################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 unknown . . isotropic 7156 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 1 1 SER HA H 1 4.12 . . . . . . . 1 SER HA . 7156 1 2 . 1 1 1 1 SER HB2 H 1 3.9 . . . . . . . 1 SER HB2 . 7156 1 3 . 1 1 2 2 ARG H H 1 8.74 . . . . . . . 2 ARG H . 7156 1 4 . 1 1 2 2 ARG HA H 1 4.28 . . . . . . . 2 ARG HA . 7156 1 5 . 1 1 2 2 ARG HB2 H 1 1.59 . . . . . . . 2 ARG HB2 . 7156 1 6 . 1 1 2 2 ARG HG2 H 1 1.34 . . . . . . . 2 ARG HG2 . 7156 1 7 . 1 1 2 2 ARG HG3 H 1 1.34 . . . . . . . 2 ARG HG3 . 7156 1 8 . 1 1 2 2 ARG HD2 H 1 3.06 . . . . . . . 2 ARG HD2 . 7156 1 9 . 1 1 2 2 ARG HD3 H 1 3.06 . . . . . . . 2 ARG HD3 . 7156 1 10 . 1 1 2 2 ARG HH11 H 1 7.2 . . . . . . . 2 ARG NH1 . 7156 1 11 . 1 1 3 3 TRP H H 1 8.36 . . . . . . . 3 TRP H . 7156 1 12 . 1 1 3 3 TRP HA H 1 4.66 . . . . . . . 3 TRP HA . 7156 1 13 . 1 1 3 3 TRP HB2 H 1 3.2 . . . . . . . 3 TRP HB2 . 7156 1 14 . 1 1 3 3 TRP HB3 H 1 3.17 . . . . . . . 3 TRP HB3 . 7156 1 15 . 1 1 3 3 TRP HD1 H 1 7.23 . . . . . . . 3 TRP HD1 . 7156 1 16 . 1 1 3 3 TRP HE1 H 1 9.47 . . . . . . . 3 TRP HE1 . 7156 1 17 . 1 1 3 3 TRP HE3 H 1 7.47 . . . . . . . 3 TRP HE3 . 7156 1 18 . 1 1 3 3 TRP HZ2 H 1 7.57 . . . . . . . 3 TRP HZ2 . 7156 1 19 . 1 1 3 3 TRP HZ3 H 1 7.23 . . . . . . . 3 TRP HZ3 . 7156 1 20 . 1 1 3 3 TRP HH2 H 1 7.14 . . . . . . . 3 TRP HH2 . 7156 1 21 . 1 1 4 4 TYR H H 1 7.92 . . . . . . . 4 TYR H . 7156 1 22 . 1 1 4 4 TYR HA H 1 4.43 . . . . . . . 4 TYR HA . 7156 1 23 . 1 1 4 4 TYR HB2 H 1 2.83 . . . . . . . 4 TYR HB2 . 7156 1 24 . 1 1 4 4 TYR HB3 H 1 2.78 . . . . . . . 4 TYR HB3 . 7156 1 25 . 1 1 4 4 TYR HD1 H 1 7.03 . . . . . . . 4 TYR HD1 . 7156 1 26 . 1 1 4 4 TYR HD2 H 1 7.03 . . . . . . . 4 TYR HD2 . 7156 1 27 . 1 1 4 4 TYR HE1 H 1 6.76 . . . . . . . 4 TYR HE1 . 7156 1 28 . 1 1 4 4 TYR HE2 H 1 6.76 . . . . . . . 4 TYR HE2 . 7156 1 29 . 1 1 5 5 ASN H H 1 8.29 . . . . . . . 5 ASN H . 7156 1 30 . 1 1 5 5 ASN HA H 1 4.47 . . . . . . . 5 ASN HA . 7156 1 31 . 1 1 5 5 ASN HB2 H 1 2.73 . . . . . . . 5 ASN HB2 . 7156 1 32 . 1 1 5 5 ASN HB3 H 1 2.58 . . . . . . . 5 ASN HB3 . 7156 1 33 . 1 1 5 5 ASN HD21 H 1 7.68 . . . . . . . 5 ASN HD21 . 7156 1 34 . 1 1 5 5 ASN HD22 H 1 6.99 . . . . . . . 5 ASN HD22 . 7156 1 35 . 1 1 6 6 GLN H H 1 8.36 . . . . . . . 6 GLN H . 7156 1 36 . 1 1 6 6 GLN HA H 1 4.31 . . . . . . . 6 GLN HA . 7156 1 37 . 1 1 6 6 GLN HB2 H 1 1.91 . . . . . . . 6 GLN HB2 . 7156 1 38 . 1 1 6 6 GLN HG2 H 1 2.27 . . . . . . . 6 GLN HG2 . 7156 1 39 . 1 1 6 6 GLN HG3 H 1 2.07 . . . . . . . 6 GLN HG3 . 