33 0.20 1 102 52 34 PHE CA C 57.02 0.20 1 103 52 34 PHE CB C 38.19 0.20 1 104 52 34 PHE N N 111.31 0.20 1 105 53 35 ALA C C 176.54 0.20 1 106 53 35 ALA CA C 52.03 0.20 1 107 53 35 ALA CB C 22.03 0.20 1 108 53 35 ALA N N 122.57 0.20 1 109 54 36 THR C C 177.03 0.20 1 110 54 36 THR CA C 62.13 0.20 1 111 54 36 THR CB C 71.83 0.20 1 112 54 36 THR CG2 C 22.69 0.20 1 113 54 36 THR N N 108.75 0.20 1 114 55 37 GLY C C 171.87 0.20 1 115 55 37 GLY CA C 45.32 0.20 1 116 55 37 GLY N N 108.57 0.20 1 117 56 38 LYS C C 176.09 0.20 1 118 56 38 LYS CA C 57.29 0.20 1 119 56 38 LYS CB C 33.34 0.20 1 120 56 38 LYS CG C 25.71 0.20 1 121 56 38 LYS CD C 29.77 0.20 1 122 56 38 LYS CE C 42.33 0.20 1 123 56 38 LYS N N 121.29 0.20 1 124 57 39 TRP C C 174.11 0.20 1 125 57 39 TRP CA C 57.05 0.20 1 126 57 39 TRP CB C 34.04 0.20 1 127 57 39 TRP CD2 C 127.18 0.20 1 128 57 39 TRP N N 130.68 0.20 1 129 58 40 VAL C C 176.22 0.20 1 130 58 40 VAL CA C 61.45 0.20 1 131 58 40 VAL CB C 33.50 0.20 1 132 58 40 VAL CG1 C 23.18 0.20 2 133 58 40 VAL CG2 C 20.80 0.20 2 134 58 40 VAL N N 119.58 0.20 1 135 59 41 GLY C C 172.59 0.20 1 136 59 41 GLY CA C 45.49 0.20 1 137 59 41 GLY N N 115.40 0.20 1 138 60 42 VAL C C 174.16 0.20 1 139 60 42 VAL CA C 60.72 0.20 1 140 60 42 VAL CB C 35.42 0.20 1 141 60 42 VAL CG1 C 22.23 0.20 2 142 60 42 VAL N N 128.07 0.20 1 143 61 43 ILE C C 177.45 0.20 1 144 61 43 ILE CA C 60.73 0.20 1 145 61 43 ILE CB C 39.01 0.20 1 146 61 43 ILE CG1 C 28.73 0.20 1 147 61 43 ILE CG2 C 18.00 0.20 1 148 61 43 ILE CD1 C 14.86 0.20 1 149 61 43 ILE N N 124.04 0.20 1 150 62 44 LEU C C 178.08 0.20 1 151 62 44 LEU CA C 55.38 0.20 1 152 62 44 LEU CB C 41.73 0.20 1 153 62 44 LEU CG C 27.04 0.20 1 154 62 44 LEU CD1 C 22.42 0.20 2 155 62 44 LEU N N 133.72 0.20 1 156 63 45 ASP C C 177.86 0.20 1 157 63 45 ASP CA C 57.36 0.20 1 158 63 45 ASP CB C 39.93 0.20 1 159 63 45 ASP CG C 179.84 0.20 1 160 63 45 ASP N N 125.41 0.20 1 161 64 46 GLU C C 176.97 0.20 1 162 64 46 GLU CA C 54.41 0.20 1 163 64 46 GLU CB C 33.40 0.20 1 164 64 46 GLU CG C 37.56 0.20 1 165 64 46 GLU CD C 184.41 0.20 1 166 64 46 GLU N N 117.84 0.20 1 167 65 47 ALA C C 178.06 0.20 1 168 65 47 ALA CA C 50.99 0.20 1 169 65 47 ALA CB C 15.69 0.20 1 170 65 47 ALA N N 124.98 0.20 1 171 66 48 LYS C C 176.44 0.20 1 172 66 48 LYS CA C 53.51 0.20 1 173 66 48 LYS CB C 33.17 0.20 1 174 66 48 LYS CG C 25.24 0.20 1 175 66 48 LYS CD C 28.52 0.20 