data_27681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for HSPB1 containing residues 1-176 ; _BMRB_accession_number 27681 _BMRB_flat_file_name bmr27681.str _Entry_type original _Submission_date 2018-11-05 _Accession_date 2018-11-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; H, N, C, CA, and CB assignments for human HSPB1 phosphomimetic (Ser15Asp, Ser78Asp, Ser82Asp) construct containing residues 1-176 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clouser Amanda F. . 2 Klevit Rachel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 100 "13C chemical shifts" 294 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-10 original BMRB . stop_ _Original_release_date 2018-11-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interplay of disordered and ordered regions of a human small heat shock protein yields an ensemble of 'quasi-ordered' states ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31573509 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clouser Amanda F. . 2 Baughman 'Hannah Er' E. . 3 Basanta Benjamin . . 4 Guttman Miklos . . 5 Nath Abhinav . . 6 Klevit Rachel E. . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 8 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e50259 _Page_last e50259 _Year 2019 _Details . loop_ _Keyword 'CMT disease' HSPB1 IDP phosphorylation sHSP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HSPB1 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HSPB1, Subunit 1' $HSPB1 'HSPB1, Subunit 2' $HSPB1 stop_ _System_molecular_weight 39706 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'HSPB1, Subunit 1' 1 'HSPB1, Subunit 2' stop_ loop_ _Biological_function Chaperone 'Small heat shock protein (sHSP)' stop_ _Database_query_date . _Details 'Disulfide linked homodimer' save_ ######################## # Monomeric polymers # ######################## save_HSPB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HSPB1 _Molecular_mass 19853 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function Chaperone 'Small heat shock protein (sHSP)' stop_ _Details ; First details: Conformational heterogeneity is observed throughout the protein- multiple assignments for these residues are provided. Second details: The two chemical shift tables correspond to predominant and alternate conformations of the protein based on differences in intensities between peaks assigned to the same residue. Only for residues 64/65 and 66-69 are alternate assignments correlated to the same conformation. ; ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MTERRVPFSLLRGPDWDPFR DWYPHSRLFDQAFGLPRLPE EWSQWLGGSSWPGYVRPLPP AAIESPAVAAPAYSRALDRQ LDSGVSEIRHTADRWRVSLD VNHFAPDELTVKTKDGVVEI TGKHEERQDEHGYISRCFTR KYTLPPGVDPTQVSSSLSPE GTLTVEAPMPKLATQS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 GLU 4 4 ARG 5 5 ARG 6 6 VAL 7 7 PRO 8 8 PHE 9 9 SER 10 10 LEU 11 11 LEU 12 12 ARG 13 13 GLY 14 14 PRO 15 15 ASP 16 16 TRP 17 17 ASP 18 18 PRO 19 19 PHE 20 20 ARG 21 21 ASP 22 22 TRP 23 23 TYR 24 24 PRO 25 25 HIS 26 26 SER 27 27 ARG 28 