################################### # 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_CS_a-BTX _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_a-BTX _Assigned_chem_shift_list.Entry_ID 4838 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond1 _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 . _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 HOHAHA 1 $sample_1 . 4838 1 2 NOESY 1 $sample_1 . 4838 1 3 DQF-COSY 1 $sample_1 . 4838 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.Ambiguity_set_ID _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 2 2 VAL H H 1 8.16 0.02 . 1 . . . . . . . . . 4838 1 2 . 1 1 2 2 VAL HA H 1 5.02 0.02 . 1 . . . . . . . . . 4838 1 3 . 1 1 2 2 VAL HB H 1 1.61 0.02 . 1 . . . . . . . . . 4838 1 4 . 1 1 2 2 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 5 . 1 1 2 2 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 6 . 1 1 2 2 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 7 . 1 1 2 2 VAL HG21 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 8 . 1 1 2 2 VAL HG22 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 9 . 1 1 2 2 VAL HG23 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 10 . 1 1 3 3 CYS H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 11 . 1 1 3 3 CYS HA H 1 5.12 0.02 . 1 . . . . . . . . . 4838 1 12 . 1 1 3 3 CYS HB2 H 1 3.03 0.02 . 1 . . . . . . . . . 4838 1 13 . 1 1 3 3 CYS HB3 H 1 2.48 0.02 . 1 . . . . . . . . . 4838 1 14 . 1 1 4 4 HIS H H 1 9.37 0.02 . 1 . . . . . . . . . 4838 1 15 . 1 1 4 4 HIS HA H 1 5.23 0.02 . 1 . . . . . . . . . 4838 1 16 . 1 1 4 4 HIS HB2 H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 17 . 1 1 4 4 HIS HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 4838 1 18 . 1 1 5 5 THR H H 1 8.95 0.02 . 1 . . . . . . . . . 4838 1 19 . 1 1 5 5 THR HA H 1 5.23 0.02 . 1 . . . . . . . . . 4838 1 20 . 1 1 5 5 THR HB H 1 4.08 0.02 . 1 . . . . . . . . . 4838 1 21 . 1 1 5 5 THR HG21 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 22 . 1 1 5 5 THR HG22 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 23 . 1 1 5 5 THR HG23 H 1 1.39 0.02 . 1 . . . . . . . . . 4838 1 24 . 1 1 6 6 THR H H 1 8.13 0.02 . 1 . . . . . . . . . 4838 1 25 . 1 1 6 6 THR HA H 1 4.53 0.02 . 1 . . . . . . . . . 4838 1 26 . 1 1 6 6 THR HB H 1 5.25 0.02 . 1 . . . . . . . . . 4838 1 27 . 1 1 6 6 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 28 . 1 1 6 6 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 29 . 1 1 6 6 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . . 4838 1 30 . 1 1 7 7 ALA H H 1 9.19 0.02 . 1 . . . . . . . . . 4838 1 31 . 1 1 7 7 ALA HA H 1 4.71 0.02 . 1 . . . . . . . . . 4838 1 32 . 1 1 7 7 ALA HB1 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 33 . 1 1 7 7 ALA HB2 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 34 . 1 1 7 7 ALA HB3 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 35 . 1 1 8 8 THR H H 1 7.26 0.02 . 1 . . . . . . . . . 4838 1 36 . 1 1 8 8 THR HA H 1 4.52 0.02 . 1 . . . . . . . . . 4838 1 37 . 1 1 8 8 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 38 . 1 1 8 8 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 39 . 1 1 8 8 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . . 4838 1 40 . 1 1 9 9 SER H H 1 8.15 0.02 . 1 . . . . . . . . . 4838 1 41 . 1 1 9 9 SER HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 1 42 . 1 1 9 9 SER HB2 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 1 43 . 1 1 9 9 SER HB3 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 1 44 . 1 1 10 10 PRO HA H 1 4.95 0.02 . 1 . . . . . . . . . 4838 1 45 . 1 1 10 10 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . . 4838 1 46 . 1 1 10 10 PRO HG2 H 1 1.52 0.02 . 2 . . . . . . . . . 4838 1 47 . 1 1 10 10 PRO HD2 H 1 2.51 0.02 . 2 . . . . . . . . . 4838 1 48 . 1 1 11 11 ILE H H 1 8.65 0.02 . 1 . . . . . . . . . 4838 1 49 . 1 1 11 11 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 50 . 1 1 11 11 ILE HB H 1 0.91 0.02 . 1 . . . . . . . . . 4838 1 51 . 1 1 11 11 ILE HG21 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 52 . 1 1 11 11 ILE HG22 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 53 . 1 1 11 11 ILE HG23 H 1 0.43 0.02 . 1 . . . . . . . . . 4838 1 54 . 1 1 11 11 ILE HD11 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 55 . 