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 ; 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_ _BMRB_accession_number 5076 _BMRB_flat_file_name bmr5076.str _Entry_type new _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_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 coupling_constants 3 T1_relaxation 6 T1rho_relaxation 6 heteronuclear_NOE 2 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 107 '15N chemical shifts' 42 '13C chemical shifts' 60 'coupling constants' 17 'T1 relaxation' 63 'T1rho relaxation' 63 'heteronuclear NOE' 28 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_title ; Resonance Assignment and Secondary Structure of the Cold Shock Domain of the Human YB-1 Protein ; _Citation_status published _Citation_type journal _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 _Page_first 463 _Page_last 464 _Year 1998 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 loop_ _Mol_system_component_name _Mol_label 'Cold Shock domain' $YB1-CSD stop_ _System_physical_state unfolded _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details SWISS-PROT P16991 ? . GenBank G340419 ? . stop_ 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 ############################## # 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 2008-06-26 _Sequence_homology_query_revised_last_date 2008-06-26 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 4147 "Cold Shock domain" 100.00 79 100.00 100.00 5.51e-38 PDB 1H95 "Solution Structure Of The Single-Stranded Dna-Binding Cold Shock Domain (Csd) Of Human Y-Box Protein 1 (Yb1) Determined By Nmr (10 Lowest Energy Structures)" 100.00 79 100.00 100.00 5.51e-38 DBJ BAA02569 "DNA binding protein B [Rattus sp.]" 98.73 322 100.00 100.00 3.23e-39 DBJ BAA03376 "dbpA murine homologue [Mus musculus]" 97.47 308 98.70 100.00 9.32e-36 DBJ BAA05380 "unnamed protein product [Gallus gallus]" 98.73 326 100.00 100.00 4.18e-39 DBJ BAA19849 "Y box protein 1 [Carassius auratus]" 98.73 311 100.00 100.00 4.90e-39 DBJ BAC45236 "Y-box binding protein [Oryzias latipes]" 98.73 306 100.00 100.00 6.24e-39 EMBL CAA40847 "Y box-binbing protein [Mus musculus]" 98.73 321 100.00 100.00 2.94e-39 EMBL CAA42778 "YB3 [Xenopus laevis]" 98.73 305 100.00 100.00 5.93e-39 EMBL CAA51261 "cold shock domain protein A [Homo sapiens]" 97.47 372 98.70 100.00 9.87e-39 EMBL CAA64631 "DNA-binding protein [Homo sapiens]" 97.47 372 98.70 100.00 9.87e-39 EMBL CAB46826 "DNA binding protein [Canis familiaris]" 78.48 96 98.39 100.00 1.34e-27 GenBank AAA02573 "YB-1 protein" 98.73 321 100.00 100.00 3.66e-39 GenBank AAA20871 "similar to dbpB protein" 98.73 324 100.00 100.00 3.42e-39 GenBank AAA21677 "transcription factor EF1(A)" 72.15 110 100.00 100.00 1.95e-26 GenBank AAA30497 "transcription factor EF1(A)" 98.73 324 100.00 100.00 3.42e-39 GenBank AAA35749 "DNA-binding protein A" 97.47 412 98.70 100.00 2.35e-36 PRF 2210343A "nicotinic acetylcholine receptor repressor" 97.47 361 98.70 100.00 1.39e-38 REF NP_001016677 "Y box binding protein 1 [Xenopus tropicalis]" 98.73 306 100.00 100.00 6.40e-39 REF NP_001076254 "Y box binding protein 1 [Oryctolagus cuniculus]" 98.73 324 100.00 100.00 3.31e-39 REF NP_001079367 "similar to nuclease sensitive element binding protein 1 [Xenopus laevis]" 97.47 303 100.00 100.00 1.96e-38 REF NP_001080330 "nuclease sensitive element binding protein 1 [Xenopus laevis]" 98.73 305 100.00 100.00 5.93e-39 REF NP_001087255 "Y box binding protein 1 [Ovis aries]" 98.73 288 98.72 100.00 2.69e-38 SWISS-PROT P16989 "DNA-binding protein A (Cold shock domain-containing protein A) (Single-strand DNA-binding protein NF-GMB)" 97.47 372 98.70 100.00 9.87e-39 SWISS-PROT P21573 "Nuclease-sensitive element-binding protein 1 (Y-box-binding protein 1) (Y-box transcription factor)" 97.47 303 100.00 100.00 1.86e-38 SWISS-PROT P62960 "Nuclease-sensitive element-binding protein 1 (Y-box-binding protein 1) (Y-box transcription factor) (YB-1) (CCAAT-binding transcription factor I subunit A) (CBF-A) (Enhancer factor I subunit A) (EFI-A) (DNA-binding protein B) (DBPB)" 98.73 322 100.00 100.00 3.23e-39 SWISS-PROT P62961 "Nuclease-sensitive element-binding protein 1 (Y-box-binding protein 1) (Y-box transcription