data_16736 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF P62 PB1 DIMER DETERMINED BASED ON PCS ; _BMRB_accession_number 16736 _BMRB_flat_file_name bmr16736.str _Entry_type original _Submission_date 2010-02-19 _Accession_date 2010-02-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saio Tomohide . . 2 Yokochi Masashi . . 3 Kumeta Hiroyuki . . 4 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-03 original author . stop_ _Original_release_date 2010-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'PCS-based structure determination of protein-protein complexes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20300805 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saio Tomohide . . 2 Yokochi Masashi . . 3 Kumeta Hiroyuki . . 4 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 46 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 271 _Page_last 280 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'P62 PB1 Dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 'TERBIUM(III) ION' $TB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11119.817 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; CYVDTNNDGAYEGDELHMGS LTVKAYLLGKEEAAREIRRF SFCFSPEPEAEAAAGPGPSE RLLSRVAVLFPALRPGGFQA HYRAERGDLVAFSSDEELTM AMSYVKDDIFRIYIKEK ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 TYR 3 VAL 4 ASP 5 THR 6 ASN 7 ASN 8 ASP 9 GLY 10 ALA 11 TYR 12 GLU 13 GLY 14 ASP 15 GLU 16 LEU 17 HIS 18 MET 19 GLY 20 SER 21 LEU 22 THR 23 VAL 24 LYS 25 ALA 26 TYR 27 LEU 28 LEU 29 GLY 30 LYS 31 GLU 32 GLU 33 ALA 34 ALA 35 ARG 36 GLU 37 ILE 38 ARG 39 ARG 40 PHE 41 SER 42 PHE 43 CYS 44 PHE 45 SER 46 PRO 47 GLU 48 PRO 49 GLU 50 ALA 51 GLU 52 ALA 53 ALA 54 ALA 55 GLY 56 PRO 57 GLY 58 PRO 59 SER 60 GLU 61 ARG 62 LEU 63 LEU 64 SER 65 ARG 66 VAL 67 ALA 68 VAL 69 LEU 70 PHE 71 PRO 72 ALA 73 LEU 74 ARG 75 PRO 76 GLY 77 GLY 78 PHE 79 GLN 80 ALA 81 HIS 82 TYR 83 ARG 84 ALA 85 GLU 86 ARG 87 GLY 88 ASP 89 LEU 90 VAL 91 ALA 92 PHE 93 SER 94 SER 95 ASP 96 GLU 97 GLU 98 LEU 99 THR 100 MET 101 ALA 102 MET 103 SER 104 TYR 105 VAL 106 LYS 107 ASP 108 ASP 109 ILE 110 PHE 111 ARG 112 ILE 113 TYR 114 ILE 115 LYS 116 GLU 117 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 16361 p62_PB1 86.32 100 98.02 98.02 1.70e-61 PDB 2KKC "Nmr Structure Of The P62 Pb1 Domain" 86.32 102 98.02 98.02 3.15e-61 PDB 2KTR "Nmr Structure Of P62 Pb1 Dimer Determined Based On Pcs" 100.00 117 100.00 100.00 1.05e-78 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 11019.478 _Mol_thiol_state 