1 1 11 11 ILE HD12 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 56 . 1 1 11 11 ILE HD13 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 57 . 1 1 12 12 SER H H 1 7.63 0.02 . 1 . . . . . . . . . 4838 1 58 . 1 1 12 12 SER HA H 1 5.01 0.02 . 1 . . . . . . . . . 4838 1 59 . 1 1 12 12 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 60 . 1 1 13 13 ALA H H 1 8.29 0.02 . 1 . . . . . . . . . 4838 1 61 . 1 1 13 13 ALA HA H 1 5.12 0.02 . 1 . . . . . . . . . 4838 1 62 . 1 1 13 13 ALA HB1 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 63 . 1 1 13 13 ALA HB2 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 64 . 1 1 13 13 ALA HB3 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 1 65 . 1 1 14 14 VAL H H 1 8.91 0.02 . 1 . . . . . . . . . 4838 1 66 . 1 1 14 14 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . . 4838 1 67 . 1 1 14 14 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . . 4838 1 68 . 1 1 14 14 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 69 . 1 1 14 14 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 70 . 1 1 14 14 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 71 . 1 1 14 14 VAL HG21 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 72 . 1 1 14 14 VAL HG22 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 73 . 1 1 14 14 VAL HG23 H 1 0.62 0.02 . 1 . . . . . . . . . 4838 1 74 . 1 1 15 15 THR H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 1 75 . 1 1 15 15 THR HA H 1 4.46 0.02 . 1 . . . . . . . . . 4838 1 76 . 1 1 15 15 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4838 1 77 . 1 1 15 15 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 78 . 1 1 15 15 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 79 . 1 1 15 15 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 80 . 1 1 16 16 CYS H H 1 8.89 0.02 . 1 . . . . . . . . . 4838 1 81 . 1 1 16 16 CYS HA H 1 4.91 0.02 . 1 . . . . . . . . . 4838 1 82 . 1 1 16 16 CYS HB2 H 1 3.33 0.02 . 1 . . . . . . . . . 4838 1 83 . 1 1 16 16 CYS HB3 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 84 . 1 1 17 17 PRO HA H 1 4.10 0.02 . 1 . . . . . . . . . 4838 1 85 . 1 1 17 17 PRO HB2 H 1 2.00 0.02 . 1 . . . . . . . . . 4838 1 86 . 1 1 17 17 PRO HG2 H 1 2.17 0.02 . 1 . . . . . . . . . 4838 1 87 . 1 1 17 17 PRO HD2 H 1 3.63 0.02 . 1 . . . . . . . . . 4838 1 88 . 1 1 19 19 GLY H H 1 8.82 0.02 . 1 . . . . . . . . . 4838 1 89 . 1 1 19 19 GLY HA2 H 1 4.36 0.02 . 1 . . . . . . . . . 4838 1 90 . 1 1 19 19 GLY HA3 H 1 3.73 0.02 . 1 . . . . . . . . . 4838 1 91 . 1 1 20 20 GLU H H 1 7.92 0.02 . 1 . . . . . . . . . 4838 1 92 . 1 1 20 20 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . . 4838 1 93 . 1 1 20 20 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . . 4838 1 94 . 1 1 20 20 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . . 4838 1 95 . 1 1 20 20 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . . 4838 1 96 . 1 1 21 21 ASN H H 1 8.08 0.02 . 1 . . . . . . . . . 4838 1 97 . 1 1 21 21 ASN HA H 1 5.03 0.02 . 1 . . . . . . . . . 4838 1 98 . 1 1 21 21 ASN HB2 H 1 2.71 0.02 . 1 . . . . . . . . . 4838 1 99 . 1 1 21 21 ASN HD21 H 1 2.71 0.02 . 1 . . . . . . . . . 4838 1 100 . 1 1 22 22 LEU H H 1 8.29 0.02 . 1 . . . . . . . . . 4838 1 101 . 1 1 22 22 LEU HA H 1 5.04 0.02 . 1 . . . . . . . . . 4838 1 102 . 1 1 22 22 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . . 4838 1 103 . 1 1 22 22 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . . 4838 1 104 . 1 1 22 22 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . . 4838 1 105 . 1 1 22 22 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 106 . 1 1 22 22 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 107 . 1 1 22 22 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . . 4838 1 108 . 1 1 22 22 LEU HD21 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 109 . 1 1 22 22 LEU HD22 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 110 . 1 1 22 22 LEU HD23 H 1 0.78 0.02 . 1 . . . . . . . . . 4838 1 111 . 1 1 23 23 CYS H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 112 . 1 1 23 23 CYS HA H 1 5.98 0.02 . 1 . . . . . . . . . 4838 1 113 . 1 1 23 23 CYS HB2 H 1 3.29 0.02 . 1 . . . . . . . . . 4838 1 114 . 1 1 23 23 CYS HG H 1 2.91 0.02 . 1 . . . . . . . . . 4838 1 115 . 1 1 24 24 TYR H H 1 9.04 0.02 . 