data_5076 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignment of the unfolded states of Cold Shock Domain of the human YB-1 protein ; _BMRB_accession_number 5076 _BMRB_flat_file_name bmr5076.str _Entry_type original _Submission_date 2001-07-10 _Accession_date 2001-07-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The data reported here represent the unfolded states of the single stranded DNA binding cold shock domain fragment (methionine plus residues 52-129) of the human Y box protein YB1 as present in solution. No denaturants are added to the samples. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kloks Cathelijne P.A.M. . 2 Hoffmann Astrid . . 3 Omichinski James G. . 4 Vuister Geerten W. . 5 Hilbers Cornelis W. . 6 Grzesiek Stephan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 coupling_constants 3 T1_relaxation 6 heteronucl_NOE 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 "13C chemical shifts" 60 "15N chemical shifts" 42 "coupling constants" 17 "T1 relaxation values" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-11-19 update author 'new data in chemical shift tables' stop_ loop_ _Related_BMRB_accession_number _Relationship 4147 'data for folded protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99052121 _PubMed_ID 9835056 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kloks Cathelijne P.A.M. . 2 Hoffmann Astrid . . 3 Omichinski James G. . 4 Vuister Geerten W. . 5 Hilbers Cornelis W. . 6 Grzesiek Stephan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 463 _Page_last 464 _Year 1998 _Details . loop_ _Keyword 'cold shock domain' 'NMR assignments' 'OB fold' 'Y-box protein' unfolded stop_ save_ ################################## # Molecular system description # ################################## save_system_YB1-CSD _Saveframe_category molecular_system _Mol_system_name 'Cold Shock domain' _Abbreviation_common YB1-CSD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cold Shock domain' $YB1-CSD stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YB1-CSD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cold Shock domain' _Abbreviation_common YB1-CSD _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MKKVIATKVLGTVKWFNVRN GYGFINRNDTKEDVFVHQTA IKKNNPRKYLRSVGDGETVE FDVVEGEKGAEAANVTGPG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 VAL 5 ILE 6 ALA 7 THR 8 LYS 9 VAL 10 LEU 11 GLY 12 THR 13 VAL 14 LYS 15 TRP 16 PHE 17 ASN 18 VAL 19 ARG 20 ASN 21 GLY 22 TYR 23 GLY 24 PHE 25 ILE 26 ASN 27 ARG 28 ASN 29 ASP 30 THR 31 LYS 32 GLU 33 ASP 34 VAL 35 PHE 36 VAL 37 HIS 38 GLN 39 THR 40 ALA 41 ILE 42 LYS 43 LYS 44 ASN 45 ASN 46 PRO 47 ARG 48 LYS 49 TYR 50 LEU 51 ARG 52 SER 53 VAL 54 GLY 55 ASP 56 GLY 57 GLU 58 THR 59 VAL 60 GLU 61 PHE 62 ASP 63 VAL 64 VAL 65 GLU 66 GLY 67 GLU 68 LYS 69 GLY 70 ALA 71 GLU 72 ALA 73 ALA 74 ASN 75 VAL 76 THR 77 GLY 78 PRO 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 17225 CSD 100.00 79 100.00 100.00 1.65e-48 BMRB 4147 YB1-CSD 100.00 79 100.00 100.00 1.65e-48 PDB 1H95 "Solution Structure Of The Single-Stranded Dna-Binding Cold Shock Domain (Csd) Of Human Y-Box Protein 1 (Yb1) Determined By Nmr " 