7156 1 40 . 1 1 6 6 GLN HE21 H 1 7.57 . . . . . . . 6 GLN HE21 . 7156 1 41 . 1 1 6 6 GLN HE22 H 1 6.91 . . . . . . . 6 GLN HE22 . 7156 1 42 . 1 1 7 7 THR H H 1 8.37 . . . . . . . 7 THR H . 7156 1 43 . 1 1 7 7 THR HA H 1 4.44 . . . . . . . 7 THR HA . 7156 1 44 . 1 1 7 7 THR HB H 1 4.15 . . . . . . . 7 THR HB . 7156 1 45 . 1 1 7 7 THR HG21 H 1 1.12 . . . . . . . 7 THR HG2 . 7156 1 46 . 1 1 7 7 THR HG22 H 1 1.12 . . . . . . . 7 THR HG2 . 7156 1 47 . 1 1 7 7 THR HG23 H 1 1.12 . . . . . . . 7 THR HG2 . 7156 1 48 . 1 1 8 8 PRO HA H 1 4.38 . . . . . . . 8 PRO HA . 7156 1 49 . 1 1 8 8 PRO HB2 H 1 2.27 . . . . . . . 8 PRO HB2 . 7156 1 50 . 1 1 8 8 PRO HG2 H 1 1.98 . . . . . . . 8 PRO HG2 . 7156 1 51 . 1 1 8 8 PRO HG3 H 1 1.98 . . . . . . . 8 PRO HG3 . 7156 1 52 . 1 1 8 8 PRO HD2 H 1 3.82 . . . . . . . 8 PRO HD2 . 7156 1 53 . 1 1 8 8 PRO HD3 H 1 3.69 . . . . . . . 8 PRO HD3 . 7156 1 54 . 1 1 9 9 ASN H H 1 8.65 . . . . . . . 9 ASN H . 7156 1 55 . 1 1 9 9 ASN HA H 1 4.63 . . . . . . . 9 ASN HA . 7156 1 56 . 1 1 9 9 ASN HB2 H 1 2.79 . . . . . . . 9 ASN HB2 . 7156 1 57 . 1 1 9 9 ASN HB3 H 1 2.76 . . . . . . . 9 ASN HB3 . 7156 1 58 . 1 1 9 9 ASN HD21 H 1 7.73 . . . . . . . 9 ASN HD21 . 7156 1 59 . 1 1 9 9 ASN HD22 H 1 7.05 . . . . . . . 9 ASN HD22 . 7156 1 60 . 1 1 10 10 ARG H H 1 8.47 . . . . . . . 10 ARG H . 7156 1 61 . 1 1 10 10 ARG HA H 1 4.31 . . . . . . . 10 ARG HA . 7156 1 62 . 1 1 10 10 ARG HB2 H 1 1.77 . . . . . . . 10 ARG HB2 . 7156 1 63 . 1 1 10 10 ARG HB3 H 1 1.73 . . . . . . . 10 ARG HB3 . 7156 1 64 . 1 1 10 10 ARG HG2 H 1 1.62 . . . . . . . 10 ARG HG2 . 7156 1 65 . 1 1 10 10 ARG HG3 H 1 1.62 . . . . . . . 10 ARG HG3 . 7156 1 66 . 1 1 10 10 ARG HD2 H 1 3.19 . . . . . . . 10 ARG HD2 . 7156 1 67 . 1 1 10 10 ARG HD3 H 1 3.19 . . . . . . . 10 ARG HD3 . 7156 1 68 . 1 1 10 10 ARG HH11 H 1 7.2 . . . . . . . 10 ARG NH1 . 7156 1 69 . 1 1 11 11 ALA H H 1 8.36 . . . . . . . 11 ALA H . 7156 1 70 . 1 1 11 11 ALA HA H 1 4.27 . . . . . . . 11 ALA HA . 7156 1 71 . 1 1 11 11 ALA HB1 H 1 1.37 . . . . . . . 11 ALA HB . 7156 1 72 . 1 1 11 11 ALA HB2 H 1 1.37 . . . . . . . 11 ALA HB . 7156 1 73 . 1 1 11 11 ALA HB3 H 1 1.37 . . . . . . . 11 ALA HB . 7156 1 74 . 1 1 12 12 LYS H H 1 8.36 . . . . . . . 12 LYS H . 7156 1 75 . 1 1 12 12 LYS HA H 1 4.25 . . . . . . . 12 LYS HA . 7156 1 76 . 1 1 12 12 LYS HB2 H 1 1.8 . . . . . . . 12 LYS HB2 . 7156 1 77 . 1 1 12 12 LYS HB3 H 1 1.75 . . . . . . . 12 LYS HB3 . 7156 1 78 . 1 1 12 12 LYS HG2 H 1 1.46 . . . . . . . 12 LYS HG2 . 7156 1 79 . 1 1 12 12 LYS HG3 H 1 1.4 . . . . . . . 12 LYS HG3 . 