1 . . . . . . . . . 4838 1 116 . 1 1 24 24 TYR HA H 1 6.06 0.02 . 1 . . . . . . . . . 4838 1 117 . 1 1 24 24 TYR HB2 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 118 . 1 1 24 24 TYR HB3 H 1 2.74 0.02 . 1 . . . . . . . . . 4838 1 119 . 1 1 25 25 ARG H H 1 9.08 0.02 . 1 . . . . . . . . . 4838 1 120 . 1 1 25 25 ARG HA H 1 5.34 0.02 . 1 . . . . . . . . . 4838 1 121 . 1 1 25 25 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . . 4838 1 122 . 1 1 25 25 ARG HB3 H 1 1.43 0.02 . 1 . . . . . . . . . 4838 1 123 . 1 1 25 25 ARG HG2 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 1 124 . 1 1 25 25 ARG HD2 H 1 1.98 0.02 . 1 . . . . . . . . . 4838 1 125 . 1 1 26 26 LYS H H 1 9.91 0.02 . 1 . . . . . . . . . 4838 1 126 . 1 1 26 26 LYS HA H 1 5.89 0.02 . 1 . . . . . . . . . 4838 1 127 . 1 1 26 26 LYS HB2 H 1 2.23 0.02 . 1 . . . . . . . . . 4838 1 128 . 1 1 26 26 LYS HG2 H 1 1.70 0.02 . 1 . . . . . . . . . 4838 1 129 . 1 1 26 26 LYS HD2 H 1 1.99 0.02 . 1 . . . . . . . . . 4838 1 130 . 1 1 26 26 LYS HE2 H 1 2.64 0.02 . 1 . . . . . . . . . 4838 1 131 . 1 1 27 27 MET H H 1 9.28 0.02 . 1 . . . . . . . . . 4838 1 132 . 1 1 27 27 MET HA H 1 6.26 0.02 . 1 . . . . . . . . . 4838 1 133 . 1 1 27 27 MET HB2 H 1 2.04 0.02 . 1 . . . . . . . . . 4838 1 134 . 1 1 27 27 MET HG2 H 1 2.70 0.02 . 1 . . . . . . . . . 4838 1 135 . 1 1 27 27 MET HE1 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 136 . 1 1 27 27 MET HE2 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 137 . 1 1 27 27 MET HE3 H 1 2.47 0.02 . 1 . . . . . . . . . 4838 1 138 . 1 1 28 28 TRP H H 1 8.11 0.02 . 1 . . . . . . . . . 4838 1 139 . 1 1 28 28 TRP HA H 1 5.24 0.02 . 1 . . . . . . . . . 4838 1 140 . 1 1 28 28 TRP HB2 H 1 3.83 0.02 . 1 . . . . . . . . . 4838 1 141 . 1 1 28 28 TRP HB3 H 1 3.52 0.02 . 1 . . . . . . . . . 4838 1 142 . 1 1 29 29 CYS H H 1 9.60 0.02 . 1 . . . . . . . . . 4838 1 143 . 1 1 29 29 CYS HA H 1 5.45 0.02 . 1 . . . . . . . . . 4838 1 144 . 1 1 29 29 CYS HB2 H 1 3.52 0.02 . 1 . . . . . . . . . 4838 1 145 . 1 1 29 29 CYS HB3 H 1 3.13 0.02 . 1 . . . . . . . . . 4838 1 146 . 1 1 30 30 ASP H H 1 9.39 0.02 . 1 . . . . . . . . . 4838 1 147 . 1 1 30 30 ASP HA H 1 5.07 0.02 . 1 . . . . . . . . . 4838 1 148 . 1 1 30 30 ASP HB2 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 149 . 1 1 30 30 ASP HB3 H 1 2.83 0.02 . 1 . . . . . . . . . 4838 1 150 . 1 1 31 31 ALA H H 1 8.18 0.02 . 1 . . . . . . . . . 4838 1 151 . 1 1 31 31 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . . 4838 1 152 . 1 1 31 31 ALA HB1 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 153 . 1 1 31 31 ALA HB2 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 154 . 1 1 31 31 ALA HB3 H 1 1.10 0.02 . 1 . . . . . . . . . 4838 1 155 . 1 1 32 32 PHE H H 1 8.84 0.02 . 1 . . . . . . . . . 4838 1 156 . 1 1 32 32 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . . 4838 1 157 . 1 1 32 32 PHE HB2 H 1 3.03 0.02 . 1 . . . . . . . . . 4838 1 158 . 1 1 32 32 PHE HB3 H 1 2.80 0.02 . 1 . . . . . . . . . 4838 1 159 . 1 1 33 33 CYS H H 1 7.73 0.02 . 1 . . . . . . . . . 4838 1 160 . 1 1 33 33 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . . 4838 1 161 . 1 1 33 33 CYS HB2 H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 162 . 1 1 33 33 CYS HB3 H 1 3.79 0.02 . 1 . . . . . . . . . 4838 1 163 . 1 1 33 33 CYS HG H 1 3.17 0.02 . 1 . . . . . . . . . 4838 1 164 . 1 1 34 34 SER H H 1 9.03 0.02 . 1 . . . . . . . . . 4838 1 165 . 1 1 34 34 SER HA H 1 4.34 0.02 . 1 . . . . . . . . . 4838 1 166 . 1 1 34 34 SER HB2 H 1 4.08 0.02 . 2 . . . . . . . . . 4838 1 167 . 1 1 34 34 SER HB3 H 1 4.03 0.02 . 2 . . . . . . . . . 4838 1 168 . 1 1 35 35 SER H H 1 7.66 0.02 . 1 . . . . . . . . . 4838 1 169 . 1 1 35 35 SER HA H 1 4.76 0.02 . 1 . . . . . . . . . 4838 1 170 . 1 1 35 35 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . . 4838 1 171 . 1 1 35 35 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . . 4838 1 172 . 1 1 36 36 ARG H H 1 8.39 0.02 . 1 . . . . . . . . . 4838 1 173 . 1 1 36 36 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . . 4838 1 174 . 1 1 37 37 GLY H H 1 7.31 0.02 . 1 . . . . . . . . . 4838 1 175 . 1 1 37 37 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 176 . 1 1 37 37 GLY HA3 H 1 4.62 0.02 . 1 . . . . . . . . . 4838 1 177 . 1 1 38 38 LYS H H 1 7.93 0.02 . 