'not present' _Details . _Residue_count 100 _Mol_residue_sequence ; HMSLTVEAYLLGKEEAAREI RRFSFSFSPEPEAEAAAGPG PSERLLSRVAVLFPALRPGG FQAHYRDEDGDLVAFSSDEE LTMAMSYVKDDIFAIYIKEK ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 SER 4 LEU 5 THR 6 VAL 7 GLU 8 ALA 9 TYR 10 LEU 11 LEU 12 GLY 13 LYS 14 GLU 15 GLU 16 ALA 17 ALA 18 ARG 19 GLU 20 ILE 21 ARG 22 ARG 23 PHE 24 SER 25 PHE 26 SER 27 PHE 28 SER 29 PRO 30 GLU 31 PRO 32 GLU 33 ALA 34 GLU 35 ALA 36 ALA 37 ALA 38 GLY 39 PRO 40 GLY 41 PRO 42 SER 43 GLU 44 ARG 45 LEU 46 LEU 47 SER 48 ARG 49 VAL 50 ALA 51 VAL 52 LEU 53 PHE 54 PRO 55 ALA 56 LEU 57 ARG 58 PRO 59 GLY 60 GLY 61 PHE 62 GLN 63 ALA 64 HIS 65 TYR 66 ARG 67 ASP 68 GLU 69 ASP 70 GLY 71 ASP 72 LEU 73 VAL 74 ALA 75 PHE 76 SER 77 SER 78 ASP 79 GLU 80 GLU 81 LEU 82 THR 83 MET 84 ALA 85 MET 86 SER 87 TYR 88 VAL 89 LYS 90 ASP 91 ASP 92 ILE 93 PHE 94 ALA 95 ILE 96 TYR 97 ILE 98 LYS 99 GLU 100 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 PDB 2KTR "Nmr Structure Of P62 Pb1 Dimer Determined Based On Pcs" 100.00 100 100.00 100.00 7.57e-64 stop_ save_ ############# # Ligands # ############# save_TB _Saveframe_category ligand _Mol_type non-polymer _Name_common "TB (TERBIUM(III) ION)" _BMRB_code . _PDB_code TB _Molecular_mass 158.925 _Mol_charge 3 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:22:59 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons TB TB TB . 3 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Rat 10116 Eukaryota Metazoa Rattus norvegicus $entity_2 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 $entity_1 'recombinant technology' . Escherichia coli . pET21 $entity_2 'recombinant technology' . Escherichia coli . pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.5 mM 'natural abundance' MES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $TB 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' $entity_2 0.5 mM '[U-99% 13C; U-99% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $TB 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_OLIVIA _Saveframe_category software _Name Olivia _Version . loop_ _Vendor _Address _Electronic_address 'Masashi Yokochi' . http://fermi.pharm.hokudai.ac.jp/olivia/ stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.20 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UNITY_INOVA_800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_UNITY_INOVA_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_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 4 4 ASP H H 9.291 0.000 