################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Major unfolded state of cold shock domain of human YB-1 protein.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 5076 1 . . 2 $sample2 . 5076 1 . . 3 $sample3 . 5076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.560 . . 1 . . . . . . . . 5076 1 2 . 1 1 3 3 LYS N N 15 123.984 . . 1 . . . . . . . . 5076 1 3 . 1 1 4 4 VAL HA H 1 4.18 . . 1 . . . . . . . . 5076 1 4 . 1 1 4 4 VAL CA C 13 62.22 . . 1 . . . . . . . . 5076 1 5 . 1 1 5 5 ILE H H 1 8.306 . . 1 . . . . . . . . 5076 1 6 . 1 1 5 5 ILE CA C 13 60.70 . . 1 . . . . . . . . 5076 1 7 . 1 1 5 5 ILE N N 15 125.984 . . 1 . . . . . . . . 5076 1 8 . 1 1 6 6 ALA H H 1 8.407 . . 1 . . . . . . . . 5076 1 9 . 1 1 6 6 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5076 1 10 . 1 1 6 6 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5076 1 11 . 1 1 6 6 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5076 1 12 . 1 1 6 6 ALA N N 15 129.010 . . 1 . . . . . . . . 5076 1 13 . 1 1 9 9 VAL H H 1 8.145 . . 1 . . . . . . . . 5076 1 14 . 1 1 9 9 VAL N N 15 123.425 . . 1 . . . . . . . . 5076 1 15 . 1 1 10 10 LEU H H 1 8.333 . . 1 . . . . . . . . 5076 1 16 . 1 1 10 10 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 5076 1 17 . 1 1 10 10 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 5076 1 18 . 1 1 10 10 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 5076 1 19 . 1 1 10 10 LEU N N 15 122.150 . . 1 . . . . . . . . 5076 1 20 . 1 1 11 11 GLY H H 1 8.207 . . 1 . . . . . . . . 5076 1 21 . 1 1 11 11 GLY N N 15 108.537 . . 1 . . . . . . . . 5076 1 22 . 1 1 12 12 THR H H 1 8.000 . . 1 . . . . . . . . 5076 1 23 . 1 1 12 12 THR N N 15 113.90 . . 1 . . . . . . . . 5076 1 24 . 1 1 15 15 TRP HD1 H 1 7.13 . . 1 . . . . . . . . 5076 1 25 . 1 1 15 15 TRP HE1 H 1 10.094 . . 1 . . . . . . . . 5076 1 26 . 1 1 15 15 TRP NE1 N 15 129.384 . . 1 . . . . . . . . 5076 1 27 . 1 1 16 16 PHE H H 1 7.91 . . 1 . . . . . . . . 5076 1 28 . 1 1 19 19 ARG H H 1 8.056 . . 1 . . . . . . . . 5076 1 29 . 1 1 19 19 ARG N N 15 120.022 . . 1 . . . . . . . . 5076 1 30 . 1 1 25 25 ILE H H 1 8.05 . . 1 . . . . . . . . 5076 1 31 . 1 1 25 25 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 5076 1 32 . 1 1 25 25 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 5076 1 33 . 1 1 25 25 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 5076 1 34 . 1 1 26 26 ASN HD21 H 1 7.57 . . 2 . . . . . . . . 5076 1 35 . 1 1 26 26 ASN HD22 H 1 6.91 . . 2 . . . . . . . . 5076 1 36 . 1 1 27 27 ARG H H 1 8.35 . . 1 . . . . . . . . 5076 1 37 . 1 1 28 28 ASN H H 1 8.49 . . 1 . . . . . . . . 5076 1 38 . 1 1 29 29 ASP H H 1 8.30 . . 1 . . . . . . . . 5076 1 39 . 1 1 29 29 ASP HA H 1 4.66 . . 1 . . . . . . . . 5076 1 40 . 1 1 29 29 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 5076 1 41 . 1 1 29 29 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 5076 1 42 . 1 1 29 29 ASP CA C 13 54.43 . . 1 . . . . . . . . 5076 1 43 . 1 1 29 29 ASP CB C 13 41.21 . . 1 . . . . . . . . 5076 1 44 . 1 1 30 30 THR H H 1 8.05 . . 