factor) (YB-1) (CCAAT-binding transcription factor I subunit A) (CBF-A) (Enhancer factor I subunit A) (EFI-A) (DNA-binding protein B) (DBPB)" 98.73 322 100.00 100.00 3.23e-39 SWISS-PROT P67808 "Nuclease-sensitive element-binding protein 1 (Y-box-binding protein 1) (Y-box transcription factor) (YB-1) (CCAAT-binding transcription factor I subunit A) (CBF-A) (Enhancer factor I subunit A) (EFI-A) (DNA-binding protein B) (DBPB)" 98.73 324 100.00 100.00 3.42e-39 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 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 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 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 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions 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 loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.00 . direct . 'liquid NH3' N 15 nitrogen ppm 0.00 . indirect . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 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' loop_ _Atom_shift_assign_ID _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' loop_ _Atom_shift_assign_ID _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' loop_ _Atom_shift_assign_ID _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 _Mol_system_component_name 'Cold Shock domain' loop_ _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_value_error 3JHNHA 19 ARG HA 19 ARG H 7.8 . 3JHNHA 34 VAL HA 34 VAL H 7.2 . 3JHNHA 41 ILE HA 41 ILE H 7.5 . 3JHNHA 42 LYS HA 42 LYS H 7.1 . 3JHNHA 57 GLU HA 57 GLU H 6.2 . 3JHNHA 60 GLU HA 60 GLU H 6.8 . 3JHNHA 61 PHE HA 61 PHE H 6.7 . 3JHNHA 63 VAL HA 63 VAL H 7.6 . 3JHNHA 65 GLU HA 65 GLU H 6.2 . 3JHNHA 66 GLY HA 66 GLY H 8.3 . 3JHNHA 69 GLY HA 69 GLY H 10.8 . 3JHNHA 71 GLU HA 71 GLU H 6.8 . 3JHNHA 72 ALA HA 72 ALA H 5.9 . 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 _Mol_system_component_name 'Cold Shock domain' loop_ _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_value_error 3JHNHA 42 LYS HA 42 LYS H 9.8 . 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 _Mol_system_component_name 'Cold Shock domain' loop_ _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_value_error 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 3 LYS N 515.692 29.290 5 ILE N 549.484 30.301 6 ALA N 671.935 39.272 9 VAL N 625.321 36.926 10 LEU N 579.837 29.777 11 GLY N 552.510 33.449 19 ARG N 618.837 33.887 31 LYS N 610.034 32.190 34 VAL N 537.940 29.390 41 ILE N 551.146 30.428 42 LYS N 475.862 22.304 55 ASP N 485.224 25.895 56 GLY N 611.209 33.588 57 GLU N 496.520 26.054 58 THR N 559.519 31.551 60 GLU N 534.538 27.019 61 PHE N 533.758 28.413 63 VAL N 518.215 28.526 64 VAL N 518.793 27.059 65 GLU N 537.918 29.306 66 GLY N 591.199 33.361 69 GLY N 704.190 37.321 70 ALA N 531.213 27.478 71 GLU N 585.299 31.872 72 ALA N 595.050 32.676 73 ALA N 603.182 33.395 74 ASN N 495.442 30.043 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 3 LYS N 612.026 34.836 5 ILE N 610.294 33.539 6 ALA N 661.145 38.511 9 VAL N 580.784 31.985 10 LEU N 583.648 32.041 11 GLY N 528.682 26.944 19 ARG N 578.780 32.895 31 LYS N 629.362 35.081 34 VAL N 578.524 32.445 40 ALA N 489.146 27.260 41 ILE N 578.455 32.653 42 LYS N 542.073 33.861 55 ASP N 604.203 33.311 56 GLY N 620.521 35.971 57 GLU N 560.857 30.887 58 THR N 579.333 32.378 60 GLU N 593.187 33.309 61 PHE N 601.452 32.585 63 VAL N 610.360 34.635 64 VAL N 571.168 32.116 65 GLU N 603.392 33.682 66 GLY N 630.871 35.289 69 GLY N 580.940 32.940 70 ALA N 562.111 31.844 71 GLU N 617.461 35.775 72 ALA N 630.278 35.551 73 ALA N 634.022 36.680 74 ASN N 671.207 38.871 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 42 LYS N 455.534 27.094 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 42 LYS N 518.547 28.451 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 _Mol_system_component_name 'Cold Shock domain' _T1_coherence_type Nz _T1_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 79 GLY N 720.900 34.486 stop_ save_ save_T1rho_relaxation_500_major_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 11.7 Tesla and corrected for spin lock field ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 3 LYS N 217.124 13.910 5 ILE N 351.695 31.895 