1 2 4 4 ASP N N 126.056 0.000 1 3 5 5 THR H H 8.149 0.000 1 4 5 5 THR N N 118.437 0.000 1 5 6 6 ASN H H 8.451 0.000 1 6 6 6 ASN N N 116.309 0.000 1 7 7 7 ASN H H 8.026 0.000 1 8 7 7 ASN N N 115.573 0.000 1 9 8 8 ASP H H 8.053 0.000 1 10 8 8 ASP N N 115.221 0.000 1 11 9 9 GLY H H 9.506 0.000 1 12 9 9 GLY N N 112.112 0.000 1 13 10 10 ALA H H 7.787 0.000 1 14 10 10 ALA N N 121.625 0.000 1 15 11 11 TYR H H 9.374 0.000 1 16 11 11 TYR N N 128.539 0.000 1 17 12 12 GLU H H 8.726 0.000 1 18 12 12 GLU N N 123.296 0.000 1 19 13 13 GLY H H 8.844 0.000 1 20 13 13 GLY N N 109.721 0.000 1 21 14 14 ASP H H 9.239 0.000 1 22 14 14 ASP N N 127.353 0.000 1 23 15 15 GLU H H 8.011 0.000 1 24 15 15 GLU N N 118.121 0.000 1 25 16 16 LEU H H 6.781 0.000 1 26 16 16 LEU N N 111.807 0.000 1 27 19 19 GLY H H 8.532 0.000 1 28 19 19 GLY N N 109.198 0.000 1 29 20 20 SER H H 8.221 0.000 1 30 20 20 SER N N 114.198 0.000 1 31 21 21 LEU H H 8.588 0.000 1 32 21 21 LEU N N 124.079 0.000 1 33 22 22 THR H H 8.647 0.000 1 34 22 22 THR N N 122.046 0.000 1 35 23 23 VAL H H 9.246 0.000 1 36 23 23 VAL N N 129.120 0.000 1 37 24 24 LYS H H 8.607 0.000 1 38 24 24 LYS N N 128.092 0.000 1 39 25 25 ALA H H 9.306 0.000 1 40 25 25 ALA N N 128.675 0.000 1 41 26 26 TYR H H 9.049 0.000 1 42 26 26 TYR N N 122.021 0.000 1 43 27 27 LEU H H 9.394 0.000 1 44 27 27 LEU N N 127.126 0.000 1 45 28 28 LEU H H 9.002 0.000 1 46 28 28 LEU N N 128.517 0.000 1 47 29 29 GLY H H 8.580 0.000 1 48 29 29 GLY N N 109.671 0.000 1 49 30 30 LYS H H 8.670 0.000 1 50 30 30 LYS N N 123.467 0.000 1 51 31 31 GLU H H 8.660 0.000 1 52 31 31 GLU N N 118.929 0.000 1 53 32 32 GLU H H 8.256 0.000 1 54 32 32 GLU N N 114.966 0.000 1 55 33 33 ALA H H 7.650 0.000 1 56 33 33 ALA N N 121.112 0.000 1 57 34 34 ALA H H 8.834 0.000 1 58 34 34 ALA N N 124.327 0.000 1 59 35 35 ARG H H 9.313 0.000 1 60 35 35 ARG N N 123.048 0.000 1 61 36 36 GLU H H 7.656 0.000 1 62 36 36 GLU N N 118.943 0.000 1 63 38 38 ARG H H 8.856 0.000 1 64 38 38 ARG N N 123.245 0.000 1 65 39 39 ARG H H 8.864 0.000 1 66 39 39 ARG N N 119.498 0.000 1 67 40 40 PHE H H 8.981 0.000 1 68 40 40 PHE N N 115.851 0.000 1 69 41 41 SER H H 9.100 0.000 1 70 41 41 SER N N 116.465 0.000 1 71 42 42 PHE H H 9.506 0.000 1 72 42 42 PHE N N 125.635 0.000 1 73 47 47 GLU H H 8.305 0.000 1 74 47 47 GLU N N 121.773 0.000 1 75 49 49 GLU H H 8.525 0.000 1 76 49 49 GLU N N 119.794 0.000 1 77 50 50 ALA H H 8.197 0.000 1 78 50 50 ALA N N 123.929 0.000 1 79 51 51 GLU H H 8.357 0.000 1 80 51 51 GLU N N 118.677 0.000 1 