1 176 66 48 LYS CE C 42.52 0.20 1 177 66 48 LYS N N 122.69 0.20 1 178 67 49 GLY C C 173.13 0.20 1 179 67 49 GLY CA C 44.06 0.20 1 180 67 49 GLY N N 109.39 0.20 1 181 68 50 LYS C C 175.98 0.20 1 182 68 50 LYS CA C 56.83 0.20 1 183 68 50 LYS CB C 36.84 0.20 1 184 68 50 LYS CG C 25.46 0.20 1 185 68 50 LYS CD C 29.00 0.20 1 186 68 50 LYS CE C 41.94 0.20 1 187 68 50 LYS N N 117.18 0.20 1 188 69 51 ASN C C 173.21 0.20 1 189 69 51 ASN CA C 54.05 0.20 1 190 69 51 ASN CB C 40.99 0.20 1 191 69 51 ASN CG C 175.52 0.20 1 192 69 51 ASN N N 117.98 0.20 1 193 70 52 ASP C C 178.65 0.20 1 194 70 52 ASP CA C 52.90 0.20 1 195 70 52 ASP CB C 40.83 0.20 1 196 70 52 ASP CG C 182.07 0.20 1 197 70 52 ASP N N 119.49 0.20 1 198 71 53 GLY C C 174.63 0.20 1 199 71 53 GLY CA C 44.24 0.20 1 200 71 53 GLY N N 112.62 0.20 1 201 72 54 THR C C 174.68 0.20 1 202 72 54 THR CA C 61.49 0.20 1 203 72 54 THR CB C 69.23 0.20 1 204 72 54 THR CG2 C 19.94 0.20 1 205 72 54 THR N N 117.98 0.20 1 206 73 55 VAL C C 176.72 0.20 1 207 73 55 VAL CA C 61.61 0.20 1 208 73 55 VAL CB C 36.51 0.20 1 209 73 55 VAL CG1 C 22.44 0.20 2 210 73 55 VAL CG2 C 21.67 0.20 2 211 73 55 VAL N N 123.47 0.20 1 212 74 56 GLN C C 176.09 0.20 1 213 74 56 GLN CA C 56.83 0.20 1 214 74 56 GLN CB C 26.68 0.20 1 215 74 56 GLN CG C 34.11 0.20 1 216 74 56 GLN CD C 180.72 0.20 1 217 74 56 GLN N N 130.01 0.20 1 218 75 57 GLY C C 173.55 0.20 1 219 75 57 GLY CA C 45.56 0.20 1 220 75 57 GLY N N 103.65 0.20 1 221 76 58 ARG C C 172.58 0.20 1 222 76 58 ARG CA C 54.56 0.20 1 223 76 58 ARG CB C 31.41 0.20 1 224 76 58 ARG CG C 28.62 0.20 1 225 76 58 ARG CD C 42.90 0.20 1 226 76 58 ARG N N 122.12 0.20 1 227 77 59 LYS C C 175.81 0.20 1 228 77 59 LYS CA C 56.35 0.20 1 229 77 59 LYS CB C 32.23 0.20 1 230 77 59 LYS CG C 24.49 0.20 1 231 77 59 LYS CD C 29.40 0.20 1 232 77 59 LYS CE C 41.62 0.20 1 233 77 59 LYS N N 128.35 0.20 1 234 78 60 TYR C C 175.72 0.20 1 235 78 60 TYR CA C 61.21 0.20 1 236 78 60 TYR CB C 39.65 0.20 1 237 78 60 TYR CG C 130.83 0.20 1 238 78 60 TYR CD1 C 133.78 0.20 2 239 78 60 TYR CE1 C 117.50 0.20 2 240 78 60 TYR CE2 C 117.50 0.20 2 241 78 60 TYR N N 128.97 0.20 1 242 79 61 PHE C C 172.78 0.20 1 243 79 61 PHE CA C 56.04 0.20 1 244 79 61 PHE CB C 38.94 0.20 1 245 79 61 PHE CG C 138.16 0.20 1 246 79 61 PHE CD1 C 131.13 0.20 2 247 79 61 PHE N N 114.12 0.20 1 248 80 62 THR C C 172.97 0.20 1 249 80 62 THR CA C 63.06 0.20 1 250 