9 VAL N 260.265 20.768 10 LEU N 221.451 14.965 11 GLY N 159.214 8.802 19 ARG N 280.112 22.358 31 LYS N 363.296 31.921 34 VAL N 240.040 17.159 40 ALA N 156.731 10.219 41 ILE N 243.538 17.736 42 LYS N 181.117 10.590 55 ASP N 186.201 12.146 56 GLY N 251.848 18.855 57 GLU N 225.072 14.980 58 THR N 216.594 14.079 60 GLU N 203.429 12.579 61 PHE N 217.451 14.091 63 VAL N 172.182 9.897 64 VAL N 189.463 9.811 65 GLU N 211.460 13.305 66 GLY N 271.571 21.797 69 GLY N 289.319 23.811 70 ALA N 232.305 15.297 71 GLU N 300.102 25.271 72 ALA N 329.146 28.281 73 ALA N 309.896 25.549 74 ASN N 115.943 6.001 79 GLY N 515.996 66.006 stop_ save_ save_T1rho_relaxation_750_major_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 17.6 Tesla and corrected for spin lock field ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 3 LYS N 180.855 10.473 5 ILE N 197.353 12.248 6 ALA N 227.983 14.113 9 VAL N 215.100 13.528 10 LEU N 195.288 11.782 11 GLY N 233.283 17.466 19 ARG N 232.215 15.255 31 LYS N 213.155 13.015 34 VAL N 204.517 12.451 40 ALA N 153.547 8.083 41 ILE N 185.382 10.919 42 LYS N 70.063 4.900 55 ASP N 142.148 7.932 56 GLY N 197.037 11.348 57 GLU N 163.223 9.023 58 THR N 215.206 13.182 60 GLU N 153.957 8.018 61 PHE N 170.348 9.650 63 VAL N 145.687 7.909 64 VAL N 149.074 8.011 65 GLU N 161.270 9.057 66 GLY N 207.129 12.611 69 GLY N 256.264 19.221 70 ALA N 132.385 6.720 71 GLU N 231.472 15.344 72 ALA N 244.929 17.419 73 ALA N 248.762 18.009 74 ASN N 103.869 5.270 79 GLY N 496.032 60.592 stop_ save_ save_T1rho_relaxation_500_minor_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 11.7 Tesla and corrected for spin lock field ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 42 LYS N 156.704 9.646 79 GLY N 313.226 26.472 stop_ save_ save_T1rho_relaxation_500_extra_minor_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 11.7 Tesla and corrected for spin lock field ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 79 GLY N 248.019 18.252 stop_ save_ save_T1rho_relaxation_750_minor_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 17.6 Tesla and corrected for spin lock field ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 42 LYS N 82.975 4.400 79 GLY N 392.977 37.210 stop_ save_ save_T1rho_relaxation_750_extra_minor_unfolded_state _Saveframe_category T1rho_relaxation _Details ; T1rho recorded at 17.6 Tesla and corrected for spin lock field. ; loop_ _Software_label $nLinLS stop_ loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 750 _Mol_system_component_name 'Cold Shock domain' _T1rho_coherence_type Nz _T1rho_value_units ms loop_ _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 79 GLY N 196.677 12.239 stop_ save_ save_heteronuclear_NOE_500_major_unfolded_state _Saveframe_category heteronuclear_NOE _Details ; 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 'Cold Shock domain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'ratio peak height presat experiment and peak height reference experiment.' _NOE_reference_value . _NOE_reference_description . loop_ _Residue_seq_code _Residue_label _Atom_name _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 LYS N 0.0889 0.03 5 ILE N -0.4382 0.03 6 ALA N -0.1728 0.03 9 VAL N 0.2075 0.03 10 LEU N 0.0729 0.03 11 GLY N -0.1476 0.03 19 ARG N -0.0976 0.03 31 LYS N 0.0074 0.03 34 VAL N 0.1539 0.03 40 ALA N 0.3718 0.03 41 ILE N 0.0994 0.03 55 ASP N 0.5727 0.03 56 GLY N 0.1186 0.03 57 GLU N 0.3126 0.03 60 GLU N 0.0791 0.03 61 PHE N 0.1849 0.03 63 VAL N 0.2176 0.03 64 VAL N 0.1771 0.03 65 GLU N 0.1874 0.03 66 GLY N 0.0581 0.03 69 GLY N -0.3110 0.03 70 ALA N 0.1954 0.03 71 GLU N -0.0356 0.03 72 ALA N 0.2344 0.03 73 ALA N 0.0110 0.03 74 ASN N 0.5671 0.03 79 GLY N -0.8584 0.03 stop_ save_ save_heteronuclear_NOE_500_minor_unfolded_state _Saveframe_category heteronuclear_NOE _Details ; 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 'Cold Shock domain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'ratio peak height presat experiment and peak height reference experiment.' _NOE_reference_value . _NOE_reference_description 'not used' loop_ _Residue_seq_code _Residue_label _Atom_name _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 79 GLY N -0.3184 0.03 stop_ save_