28 LEU 29 29 PHE 30 30 ASP 31 31 GLN 32 32 ALA 33 33 PHE 34 34 GLY 35 35 LEU 36 36 PRO 37 37 ARG 38 38 LEU 39 39 PRO 40 40 GLU 41 41 GLU 42 42 TRP 43 43 SER 44 44 GLN 45 45 TRP 46 46 LEU 47 47 GLY 48 48 GLY 49 49 SER 50 50 SER 51 51 TRP 52 52 PRO 53 53 GLY 54 54 TYR 55 55 VAL 56 56 ARG 57 57 PRO 58 58 LEU 59 59 PRO 60 60 PRO 61 61 ALA 62 62 ALA 63 63 ILE 64 64 GLU 65 65 SER 66 66 PRO 67 67 ALA 68 68 VAL 69 69 ALA 70 70 ALA 71 71 PRO 72 72 ALA 73 73 TYR 74 74 SER 75 75 ARG 76 76 ALA 77 77 LEU 78 78 ASP 79 79 ARG 80 80 GLN 81 81 LEU 82 82 ASP 83 83 SER 84 84 GLY 85 85 VAL 86 86 SER 87 87 GLU 88 88 ILE 89 89 ARG 90 90 HIS 91 91 THR 92 92 ALA 93 93 ASP 94 94 ARG 95 95 TRP 96 96 ARG 97 97 VAL 98 98 SER 99 99 LEU 100 100 ASP 101 101 VAL 102 102 ASN 103 103 HIS 104 104 PHE 105 105 ALA 106 106 PRO 107 107 ASP 108 108 GLU 109 109 LEU 110 110 THR 111 111 VAL 112 112 LYS 113 113 THR 114 114 LYS 115 115 ASP 116 116 GLY 117 117 VAL 118 118 VAL 119 119 GLU 120 120 ILE 121 121 THR 122 122 GLY 123 123 LYS 124 124 HIS 125 125 GLU 126 126 GLU 127 127 ARG 128 128 GLN 129 129 ASP 130 130 GLU 131 131 HIS 132 132 GLY 133 133 TYR 134 134 ILE 135 135 SER 136 136 ARG 137 137 CYS 138 138 PHE 139 139 THR 140 140 ARG 141 141 LYS 142 142 TYR 143 143 THR 144 144 LEU 145 145 PRO 146 146 PRO 147 147 GLY 148 148 VAL 149 149 ASP 150 150 PRO 151 151 THR 152 152 GLN 153 153 VAL 154 154 SER 155 155 SER 156 156 SER 157 157 LEU 158 158 SER 159 159 PRO 160 160 GLU 161 161 GLY 162 162 THR 163 163 LEU 164 164 THR 165 165 VAL 166 166 GLU 167 167 ALA 168 168 PRO 169 169 MET 170 170 PRO 171 171 LYS 172 172 LEU 173 173 ALA 174 174 THR 175 175 GLN 176 176 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HSPB1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HSPB1 'recombinant technology' . Escherichia coli . pET151d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Deuteration levels of ~80% and ~99% were used in different samples' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HSPB1 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Deuteration levels of ~80% and ~99% were used in different samples' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HSPB1 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCOCANNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCANNH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _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' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 303 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0 external 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCOCANNH' '3D HN(CA)CO' '3D HNCB' 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 'HSPB1, Subunit 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 34 34 GLY C C 176.137 . . 2 34 34 GLY CA C 44.840 . . 3 35 35 LEU H H 8.686 . . 4 35 35 LEU CA C 53.648 . . 5 35 35 LEU N N 127.056 . . 6 46 46 LEU C C 177.654 . . 7 46 46 LEU CA C 53.730 . . 8 47 47 GLY H H 7.812 . . 9 47 47 GLY C C 177.081 . . 10 47 47 GLY CA C 44.580 . . 11 47 47 GLY N N 110.904 . . 