7156 1 80 . 1 1 12 12 LYS HD2 H 1 1.67 . . . . . . . 12 LYS HD2 . 7156 1 81 . 1 1 12 12 LYS HD3 H 1 1.67 . . . . . . . 12 LYS HD3 . 7156 1 82 . 1 1 12 12 LYS HE2 H 1 3 . . . . . . . 12 LYS HE2 . 7156 1 83 . 1 1 12 12 LYS HE3 H 1 3 . . . . . . . 12 LYS HE3 . 7156 1 84 . 1 1 13 13 ARG H H 1 8.36 . . . . . . . 13 ARG H . 7156 1 85 . 1 1 13 13 ARG HA H 1 4.35 . . . . . . . 13 ARG HA . 7156 1 86 . 1 1 13 13 ARG HB2 H 1 1.8 . . . . . . . 13 ARG HB2 . 7156 1 87 . 1 1 13 13 ARG HB3 H 1 1.75 . . . . . . . 13 ARG HB3 . 7156 1 88 . 1 1 13 13 ARG HG2 H 1 1.6 . . . . . . . 13 ARG HG2 . 7156 1 89 . 1 1 13 13 ARG HG3 H 1 1.65 . . . . . . . 13 ARG HG3 . 7156 1 90 . 1 1 13 13 ARG HD2 H 1 3.2 . . . . . . . 13 ARG HD2 . 7156 1 91 . 1 1 13 13 ARG HD3 H 1 3.2 . . . . . . . 13 ARG HD3 . 7156 1 92 . 1 1 14 14 VAL H H 1 8.51 . . . . . . . 14 VAL H . 7156 1 93 . 1 1 14 14 VAL HA H 1 4.09 . . . . . . . 14 VAL HA . 7156 1 94 . 1 1 14 14 VAL HB H 1 2.02 . . . . . . . 14 VAL HB . 7156 1 95 . 1 1 14 14 VAL HG11 H 1 0.93 . . . . . . . 14 VAL HG1 . 7156 1 96 . 1 1 14 14 VAL HG12 H 1 0.93 . . . . . . . 14 VAL HG1 . 7156 1 97 . 1 1 14 14 VAL HG13 H 1 0.93 . . . . . . . 14 VAL HG1 . 7156 1 98 . 1 1 14 14 VAL HG21 H 1 0.89 . . . . . . . 14 VAL HG2 . 7156 1 99 . 1 1 14 14 VAL HG22 H 1 0.89 . . . . . . . 14 VAL HG2 . 7156 1 100 . 1 1 14 14 VAL HG23 H 1 0.89 . . . . . . . 14 VAL HG2 . 7156 1 101 . 1 1 15 15 ILE H H 1 8.57 . . . . . . . 15 ILE H . 7156 1 102 . 1 1 15 15 ILE HA H 1 4.26 . . . . . . . 15 ILE HA . 7156 1 103 . 1 1 15 15 ILE HB H 1 1.86 . . . . . . . 15 ILE HB . 7156 1 104 . 1 1 15 15 ILE HG12 H 1 1.47 . . . . . . . 15 ILE HG12 . 7156 1 105 . 1 1 15 15 ILE HG13 H 1 1.18 . . . . . . . 15 ILE HG13 . 7156 1 106 . 1 1 15 15 ILE HG21 H 1 0.87 . . . . . . . 15 ILE HG2 . 7156 1 107 . 1 1 15 15 ILE HG22 H 1 0.87 . . . . . . . 15 ILE HG2 . 7156 1 108 . 1 1 15 15 ILE HG23 H 1 0.87 . . . . . . . 15 ILE HG2 . 7156 1 109 . 1 1 15 15 ILE HD11 H 1 0.83 . . . . . . . 15 ILE HD1 . 7156 1 110 . 1 1 15 15 ILE HD12 H 1 0.83 . . . . . . . 15 ILE HD1 . 7156 1 111 . 1 1 15 15 ILE HD13 H 1 0.83 . . . . . . . 15 ILE HD1 . 7156 1 112 . 1 1 16 16 THR H H 1 8.39 . . . . . . . 16 THR H . 7156 1 113 . 1 1 16 16 THR HA H 1 4.31 . . . . . . . 16 THR HA . 7156 1 114 . 1 1 16 16 THR HB H 1 4.24 . . . . . . . 16 THR HB . 7156 1 115 . 1 1 16 16 THR HG21 H 1 1.24 . . . . . . . 16 THR HG2 . 7156 1 116 . 1 1 16 16 THR HG22 H 1 1.24 . . . . . . . 16 THR HG2 . 7156 1 117 . 1 1 16 16 THR HG23 H 1 1.24 . . . . . . . 16 THR HG2 . 7156 1 118 . 1 1 17 17 THR H H 1 8.45 . . . . . . . 