1 . . . . . . . . . 4838 1 178 . 1 1 38 38 LYS HA H 1 4.36 0.02 . 1 . . . . . . . . . 4838 1 179 . 1 1 38 38 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . . 4838 1 180 . 1 1 38 38 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . . 4838 1 181 . 1 1 38 38 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . . 4838 1 182 . 1 1 38 38 LYS HE2 H 1 1.86 0.02 . 2 . . . . . . . . . 4838 1 183 . 1 1 39 39 VAL H H 1 8.72 0.02 . 1 . . . . . . . . . 4838 1 184 . 1 1 39 39 VAL HA H 1 3.62 0.02 . 1 . . . . . . . . . 4838 1 185 . 1 1 39 39 VAL HB H 1 0.45 0.02 . 1 . . . . . . . . . 4838 1 186 . 1 1 39 39 VAL HG11 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 187 . 1 1 39 39 VAL HG12 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 188 . 1 1 39 39 VAL HG13 H 1 0.32 0.02 . 1 . . . . . . . . . 4838 1 189 . 1 1 39 39 VAL HG21 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 190 . 1 1 39 39 VAL HG22 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 191 . 1 1 39 39 VAL HG23 H 1 0.19 0.02 . 1 . . . . . . . . . 4838 1 192 . 1 1 40 40 VAL H H 1 8.30 0.02 . 1 . . . . . . . . . 4838 1 193 . 1 1 40 40 VAL HA H 1 4.57 0.02 . 1 . . . . . . . . . 4838 1 194 . 1 1 40 40 VAL HB H 1 0.59 0.02 . 1 . . . . . . . . . 4838 1 195 . 1 1 40 40 VAL HG11 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 196 . 1 1 40 40 VAL HG12 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 197 . 1 1 40 40 VAL HG13 H 1 0.51 0.02 . 1 . . . . . . . . . 4838 1 198 . 1 1 41 41 GLU H H 1 9.29 0.02 . 1 . . . . . . . . . 4838 1 199 . 1 1 41 41 GLU HA H 1 5.08 0.02 . 1 . . . . . . . . . 4838 1 200 . 1 1 41 41 GLU HB2 H 1 2.64 0.02 . 2 . . . . . . . . . 4838 1 201 . 1 1 41 41 GLU HB3 H 1 2.35 0.02 . 2 . . . . . . . . . 4838 1 202 . 1 1 41 41 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . . 4838 1 203 . 1 1 42 42 LEU H H 1 8.76 0.02 . 1 . . . . . . . . . 4838 1 204 . 1 1 42 42 LEU HA H 1 5.17 0.02 . 1 . . . . . . . . . 4838 1 205 . 1 1 42 42 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 206 . 1 1 42 42 LEU HB3 H 1 1.54 0.02 . 1 . . . . . . . . . 4838 1 207 . 1 1 42 42 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . . 4838 1 208 . 1 1 42 42 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 209 . 1 1 42 42 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 210 . 1 1 42 42 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . . 4838 1 211 . 1 1 42 42 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 212 . 1 1 42 42 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 213 . 1 1 42 42 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . . 4838 1 214 . 1 1 43 43 GLY H H 1 6.75 0.02 . 1 . . . . . . . . . 4838 1 215 . 1 1 43 43 GLY HA2 H 1 4.39 0.02 . 1 . . . . . . . . . 4838 1 216 . 1 1 43 43 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . . 4838 1 217 . 1 1 44 44 CYS H H 1 8.51 0.02 . 1 . . . . . . . . . 4838 1 218 . 1 1 44 44 CYS HA H 1 5.62 0.02 . 1 . . . . . . . . . 4838 1 219 . 1 1 44 44 CYS HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 1 220 . 1 1 44 44 CYS HB3 H 1 3.11 0.02 . 1 . . . . . . . . . 4838 1 221 . 1 1 45 45 ALA H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 1 222 . 1 1 45 45 ALA HA H 1 4.65 0.02 . 1 . . . . . . . . . 4838 1 223 . 1 1 45 45 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 224 . 1 1 45 45 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 225 . 1 1 45 45 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . . 4838 1 226 . 1 1 46 46 ALA H H 1 8.80 0.02 . 1 . . . . . . . . . 4838 1 227 . 1 1 46 46 ALA HA H 1 4.91 0.02 . 1 . . . . . . . . . 4838 1 228 . 1 1 46 46 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 229 . 1 1 46 46 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 230 . 1 1 46 46 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 231 . 1 1 47 47 THR H H 1 7.45 0.02 . 1 . . . . . . . . . 4838 1 232 . 1 1 47 47 THR HA H 1 4.40 0.02 . 1 . . . . . . . . . 4838 1 233 . 1 1 47 47 THR HB H 1 4.03 0.02 . 1 . . . . . . . . . 4838 1 234 . 1 1 47 47 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 235 . 1 1 47 47 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 236 . 1 1 47 47 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . . 4838 1 237 . 1 1 48 48 CYS H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 1 238 . 