12 48 48 GLY H H 8.139 . . 13 48 48 GLY C C 174.815 . . 14 48 48 GLY CA C 44.550 . . 15 48 48 GLY N N 111.260 . . 16 49 49 SER H H 7.705 . . 17 49 49 SER CA C 58.083 . . 18 49 49 SER CB C 63.547 . . 19 49 49 SER N N 117.399 . . 20 61 61 ALA C C 177.481 . . 21 62 62 ALA H H 8.076 . . 22 62 62 ALA C C 177.522 . . 23 62 62 ALA CA C 51.884 . . 24 62 62 ALA CB C 18.340 . . 25 62 62 ALA N N 123.165 . . 26 63 63 ILE H H 7.855 . . 27 63 63 ILE C C 176.152 . . 28 63 63 ILE CA C 60.677 . . 29 63 63 ILE CB C 37.824 . . 30 63 63 ILE N N 119.714 . . 31 64 64 GLU H H 8.270 . . 32 64 64 GLU C C 176.000 . . 33 64 64 GLU CA C 55.998 . . 34 64 64 GLU CB C 29.435 . . 35 64 64 GLU N N 124.398 . . 36 65 65 SER H H 8.143 . . 37 65 65 SER CA C 55.877 . . 38 65 65 SER CB C 62.837 . . 39 65 65 SER N N 118.262 . . 40 66 66 PRO C C 176.720 . . 41 66 66 PRO CA C 62.576 . . 42 66 66 PRO CB C 31.162 . . 43 67 67 ALA H H 8.218 . . 44 67 67 ALA C C 177.704 . . 45 67 67 ALA CA C 52.444 . . 46 67 67 ALA CB C 18.339 . . 47 67 67 ALA N N 123.807 . . 48 68 68 VAL H H 7.766 . . 49 68 68 VAL C C 175.577 . . 50 68 68 VAL CA C 61.541 . . 51 68 68 VAL CB C 31.907 . . 52 68 68 VAL N N 118.568 . . 53 69 69 ALA H H 8.106 . . 54 69 69 ALA C C 176.795 . . 55 69 69 ALA CA C 51.659 . . 56 69 69 ALA CB C 18.391 . . 57 69 69 ALA N N 127.297 . . 58 70 70 ALA H H 8.041 . . 59 70 70 ALA C C 175.456 . . 60 70 70 ALA CA C 49.999 . . 61 70 70 ALA CB C 17.278 . . 62 70 70 ALA N N 124.738 . . 63 71 71 PRO C C 176.648 . . 64 71 71 PRO CA C 62.649 . . 65 71 71 PRO CB C 30.972 . . 66 72 72 ALA H H 8.152 . . 67 72 72 ALA C C 177.583 . . 68 72 72 ALA CA C 51.973 . . 69 72 72 ALA CB C 18.288 . . 70 72 72 ALA N N 123.776 . . 71 73 73 TYR H H 7.855 . . 72 73 73 TYR C C 175.946 . . 73 73 73 TYR CA C 57.467 . . 74 73 73 TYR CB C 37.790 . . 75 73 73 TYR N N 118.512 . . 76 74 74 SER H H 7.927 . . 77 74 74 SER CA C 57.810 . . 78 74 74 SER CB C 63.97 . . 79 74 74 SER N N 117.420 . . 80 75 75 ARG C C 176.041 . . 81 75 75 ARG CA C 55.703 . . 82 75 75 ARG CB C 31.174 . . 83 76 76 ALA H H 8.093 . . 84 76 76 ALA C C 177.706 . . 85 76 76 ALA CA C 52.215 . . 86 76 76 ALA CB C 18.205 . . 87 76 76 ALA N N 124.559 . . 88 77 77 LEU H H 7.944 . . 89 77 77 LEU C C 177.080 . . 90 77 77 LEU CA C 54.961 . . 91 77 77 LEU CB C 41.407 . . 92 77 77 LEU N N 121.055 . . 93 78 78 ASP H H 8.103 . . 94 78 78 ASP C C 176.164 . . 95 78 78 ASP CA C 53.918 . . 96 78 78 ASP CB C 40.429 . . 97 78 78 ASP N N 120.929 . . 98 79 79 ARG H H 7.954 . . 99 79 79 ARG CA C 55.671 . . 100 79 79 ARG N N 121.432 . . 101 84 84 GLY H H 8.388 . . 102 84 84 GLY CA C 45.094 . . 103 84 84 GLY N N 110.654 . . 104 88 88 ILE C C 176.385 . . 105 88 88 ILE CA C 60.387 . . 106 89 89 ARG H H 8.201 . . 107 89 89 ARG CA C 54.618 . . 108 89 89 ARG N N 126.404 . . 109 94 94 ARG CA C 57 . . 110 95 95 TRP H H 9.054 . . 111 95 95 TRP CA C 54.9 . . 112 95 95 TRP N N 128.811 . . 113 96 96 ARG C C 173.252 . . 114 96 96 ARG CA C 55.202 . . 115 96 96 ARG CB C 32.277 . . 116 97 97 VAL H H 8.186 . . 