17 THR H . 7156 1 119 . 1 1 17 17 THR HA H 1 4.41 . . . . . . . 17 THR HA . 7156 1 120 . 1 1 17 17 THR HB H 1 4.29 . . . . . . . 17 THR HB . 7156 1 121 . 1 1 17 17 THR HG21 H 1 1.15 . . . . . . . 17 THR HG2 . 7156 1 122 . 1 1 17 17 THR HG22 H 1 1.15 . . . . . . . 17 THR HG2 . 7156 1 123 . 1 1 17 17 THR HG23 H 1 1.15 . . . . . . . 17 THR HG2 . 7156 1 124 . 1 1 18 18 PHE H H 1 8.4 . . . . . . . 18 PHE H . 7156 1 125 . 1 1 18 18 PHE HA H 1 4.59 . . . . . . . 18 PHE HA . 7156 1 126 . 1 1 18 18 PHE HB2 H 1 3.08 . . . . . . . 18 PHE HB2 . 7156 1 127 . 1 1 18 18 PHE HB3 H 1 3.03 . . . . . . . 18 PHE HB3 . 7156 1 128 . 1 1 18 18 PHE HD1 H 1 7.22 . . . . . . . 18 PHE HD1 . 7156 1 129 . 1 1 18 18 PHE HD2 H 1 7.22 . . . . . . . 18 PHE HD2 . 7156 1 130 . 1 1 18 18 PHE HE1 H 1 7.28 . . . . . . . 18 PHE HE1 . 7156 1 131 . 1 1 18 18 PHE HE2 H 1 7.28 . . . . . . . 18 PHE HE2 . 7156 1 132 . 1 1 18 18 PHE HZ H 1 7.34 . . . . . . . 18 PHE HZ . 7156 1 133 . 1 1 19 19 ARG H H 1 8.39 . . . . . . . 19 ARG H . 7156 1 134 . 1 1 19 19 ARG HA H 1 4.39 . . . . . . . 19 ARG HA . 7156 1 135 . 1 1 19 19 ARG HB2 H 1 1.77 . . . . . . . 19 ARG HB2 . 7156 1 136 . 1 1 19 19 ARG HB3 H 1 1.73 . . . . . . . 19 ARG HB3 . 7156 1 137 . 1 1 19 19 ARG HG2 H 1 1.54 . . . . . . . 19 ARG HG2 . 7156 1 138 . 1 1 19 19 ARG HG3 H 1 1.54 . . . . . . . 19 ARG HG3 . 7156 1 139 . 1 1 19 19 ARG HD2 H 1 3.17 . . . . . . . 19 ARG HD2 . 7156 1 140 . 1 1 19 19 ARG HD3 H 1 3.17 . . . . . . . 19 ARG HD3 . 7156 1 141 . 1 1 19 19 ARG HH11 H 1 7.2 . . . . . . . 19 ARG NH1 . 7156 1 142 . 1 1 20 20 THR H H 1 8.21 . . . . . . . 20 THR H . 7156 1 143 . 1 1 20 20 THR HA H 1 4.31 . . . . . . . 20 THR HA . 7156 1 144 . 1 1 20 20 THR HB H 1 4.19 . . . . . . . 20 THR HB . 7156 1 145 . 1 1 20 20 THR HG21 H 1 1.24 . . . . . . . 20 THR HG2 . 7156 1 146 . 1 1 20 20 THR HG22 H 1 1.24 . . . . . . . 20 THR HG2 . 7156 1 147 . 1 1 20 20 THR HG23 H 1 1.24 . . . . . . . 20 THR HG2 . 7156 1 148 . 1 1 21 21 GLY H H 1 8.61 . . . . . . . 21 GLY H . 7156 1 149 . 1 1 21 21 GLY HA2 H 1 4.04 . . . . . . . 21 GLY HA2 . 7156 1 150 . 1 1 22 22 THR H H 1 7.91 . . . . . . . 22 THR H . 7156 1 151 . 1 1 22 22 THR HA H 1 4.21 . . . . . . . 22 THR HA . 7156 1 152 . 1 1 22 22 THR HB H 1 4.16 . . . . . . . 22 THR HB . 7156 1 153 . 1 1 22 22 THR HG21 H 1 1.24 . . . . . . . 22 THR HG2 . 7156 1 154 . 1 1 22 22 THR HG22 H 1 1.24 . . . . . . . 22 THR HG2 . 7156 1 155 . 1 1 22 22 THR HG23 H 1 1.24 . . . . . . . 22 THR HG2 . 7156 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7156 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . . 2 $sample_2 isotropic 7156 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 1 1 SER HA H 1 4.19 . . . . . . . 1 SER HA . 7156 2 2 . 1 1 1 1 SER HB2 H 1 3.97 . . . . . . . 1 SER HB2 . 7156 2 3 . 1 1 2 2 ARG H H 1 8.77 . . . . . . . 2 ARG H . 7156 2 4 . 1 1 2 2 ARG HA H 1 4.32 . . . . . . . 2 ARG HA . 7156 2 5 . 1 1 2 2 ARG HB2 H 1 1.56 . . . . . . . 2 ARG HB2 . 7156 2 6 . 1 1 2 2 ARG HG2 H 1 1.57 . . . . . . . 2 ARG HG2 . 7156 2 7 . 1 1 2 2 ARG HG3 H 1 1.57 . . . . . . . 2 ARG HG3 . 7156 2 8 . 1 1 2 2 ARG HD2 H 1 3.21 . . . . . . . 2 ARG HD2 . 7156 2 9 . 1 1 2 2 ARG HD3 H 1 3.21 . . . . . . . 2 ARG HD3 . 7156 2 10 . 1 1 2 2 ARG HH11 H 1 7.26 . . . . . . . 2 ARG NH1 . 7156 2 11 . 1 1 3 3 TRP H H 1 8.16 . . . . . . . 3 TRP H . 7156 2 12 . 1 1 3 3 TRP HA H 1 4.61 . . . . . . . 3 TRP HA . 7156 2 13 . 1 1 3 3 TRP HB2 H 1 2.85 . . . . . . . 3 TRP HB2 . 7156 2 14 . 1 1 3 3 TRP HB3 H 1 2.7 . . . . . . . 3 TRP HB3 . 7156 2 15 . 1 1 3 3 TRP HD1 H 1 7.25 . . . . . . . 3 TRP HD1 . 7156 2 16 . 1 1 3 3 TRP HE1 H 1 9.46 . . . . . . . 3 TRP HE1 . 7156 2 17 . 1 1 3 3 TRP HE3 H 1 7.5 . . . . . . . 3 TRP HE3 . 7156 2 18 . 1 1 3 3 TRP HZ2 H 1 7.6 . . . . . . . 3 TRP HZ2 . 7156 2 19 . 1 1 3 3 TRP HZ3 H 1 7.25 . . . . . . . 3 TRP HZ3 . 7156 2 20 . 1 1 3 3 TRP HH2 H 1 7.17 . . . . . . . 3 TRP HH2 . 7156 2 21 . 1 1 4 4 TYR H H 1 7.4 . . . . . . . 4 TYR H . 7156 2 22 . 1 1 4 4 TYR HA H 1 4.35 . . . . . . . 4 TYR HA . 7156 2 23 . 1 1 4 4 TYR HB2 H 1 2.85 . . . . . . . 4 TYR HB2 . 7156 2 24 . 1 1 4 4 TYR HB3 H 1 2.66 . . . . . . . 4 TYR HB3 . 7156 2 25 . 1 1 4 4 TYR HD1 H 1 7.01 . . . . . . . 4 TYR HD1 . 7156 2 26 . 1 1 4 4 TYR HD2 H 1 7.01 . . . . . . . 4 TYR HD2 . 7156 2 27 . 1 1 4 4 TYR HE1 H 1 6.8 . . . . . . . 4 TYR HE1 . 7156 2 28 . 1 1 4 4 TYR HE2 H 1 6.8 . . . . . . . 4 TYR HE2 . 7156 2 29 . 1 1 5 5 ASN H H 1 8.04 . . . . . . . 5 ASN H . 7156 2 30 . 1 1 5 5 ASN HA H 1 4.6 . . . . . . . 5 ASN HA . 7156 2 31 . 1 1 5 5 ASN HB2 H 1 3.25 . . . . . . . 5 ASN HB2 . 7156 2 32 . 1 1 5 5 ASN HB3 H 1 3.3 . . . . . . . 5 ASN HB3 . 7156 2 33 . 1 1 5 5 ASN HD21 H 1 7.6 . . . . . . . 5 ASN HD21 . 7156 2 34 . 1 1 5 5 ASN HD22 H 1 6.9 . . . . . . . 5 ASN HD22 . 7156 2 35 . 1 1 6 6 GLN H H 1 8.16 . . . . . . . 6 GLN H . 7156 2 36 . 1 1 6 6 GLN HA H 1 4.4 . . . . . . . 6 GLN HA . 7156 2 37 . 1 1 6 6 GLN HB2 H 1 2.36 . . . . . . . 6 GLN HB2 . 7156 2 38 . 1 1 6 6 GLN HB3 H 1 2 . . . . . . . 6 GLN HB3 . 7156 2 39 . 1 1 6 6 GLN HG2 H 1 7.5 . . . . . . . 6 GLN HG2 . 7156 2 40 . 1 1 6 6 GLN HG3 H 1 6.75 . . . . . . . 