1 1 48 48 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . . 4838 1 239 . 1 1 48 48 CYS HB2 H 1 2.99 0.02 . 1 . . . . . . . . . 4838 1 240 . 1 1 48 48 CYS HB3 H 1 2.95 0.02 . 1 . . . . . . . . . 4838 1 241 . 1 1 49 49 PRO HA H 1 3.9 0.02 . 1 . . . . . . . . . 4838 1 242 . 1 1 49 49 PRO HB2 H 1 2.15 0.02 . 1 . . . . . . . . . 4838 1 243 . 1 1 49 49 PRO HD2 H 1 3.8 0.02 . 1 . . . . . . . . . 4838 1 244 . 1 1 50 50 SER H H 1 8.07 0.02 . 1 . . . . . . . . . 4838 1 245 . 1 1 50 50 SER HA H 1 4.25 0.02 . 1 . . . . . . . . . 4838 1 246 . 1 1 50 50 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . . 4838 1 247 . 1 1 50 50 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . . 4838 1 248 . 1 1 51 51 LYS H H 1 8.32 0.02 . 1 . . . . . . . . . 4838 1 249 . 1 1 51 51 LYS HA H 1 4.47 0.02 . 1 . . . . . . . . . 4838 1 250 . 1 1 51 51 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 251 . 1 1 51 51 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . . 4838 1 252 . 1 1 51 51 LYS HE2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 253 . 1 1 52 52 LYS H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 1 254 . 1 1 52 52 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . . 4838 1 255 . 1 1 52 52 LYS HB2 H 1 1.58 0.02 . 1 . . . . . . . . . 4838 1 256 . 1 1 52 52 LYS HG2 H 1 0.90 0.02 . 1 . . . . . . . . . 4838 1 257 . 1 1 52 52 LYS HD2 H 1 1.42 0.02 . 1 . . . . . . . . . 4838 1 258 . 1 1 52 52 LYS HE3 H 1 1.58 0.02 . 1 . . . . . . . . . 4838 1 259 . 1 1 53 53 PRO HA H 1 4.7 0.02 . 1 . . . . . . . . . 4838 1 260 . 1 1 53 53 PRO HB2 H 1 3.3 0.02 . 1 . . . . . . . . . 4838 1 261 . 1 1 53 53 PRO HG2 H 1 2.8 0.02 . 1 . . . . . . . . . 4838 1 262 . 1 1 53 53 PRO HD2 H 1 4.6 0.02 . 1 . . . . . . . . . 4838 1 263 . 1 1 54 54 TYR H H 1 7.05 0.02 . 1 . . . . . . . . . 4838 1 264 . 1 1 54 54 TYR HA H 1 3.57 0.02 . 1 . . . . . . . . . 4838 1 265 . 1 1 54 54 TYR HB2 H 1 3.21 0.02 . 1 . . . . . . . . . 4838 1 266 . 1 1 54 54 TYR HB3 H 1 3.06 0.02 . 1 . . . . . . . . . 4838 1 267 . 1 1 55 55 GLU H H 1 7.75 0.02 . 1 . . . . . . . . . 4838 1 268 . 1 1 55 55 GLU HA H 1 5.16 0.02 . 1 . . . . . . . . . 4838 1 269 . 1 1 55 55 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 4838 1 270 . 1 1 55 55 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 271 . 1 1 55 55 GLU HG2 H 1 2.04 0.02 . 1 . . . . . . . . . 4838 1 272 . 1 1 56 56 GLU H H 1 8.96 0.02 . 1 . . . . . . . . . 4838 1 273 . 1 1 56 56 GLU HA H 1 4.85 0.02 . 1 . . . . . . . . . 4838 1 274 . 1 1 56 56 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 275 . 1 1 56 56 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . . 4838 1 276 . 1 1 56 56 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . . 4838 1 277 . 1 1 57 57 VAL H H 1 8.58 0.02 . 1 . . . . . . . . . 4838 1 278 . 1 1 57 57 VAL HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 1 279 . 1 1 57 57 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . . 4838 1 280 . 1 1 57 57 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 281 . 1 1 57 57 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 282 . 1 1 57 57 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 283 . 1 1 57 57 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 284 . 1 1 57 57 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 285 . 1 1 57 57 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 1 286 . 1 1 58 58 THR H H 1 9.15 0.02 . 1 . . . . . . . . . 4838 1 287 . 1 1 58 58 THR HA H 1 4.82 0.02 . 1 . . . . . . . . . 4838 1 288 . 1 1 58 58 THR HB H 1 4.07 0.02 . 1 . . . . . . . . . 4838 1 289 . 1 1 58 58 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 290 . 1 1 58 58 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 291 . 1 1 58 58 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . . 4838 1 292 . 1 1 59 59 CYS H H 1 9.20 0.02 . 1 . . . . . . . . . 4838 1 293 . 1 1 59 59 CYS HA H 1 5.68 0.02 . 1 . . . . . . . . . 4838 1 294 . 1 1 59 59 CYS HB2 H 1 3.79 0.02 . 1 . . . . . . . . . 4838 1 295 . 1 1 59 59 CYS HB3 H 1 3.08 0.02 . 1 . . . . . . . . . 4838 1 296 . 1 1 60 60 CYS H H 1 9.25 0.02 . 1 . . . . . . . . . 4838 1 297 . 1 1 60 60 CYS HA H 1 5.19 0.02 . 1 . . . . . . . . . 4838 1 298 . 1 1 60 60 CYS HB2 H 1 3.65 0.02 . 1 . . . . . . . . . 4838 1 299 . 1 1 60 60 CYS HB3 H 1 3.47 0.02 . 