117 97 97 VAL C C 173.290 . . 118 97 97 VAL CA C 58.823 . . 119 97 97 VAL CB C 33.930 . . 120 97 97 VAL N N 120.099 . . 121 98 98 SER H H 8.574 . . 122 98 98 SER C C 172.358 . . 123 98 98 SER CA C 57.235 . . 124 98 98 SER CB C 66.255 . . 125 98 98 SER N N 119.262 . . 126 99 99 LEU H H 9.2 . . 127 99 99 LEU C C 177.925 . . 128 99 99 LEU CA C 53.916 . . 129 99 99 LEU CB C 35.074 . . 130 99 99 LEU N N 123.253 . . 131 103 103 HIS CB C 30.268 . . 132 104 104 PHE H H 8.816 . . 133 104 104 PHE C C 173.548 . . 134 104 104 PHE CA C 57.038 . . 135 104 104 PHE CB C 40.298 . . 136 104 104 PHE N N 118.449 . . 137 105 105 ALA H H 9.251 . . 138 105 105 ALA CA C 49.722 . . 139 105 105 ALA CB C 17.766 . . 140 105 105 ALA N N 126.763 . . 141 108 108 GLU C C 174.730 . . 142 108 108 GLU CA C 55.761 . . 143 109 109 LEU H H 6.791 . . 144 109 109 LEU C C 176.257 . . 145 109 109 LEU CA C 52.655 . . 146 109 109 LEU CB C 45.977 . . 147 109 109 LEU N N 120.264 . . 148 110 110 THR H H 8.723 . . 149 110 110 THR CA C 61.070 . . 150 110 110 THR CB C 71.389 . . 151 110 110 THR N N 112.675 . . 152 111 111 VAL H H 8.954 . . 153 111 111 VAL C C 175.630 . . 154 111 111 VAL CA C 61.255 . . 155 111 111 VAL CB C 32.202 . . 156 111 111 VAL N N 124.389 . . 157 112 112 LYS H H 9.229 . . 158 112 112 LYS C C 175.218 . . 159 112 112 LYS CA C 54.691 . . 160 112 112 LYS CB C 36.823 . . 161 112 112 LYS N N 127.338 . . 162 113 113 THR H H 9.115 . . 163 113 113 THR C C 173.360 . . 164 113 113 THR CA C 59.500 . . 165 113 113 THR CB C 69.986 . . 166 113 113 THR N N 112.747 . . 167 114 114 LYS H H 8.630 . . 168 114 114 LYS C C 175.603 . . 169 114 114 LYS CA C 55.625 . . 170 114 114 LYS CB C 33.660 . . 171 114 114 LYS N N 123.575 . . 172 115 115 ASP H H 8.846 . . 173 115 115 ASP C C 175.597 . . 174 115 115 ASP CA C 55.701 . . 175 115 115 ASP CB C 39.471 . . 176 115 115 ASP N N 124.646 . . 177 116 116 GLY H H 8.619 . . 178 116 116 GLY C C 173.554 . . 179 116 116 GLY CA C 45.433 . . 180 116 116 GLY N N 106.432 . . 181 117 117 VAL H H 7.896 . . 182 117 117 VAL C C 175.656 . . 183 117 117 VAL CA C 59.741 . . 184 117 117 VAL CB C 31.910 . . 185 117 117 VAL N N 120.051 . . 186 118 118 VAL H H 9.081 . . 187 118 118 VAL C C 173.408 . . 188 118 118 VAL CA C 60.787 . . 189 118 118 VAL CB C 33.082 . . 190 118 118 VAL N N 124.586 . . 191 119 119 GLU H H 9.401 . . 192 119 119 GLU C C 175.170 . . 193 119 119 GLU CA C 53.889 . . 194 119 119 GLU CB C 32.851 . . 195 119 119 GLU N N 128.945 . . 196 120 120 ILE H H 9.668 . . 197 120 120 ILE CA C 59.606 . . 198 120 120 ILE CB C 40.788 . . 199 120 120 ILE N N 129.810 . . 200 122 122 GLY C C 172.094 . . 201 122 122 GLY CA C 43.449 . . 202 123 123 LYS H H 7.966 . . 203 123 123 LYS C C 174.598 . . 204 123 123 LYS CA C 56.322 . . 205 123 123 LYS CB C 33.988 . . 206 123 123 LYS N N 123.343 . . 207 124 124 HIS H H 8.947 . . 208 124 124 HIS C C 175.107 . . 209 124 124 HIS CA C 53.637 . . 210 124 124 HIS CB C 32.088 . . 211 124 124 HIS N N 122.209 . . 212 125 125 GLU H H 8.972 . . 213 125 125 GLU C C 176.642 . . 