100.00 79 100.00 100.00 1.65e-48 DBJ BAA02569 "DNA binding protein B [Rattus sp.]" 98.73 322 100.00 100.00 3.39e-47 DBJ BAA03376 "dbpA murine homologue [Mus musculus domesticus]" 97.47 308 98.70 100.00 6.54e-43 DBJ BAA05380 "unnamed protein product [Gallus gallus]" 98.73 326 100.00 100.00 5.18e-47 DBJ BAA19849 "Y box protein 1 [Carassius auratus]" 98.73 311 100.00 100.00 4.48e-47 DBJ BAC45236 "Y-box binding protein [Oryzias latipes]" 98.73 306 100.00 100.00 5.43e-47 EMBL CAA40847 "Y box-binbing protein [Mus musculus]" 98.73 321 100.00 100.00 2.95e-47 EMBL CAA42778 "YB3 [Xenopus laevis]" 98.73 305 100.00 100.00 4.97e-47 EMBL CAA51261 "cold shock domain protein A [Homo sapiens]" 97.47 372 98.70 100.00 4.16e-46 EMBL CAA64631 "DNA-binding protein [Homo sapiens]" 97.47 372 98.70 100.00 4.16e-46 EMBL CAB46826 "DNA binding protein [Canis lupus familiaris]" 78.48 96 98.39 100.00 8.91e-35 GB AAA02573 "YB-1 protein [Gallus gallus]" 98.73 321 100.00 100.00 3.89e-47 GB AAA20871 "similar to dbpB protein [Homo sapiens]" 98.73 324 100.00 100.00 3.83e-47 GB AAA21677 "transcription factor EF1(A) [Bos taurus]" 72.15 110 100.00 100.00 4.24e-33 GB AAA30497 "transcription factor EF1(A) [Bos taurus]" 98.73 324 100.00 100.00 3.83e-47 GB AAA35749 "DNA-binding protein A, partial [Homo sapiens]" 97.47 412 98.70 100.00 8.55e-43 PRF 2210343A "nicotinic acetylcholine receptor repressor" 97.47 361 98.70 100.00 5.13e-46 REF NP_001003127 "DNA-binding protein A [Canis lupus familiaris]" 97.47 304 97.40 98.70 3.22e-46 REF NP_001016677 "Y box binding protein 1 [Xenopus (Silurana) tropicalis]" 98.73 306 100.00 100.00 5.60e-47 REF NP_001076254 "nuclease-sensitive element-binding protein 1 [Oryctolagus cuniculus]" 98.73 324 100.00 100.00 3.67e-47 REF NP_001079367 "nuclease-sensitive element-binding protein 1 [Xenopus laevis]" 97.47 303 100.00 100.00 2.19e-46 REF NP_001080330 "B box-binding protein [Xenopus laevis]" 98.73 305 100.00 100.00 4.97e-47 SP P16989 "RecName: Full=Y-box-binding protein 3; AltName: Full=Cold shock domain-containing protein A; AltName: Full=DNA-binding protein " 97.47 372 98.70 100.00 4.16e-46 SP P21573 "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=Y-box transcription factor; AltName: Full=Y-box-bindi" 97.47 303 100.00 100.00 2.05e-46 SP P62960 "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" 98.73 322 100.00 100.00 3.39e-47 SP P62961 "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" 98.73 322 100.00 100.00 3.39e-47 SP P67808 "RecName: Full=Nuclease-sensitive element-binding protein 1; AltName: Full=CCAAT-binding transcription factor I subunit A; Short" 98.73 324 100.00 100.00 3.83e-47 TPG DAA29365 "TPA: cold shock domain protein A [Bos taurus]" 97.47 376 98.70 100.00 9.16e-43 TPG DAA30957 "TPA: nuclease-sensitive element-binding protein 1 [Bos taurus]" 98.73 324 100.00 100.00 3.83e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YB1-CSD 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_type _Vector_name $YB1-CSD 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YB1-CSD 1.5 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YB1-CSD 1.5 mM '[U-15N; U-13C]' H2O 90 % . D2O 10 % . stop_ save_ save_sample3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YB1-CSD 1.5 mM '[U-15N; U-13C]' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_nLinLS _Saveframe_category software _Name nmrPipe _Version . _Details ; The nLinLS program is part of the nmrPipe package and is used to fit the exponential decay of the relaxation experiments. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label TSP H 1 'methyl protons' ppm 0.00 . direct . . . $entry_citation $entry_citation 'liquid NH3' N 15 nitrogen ppm 0.00 . indirect . . . $entry_citation $entry_citation 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details 'Major unfolded state of cold shock domain of human YB-1 protein.' loop_ _Sample_label $sample1 $sample2 $sample3 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cold Shock domain' _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 . 3 LYS H H 8.560 . 1 2 . 3 LYS N N 123.984 . 1 3 . 4 VAL HA H 4.18 . 1 4 . 4 VAL CA C 62.22 . 1 5 . 5 ILE H H 8.306 . 1 6 . 5 ILE CA C 60.70 . 1 7 . 5 ILE N N 125.984 . 1 8 . 6 ALA H H 8.407 . 1 9 . 6 ALA HB H 1.41 . 1 10 . 6 ALA N N 129.010 . 1 11 . 9 VAL H H 8.145 . 1 12 . 9 VAL N N 123.425 . 1 13 . 10 LEU H H 8.333 . 1 14 . 10 LEU HD2 H 0.71 . 2 15 . 10 LEU N N 122.150 . 1 16 . 11 GLY H H 8.207 . 1 17 . 11 GLY N N 108.537 . 1 18 . 12 THR H H 8.000 . 1 19 . 12 THR N N 113.90 . 1 20 . 15 TRP HD1 H 7.13 . 1 21 . 15 TRP HE1 H 10.094 . 1 22 . 15 TRP NE1 N 129.384 . 1 23 . 16 PHE H H 7.91 . 1 24 . 19 ARG H H 8.056 . 1 25 . 19 ARG N N 120.022 . 1 26 . 25 ILE H H 8.05 . 1 27 . 25 ILE HD1 H 0.73 . 1 28 . 26 ASN HD21 H 7.57 . 2 29 . 26 ASN HD22 H 6.91 . 2 30 . 27 ARG H H 8.35 . 1 31 . 28 ASN H H 8.49 . 1 32 . 29 ASP H H 8.30 . 1 33 . 29 ASP HA H 4.66 . 1 34 . 29 ASP HB2 H 2.74 . 2 35 . 29 ASP HB3 H 2.83 . 2 36 . 29 ASP CA C 54.43 . 1 37 . 29 ASP CB C 41.21 . 1 38 . 30 THR H H 8.05 . 1 39 . 30 THR CA C 61.93 . 1 40 . 30 THR CB C 69.94 . 1 41 . 30 THR N N 114.023 . 1 42 . 31 LYS H H 8.302 . 1 43 . 31 LYS N N 123.152 . 1 44 . 32 GLU H H 8.36 . 1 45 . 32 GLU N N 121.25 . 1 46 . 33 ASP H H 8.36 . 1 47 . 33 ASP HA H 4.58 . 1 48 . 33 ASP HB2 H 2.66 . 2 49 . 33 ASP CA C 54.43 . 1 50 . 33 ASP CB C 41.21 . 1 51 . 34 VAL H H 7.900 . 1 52 . 34 VAL N N 119.185 . 1 53 . 35 PHE H H 8.21 . 1 54 . 35 PHE HA H 4.74 . 1 55 . 35 PHE HB2 H 2.82 . 2 56 . 35 PHE HB3 H 3.07 . 2 57 . 35 PHE CA C 57.86 . 1 58 . 35 PHE CB C 39.50 . 1 59 . 35 PHE N N 122.48 . 1 60 . 36 VAL H H 7.89 . 1 61 . 36 VAL HA H 3.99 . 1 62 . 36 VAL N N 121.32 . 1 63 . 40 ALA H H 8.156 . 1 64 . 40 ALA HA H 3.81 . 1 65 . 40 ALA CA C 56.64 . 1 66 . 40 ALA CB C 19.32 . 1 67 . 40 ALA N N 114.747 . 1 68 . 41 ILE H H 7.962 . 1 69 . 41 ILE HD1 H 0.77 . 1 70 . 41 ILE CA C 61.76 . 1 71 . 41 ILE CB C 37.40 . 1 72 . 41 ILE N N 119.673 . 1 73 . 42 LYS H H 8.801 . 1 74 . 42 LYS N N 129.775 . 1 75 . 50 LEU H H 8.11 . 1 76 . 54 GLY HA3 H 3.73 . 2 77 . 54 GLY HA2 H 4.26 . 2 78 . 54 GLY CA C 44.40 . 1 79 . 55 ASP H H 8.361 . 1 80 . 55 ASP HA H 4.03 . 1 81 . 55 ASP CA C 54.64 . 1 82 . 55 ASP CB C 41.20 . 1 83 . 55 ASP N N 120.104 . 1 84 . 56 GLY H H 8.357 . 1 85 . 56 GLY HA3 H 3.90 . 