1 . . . . . . . . . 4838 1 300 . 1 1 61 61 SER H H 1 8.91 0.02 . 1 . . . . . . . . . 4838 1 301 . 1 1 61 61 SER HA H 1 5.00 0.02 . 1 . . . . . . . . . 4838 1 302 . 1 1 61 61 SER HB2 H 1 4.26 0.02 . 1 . . . . . . . . . 4838 1 303 . 1 1 61 61 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . . 4838 1 304 . 1 1 62 62 THR H H 1 7.53 0.02 . 1 . . . . . . . . . 4838 1 305 . 1 1 62 62 THR HA H 1 4.81 0.02 . 1 . . . . . . . . . 4838 1 306 . 1 1 62 62 THR HB H 1 4.33 0.02 . 1 . . . . . . . . . 4838 1 307 . 1 1 62 62 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 308 . 1 1 62 62 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 309 . 1 1 62 62 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . . 4838 1 310 . 1 1 63 63 ASP H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 1 311 . 1 1 63 63 ASP HA H 1 4.85 0.02 . 1 . . . . . . . . . 4838 1 312 . 1 1 63 63 ASP HB2 H 1 2.56 0.02 . 1 . . . . . . . . . 4838 1 313 . 1 1 63 63 ASP HB3 H 1 2.36 0.02 . 1 . . . . . . . . . 4838 1 314 . 1 1 64 64 LYS H H 1 9.98 0.02 . 1 . . . . . . . . . 4838 1 315 . 1 1 64 64 LYS HA H 1 3.16 0.02 . 1 . . . . . . . . . 4838 1 316 . 1 1 64 64 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . . 4838 1 317 . 1 1 64 64 LYS HG2 H 1 0.35 0.02 . 1 . . . . . . . . . 4838 1 318 . 1 1 64 64 LYS HD2 H 1 1.02 0.02 . 1 . . . . . . . . . 4838 1 319 . 1 1 64 64 LYS HE2 H 1 2.08 0.02 . 1 . . . . . . . . . 4838 1 320 . 1 1 65 65 CYS H H 1 7.69 0.02 . 1 . . . . . . . . . 4838 1 321 . 1 1 65 65 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . . 4838 1 322 . 1 1 65 65 CYS HB2 H 1 3.82 0.02 . 1 . . . . . . . . . 4838 1 323 . 1 1 65 65 CYS HB3 H 1 3.59 0.02 . 1 . . . . . . . . . 4838 1 324 . 1 1 66 66 ASN H H 1 9.00 0.02 . 1 . . . . . . . . . 4838 1 325 . 1 1 66 66 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . . 4838 1 326 . 1 1 66 66 ASN HB2 H 1 2.06 0.02 . 1 . . . . . . . . . 4838 1 327 . 1 1 66 66 ASN HD21 H 1 2.06 0.02 . 1 . . . . . . . . . 4838 1 328 . 1 1 67 67 PRO HA H 1 3.7 0.02 . 1 . . . . . . . . . 4838 1 329 . 1 1 67 67 PRO HB2 H 1 1.8 0.02 . 1 . . . . . . . . . 4838 1 330 . 1 1 67 67 PRO HG2 H 1 1.6 0.02 . 1 . . . . . . . . . 4838 1 331 . 1 1 67 67 PRO HD2 H 1 3.5 0.02 . 1 . . . . . . . . . 4838 1 332 . 1 1 68 68 HIS H H 1 8.49 0.02 . 1 . . . . . . . . . 4838 1 333 . 1 1 68 68 HIS HA H 1 4.02 0.02 . 1 . . . . . . . . . 4838 1 334 . 1 1 68 68 HIS HB2 H 1 2.81 0.02 . 1 . . . . . . . . . 4838 1 335 . 1 1 68 68 HIS HD1 H 1 2.73 0.02 . 1 . . . . . . . . . 4838 1 336 . 1 1 69 69 PRO HA H 1 4.3 0.02 . 1 . . . . . . . . . 4838 1 337 . 1 1 69 69 PRO HB2 H 1 3.2 0.02 . 1 . . . . . . . . . 4838 1 338 . 1 1 69 69 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . . 4838 1 339 . 1 1 69 69 PRO HD2 H 1 3.4 0.02 . 1 . . . . . . . . . 4838 1 340 . 1 1 70 70 LYS H H 1 10.38 0.02 . 1 . . . . . . . . . 4838 1 341 . 1 1 70 70 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . . 4838 1 342 . 1 1 70 70 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . . 4838 1 343 . 1 1 70 70 LYS HG2 H 1 1.60 0.02 . 1 . . . . . . . . . 4838 1 344 . 1 1 70 70 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . . 4838 1 345 . 1 1 70 70 LYS HE2 H 1 2.20 0.02 . 1 . . . . . . . . . 4838 1 346 . 1 1 71 71 ARG H H 1 8.10 0.02 . 1 . . . . . . . . . 4838 1 347 . 1 1 71 71 ARG HA H 1 4.38 0.02 . 1 . . . . . . . . . 4838 1 348 . 1 1 71 71 ARG HB2 H 1 2.18 0.02 . 1 . . . . . . . . . 4838 1 349 . 1 1 71 71 ARG HG2 H 1 2.08 0.02 . 1 . . . . . . . . . 4838 1 350 . 1 1 71 71 ARG HD2 H 1 2.35 0.02 . 1 . . . . . . . . . 4838 1 351 . 1 1 72 72 GLN H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 1 352 . 1 1 72 72 GLN HA H 1 4.63 0.02 . 1 . . . . . . . . . 4838 1 353 . 1 1 72 72 GLN HB2 H 1 1.93 0.02 . 1 . . . . . . . . . 4838 1 354 . 1 1 72 72 GLN HB3 H 1 1.83 0.02 . 1 . . . . . . . . . 4838 1 355 . 1 1 74 74 GLY H H 1 7.93 0.02 . 1 . . . . . . . . . 4838 1 356 . 1 1 74 74 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . . 4838 1 357 . 1 1 74 74 GLY HA3 H 1 3.74 0.02 . 1 . . . . . . . . . 4838 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_CS_ap25 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_ap25 _Assigned_chem_shift_list.Entry_ID 4838 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond1 _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 . _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 HOHAHA 1 $sample_1 . 