214 125 125 GLU CA C 54.518 . . 215 125 125 GLU CB C 29.361 . . 216 125 125 GLU N N 122.554 . . 217 126 126 GLU H H 8.727 . . 218 126 126 GLU C C 176.078 . . 219 126 126 GLU CA C 57.953 . . 220 126 126 GLU CB C 29.470 . . 221 126 126 GLU N N 121.165 . . 222 127 127 ARG H H 8.900 . . 223 127 127 ARG C C 174.736 . . 224 127 127 ARG CA C 53.863 . . 225 127 127 ARG CB C 32.447 . . 226 127 127 ARG N N 124.440 . . 227 128 128 GLN H H 8.691 . . 228 128 128 GLN C C 176.322 . . 229 128 128 GLN CA C 55.216 . . 230 128 128 GLN CB C 29.156 . . 231 128 128 GLN N N 122.709 . . 232 129 129 ASP H H 8.931 . . 233 129 129 ASP CA C 51.871 . . 234 129 129 ASP CB C 41.095 . . 235 129 129 ASP N N 128.568 . . 236 130 130 GLU H H 8.835 . . 237 130 130 GLU C C 176.911 . . 238 130 130 GLU CA C 58.53 . . 239 130 130 GLU N N 116.16 . . 240 131 131 HIS H H 7.849 . . 241 131 131 HIS C C 175.814 . . 242 131 131 HIS CA C 55.457 . . 243 131 131 HIS CB C 32.369 . . 244 131 131 HIS N N 116.188 . . 245 132 132 GLY H H 7.461 . . 246 132 132 GLY C C 170.927 . . 247 132 132 GLY CA C 45.872 . . 248 132 132 GLY N N 108.704 . . 249 133 133 TYR H H 8.497 . . 250 133 133 TYR CA C 56.594 . . 251 133 133 TYR CB C 40.969 . . 252 133 133 TYR N N 122.420 . . 253 135 135 SER C C 172.626 . . 254 136 136 ARG H H 5.868 . . 255 136 136 ARG C C 175.201 . . 256 136 136 ARG CA C 55.099 . . 257 136 136 ARG N N 115.677 . . 258 137 137 CYS H H 9.517 . . 259 137 137 CYS C C 173.301 . . 260 137 137 CYS CA C 56.339 . . 261 137 137 CYS CB C 41.150 . . 262 137 137 CYS N N 118.037 . . 263 138 138 PHE H H 8.882 . . 264 138 138 PHE C C 173.703 . . 265 138 138 PHE CA C 58.020 . . 266 138 138 PHE CB C 40.832 . . 267 138 138 PHE N N 118.769 . . 268 139 139 THR H H 8.353 . . 269 139 139 THR C C 172.705 . . 270 139 139 THR CA C 62.180 . . 271 139 139 THR CB C 71.529 . . 272 139 139 THR N N 116.144 . . 273 140 140 ARG H H 9.795 . . 274 140 140 ARG CA C 52.920 . . 275 140 140 ARG N N 129.181 . . 276 141 141 LYS C C 175.920 . . 277 141 141 LYS CA C 54.082 . . 278 141 141 LYS CB C 35.739 . . 279 142 142 TYR H H 9.297 . . 280 142 142 TYR C C 175.624 . . 281 142 142 TYR CA C 55.991 . . 282 142 142 TYR CB C 41.252 . . 283 142 142 TYR N N 121.297 . . 284 143 143 THR H H 8.979 . . 285 143 143 THR C C 174.515 . . 286 143 143 THR CA C 62.775 . . 287 143 143 THR CB C 68.673 . . 288 143 143 THR N N 119.860 . . 289 144 144 LEU H H 8.188 . . 290 144 144 LEU CA C 52.232 . . 291 144 144 LEU CB C 40.464 . . 292 144 144 LEU N N 128.597 . . 293 146 146 PRO C C 177.567 . . 294 146 146 PRO CA C 63.152 . . 295 146 146 PRO CB C 30.580 . . 296 147 147 GLY H H 8.424 . . 297 147 147 GLY C C 174.646 . . 298 147 147 GLY CA C 44.678 . . 299 147 147 GLY N N 109.763 . . 300 148 148 VAL H H 7.072 . . 301 148 148 VAL CA C 62.427 . . 302 148 148 VAL CB C 30.825 . . 303 148 148 VAL N N 120.922 . . 304 149 149 ASP H H 8.830 . . 305 149 149 ASP CA C 49.873 . . 306 149 149 ASP CB C 41.030 . . 307 149 149 ASP N N 130.817 . . 308 150 150 PRO C C 178.959 . . 309 151 151 THR H H 8.359 . . 