2 86 . 56 GLY HA2 H 4.14 . 2 87 . 56 GLY CA C 45.58 . 1 88 . 56 GLY N N 109.079 . 1 89 . 57 GLU H H 8.187 . 1 90 . 57 GLU CA C 56.47 . 1 91 . 57 GLU CB C 30.73 . 1 92 . 57 GLU CG C 36.43 . 1 93 . 57 GLU N N 120.313 . 1 94 . 58 THR H H 8.330 . 1 95 . 58 THR HG2 H 1.24 . 1 96 . 58 THR N N 115.682 . 1 97 . 59 VAL H H 8.22 . 1 98 . 60 GLU H H 8.331 . 1 99 . 60 GLU HA H 4.38 . 1 100 . 60 GLU CA C 45.46 . 1 101 . 60 GLU N N 124.084 . 1 102 . 61 PHE H H 8.229 . 1 103 . 61 PHE N N 120.686 . 1 104 . 62 ASP HA H 4.21 . 1 105 . 62 ASP CA C 54.10 . 1 106 . 63 VAL H H 8.082 . 1 107 . 63 VAL CA C 62.29 . 1 108 . 63 VAL N N 120.334 . 1 109 . 64 VAL H H 8.223 . 1 110 . 64 VAL HA H 4.12 . 1 111 . 64 VAL HB H 2.03 . 1 112 . 64 VAL HG2 H 0.89 . 2 113 . 64 VAL CA C 62.23 . 1 114 . 64 VAL N N 124.095 . 1 115 . 65 GLU H H 8.462 . 1 116 . 65 GLU HA H 4.26 . 1 117 . 65 GLU HB2 H 2.08 . 2 118 . 65 GLU HG2 H 2.23 . 2 119 . 65 GLU CA C 56.87 . 1 120 . 65 GLU CB C 30.66 . 1 121 . 65 GLU N N 124.817 . 1 122 . 66 GLY H H 8.357 . 1 123 . 66 GLY CA C 45.56 . 1 124 . 66 GLY N N 109.922 . 1 125 . 67 GLU H H 8.27 . 1 126 . 67 GLU CA C 56.67 . 1 127 . 67 GLU CB C 30.44 . 1 128 . 67 GLU CG C 36.43 . 1 129 . 68 LYS HA H 4.34 . 1 130 . 68 LYS HB2 H 1.87 . 2 131 . 68 LYS CA C 56.70 . 1 132 . 68 LYS CB C 33.00 . 1 133 . 68 LYS CG C 25.28 . 1 134 . 69 GLY H H 8.436 . 1 135 . 69 GLY HA3 H 3.90 . 1 136 . 69 GLY HA2 H 3.90 . 1 137 . 69 GLY CA C 45.39 . 1 138 . 69 GLY N N 110.096 . 1 139 . 70 ALA H H 8.167 . 1 140 . 70 ALA HA H 4.30 . 1 141 . 70 ALA CA C 52.74 . 1 142 . 70 ALA CB C 19.36 . 1 143 . 70 ALA N N 123.755 . 1 144 . 71 GLU H H 8.46 . 1 145 . 71 GLU HA H 4.24 . 1 146 . 71 GLU HB2 H 2.10 . 2 147 . 71 GLU HB3 H 1.98 . 2 148 . 71 GLU CA C 56.87 . 1 149 . 71 GLU CB C 30.21 . 1 150 . 71 GLU CG C 36.39 . 1 151 . 71 GLU N N 119.68 . 1 152 . 72 ALA H H 8.197 . 1 153 . 72 ALA HA H 4.29 . 1 154 . 72 ALA HB H 1.43 . 1 155 . 72 ALA CA C 52.56 . 1 156 . 72 ALA CB C 19.34 . 1 157 . 72 ALA N N 124.674 . 1 158 . 73 ALA H H 8.148 . 1 159 . 73 ALA CA C 52.59 . 1 160 . 73 ALA CB C 19.39 . 1 161 . 73 ALA N N 122.547 . 1 162 . 74 ASN H H 9.291 . 1 163 . 74 ASN N N 118.058 . 1 164 . 75 VAL H H 9.55 . 1 165 . 75 VAL HA H 4.26 . 1 166 . 75 VAL CA C 65.52 . 1 167 . 75 VAL CB C 32.76 . 1 168 . 75 VAL N N 117.135 . 1 169 . 76 THR H H 8.22 . 1 170 . 76 THR HA H 4.41 . 1 171 . 76 THR CA C 61.80 . 1 172 . 76 THR CB C 70.03 . 1 173 . 77 GLY CA C 44.71 . 1 174 . 78 PRO HA H 4.46 . 1 175 . 78 PRO HB2 H 2.07 . 2 176 . 78 PRO HB3 H 2.27 . 2 177 . 78 PRO HD2 H 3.66 . 2 178 . 78 PRO HD3 H 3.58 . 2 179 . 78 PRO CA C 63.45 . 1 180 . 78 PRO CB C 32.35 . 1 181 . 78 PRO CG C 27.33 . 1 182 . 79 GLY H H 8.015 . 1 183 . 79 GLY HA2 H 3.75 . 2 184 . 79 GLY CA C 46.36 . 1 185 . 79 GLY N N 115.347 . 1 stop_ save_ save_assigned_chemical_shifts_two _Saveframe_category assigned_chemical_shifts _Details 'Minor unfolded state of cold shock domain of human YB-1 protein.' loop_ _Sample_label $sample1 $sample2 $sample3 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cold Shock domain' _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 . 11 GLY H H 8.32 . 1 2 . 