4838 2 2 NOESY 1 $sample_1 . 4838 2 3 DQF-COSY 1 $sample_1 . 4838 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.Ambiguity_set_ID _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 . 2 2 2 2 GLU H H 1 8.82 0.02 . 1 . . . . . . . . . 4838 2 2 . 2 2 2 2 GLU HA H 1 4.75 0.02 . 1 . . . . . . . . . 4838 2 3 . 2 2 2 2 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . . 4838 2 4 . 2 2 2 2 GLU HB3 H 1 2.38 0.02 . 1 . . . . . . . . . 4838 2 5 . 2 2 2 2 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . . 4838 2 6 . 2 2 3 3 ARG H H 1 8.59 0.02 . 1 . . . . . . . . . 4838 2 7 . 2 2 3 3 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 8 . 2 2 3 3 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . . 4838 2 9 . 2 2 3 3 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . . 4838 2 10 . 2 2 3 3 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . . 4838 2 11 . 2 2 3 3 ARG HE H 1 3.21 0.02 . 1 . . . . . . . . . 4838 2 12 . 2 2 4 4 GLY H H 1 8.45 0.02 . 1 . . . . . . . . . 4838 2 13 . 2 2 4 4 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . . 4838 2 14 . 2 2 5 5 TRP H H 1 8.14 0.02 . 1 . . . . . . . . . 4838 2 15 . 2 2 5 5 TRP HA H 1 4.82 0.02 . 1 . . . . . . . . . 4838 2 16 . 2 2 5 5 TRP HB2 H 1 3.36 0.02 . 1 . . . . . . . . . 4838 2 17 . 2 2 5 5 TRP HB3 H 1 3.29 0.02 . 1 . . . . . . . . . 4838 2 18 . 2 2 6 6 LYS H H 1 8.19 0.02 . 1 . . . . . . . . . 4838 2 19 . 2 2 6 6 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 20 . 2 2 6 6 LYS HB2 H 1 1.37 0.02 . 1 . . . . . . . . . 4838 2 21 . 2 2 6 6 LYS HG2 H 1 1.15 0.02 . 1 . . . . . . . . . 4838 2 22 . 2 2 6 6 LYS HD3 H 1 1.27 0.02 . 1 . . . . . . . . . 4838 2 23 . 2 2 7 7 HIS H H 1 8.32 0.02 . 1 . . . . . . . . . 4838 2 24 . 2 2 7 7 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . . 4838 2 25 . 2 2 7 7 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . . 4838 2 26 . 2 2 7 7 HIS HB3 H 1 3.16 0.02 . 1 . . . . . . . . . 4838 2 27 . 2 2 8 8 TRP H H 1 8.05 0.02 . 1 . . . . . . . . . 4838 2 28 . 2 2 8 8 TRP HA H 1 5.15 0.02 . 1 . . . . . . . . . 4838 2 29 . 2 2 8 8 TRP HB2 H 1 3.24 0.02 . 1 . . . . . . . . . 4838 2 30 . 2 2 8 8 TRP HB3 H 1 3.01 0.02 . 1 . . . . . . . . . 4838 2 31 . 2 2 9 9 VAL H H 1 9.48 0.02 . 1 . . . . . . . . . 4838 2 32 . 2 2 9 9 VAL HA H 1 4.53 0.02 . 1 . . . . . . . . . 4838 2 33 . 2 2 9 9 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . . 4838 2 34 . 2 2 9 9 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 35 . 2 2 9 9 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 36 . 2 2 9 9 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . . 4838 2 37 . 2 2 9 9 VAL HG21 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 38 . 2 2 9 9 VAL HG22 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 39 . 2 2 9 9 VAL HG23 H 1 0.77 0.02 . 1 . . . . . . . . . 4838 2 40 . 2 2 10 10 TYR H H 1 8.86 0.02 . 1 . . . . . . . . . 4838 2 41 . 2 2 10 10 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 2 42 . 2 2 10 10 TYR HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 2 43 . 2 2 10 10 TYR HB3 H 1 2.78 0.02 . 1 . . . . . . . . . 4838 2 44 . 2 2 11 11 TYR H H 1 9.41 0.02 . 1 . . . . . . . . . 4838 2 45 . 2 2 11 11 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . . 4838 2 46 . 2 2 11 11 TYR HB2 H 1 3.31 0.02 . 1 . . . . . . . . . 4838 2 47 . 2 2 11 11 TYR HB3 H 1 2.93 0.02 . 1 . . . . . . . . . 4838 2 48 . 2 2 12 12 THR H H 1 9.47 0.02 . 1 . . . . . . . . . 4838 2 49 . 2 2 12 12 THR HA H 1 4.52 0.02 . 1 . . . . . . . . . 4838 2 50 . 2 2 12 12 THR HB H 1 3.67 0.02 . 1 . . . . . . . . . 4838 2 51 . 2 2 12 12 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 52 . 2 2 12 12 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 53 . 2 2 12 12 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . . 4838 2 54 . 2 2 13 13 CYS H H 1 8.25 0.02 . 1 . . . . . . . . . 4838 2 55 . 2 2 13 13 CYS HA H 1 4.34 0.02 . 1 . . . . . . . . . 4838 2 56 . 2 2 13 13 CYS HB2 H 1 3.80 0.02 . 1 . . . . . . . . . 4838 2 57 . 2 2 13 13 CYS HB3 H 1 3.66 0.02 . 1 . . . . . . . . . 4838 2 58 . 2 2 14 14 CYS H H 1 7.35 0.02 . 1 . . . . . . . . . 4838 2 59 . 2 2 14 14 CYS HA H 1 5.49 0.02 . 1 . . . . . . . . . 4838 2 60 . 