81 52 52 ALA H H 8.171 0.000 1 82 52 52 ALA N N 123.471 0.000 1 83 53 53 ALA H H 8.126 0.000 1 84 53 53 ALA N N 121.966 0.000 1 85 54 54 ALA H H 8.145 0.000 1 86 54 54 ALA N N 122.463 0.000 1 87 55 55 GLY H H 8.152 0.000 1 88 55 55 GLY N N 108.398 0.000 1 89 57 57 GLY H H 8.731 0.000 1 90 57 57 GLY N N 110.677 0.000 1 91 59 59 SER H H 8.689 0.000 1 92 59 59 SER N N 113.613 0.000 1 93 60 60 GLU H H 8.450 0.000 1 94 60 60 GLU N N 122.836 0.000 1 95 61 61 ARG H H 8.478 0.000 1 96 61 61 ARG N N 118.543 0.000 1 97 62 62 LEU H H 8.819 0.000 1 98 62 62 LEU N N 123.033 0.000 1 99 63 63 LEU H H 8.827 0.000 1 100 63 63 LEU N N 118.370 0.000 1 101 64 64 SER H H 8.472 0.000 1 102 64 64 SER N N 116.720 0.000 1 103 65 65 ARG H H 7.721 0.000 1 104 65 65 ARG N N 122.587 0.000 1 105 66 66 VAL H H 7.995 0.000 1 106 66 66 VAL N N 118.121 0.000 1 107 67 67 ALA H H 7.531 0.000 1 108 67 67 ALA N N 118.262 0.000 1 109 68 68 VAL H H 7.263 0.000 1 110 68 68 VAL N N 114.314 0.000 1 111 69 69 LEU H H 7.617 0.000 1 112 69 69 LEU N N 120.788 0.000 1 113 70 70 PHE H H 7.328 0.000 1 114 70 70 PHE N N 114.756 0.000 1 115 72 72 ALA H H 8.114 0.000 1 116 72 72 ALA N N 117.543 0.000 1 117 73 73 LEU H H 7.767 0.000 1 118 73 73 LEU N N 116.774 0.000 1 119 74 74 ARG H H 8.614 0.000 1 120 74 74 ARG N N 120.773 0.000 1 121 76 76 GLY H H 8.729 0.000 1 122 76 76 GLY N N 113.479 0.000 1 123 77 77 GLY H H 8.586 0.000 1 124 77 77 GLY N N 107.420 0.000 1 125 78 78 PHE H H 7.171 0.000 1 126 78 78 PHE N N 114.756 0.000 1 127 79 79 GLN H H 9.296 0.000 1 128 79 79 GLN N N 120.103 0.000 1 129 80 80 ALA H H 9.559 0.000 1 130 80 80 ALA N N 130.627 0.000 1 131 82 82 TYR H H 9.401 0.000 1 132 82 82 TYR N N 120.256 0.000 1 133 83 83 ARG H H 9.424 0.000 1 134 83 83 ARG N N 121.454 0.000 1 135 84 84 ALA H H 8.581 0.000 1 136 84 84 ALA N N 130.079 0.000 1 137 85 85 GLU H H 8.526 0.000 1 138 85 85 GLU N N 121.810 0.000 1 139 86 86 ARG H H 8.418 0.000 1 140 86 86 ARG N N 115.344 0.000 1 141 87 87 GLY H H 8.039 0.000 1 142 87 87 GLY N N 106.931 0.000 1 143 88 88 ASP H H 8.150 0.000 1 144 88 88 ASP N N 119.252 0.000 1 145 89 89 LEU H H 8.318 0.000 1 146 89 89 LEU N N 119.985 0.000 1 147 90 90 VAL H H 9.094 0.000 1 148 90 90 VAL N N 126.355 0.000 1 149 91 91 ALA H H 8.693 0.000 1 150 91 91 ALA N N 129.852 0.000 1 151 92 92 PHE H H 7.963 0.000 1 152 92 92 PHE N N 115.693 0.000 1 153 93 93 SER H H 9.345 0.000 1 154 93 93 SER N N 113.970 0.000 1 155 94 94 SER H H 8.254 0.000 1 156 94 94 SER N N 116.601 0.000 1 157 95 95 ASP