1 . . . . . . . . 5076 1 45 . 1 1 30 30 THR CA C 13 61.93 . . 1 . . . . . . . . 5076 1 46 . 1 1 30 30 THR CB C 13 69.94 . . 1 . . . . . . . . 5076 1 47 . 1 1 30 30 THR N N 15 114.023 . . 1 . . . . . . . . 5076 1 48 . 1 1 31 31 LYS H H 1 8.302 . . 1 . . . . . . . . 5076 1 49 . 1 1 31 31 LYS N N 15 123.152 . . 1 . . . . . . . . 5076 1 50 . 1 1 32 32 GLU H H 1 8.36 . . 1 . . . . . . . . 5076 1 51 . 1 1 32 32 GLU N N 15 121.25 . . 1 . . . . . . . . 5076 1 52 . 1 1 33 33 ASP H H 1 8.36 . . 1 . . . . . . . . 5076 1 53 . 1 1 33 33 ASP HA H 1 4.58 . . 1 . . . . . . . . 5076 1 54 . 1 1 33 33 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 5076 1 55 . 1 1 33 33 ASP CA C 13 54.43 . . 1 . . . . . . . . 5076 1 56 . 1 1 33 33 ASP CB C 13 41.21 . . 1 . . . . . . . . 5076 1 57 . 1 1 34 34 VAL H H 1 7.900 . . 1 . . . . . . . . 5076 1 58 . 1 1 34 34 VAL N N 15 119.185 . . 1 . . . . . . . . 5076 1 59 . 1 1 35 35 PHE H H 1 8.21 . . 1 . . . . . . . . 5076 1 60 . 1 1 35 35 PHE HA H 1 4.74 . . 1 . . . . . . . . 5076 1 61 . 1 1 35 35 PHE HB2 H 1 2.82 . . 2 . . . . . . . . 5076 1 62 . 1 1 35 35 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 5076 1 63 . 1 1 35 35 PHE CA C 13 57.86 . . 1 . . . . . . . . 5076 1 64 . 1 1 35 35 PHE CB C 13 39.50 . . 1 . . . . . . . . 5076 1 65 . 1 1 35 35 PHE N N 15 122.48 . . 1 . . . . . . . . 5076 1 66 . 1 1 36 36 VAL H H 1 7.89 . . 1 . . . . . . . . 5076 1 67 . 1 1 36 36 VAL HA H 1 3.99 . . 1 . . . . . . . . 5076 1 68 . 1 1 36 36 VAL N N 15 121.32 . . 1 . . . . . . . . 5076 1 69 . 1 1 40 40 ALA H H 1 8.156 . . 1 . . . . . . . . 5076 1 70 . 1 1 40 40 ALA HA H 1 3.81 . . 1 . . . . . . . . 5076 1 71 . 1 1 40 40 ALA CA C 13 56.64 . . 1 . . . . . . . . 5076 1 72 . 1 1 40 40 ALA CB C 13 19.32 . . 1 . . . . . . . . 5076 1 73 . 1 1 40 40 ALA N N 15 114.747 . . 1 . . . . . . . . 5076 1 74 . 1 1 41 41 ILE H H 1 7.962 . . 1 . . . . . . . . 5076 1 75 . 1 1 41 41 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 5076 1 76 . 1 1 41 41 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 5076 1 77 . 1 1 41 41 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 5076 1 78 . 1 1 41 41 ILE CA C 13 61.76 . . 1 . . . . . . . . 5076 1 79 . 1 1 41 41 ILE CB C 13 37.40 . . 1 . . . . . . . . 5076 1 80 . 1 1 41 41 ILE N N 15 119.673 . . 1 . . . . . . . . 5076 1 81 . 1 1 42 42 LYS H H 1 8.801 . . 1 . . . . . . . . 5076 1 82 . 1 1 42 42 LYS N N 15 129.775 . . 1 . . . . . . . . 5076 1 83 . 1 1 50 50 LEU H H 1 8.11 . . 1 . . . . . . . . 5076 1 84 . 1 1 54 54 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 5076 1 85 . 1 1 54 54 GLY HA2 H 1 4.26 . . 2 . . . . . . . . 5076 1 86 . 1 1 54 54 GLY CA C 13 44.40 . . 1 . . . . . . . . 5076 1 87 . 1 1 55 55 ASP H H 1 8.361 . . 1 . . . . . . . . 5076 1 88 . 1 1 55 55 ASP HA H 1 4.03 . . 1 . . . . . . . . 5076 1 89 . 1 1 55 55 ASP CA C 13 54.64 . . 1 . . . . . . . . 5076 1 90 . 1 1 55 55 ASP CB C 13 41.20 . . 1 . . . . . . . . 5076 1 91 . 1 1 55 55 ASP N N 15 120.104 . . 1 . . . . . . . . 5076 1 92 . 1 1 56 56 GLY H H 1 8.357 . . 1 . . . . . . . . 