################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _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 $sample_1 . 5289 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 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 5289 1 2 . 1 1 1 1 ARG HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5289 1 3 . 1 1 1 1 ARG HB3 H 1 2.03 0.01 . 1 . . . . . . . . 5289 1 4 . 1 1 1 1 ARG HG2 H 1 1.75 0.01 . 1 . . . . . . . . 5289 1 5 . 1 1 1 1 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5289 1 6 . 1 1 1 1 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 5289 1 7 . 1 1 1 1 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 5289 1 8 . 1 1 1 1 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 5289 1 9 . 1 1 2 2 GLN H H 1 8.80 0.01 . 1 . . . . . . . . 5289 1 10 . 1 1 2 2 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 5289 1 11 . 1 1 2 2 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5289 1 12 . 1 1 2 2 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5289 1 13 . 1 1 2 2 GLN HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5289 1 14 . 1 1 2 2 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5289 1 15 . 1 1 2 2 GLN HE21 H 1 7.06 0.01 . 2 . . . . . . . . 5289 1 16 . 1 1 2 2 GLN HE22 H 1 6.27 0.01 . 2 . . . . . . . . 5289 1 17 . 1 1 3 3 ILE H H 1 7.80 0.01 . 1 . . . . . . . . 5289 1 18 . 1 1 3 3 ILE HA H 1 4.08 0.01 . 1 . . . . . . . . 5289 1 19 . 1 1 3 3 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5289 1 20 . 1 1 3 3 ILE HG12 H 1 1.55 0.01 . 2 . . . . . . . . 5289 1 21 . 1 1 3 3 ILE HG13 H 1 1.25 0.01 . 2 . . . . . . . . 5289 1 22 . 1 1 3 3 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 23 . 1 1 3 3 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 24 . 1 1 3 3 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5289 1 25 . 1 1 3 3 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 26 . 1 1 3 3 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 27 . 1 1 3 3 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 28 . 1 1 4 4 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 5289 1 29 . 1 1 4 4 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 5289 1 30 . 1 1 4 4 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5289 1 31 . 1 1 4 4 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5289 1 32 . 1 1 4 4 LYS HG2 H 1 1.59 0.01 . 2 . . . . . . . . 5289 1 33 . 1 1 4 4 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 5289 1 34 . 1 1 4 4 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5289 1 35 . 1 1 4 4 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5289 1 36 . 1 1 4 4 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5289 1 37 . 1 1 4 4 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5289 1 38 . 1 1 5 5 ILE H H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 39 . 1 1 5 5 ILE HA H 1 3.92 0.01 . 1 . . . . . . . . 5289 1 40 . 1 1 5 5 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5289 1 41 . 1 1 5 5 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 5289 1 42 . 1 1 5 5 ILE HG13 H 1 1.23 0.01 . 2 . . . . . . . . 5289 1 43 . 1 1 5 5 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 44 . 1 1 5 5 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 45 . 1 1 5 5 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5289 1 46 . 1 1 5 5 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 47 . 1 1 5 5 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 48 . 1 1 5 5 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5289 1 49 . 1 1 6 6 TRP H H 1 7.81 0.01 . 1 . . . . . . . . 5289 1 50 . 1 1 6 6 TRP HA H 1 4.42 0.01 . 1 . . . . . . . . 5289 1 51 . 1 1 6 6 TRP HB2 H 1 3.42 0.01 . 2 . . . . . . . . 5289 1 52 . 1 1 6 6 TRP HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5289 1 53 . 1 1 6 6 TRP HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5289 1 54 . 1 1 6 6 TRP HE1 H 1 9.52 0.01 . 1 . . . . . . . . 5289 1 55 . 1 1 6 6 TRP HE3 H 1 7.42 0.01 . 1 . . . . . . . . 5289 1 56 . 1 1 6 6 TRP HZ2 H 1 7.42 0.01 . 1 . . . . . . . . 5289 1 57 . 1 1 6 6 TRP HZ3 H 1 7.18 0.01 . 1 . . . . . . . . 5289 1 58 . 1 1 6 6 TRP HH2 H 1 7.05 0.01 . 1 . . . . . . . . 5289 1 59 . 1 1 7 7 PHE H H 1 8.20 0.01 . 1 . . . . . . . . 5289 1 60 . 1 1 7 7 PHE HA H 1 4.21 0.01 . 1 . . . . . . . . 5289 1 61 . 1 1 7 7 PHE HB2 H 1 3.18 0.01 . 