2 2 14 14 CYS HB2 H 1 3.97 0.02 . 1 . . . . . . . . . 4838 2 61 . 2 2 14 14 CYS HB3 H 1 3.53 0.02 . 1 . . . . . . . . . 4838 2 62 . 2 2 15 15 PRO HA H 1 4.15 0.02 . 1 . . . . . . . . . 4838 2 63 . 2 2 15 15 PRO HB2 H 1 1.9 0.02 . 1 . . . . . . . . . 4838 2 64 . 2 2 15 15 PRO HG2 H 1 1.7 0.02 . 1 . . . . . . . . . 4838 2 65 . 2 2 15 15 PRO HD2 H 1 3.33 0.02 . 1 . . . . . . . . . 4838 2 66 . 2 2 16 16 ASP H H 1 8.19 0.02 . 1 . . . . . . . . . 4838 2 67 . 2 2 16 16 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . . 4838 2 68 . 2 2 16 16 ASP HB2 H 1 2.89 0.02 . 1 . . . . . . . . . 4838 2 69 . 2 2 16 16 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . . 4838 2 70 . 2 2 17 17 THR H H 1 7.01 0.02 . 1 . . . . . . . . . 4838 2 71 . 2 2 17 17 THR HA H 1 4.74 0.02 . 1 . . . . . . . . . 4838 2 72 . 2 2 17 17 THR HB H 1 4.00 0.02 . 1 . . . . . . . . . 4838 2 73 . 2 2 17 17 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 74 . 2 2 17 17 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 75 . 2 2 17 17 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 76 . 2 2 18 18 PRO HA H 1 3.5 0.02 . 1 . . . . . . . . . 4838 2 77 . 2 2 18 18 PRO HB2 H 1 1.43 0.02 . 1 . . . . . . . . . 4838 2 78 . 2 2 18 18 PRO HG2 H 1 1.4 0.02 . 1 . . . . . . . . . 4838 2 79 . 2 2 18 18 PRO HD2 H 1 3.00 0.02 . 1 . . . . . . . . . 4838 2 80 . 2 2 19 19 TYR H H 1 9.37 0.02 . 1 . . . . . . . . . 4838 2 81 . 2 2 19 19 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . . 4838 2 82 . 2 2 19 19 TYR HB2 H 1 3.02 0.02 . 1 . . . . . . . . . 4838 2 83 . 2 2 20 20 LEU H H 1 8.63 0.02 . 1 . . . . . . . . . 4838 2 84 . 2 2 20 20 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . . 4838 2 85 . 2 2 20 20 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . . 4838 2 86 . 2 2 20 20 LEU HG H 1 1.29 0.02 . 1 . . . . . . . . . 4838 2 87 . 2 2 20 20 LEU HD11 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 88 . 2 2 20 20 LEU HD12 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 89 . 2 2 20 20 LEU HD13 H 1 0.58 0.02 . 1 . . . . . . . . . 4838 2 90 . 2 2 20 20 LEU HD21 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 91 . 2 2 20 20 LEU HD22 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 92 . 2 2 20 20 LEU HD23 H 1 0.31 0.02 . 1 . . . . . . . . . 4838 2 93 . 2 2 21 21 ASP H H 1 8.54 0.02 . 1 . . . . . . . . . 4838 2 94 . 2 2 21 21 ASP HA H 1 4.89 0.02 . 1 . . . . . . . . . 4838 2 95 . 2 2 21 21 ASP HB2 H 1 2.75 0.02 . 1 . . . . . . . . . 4838 2 96 . 2 2 21 21 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 4838 2 97 . 2 2 22 22 ILE H H 1 8.31 0.02 . 1 . . . . . . . . . 4838 2 98 . 2 2 22 22 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . . 4838 2 99 . 2 2 22 22 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . . 4838 2 100 . 2 2 22 22 ILE HG12 H 1 1.37 0.02 . 1 . . . . . . . . . 4838 2 101 . 2 2 22 22 ILE HG13 H 1 1.22 0.02 . 1 . . . . . . . . . 4838 2 102 . 2 2 22 22 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 103 . 2 2 22 22 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 104 . 2 2 22 22 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . . 4838 2 105 . 2 2 23 23 THR H H 1 8.36 0.02 . 1 . . . . . . . . . 4838 2 106 . 2 2 23 23 THR HA H 1 4.38 0.02 . 1 . . . . . . . . . 4838 2 107 . 2 2 23 23 THR HB H 1 3.29 0.02 . 1 . . . . . . . . . 4838 2 108 . 2 2 23 23 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 109 . 2 2 23 23 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 110 . 2 2 23 23 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . . 4838 2 111 . 2 2 24 24 GLU H H 1 8.39 0.02 . 1 . . . . . . . . . 4838 2 112 . 2 2 24 24 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . . 4838 2 113 . 2 2 24 24 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . . 4838 2 114 . 2 2 24 24 GLU HB3 H 1 2.44 0.02 . 1 . . . . . . . . . 4838 2 115 . 2 2 24 24 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . . 4838 2 116 . 2 2 25 25 GLU H H 1 8.00 0.02 . 1 . . . . . . . . . 4838 2 117 . 2 2 25 25 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . . 4838 2 118 . 2 2 25 25 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . . 4838 2 119 . 2 2 25 25 GLU HG2 H 1 2.37 0.02 . 1 . . . . . . . . . 4838 2 120 . 2 2 25 25 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . . 4838 2 stop_ save_