H H 9.278 0.000 1 158 95 95 ASP N N 122.467 0.000 1 159 96 96 GLU H H 9.127 0.000 1 160 96 96 GLU N N 121.634 0.000 1 161 97 97 GLU H H 7.869 0.000 1 162 97 97 GLU N N 119.935 0.000 1 163 98 98 LEU H H 8.442 0.000 1 164 98 98 LEU N N 121.506 0.000 1 165 99 99 THR H H 8.395 0.000 1 166 99 99 THR N N 116.066 0.000 1 167 100 100 MET H H 7.573 0.000 1 168 100 100 MET N N 120.994 0.000 1 169 101 101 ALA H H 7.939 0.000 1 170 101 101 ALA N N 123.500 0.000 1 171 102 102 MET H H 7.926 0.000 1 172 102 102 MET N N 114.882 0.000 1 173 103 103 SER H H 7.622 0.000 1 174 103 103 SER N N 116.150 0.000 1 175 104 104 TYR H H 7.245 0.000 1 176 104 104 TYR N N 118.976 0.000 1 177 105 105 VAL H H 7.305 0.000 1 178 105 105 VAL N N 121.203 0.000 1 179 106 106 LYS H H 8.663 0.000 1 180 106 106 LYS N N 126.296 0.000 1 181 107 107 ASP H H 8.610 0.000 1 182 107 107 ASP N N 121.423 0.000 1 183 108 108 ASP H H 8.274 0.000 1 184 108 108 ASP N N 113.325 0.000 1 185 109 109 ILE H H 7.865 0.000 1 186 109 109 ILE N N 118.369 0.000 1 187 110 110 PHE H H 9.205 0.000 1 188 110 110 PHE N N 128.296 0.000 1 189 111 111 ARG H H 8.723 0.000 1 190 111 111 ARG N N 128.964 0.000 1 191 112 112 ILE H H 8.598 0.000 1 192 112 112 ILE N N 114.751 0.000 1 193 113 113 TYR H H 9.131 0.000 1 194 113 113 TYR N N 121.239 0.000 1 195 114 114 ILE H H 9.928 0.000 1 196 114 114 ILE N N 127.981 0.000 1 197 115 115 LYS H H 8.623 0.000 1 198 115 115 LYS N N 123.620 0.000 1 199 116 116 GLU H H 9.171 0.000 1 200 116 116 GLU N N 124.454 0.000 1 201 117 117 LYS H H 7.855 0.000 1 202 117 117 LYS N N 128.284 0.000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 2 2 MET H H 8.484 0.000 1 2 2 2 MET N N 121.515 0.000 1 3 3 3 SER H H 8.367 0.000 1 4 3 3 SER N N 117.580 0.000 1 5 4 4 LEU H H 8.861 0.000 1 6 4 4 LEU N N 123.566 0.000 1 7 5 5 THR H H 8.530 0.000 1 8 5 5 THR N N 119.379 0.000 1 9 6 6 VAL H H 9.209 0.000 1 10 6 6 VAL N N 129.244 0.000 1 11 7 7 GLU H H 8.457 0.000 1 12 7 7 GLU N N 127.298 0.000 1 13 8 8 ALA H H 9.050 0.000 1 14 8 8 ALA N N 126.585 0.000 1 15 9 9 TYR H H 8.960 0.000 1 16 9 9 TYR N N 122.354 0.000 1 17 10 10 LEU H H 8.950 0.000 1 18 10 10 LEU N N 126.700 0.000 1 19 11 11 LEU H H 8.916 0.000 1 20 11 11 LEU N N 128.319 0.000 1 21 12 12 GLY H H 8.572 0.000 1 22 12 12 GLY N N 109.890 0.000 1 23 13 13 LYS H H 8.657 0.000 1 24 13 13 LYS N N 123.188 0.000 1 25 14 14 GLU H H 8.659 0.000 1 26 14 14 GLU N N 119.088 0.000 1 27 15 15 GLU H H 8.366 0.000 1 28 15 15 GLU N N 115.870 0.000 1 29 16 16 ALA H H 7.741 