11 GLY N N 109.48 . 1 3 . 42 LYS H H 8.826 . 1 4 . 42 LYS HA H 4.28 . 1 5 . 42 LYS CB C 32.93 . 1 6 . 42 LYS N N 129.264 . 1 7 . 71 GLU H H 8.359 . 1 8 . 71 GLU N N 121.627 . 1 9 . 74 ASN H H 8.333 . 1 10 . 74 ASN N N 117.824 . 1 11 . 78 PRO HA H 4.64 . 1 12 . 78 PRO CA C 63.10 . 1 13 . 78 PRO CB C 34.56 . 1 14 . 79 GLY H H 8.240 . 1 15 . 79 GLY HA2 H 3.76 . 2 16 . 79 GLY CA C 46.41 . 1 17 . 79 GLY N N 116.715 . 1 stop_ save_ save_assigned_chemical_shifts_three _Saveframe_category assigned_chemical_shifts _Details 'Additional minor unfolded state of cold shock domain of human YB-1 protein.' loop_ _Sample_label $sample1 $sample2 $sample3 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cold Shock domain' _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 . 78 PRO HA H 4.77 . 1 2 . 78 PRO CA C 62.50 . 1 3 . 78 PRO CB C 34.90 . 1 4 . 79 GLY H H 8.410 . 1 5 . 79 GLY HA2 H 3.59 . 2 6 . 79 GLY CA C 46.41 . 1 7 . 79 GLY N N 116.806 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_3jhnha_major_unfolded_state _Saveframe_category coupling_constants _Details 'The theoretical correction factor is 5%.' loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H . _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 19 ARG HA 19 ARG H 7.8 . . . 2 3JHNHA 34 VAL HA 34 VAL H 7.2 . . . 3 3JHNHA 41 ILE HA 41 ILE H 7.5 . . . 4 3JHNHA 42 LYS HA 42 LYS H 7.1 . . . 5 3JHNHA 57 GLU HA 57 GLU H 6.2 . . . 6 3JHNHA 60 GLU HA 60 GLU H 6.8 . . . 7 3JHNHA 61 PHE HA 61 PHE H 6.7 . . . 8 3JHNHA 63 VAL HA 63 VAL H 7.6 . . . 9 3JHNHA 65 GLU HA 65 GLU H 6.2 . . . 10 3JHNHA 66 GLY HA 66 GLY H 8.3 . . . 11 3JHNHA 69 GLY HA 69 GLY H 10.8 . . . 12 3JHNHA 71 GLU HA 71 GLU H 6.8 . . . 13 3JHNHA 72 ALA HA 72 ALA H 5.9 . . . 14 3JHNHA 79 GLY HA 79 GLY H 7.3 . . . stop_ save_ save_coupling_constants_3jhnha_minor_unfolded_state _Saveframe_category coupling_constants _Details 'The theoretical correction factor is 5%.' loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H . _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 42 LYS HA 42 LYS H 9.8 . . . 2 3JHNHA 79 GLY HA 79 GLY H 7.3 . . . stop_ save_ save_coupling_constants_3jhnha_extra_minor_unfolded_state _Saveframe_category coupling_constants _Details 'The theoretical correction factor is 5%.' loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H . _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 79 GLY HA 79 GLY H 7.4 . . . stop_ save_ save_T1_relaxation_500_major_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 recorded at 11.7 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LYS N 515.692 29.290 2 5 ILE N 549.484 30.301 3 6 ALA N 671.935 39.272 4 9 VAL N 625.321 36.926 5 10 LEU N 579.837 29.777 6 11 GLY N 552.510 33.449 7 19 ARG N 618.837 33.887 8 31 LYS N 610.034 32.190 9 34 VAL N 537.940 29.390 10 41 ILE N 551.146 30.428 11 42 LYS N 475.862 22.304 12 55 ASP N 485.224 25.895 13 56 GLY N 611.209 33.588 14 57 GLU N 496.520 26.054 15 58 THR N 559.519 31.551 16 60 GLU N 534.538 27.019 17 61 PHE N 533.758 28.413 18 63 VAL N 518.215 28.526 19 64 VAL N 518.793 27.059 20 65 GLU N 537.918 29.306 21 66 GLY N 591.199 33.361 22 69 GLY N 704.190 37.321 23 