310 151 151 THR C C 175.287 . . 311 151 151 THR CA C 64.129 . . 312 151 151 THR CB C 68.652 . . 313 151 151 THR N N 109.390 . . 314 152 152 GLN H H 8.066 . . 315 152 152 GLN C C 175.312 . . 316 152 152 GLN CA C 54.449 . . 317 152 152 GLN CB C 28.247 . . 318 152 152 GLN N N 118.634 . . 319 153 153 VAL H H 6.810 . . 320 153 153 VAL C C 175.540 . . 321 153 153 VAL CA C 62.223 . . 322 153 153 VAL CB C 30.852 . . 323 153 153 VAL N N 120.830 . . 324 154 154 SER H H 9.574 . . 325 154 154 SER C C 172.197 . . 326 154 154 SER CA C 56.849 . . 327 154 154 SER CB C 65.689 . . 328 154 154 SER N N 124.424 . . 329 155 155 SER H H 8.463 . . 330 155 155 SER CA C 56.53 . . 331 155 155 SER CB C 65.069 . . 332 155 155 SER N N 113.132 . . 333 159 159 PRO C C 175.028 . . 334 159 159 PRO CA C 61.824 . . 335 160 160 GLU H H 7.598 . . 336 160 160 GLU C C 179.855 . . 337 160 160 GLU CA C 55.037 . . 338 160 160 GLU CB C 28.311 . . 339 160 160 GLU N N 112.436 . . 340 161 161 GLY H H 7.685 . . 341 161 161 GLY C C 179.952 . . 342 161 161 GLY CA C 46.813 . . 343 161 161 GLY N N 106.68 . . 344 162 162 THR H H 7.025 . . 345 162 162 THR C C 173.899 . . 346 162 162 THR CA C 60.517 . . 347 162 162 THR N N 113.554 . . 348 163 163 LEU H H 9.459 . . 349 163 163 LEU C C 174.631 . . 350 163 163 LEU CA C 53.244 . . 351 163 163 LEU CB C 44.115 . . 352 163 163 LEU N N 135.077 . . 353 164 164 THR H H 9.454 . . 354 164 164 THR C C 174.314 . . 355 164 164 THR CA C 61.217 . . 356 164 164 THR CB C 70.002 . . 357 164 164 THR N N 124.487 . . 358 165 165 VAL H H 8.818 . . 359 165 165 VAL C C 173.023 . . 360 165 165 VAL CA C 60.630 . . 361 165 165 VAL CB C 32.583 . . 362 165 165 VAL N N 128.574 . . 363 166 166 GLU H H 9.023 . . 364 166 166 GLU CA C 53.973 . . 365 166 166 GLU CB C 34.692 . . 366 166 166 GLU N N 121.858 . . 367 167 167 ALA H H 9.373 . . 368 167 167 ALA CA C 50.082 . . 369 167 167 ALA CB C 21.403 . . 370 167 167 ALA N N 120.529 . . 371 168 168 PRO CA C 62.364 . . 372 168 168 PRO CB C 27.724 . . 373 169 169 MET H H 7.727 . . 374 169 169 MET C C 174.339 . . 375 169 169 MET CA C 51.955 . . 376 169 169 MET CB C 31.28 . . 377 169 169 MET N N 120.767 . . 378 170 170 PRO C C 176.423 . . 379 170 170 PRO CA C 62.403 . . 380 171 171 LYS H H 8.293 . . 381 171 171 LYS C C 176.573 . . 382 171 171 LYS CA C 55.623 . . 383 171 171 LYS CB C 31.881 . . 384 171 171 LYS N N 122.322 . . 385 172 172 LEU H H 8.206 . . 386 172 172 LEU C C 177.242 . . 387 172 172 LEU CA C 54.486 . . 388 172 172 LEU CB C 41.472 . . 389 172 172 LEU N N 124.636 . . 390 173 173 ALA H H 8.290 . . 391 173 173 ALA C C 177.829 . . 392 173 173 ALA CA C 52.081 . . 393 173 173 ALA CB C 18.269 . . 394 173 173 ALA N N 125.539 . . 395 174 174 THR H H 7.939 . . 396 174 174 THR C C 174.437 . . 397 174 174 THR CA C 61.312 . . 398 174 174 THR CB C 69.328 . . 399 174 174 THR N N 113.293 . . 400 175 175 GLN H H 8.242 . . 401 175 175 GLN C C 175.031 . . 402 175 175 GLN CA C 55.364 . . 403 175 175 GLN N N 123.342 . . 404 176 176 SER H H 7.950 . . 405 176 176 SER C C 178.595 . . 