5076 1 93 . 1 1 56 56 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 5076 1 94 . 1 1 56 56 GLY HA2 H 1 4.14 . . 2 . . . . . . . . 5076 1 95 . 1 1 56 56 GLY CA C 13 45.58 . . 1 . . . . . . . . 5076 1 96 . 1 1 56 56 GLY N N 15 109.079 . . 1 . . . . . . . . 5076 1 97 . 1 1 57 57 GLU H H 1 8.187 . . 1 . . . . . . . . 5076 1 98 . 1 1 57 57 GLU CA C 13 56.47 . . 1 . . . . . . . . 5076 1 99 . 1 1 57 57 GLU CB C 13 30.73 . . 1 . . . . . . . . 5076 1 100 . 1 1 57 57 GLU CG C 13 36.43 . . 1 . . . . . . . . 5076 1 101 . 1 1 57 57 GLU N N 15 120.313 . . 1 . . . . . . . . 5076 1 102 . 1 1 58 58 THR H H 1 8.330 . . 1 . . . . . . . . 5076 1 103 . 1 1 58 58 THR HG21 H 1 1.24 . . 1 . . . . . . . . 5076 1 104 . 1 1 58 58 THR HG22 H 1 1.24 . . 1 . . . . . . . . 5076 1 105 . 1 1 58 58 THR HG23 H 1 1.24 . . 1 . . . . . . . . 5076 1 106 . 1 1 58 58 THR N N 15 115.682 . . 1 . . . . . . . . 5076 1 107 . 1 1 59 59 VAL H H 1 8.22 . . 1 . . . . . . . . 5076 1 108 . 1 1 60 60 GLU H H 1 8.331 . . 1 . . . . . . . . 5076 1 109 . 1 1 60 60 GLU HA H 1 4.38 . . 1 . . . . . . . . 5076 1 110 . 1 1 60 60 GLU CA C 13 45.46 . . 1 . . . . . . . . 5076 1 111 . 1 1 60 60 GLU N N 15 124.084 . . 1 . . . . . . . . 5076 1 112 . 1 1 61 61 PHE H H 1 8.229 . . 1 . . . . . . . . 5076 1 113 . 1 1 61 61 PHE N N 15 120.686 . . 1 . . . . . . . . 5076 1 114 . 1 1 62 62 ASP HA H 1 4.21 . . 1 . . . . . . . . 5076 1 115 . 1 1 62 62 ASP CA C 13 54.10 . . 1 . . . . . . . . 5076 1 116 . 1 1 63 63 VAL H H 1 8.082 . . 1 . . . . . . . . 5076 1 117 . 1 1 63 63 VAL CA C 13 62.29 . . 1 . . . . . . . . 5076 1 118 . 1 1 63 63 VAL N N 15 120.334 . . 1 . . . . . . . . 5076 1 119 . 1 1 64 64 VAL H H 1 8.223 . . 1 . . . . . . . . 5076 1 120 . 1 1 64 64 VAL HA H 1 4.12 . . 1 . . . . . . . . 5076 1 121 . 1 1 64 64 VAL HB H 1 2.03 . . 1 . . . . . . . . 5076 1 122 . 1 1 64 64 VAL HG21 H 1 0.89 . . 2 . . . . . . . . 5076 1 123 . 1 1 64 64 VAL HG22 H 1 0.89 . . 2 . . . . . . . . 5076 1 124 . 1 1 64 64 VAL HG23 H 1 0.89 . . 2 . . . . . . . . 5076 1 125 . 1 1 64 64 VAL CA C 13 62.23 . . 1 . . . . . . . . 5076 1 126 . 1 1 64 64 VAL N N 15 124.095 . . 1 . . . . . . . . 5076 1 127 . 1 1 65 65 GLU H H 1 8.462 . . 1 . . . . . . . . 5076 1 128 . 1 1 65 65 GLU HA H 1 4.26 . . 1 . . . . . . . . 5076 1 129 . 1 1 65 65 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 5076 1 130 . 1 1 65 65 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 5076 1 131 . 1 1 65 65 GLU CA C 13 56.87 . . 1 . . . . . . . . 5076 1 132 . 1 1 65 65 GLU CB C 13 30.66 . . 1 . . . . . . . . 5076 1 133 . 1 1 65 65 GLU N N 15 124.817 . . 1 . . . . . . . . 5076 1 134 . 1 1 66 66 GLY H H 1 8.357 . . 1 . . . . . . . . 5076 1 135 . 1 1 66 66 GLY CA C 13 45.56 . . 1 . . . . . . . . 5076 1 136 . 1 1 66 66 GLY N N 15 109.922 . . 1 . . . . . . . . 5076 1 137 . 1 1 67 67 GLU H H 1 8.27 . . 1 . . . . . . . . 5076 1 138 . 1 1 67 67 GLU CA C 13 56.67 . . 1 . . . . . . . . 5076 1 139 . 1 1 67 67 GLU CB C 13 30.44 . . 1 . . . . . . . . 5076 1 140 . 1 1 67 67 GLU CG C 13 36.43 . . 1 . . . . . . . . 5076 1 141 . 