70 ALA N 531.213 27.478 24 71 GLU N 585.299 31.872 25 72 ALA N 595.050 32.676 26 73 ALA N 603.182 33.395 27 74 ASN N 495.442 30.043 28 79 GLY N 1008.162 53.793 stop_ save_ save_T1_relaxation_750_major_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 at 17.6 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LYS N 612.026 34.836 2 5 ILE N 610.294 33.539 3 6 ALA N 661.145 38.511 4 9 VAL N 580.784 31.985 5 10 LEU N 583.648 32.041 6 11 GLY N 528.682 26.944 7 19 ARG N 578.780 32.895 8 31 LYS N 629.362 35.081 9 34 VAL N 578.524 32.445 10 40 ALA N 489.146 27.260 11 41 ILE N 578.455 32.653 12 42 LYS N 542.073 33.861 13 55 ASP N 604.203 33.311 14 56 GLY N 620.521 35.971 15 57 GLU N 560.857 30.887 16 58 THR N 579.333 32.378 17 60 GLU N 593.187 33.309 18 61 PHE N 601.452 32.585 19 63 VAL N 610.360 34.635 20 64 VAL N 571.168 32.116 21 65 GLU N 603.392 33.682 22 66 GLY N 630.871 35.289 23 69 GLY N 580.940 32.940 24 70 ALA N 562.111 31.844 25 71 GLU N 617.461 35.775 26 72 ALA N 630.278 35.551 27 73 ALA N 634.022 36.680 28 74 ASN N 671.207 38.871 29 79 GLY N 1013.494 55.517 stop_ save_ save_T1_relaxation_500_minor_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 recorded at 11.7 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 42 LYS N 455.534 27.094 2 79 GLY N 803.418 37.428 stop_ save_ save_T1_relaxation_500_extra_minor_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 recorded at 11.7 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 79 GLY N 533.242 31.262 stop_ save_ save_T1_relaxation_750_minor_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 at 17.6 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 42 LYS N 518.547 28.451 2 79 GLY N 1027.701 57.872 stop_ save_ save_T1_relaxation_750_extra_minor_unfolded_state _Saveframe_category T1_relaxation _Details ; T1 at 17.6 Tesla ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Cold Shock domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 79 GLY N 720.900 34.486 stop_ save_ save_heteronuclear_NOE_500_major_unfolded_state _Saveframe_category heteronuclear_NOE _Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LYS 0.0889 0.03 5 ILE -0.4382 0.03 6 ALA -0.1728 0.03 9 VAL 0.2075 0.03 10 LEU 0.0729 0.03 11 GLY -0.1476 0.03 19 ARG -0.0976 0.03 31 LYS 0.0074 0.03 34 VAL 0.1539 0.03 40 ALA 0.3718 0.03 41 ILE 0.0994 0.03 55 ASP 0.5727 0.03 56 GLY 0.1186 0.03 57 GLU 0.3126 0.03 60 GLU 0.0791 0.03 61 PHE 0.1849 0.03 63 VAL 0.2176 0.03 64 VAL 0.1771 0.03 65 GLU 0.1874 0.03 66 GLY 0.0581 0.03 69 GLY -0.3110 0.03 70 ALA 0.1954 0.03 71 GLU -0.0356 0.03 72 ALA 0.2344 0.03 73 ALA 0.0110 0.03 74 ASN 0.5671 0.03 79 GLY -0.8584 0.03 stop_ save_ save_heteronuclear_NOE_500_minor_unfolded_state _Saveframe_category heteronuclear_NOE _Details ; Ratio peak height presat experiment and peak height reference experiment. Heteronuclear noe defined as Intensity of presaturated experiment. Divided by Intensity of the reference spectrum, recorded at 11.7 Tesla. ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value . _NOE_reference_description 'not used' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 79 GLY -0.3184 0.03 stop_ save_