0.000 1 30 16 16 ALA N N 121.125 0.000 1 31 17 17 ALA H H 8.651 0.000 1 32 17 17 ALA N N 124.032 0.000 1 33 18 18 ARG H H 9.056 0.000 1 34 18 18 ARG N N 122.563 0.000 1 35 19 19 GLU H H 7.687 0.000 1 36 19 19 GLU N N 117.584 0.000 1 37 21 21 ARG H H 8.959 0.000 1 38 21 21 ARG N N 125.870 0.000 1 39 22 22 ARG H H 8.576 0.000 1 40 22 22 ARG N N 121.041 0.000 1 41 23 23 PHE H H 8.880 0.000 1 42 23 23 PHE N N 118.253 0.000 1 43 24 24 SER H H 8.790 0.000 1 44 24 24 SER N N 116.267 0.000 1 45 25 25 PHE H H 9.074 0.000 1 46 25 25 PHE N N 125.972 0.000 1 47 26 26 SER H H 7.754 0.000 1 48 26 26 SER N N 121.145 0.000 1 49 27 27 PHE H H 8.667 0.000 1 50 27 27 PHE N N 124.032 0.000 1 51 28 28 SER H H 8.099 0.000 1 52 28 28 SER N N 116.915 0.000 1 53 30 30 GLU H H 8.256 0.000 1 54 30 30 GLU N N 121.286 0.000 1 55 32 32 GLU H H 8.609 0.000 1 56 32 32 GLU N N 120.015 0.000 1 57 33 33 ALA H H 8.236 0.000 1 58 33 33 ALA N N 124.030 0.000 1 59 34 34 GLU H H 8.303 0.000 1 60 34 34 GLU N N 118.561 0.000 1 61 35 35 ALA H H 8.115 0.000 1 62 35 35 ALA N N 123.623 0.000 1 63 36 36 ALA H H 8.110 0.000 1 64 36 36 ALA N N 122.465 0.000 1 65 37 37 ALA H H 8.168 0.000 1 66 37 37 ALA N N 122.647 0.000 1 67 38 38 GLY H H 8.097 0.000 1 68 38 38 GLY N N 108.528 0.000 1 69 40 40 GLY H H 8.877 0.000 1 70 40 40 GLY N N 111.010 0.000 1 71 42 42 SER H H 8.907 0.000 1 72 42 42 SER N N 113.672 0.000 1 73 43 43 GLU H H 8.473 0.000 1 74 43 43 GLU N N 123.457 0.000 1 75 44 44 ARG H H 8.624 0.000 1 76 44 44 ARG N N 118.949 0.000 1 77 45 45 LEU H H 8.731 0.000 1 78 45 45 LEU N N 122.623 0.000 1 79 46 46 LEU H H 8.689 0.000 1 80 46 46 LEU N N 118.388 0.000 1 81 47 47 SER H H 8.456 0.000 1 82 47 47 SER N N 116.598 0.000 1 83 48 48 ARG H H 7.666 0.000 1 84 48 48 ARG N N 122.486 0.000 1 85 49 49 VAL H H 7.952 0.000 1 86 49 49 VAL N N 118.538 0.000 1 87 50 50 ALA H H 7.475 0.000 1 88 50 50 ALA N N 118.583 0.000 1 89 51 51 VAL H H 7.136 0.000 1 90 51 51 VAL N N 113.914 0.000 1 91 52 52 LEU H H 7.473 0.000 1 92 52 52 LEU N N 119.996 0.000 1 93 53 53 PHE H H 7.333 0.000 1 94 53 53 PHE N N 116.292 0.000 1 95 55 55 ALA H H 8.297 0.000 1 96 55 55 ALA N N 118.977 0.000 1 97 56 56 LEU H H 8.006 0.000 1 98 56 56 LEU N N 117.988 0.000 1 99 57 57 ARG H H 8.775 0.000 1 100 57 57 ARG N N 121.906 0.000 1 101 59 59 GLY H H 8.767 0.000 1 102 59 59 GLY N N 113.484 0.000 1 103 60 60 GLY H H 8.664 0.000 1 104 60 60 GLY N N 107.822 0.000 1 105 61 61 PHE H H 7.251 0.000 1 106 61 61 PHE N N 115.018 0.000 1 107 62 62 GLN H H 9.277 