1 1 68 68 LYS HA H 1 4.34 . . 1 . . . . . . . . 5076 1 142 . 1 1 68 68 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 5076 1 143 . 1 1 68 68 LYS CA C 13 56.70 . . 1 . . . . . . . . 5076 1 144 . 1 1 68 68 LYS CB C 13 33.00 . . 1 . . . . . . . . 5076 1 145 . 1 1 68 68 LYS CG C 13 25.28 . . 1 . . . . . . . . 5076 1 146 . 1 1 69 69 GLY H H 1 8.436 . . 1 . . . . . . . . 5076 1 147 . 1 1 69 69 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 5076 1 148 . 1 1 69 69 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 5076 1 149 . 1 1 69 69 GLY CA C 13 45.39 . . 1 . . . . . . . . 5076 1 150 . 1 1 69 69 GLY N N 15 110.096 . . 1 . . . . . . . . 5076 1 151 . 1 1 70 70 ALA H H 1 8.167 . . 1 . . . . . . . . 5076 1 152 . 1 1 70 70 ALA HA H 1 4.30 . . 1 . . . . . . . . 5076 1 153 . 1 1 70 70 ALA CA C 13 52.74 . . 1 . . . . . . . . 5076 1 154 . 1 1 70 70 ALA CB C 13 19.36 . . 1 . . . . . . . . 5076 1 155 . 1 1 70 70 ALA N N 15 123.755 . . 1 . . . . . . . . 5076 1 156 . 1 1 71 71 GLU H H 1 8.46 . . 1 . . . . . . . . 5076 1 157 . 1 1 71 71 GLU HA H 1 4.24 . . 1 . . . . . . . . 5076 1 158 . 1 1 71 71 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 5076 1 159 . 1 1 71 71 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 5076 1 160 . 1 1 71 71 GLU CA C 13 56.87 . . 1 . . . . . . . . 5076 1 161 . 1 1 71 71 GLU CB C 13 30.21 . . 1 . . . . . . . . 5076 1 162 . 1 1 71 71 GLU CG C 13 36.39 . . 1 . . . . . . . . 5076 1 163 . 1 1 71 71 GLU N N 15 119.68 . . 1 . . . . . . . . 5076 1 164 . 1 1 72 72 ALA H H 1 8.197 . . 1 . . . . . . . . 5076 1 165 . 1 1 72 72 ALA HA H 1 4.29 . . 1 . . . . . . . . 5076 1 166 . 1 1 72 72 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 5076 1 167 . 1 1 72 72 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 5076 1 168 . 1 1 72 72 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 5076 1 169 . 1 1 72 72 ALA CA C 13 52.56 . . 1 . . . . . . . . 5076 1 170 . 1 1 72 72 ALA CB C 13 19.34 . . 1 . . . . . . . . 5076 1 171 . 1 1 72 72 ALA N N 15 124.674 . . 1 . . . . . . . . 5076 1 172 . 1 1 73 73 ALA H H 1 8.148 . . 1 . . . . . . . . 5076 1 173 . 1 1 73 73 ALA CA C 13 52.59 . . 1 . . . . . . . . 5076 1 174 . 1 1 73 73 ALA CB C 13 19.39 . . 1 . . . . . . . . 5076 1 175 . 1 1 73 73 ALA N N 15 122.547 . . 1 . . . . . . . . 5076 1 176 . 1 1 74 74 ASN H H 1 9.291 . . 1 . . . . . . . . 5076 1 177 . 1 1 74 74 ASN N N 15 118.058 . . 1 . . . . . . . . 5076 1 178 . 1 1 75 75 VAL H H 1 9.55 . . 1 . . . . . . . . 5076 1 179 . 1 1 75 75 VAL HA H 1 4.26 . . 1 . . . . . . . . 5076 1 180 . 1 1 75 75 VAL CA C 13 65.52 . . 1 . . . . . . . . 5076 1 181 . 1 1 75 75 VAL CB C 13 32.76 . . 1 . . . . . . . . 5076 1 182 . 1 1 75 75 VAL N N 15 117.135 . . 1 . . . . . . . . 5076 1 183 . 1 1 76 76 THR H H 1 8.22 . . 1 . . . . . . . . 5076 1 184 . 1 1 76 76 THR HA H 1 4.41 . . 1 . . . . . . . . 5076 1 185 . 1 1 76 76 THR CA C 13 61.80 . . 1 . . . . . . . . 5076 1 186 . 1 1 76 76 THR CB C 13 70.03 . . 1 . . . . . . . . 5076 1 187 . 1 1 77 77 GLY CA C 13 44.71 . . 1 . . . . . . . . 5076 1 188 . 