6 GLN HG3 . 7156 2 41 . 1 1 6 6 GLN HE21 H 1 2.35 . . . . . . . 6 GLN HE21 . 7156 2 42 . 1 1 6 6 GLN HE22 H 1 2.23 . . . . . . . 6 GLN HE22 . 7156 2 43 . 1 1 7 7 THR H H 1 8.19 . . . . . . . 7 THR H . 7156 2 44 . 1 1 7 7 THR HA H 1 4.49 . . . . . . . 7 THR HA . 7156 2 45 . 1 1 7 7 THR HB H 1 4.26 . . . . . . . 7 THR HB . 7156 2 46 . 1 1 7 7 THR HG21 H 1 1.28 . . . . . . . 7 THR HG2 . 7156 2 47 . 1 1 7 7 THR HG22 H 1 1.28 . . . . . . . 7 THR HG2 . 7156 2 48 . 1 1 7 7 THR HG23 H 1 1.28 . . . . . . . 7 THR HG2 . 7156 2 49 . 1 1 8 8 PRO HA H 1 4.39 . . . . . . . 8 PRO HA . 7156 2 50 . 1 1 8 8 PRO HB2 H 1 2.33 . . . . . . . 8 PRO HB2 . 7156 2 51 . 1 1 8 8 PRO HG2 H 1 2.1 . . . . . . . 8 PRO HG2 . 7156 2 52 . 1 1 8 8 PRO HG3 H 1 2.03 . . . . . . . 8 PRO HG3 . 7156 2 53 . 1 1 8 8 PRO HD2 H 1 3.82 . . . . . . . 8 PRO HD2 . 7156 2 54 . 1 1 8 8 PRO HD3 H 1 3.73 . . . . . . . 8 PRO HD3 . 7156 2 55 . 1 1 9 9 ASN H H 1 8.16 . . . . . . . 9 ASN H . 7156 2 56 . 1 1 9 9 ASN HA H 1 4.6 . . . . . . . 9 ASN HA . 7156 2 57 . 1 1 9 9 ASN HB2 H 1 2.94 . . . . . . . 9 ASN HB2 . 7156 2 58 . 1 1 9 9 ASN HB3 H 1 2.87 . . . . . . . 9 ASN HB3 . 7156 2 59 . 1 1 9 9 ASN HD21 H 1 7.73 . . . . . . . 9 ASN HD21 . 7156 2 60 . 1 1 9 9 ASN HD22 H 1 6.88 . . . . . . . 9 ASN HD22 . 7156 2 61 . 1 1 10 10 ARG H H 1 8.31 . . . . . . . 10 ARG H . 7156 2 62 . 1 1 10 10 ARG HA H 1 4.07 . . . . . . . 10 ARG HA . 7156 2 63 . 1 1 10 10 ARG HB2 H 1 1.92 . . . . . . . 10 ARG HB2 . 7156 2 64 . 1 1 10 10 ARG HB3 H 1 1.73 . . . . . . . 10 ARG HB3 . 7156 2 65 . 1 1 10 10 ARG HG2 H 1 1.65 . . . . . . . 10 ARG HG2 . 7156 2 66 . 1 1 10 10 ARG HG3 H 1 1.65 . . . . . . . 10 ARG HG3 . 7156 2 67 . 1 1 10 10 ARG HD2 H 1 3.2 . . . . . . . 10 ARG HD2 . 7156 2 68 . 1 1 10 10 ARG HD3 H 1 3.2 . . . . . . . 10 ARG HD3 . 7156 2 69 . 1 1 10 10 ARG HH11 H 1 7.26 . . . . . . . 10 ARG NH1 . 7156 2 70 . 1 1 11 11 ALA H H 1 8.08 . . . . . . . 11 ALA H . 7156 2 71 . 1 1 11 11 ALA HA H 1 4.09 . . . . . . . 11 ALA HA . 7156 2 72 . 1 1 11 11 ALA HB1 H 1 1.47 . . . . . . . 11 ALA HB . 7156 2 73 . 1 1 11 11 ALA HB2 H 1 1.47 . . . . . . . 11 ALA HB . 7156 2 74 . 1 1 11 11 ALA HB3 H 1 1.47 . . . . . . . 11 ALA HB . 7156 2 75 . 1 1 12 12 LYS H H 1 7.97 . . . . . . . 12 LYS H . 7156 2 76 . 1 1 12 12 LYS HA H 1 4 . . . . . . . 12 LYS HA . 7156 2 77 . 1 1 12 12 LYS HB2 H 1 1.94 . . . . . . . 12 LYS HB2 . 7156 2 78 . 1 1 12 12 LYS HB3 H 1 1.78 . . . . . . . 12 LYS HB3 . 7156 2 79 . 1 1 12 12 LYS HG2 H 1 1.57 . . . . . . . 12 LYS HG2 . 7156 2 80 . 1 1 12 12 LYS HG3 H 1 1.57 . . . . . . . 12 LYS HG3 . 