80 62 THR CB C 71.09 0.20 1 251 80 62 THR CG2 C 21.69 0.20 1 252 80 62 THR N N 115.63 0.20 1 253 81 63 CYS C C 172.03 0.20 1 254 81 63 CYS CA C 56.27 0.20 1 255 81 63 CYS CB C 31.93 0.20 1 256 81 63 CYS N N 121.30 0.20 1 257 82 64 ASP C C 176.88 0.20 1 258 82 64 ASP CA C 54.53 0.20 1 259 82 64 ASP CB C 41.40 0.20 1 260 82 64 ASP CG C 180.15 0.20 1 261 82 64 ASP N N 118.32 0.20 1 262 83 65 GLU C C 177.90 0.20 1 263 83 65 GLU CA C 58.61 0.20 1 264 83 65 GLU CB C 29.97 0.20 1 265 83 65 GLU CG C 36.03 0.20 1 266 83 65 GLU N N 121.20 0.20 1 267 84 66 GLY C C 174.47 0.20 1 268 84 66 GLY CA C 45.42 0.20 1 269 84 66 GLY N N 112.95 0.20 1 270 85 67 HIS C C 173.99 0.20 1 271 85 67 HIS CA C 56.71 0.20 1 272 85 67 HIS CB C 29.17 0.20 1 273 85 67 HIS CG C 132.17 0.20 1 274 85 67 HIS CD2 C 121.95 0.20 1 275 85 67 HIS N N 114.46 0.20 1 276 86 68 GLY C C 174.50 0.20 1 277 86 68 GLY CA C 45.11 0.20 1 278 86 68 GLY N N 112.45 0.20 1 279 87 69 ILE C C 171.25 0.20 1 280 87 69 ILE CA C 60.96 0.20 1 281 87 69 ILE CB C 43.93 0.20 1 282 87 69 ILE CG1 C 28.84 0.20 1 283 87 69 ILE CG2 C 15.94 0.20 1 284 87 69 ILE CD1 C 14.72 0.20 1 285 87 69 ILE N N 121.61 0.20 1 286 88 70 PHE C C 175.55 0.20 1 287 88 70 PHE CA C 57.44 0.20 1 288 88 70 PHE CB C 42.52 0.20 1 289 88 70 PHE N N 126.83 0.20 1 290 89 71 VAL C C 175.92 0.20 1 291 89 71 VAL CA C 58.85 0.20 1 292 89 71 VAL CB C 37.05 0.20 1 293 89 71 VAL CG1 C 23.51 0.20 2 294 89 71 VAL CG2 C 18.74 0.20 2 295 89 71 VAL N N 112.15 0.20 1 296 90 72 ARG C C 178.96 0.20 1 297 90 72 ARG CA C 53.66 0.20 1 298 90 72 ARG CB C 31.50 0.20 1 299 90 72 ARG CG C 25.72 0.20 1 300 90 72 ARG CD C 42.20 0.20 1 301 90 72 ARG N N 118.04 0.20 1 302 91 73 GLN C C 176.93 0.20 1 303 91 73 GLN CA C 59.52 0.20 1 304 91 73 GLN CB C 27.96 0.20 1 305 91 73 GLN CG C 33.79 0.20 1 306 91 73 GLN CD C 179.55 0.20 1 307 91 73 GLN N N 122.03 0.20 1 308 92 74 SER C C 175.86 0.20 1 309 92 74 SER CA C 59.73 0.20 1 310 92 74 SER CB C 62.74 0.20 1 311 92 74 SER N N 110.84 0.20 1 312 93 75 GLN C C 175.18 0.20 1 313 93 75 GLN CA C 55.94 0.20 1 314 93 75 GLN CB C 30.37 0.20 1 315 93 75 GLN CG C 35.42 0.20 1 316 93 75 GLN N N 119.28 0.20 1 317 94 76 ILE CA C 58.09 0.20 1 318 94 76 ILE CB C 41.66 0.20 1 319 94 76 ILE CG1 C 25.79 0.20 1 320 94 76 ILE CG2 C 19.48 0.20 1 321 94 76 ILE N N 114.73 0.20 1 322 96 78 VAL CB C 32.96 0.20 1 323 96 78 VAL CG1 C 21.57 0.20 2 stop_ save_