1 1 78 78 PRO HA H 1 4.46 . . 1 . . . . . . . . 5076 1 189 . 1 1 78 78 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 5076 1 190 . 1 1 78 78 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 5076 1 191 . 1 1 78 78 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 5076 1 192 . 1 1 78 78 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 5076 1 193 . 1 1 78 78 PRO CA C 13 63.45 . . 1 . . . . . . . . 5076 1 194 . 1 1 78 78 PRO CB C 13 32.35 . . 1 . . . . . . . . 5076 1 195 . 1 1 78 78 PRO CG C 13 27.33 . . 1 . . . . . . . . 5076 1 196 . 1 1 79 79 GLY H H 1 8.015 . . 1 . . . . . . . . 5076 1 197 . 1 1 79 79 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 5076 1 198 . 1 1 79 79 GLY CA C 13 46.36 . . 1 . . . . . . . . 5076 1 199 . 1 1 79 79 GLY N N 15 115.347 . . 1 . . . . . . . . 5076 1 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_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Minor unfolded state of cold shock domain of human YB-1 protein.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 5076 2 . . 2 $sample2 . 5076 2 . . 3 $sample3 . 5076 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 GLY H H 1 8.32 . . 1 . . . . . . . . 5076 2 2 . 1 1 11 11 GLY N N 15 109.48 . . 1 . . . . . . . . 5076 2 3 . 1 1 42 42 LYS H H 1 8.826 . . 1 . . . . . . . . 5076 2 4 . 1 1 42 42 LYS HA H 1 4.28 . . 1 . . . . . . . . 5076 2 5 . 1 1 42 42 LYS CB C 13 32.93 . . 1 . . . . . . . . 5076 2 6 . 1 1 42 42 LYS N N 15 129.264 . . 1 . . . . . . . . 5076 2 7 . 1 1 71 71 GLU H H 1 8.359 . . 1 . . . . . . . . 5076 2 8 . 1 1 71 71 GLU N N 15 121.627 . . 1 . . . . . . . . 5076 2 9 . 1 1 74 74 ASN H H 1 8.333 . . 1 . . . . . . . . 5076 2 10 . 1 1 74 74 ASN N N 15 117.824 . . 1 . . . . . . . . 5076 2 11 . 1 1 78 78 PRO HA H 1 4.64 . . 1 . . . . . . . . 5076 2 12 . 1 1 78 78 PRO CA C 13 63.10 . . 1 . . . . . . . . 5076 2 13 . 1 1 78 78 PRO CB C 13 34.56 . . 1 . . . . . . . . 5076 2 14 . 1 1 79 79 GLY H H 1 8.240 . . 1 . . . . . . . . 5076 2 15 . 1 1 79 79 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 5076 2 16 . 1 1 79 79 GLY CA C 13 46.41 . . 1 . . . . . . . . 5076 2 17 . 1 1 79 79 GLY N N 15 116.715 . . 1 . . . . . . . . 5076 2 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_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three _Assigned_chem_shift_list.Entry_ID 5076 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Additional minor unfolded state of cold shock domain of human YB-1 protein.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 5076 3 . . 2 $sample2 . 5076 3 . . 3 $sample3 . 5076 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 78 78 PRO HA H 1 4.77 . . 1 . . . . . . . . 5076 3 2 . 1 1 78 78 PRO CA C 13 62.50 . . 1 . . . . . . . . 5076 3 3 . 1 1 78 78 PRO CB C 13 34.90 . . 1 . . . . . . . . 5076 3 4 . 1 1 79 79 GLY H H 1 8.410 . . 1 . . . . . . . . 5076 3 5 . 1 1 79 79 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 5076 3 6 . 1 1 79 79 GLY CA C 13 46.41 . . 1 . . . . . . . . 5076 3 7 . 1 1 79 79 GLY N N 15 116.806 . . 1 . . . . . . . . 5076 3 stop_ save_