7156 2 81 . 1 1 12 12 LYS HD2 H 1 1.72 . . . . . . . 12 LYS HD2 . 7156 2 82 . 1 1 12 12 LYS HD3 H 1 1.72 . . . . . . . 12 LYS HD3 . 7156 2 83 . 1 1 12 12 LYS HE2 H 1 2.96 . . . . . . . 12 LYS HE2 . 7156 2 84 . 1 1 12 12 LYS HE3 H 1 2.96 . . . . . . . 12 LYS HE3 . 7156 2 85 . 1 1 13 13 ARG H H 1 7.97 . . . . . . . 13 ARG H . 7156 2 86 . 1 1 13 13 ARG HA H 1 4.1 . . . . . . . 13 ARG HA . 7156 2 87 . 1 1 13 13 ARG HB2 H 1 2.1 . . . . . . . 13 ARG HB2 . 7156 2 88 . 1 1 13 13 ARG HB3 H 1 2 . . . . . . . 13 ARG HB3 . 7156 2 89 . 1 1 13 13 ARG HG2 H 1 1.75 . . . . . . . 13 ARG HG2 . 7156 2 90 . 1 1 13 13 ARG HG3 H 1 1.65 . . . . . . . 13 ARG HG3 . 7156 2 91 . 1 1 13 13 ARG HD2 H 1 3.2 . . . . . . . 13 ARG HD2 . 7156 2 92 . 1 1 13 13 ARG HD3 H 1 3.2 . . . . . . . 13 ARG HD3 . 7156 2 93 . 1 1 13 13 ARG HH11 H 1 7.3 . . . . . . . 13 ARG NH1 . 7156 2 94 . 1 1 14 14 VAL H H 1 8.21 . . . . . . . 14 VAL H . 7156 2 95 . 1 1 14 14 VAL HA H 1 3.66 . . . . . . . 14 VAL HA . 7156 2 96 . 1 1 14 14 VAL HB H 1 2.24 . . . . . . . 14 VAL HB . 7156 2 97 . 1 1 14 14 VAL HG11 H 1 1.07 . . . . . . . 14 VAL HG1 . 7156 2 98 . 1 1 14 14 VAL HG12 H 1 1.07 . . . . . . . 14 VAL HG1 . 7156 2 99 . 1 1 14 14 VAL HG13 H 1 1.07 . . . . . . . 14 VAL HG1 . 7156 2 100 . 1 1 14 14 VAL HG21 H 1 0.93 . . . . . . . 14 VAL HG2 . 7156 2 101 . 1 1 14 14 VAL HG22 H 1 0.93 . . . . . . . 14 VAL HG2 . 7156 2 102 . 1 1 14 14 VAL HG23 H 1 0.93 . . . . . . . 14 VAL HG2 . 7156 2 103 . 1 1 15 15 ILE H H 1 8.56 . . . . . . . 15 ILE H . 7156 2 104 . 1 1 15 15 ILE HA H 1 3.8 . . . . . . . 15 ILE HA . 7156 2 105 . 1 1 15 15 ILE HB H 1 1.9 . . . . . . . 15 ILE HB . 7156 2 106 . 1 1 15 15 ILE HG12 H 1 1.39 . . . . . . . 15 ILE HG12 . 7156 2 107 . 1 1 15 15 ILE HG13 H 1 1.2 . . . . . . . 15 ILE HG13 . 7156 2 108 . 1 1 15 15 ILE HG21 H 1 0.96 . . . . . . . 15 ILE HG2 . 7156 2 109 . 1 1 15 15 ILE HG22 H 1 0.96 . . . . . . . 15 ILE HG2 . 7156 2 110 . 1 1 15 15 ILE HG23 H 1 0.96 . . . . . . . 15 ILE HG2 . 7156 2 111 . 1 1 15 15 ILE HD11 H 1 0.85 . . . . . . . 15 ILE HD1 . 7156 2 112 . 1 1 15 15 ILE HD12 H 1 0.85 . . . . . . . 15 ILE HD1 . 7156 2 113 . 1 1 15 15 ILE HD13 H 1 0.85 . . . . . . . 15 ILE HD1 . 7156 2 114 . 1 1 16 16 THR H H 1 8.14 . . . . . . . 16 THR H . 7156 2 115 . 1 1 16 16 THR HA H 1 4.03 . . . . . . . 16 THR HA . 7156 2 116 . 1 1 16 16 THR HB H 1 4.31 . . . . . . . 16 THR HB . 7156 2 117 . 1 1 16 16 THR HG21 H 1 1.29 . . . . . . . 16 THR HG2 . 7156 2 118 . 1 1 16 16 THR HG22 H 1 1.29 . . . . . . . 16 THR HG2 . 7156 2 119 . 1 1 16 16 THR HG23 H 1 1.29 . . . . . . . 