406 176 176 SER CA C 59.713 . . 407 176 176 SER CB C 64.163 . . 408 176 176 SER N N 123.761 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCOCANNH' '3D HN(CA)CO' '3D HNCB' 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 'HSPB1, Subunit 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 49 49 SER H H 8.276 . . 2 49 49 SER CA C 58.540 . . 3 49 49 SER CB C 64.805 . . 4 49 49 SER N N 115.063 . . 5 64 64 GLU H H 8.210 . . 6 64 64 GLU C C 175.257 . . 7 64 64 GLU CA C 55.690 . . 8 64 64 GLU CB C 29.893 . . 9 64 64 GLU N N 125.401 . . 10 65 65 SER H H 8.036 . . 11 65 65 SER CA C 55.275 . . 12 65 65 SER CB C 63.499 . . 13 65 65 SER N N 117.270 . . 14 66 66 PRO C C 175.621 . . 15 67 67 ALA H H 8.349 . . 16 67 67 ALA C C 177.585 . . 17 67 67 ALA CA C 52.176 . . 18 67 67 ALA CB C 18.205 . . 19 67 67 ALA N N 125.291 . . 20 68 68 VAL H H 8.040 . . 21 68 68 VAL C C 175.707 . . 22 68 68 VAL CA C 61.321 . . 23 68 68 VAL CB C 32.129 . . 24 68 68 VAL N N 119.639 . . 25 69 69 ALA H H 8.207 . . 26 69 69 ALA C C 176.781 . . 27 69 69 ALA CA C 51.630 . . 28 69 69 ALA CB C 18.415 . . 29 69 69 ALA N N 127.597 . . 30 110 110 THR H H 8.566 . . 31 110 110 THR CA C 61.220 . . 32 110 110 THR CB C 70.473 . . 33 110 110 THR N N 113.183 . . 34 123 123 LYS H H 7.534 . . 35 123 123 LYS CA C 58.680 . . 36 123 123 LYS CB C 28.155 . . 37 123 123 LYS N N 120.599 . . 38 148 148 VAL H H 6.992 . . 39 148 148 VAL CA C 62.400 . . 40 148 148 VAL CB C 30.975 . . 41 148 148 VAL N N 120.727 . . stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCOCANNH' '3D HN(CA)CO' '3D HNCB' 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 'HSPB1, Subunit 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 49 49 SER H H 8.276 . . 2 49 49 SER CA C 58.540 . . 3 49 49 SER CB C 64.805 . . 4 49 49 SER N N 115.063 . . 5 64 64 GLU H H 8.210 . . 6 64 64 GLU C C 175.257 . . 7 64 64 GLU CA C 55.690 . . 8 64 64 GLU CB C 29.893 . . 9 64 64 GLU N N 125.401 . . 10 65 65 SER H H 8.036 . . 11 65 65 SER CA C 55.275 . . 12 65 65 SER CB C 63.499 . . 13 65 65 SER N N 117.270 . . 14 66 66 PRO C C 175.621 . . 15 67 67 ALA H H 8.349 . . 16 67 67 ALA C C 177.585 . . 17 67 67 ALA CA C 52.176 . . 18 67 67 ALA CB C 18.205 . . 19 67 67 ALA N N 125.291 . . 20 68 68 VAL H H 8.040 . . 21 68 68 VAL C C 175.707 . . 22 68 68 VAL CA C 61.321 . . 23 68 68 VAL CB C 32.129 . . 24 68 68 VAL N N 119.639 . . 25 69 69 ALA H H 8.207 . . 26 69 69 ALA C C 176.781 . . 27 69 69 ALA CA C 51.630 . . 28 69 69 ALA CB C 18.415 . . 29 69 69 ALA N N 127.597 . . 30 110 110 THR H H 8.833 . . 31 110 110 THR CA C 61.791 . . 32 110 110 THR CB C 71.132 . . 33 110 110 THR N N 112.832 . . 34 114 114 LYS H H 8.556 . . 35 114 114 LYS CA C 55.509 . . 36 114 114 LYS CB C 33.665 . . 37 114 114 LYS N N 123.595 . . 38 123 123 LYS H H 7.093 . . 39 123 123 LYS CA C 57.763 . . 40 123 123 LYS CB C 30.464 . . 41 123 123 LYS N N 122.642 . . 42 148 148 VAL H H 6.992 . . 43 148 148 VAL CA C 62.400 . . 44 148 148 VAL CB C 30.975 . . 45 148 148 VAL N N 120.727 . . stop_ save_