0.000 1 108 62 62 GLN N N 120.683 0.000 1 109 63 63 ALA H H 9.514 0.000 1 110 63 63 ALA N N 131.019 0.000 1 111 65 65 TYR H H 9.333 0.000 1 112 65 65 TYR N N 120.231 0.000 1 113 66 66 ARG H H 9.346 0.000 1 114 66 66 ARG N N 122.626 0.000 1 115 67 67 ASP H H 8.150 0.000 1 116 67 67 ASP N N 126.218 0.000 1 117 68 68 GLU H H 10.157 0.000 1 118 68 68 GLU N N 118.825 0.000 1 119 69 69 ASP H H 7.717 0.000 1 120 69 69 ASP N N 120.884 0.000 1 121 70 70 GLY H H 8.250 0.000 1 122 70 70 GLY N N 108.273 0.000 1 123 71 71 ASP H H 7.391 0.000 1 124 71 71 ASP N N 119.654 0.000 1 125 72 72 LEU H H 8.133 0.000 1 126 72 72 LEU N N 118.563 0.000 1 127 73 73 VAL H H 9.234 0.000 1 128 73 73 VAL N N 129.262 0.000 1 129 74 74 ALA H H 8.602 0.000 1 130 74 74 ALA N N 130.761 0.000 1 131 75 75 PHE H H 7.848 0.000 1 132 75 75 PHE N N 112.207 0.000 1 133 76 76 SER H H 8.757 0.000 1 134 76 76 SER N N 113.356 0.000 1 135 77 77 SER H H 7.953 0.000 1 136 77 77 SER N N 114.024 0.000 1 137 78 78 ASP H H 9.413 0.000 1 138 78 78 ASP N N 123.450 0.000 1 139 79 79 GLU H H 9.248 0.000 1 140 79 79 GLU N N 121.626 0.000 1 141 80 80 GLU H H 7.718 0.000 1 142 80 80 GLU N N 118.688 0.000 1 143 81 81 LEU H H 8.477 0.000 1 144 81 81 LEU N N 121.284 0.000 1 145 82 82 THR H H 8.304 0.000 1 146 82 82 THR N N 114.756 0.000 1 147 83 83 MET H H 7.373 0.000 1 148 83 83 MET N N 121.501 0.000 1 149 84 84 ALA H H 8.019 0.000 1 150 84 84 ALA N N 123.189 0.000 1 151 85 85 MET H H 7.461 0.000 1 152 85 85 MET N N 113.340 0.000 1 153 86 86 SER H H 7.569 0.000 1 154 86 86 SER N N 115.441 0.000 1 155 87 87 TYR H H 7.785 0.000 1 156 87 87 TYR N N 118.820 0.000 1 157 88 88 VAL H H 7.081 0.000 1 158 88 88 VAL N N 122.554 0.000 1 159 89 89 LYS H H 8.376 0.000 1 160 89 89 LYS N N 128.140 0.000 1 161 90 90 ASP H H 9.157 0.000 1 162 90 90 ASP N N 125.023 0.000 1 163 91 91 ASP H H 8.418 0.000 1 164 91 91 ASP N N 110.499 0.000 1 165 92 92 ILE H H 7.889 0.000 1 166 92 92 ILE N N 119.517 0.000 1 167 93 93 PHE H H 9.200 0.000 1 168 93 93 PHE N N 130.325 0.000 1 169 94 94 ALA H H 8.639 0.000 1 170 94 94 ALA N N 132.196 0.000 1 171 95 95 ILE H H 8.622 0.000 1 172 95 95 ILE N N 113.759 0.000 1 173 96 96 TYR H H 9.161 0.000 1 174 96 96 TYR N N 120.160 0.000 1 175 97 97 ILE H H 10.007 0.000 1 176 97 97 ILE N N 128.518 0.000 1 177 98 98 LYS H H 8.736 0.000 1 178 98 98 LYS N N 123.477 0.000 1 179 99 99 GLU H H 9.132 0.000 1 180 99 99 GLU N N 124.178 0.000 1 181 100 100 LYS H H 7.845 0.000 1 182 100 100 LYS N N 128.398 0.000 1 stop_ save_