16 THR HG2 . 7156 2 120 . 1 1 17 17 THR H H 1 8.06 . . . . . . . 17 THR H . 7156 2 121 . 1 1 17 17 THR HA H 1 4.04 . . . . . . . 17 THR HA . 7156 2 122 . 1 1 17 17 THR HB H 1 4.32 . . . . . . . 17 THR HB . 7156 2 123 . 1 1 17 17 THR HG21 H 1 1.14 . . . . . . . 17 THR HG2 . 7156 2 124 . 1 1 17 17 THR HG22 H 1 1.14 . . . . . . . 17 THR HG2 . 7156 2 125 . 1 1 17 17 THR HG23 H 1 1.14 . . . . . . . 17 THR HG2 . 7156 2 126 . 1 1 18 18 PHE H H 1 8.34 . . . . . . . 18 PHE H . 7156 2 127 . 1 1 18 18 PHE HA H 1 4.46 . . . . . . . 18 PHE HA . 7156 2 128 . 1 1 18 18 PHE HB2 H 1 3.27 . . . . . . . 18 PHE HB2 . 7156 2 129 . 1 1 18 18 PHE HB3 H 1 3.22 . . . . . . . 18 PHE HB3 . 7156 2 130 . 1 1 18 18 PHE HD1 H 1 7.27 . . . . . . . 18 PHE HD1 . 7156 2 131 . 1 1 18 18 PHE HD2 H 1 7.27 . . . . . . . 18 PHE HD2 . 7156 2 132 . 1 1 18 18 PHE HE1 H 1 7.32 . . . . . . . 18 PHE HE1 . 7156 2 133 . 1 1 18 18 PHE HE2 H 1 7.32 . . . . . . . 18 PHE HE2 . 7156 2 134 . 1 1 18 18 PHE HZ H 1 7.3 . . . . . . . 18 PHE HZ . 7156 2 135 . 1 1 19 19 ARG H H 1 8.46 . . . . . . . 19 ARG H . 7156 2 136 . 1 1 19 19 ARG HA H 1 4.24 . . . . . . . 19 ARG HA . 7156 2 137 . 1 1 19 19 ARG HB2 H 1 2.03 . . . . . . . 19 ARG HB2 . 7156 2 138 . 1 1 19 19 ARG HB3 H 1 1.96 . . . . . . . 19 ARG HB3 . 7156 2 139 . 1 1 19 19 ARG HG2 H 1 1.74 . . . . . . . 19 ARG HG2 . 7156 2 140 . 1 1 19 19 ARG HG3 H 1 1.74 . . . . . . . 19 ARG HG3 . 7156 2 141 . 1 1 19 19 ARG HD2 H 1 3.2 . . . . . . . 19 ARG HD2 . 7156 2 142 . 1 1 19 19 ARG HD3 H 1 3.2 . . . . . . . 19 ARG HD3 . 7156 2 143 . 1 1 19 19 ARG HH11 H 1 7.26 . . . . . . . 19 ARG NH1 . 7156 2 144 . 1 1 20 20 THR H H 1 8.03 . . . . . . . 20 THR H . 7156 2 145 . 1 1 20 20 THR HA H 1 4.38 . . . . . . . 20 THR HA . 7156 2 146 . 1 1 20 20 THR HB H 1 4.36 . . . . . . . 20 THR HB . 7156 2 147 . 1 1 20 20 THR HG21 H 1 1.32 . . . . . . . 20 THR HG2 . 7156 2 148 . 1 1 20 20 THR HG22 H 1 1.32 . . . . . . . 20 THR HG2 . 7156 2 149 . 1 1 20 20 THR HG23 H 1 1.32 . . . . . . . 20 THR HG2 . 7156 2 150 . 1 1 21 21 GLY H H 1 8.26 . . . . . . . 21 GLY H . 7156 2 151 . 1 1 21 21 GLY HA2 H 1 4.05 . . . . . . . 21 GLY HA2 . 7156 2 152 . 1 1 22 22 THR H H 1 7.79 . . . . . . . 22 THR H . 7156 2 153 . 1 1 22 22 THR HA H 1 4.43 . . . . . . . 22 THR HA . 7156 2 154 . 1 1 22 22 THR HB H 1 4.34 . . . . . . . 22 THR HB . 7156 2 155 . 1 1 22 22 THR HG21 H 1 1.18 . . . . . . . 22 THR HG2 . 7156 2 156 . 1 1 22 22 THR HG22 H 1 1.18 . . . . . . . 22 THR HG2 . 7156 2 157 . 1 1 22 22 THR HG23 H 1 1.18 . . . . . . . 22 THR HG2 . 7156 2 stop_ save_