1 . . . . . . . . 5289 1 62 . 1 1 7 7 PHE HB3 H 1 3.18 0.01 . 1 . . . . . . . . 5289 1 63 . 1 1 7 7 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 5289 1 64 . 1 1 7 7 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 5289 1 65 . 1 1 7 7 PHE HE1 H 1 7.34 0.01 . 1 . . . . . . . . 5289 1 66 . 1 1 7 7 PHE HE2 H 1 7.34 0.01 . 1 . . . . . . . . 5289 1 67 . 1 1 7 7 PHE HZ H 1 7.29 0.01 . 1 . . . . . . . . 5289 1 68 . 1 1 8 8 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 5289 1 69 . 1 1 8 8 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 5289 1 70 . 1 1 8 8 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 5289 1 71 . 1 1 8 8 GLN HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5289 1 72 . 1 1 8 8 GLN HG2 H 1 2.48 0.01 . 1 . . . . . . . . 5289 1 73 . 1 1 8 8 GLN HG3 H 1 2.48 0.01 . 1 . . . . . . . . 5289 1 74 . 1 1 8 8 GLN HE21 H 1 6.98 0.01 . 2 . . . . . . . . 5289 1 75 . 1 1 8 8 GLN HE22 H 1 6.29 0.01 . 2 . . . . . . . . 5289 1 76 . 1 1 9 9 ASN H H 1 8.22 0.01 . 1 . . . . . . . . 5289 1 77 . 1 1 9 9 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 5289 1 78 . 1 1 9 9 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5289 1 79 . 1 1 9 9 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 5289 1 80 . 1 1 9 9 ASN HD21 H 1 7.25 0.01 . 2 . . . . . . . . 5289 1 81 . 1 1 9 9 ASN HD22 H 1 6.34 0.01 . 2 . . . . . . . . 5289 1 82 . 1 1 10 10 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 5289 1 83 . 1 1 10 10 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 5289 1 84 . 1 1 10 10 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5289 1 85 . 1 1 10 10 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5289 1 86 . 1 1 10 10 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5289 1 87 . 1 1 10 10 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5289 1 88 . 1 1 10 10 ARG HD2 H 1 2.85 0.01 . 1 . . . . . . . . 5289 1 89 . 1 1 10 10 ARG HD3 H 1 2.85 0.01 . 1 . . . . . . . . 5289 1 90 . 1 1 10 10 ARG HE H 1 6.90 0.01 . 1 . . . . . . . . 5289 1 91 . 1 1 11 11 ARG H H 1 7.97 0.01 . 1 . . . . . . . . 5289 1 92 . 1 1 11 11 ARG HA H 1 4.06 0.01 . 1 . . . . . . . . 5289 1 93 . 1 1 11 11 ARG HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5289 1 94 . 1 1 11 11 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5289 1 95 . 1 1 11 11 ARG HG2 H 1 1.68 0.01 . 2 . . . . . . . . 5289 1 96 . 1 1 11 11 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 5289 1 97 . 1 1 11 11 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 5289 1 98 . 1 1 11 11 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 5289 1 99 . 1 1 11 11 ARG HE H 1 7.03 0.01 . 1 . . . . . . . . 5289 1 100 . 1 1 12 12 MET H H 1 7.93 0.01 . 1 . . . . . . . . 5289 1 101 . 1 1 12 12 MET HA H 1 4.30 0.01 . 1 . . . . . . . . 5289 1 102 . 1 1 12 12 MET HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5289 1 103 . 1 1 12 12 MET HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5289 1 104 . 1 1 12 12 MET HG2 H 1 2.69 0.01 . 2 . . . . . . . . 5289 1 105 . 1 1 12 12 MET HG3 H 1 2.58 0.01 . 2 . . . . . . . . 5289 1 106 . 1 1 12 12 MET HE1 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 107 . 1 1 12 12 MET HE2 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 108 . 1 1 12 12 MET HE3 H 1 2.49 0.01 . 1 . . . . . . . . 5289 1 109 . 1 1 13 13 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 5289 1 110 . 1 1 13 13 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 5289 1 111 . 1 1 13 13 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5289 1 112 . 1 1 13 13 LYS HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5289 1 113 . 1 1 13 13 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 5289 1 114 . 1 1 13 13 LYS HG3 H 1 1.33 0.01 . 2 . . . . . . . . 5289 1 115 . 1 1 13 13 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5289 1 116 . 1 1 13 13 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5289 1 117 . 1 1 13 13 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5289 1 118 . 1 1 13 13 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5289 1 119 . 1 1 13 13 LYS HZ1 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 120 . 1 1 13 13 LYS HZ2 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 121 . 1 1 13 13 LYS HZ3 H 1 7.45 0.01 . 1 . . . . . . . . 5289 1 122 . 1 1 14 14 TRP H H 1 7.78 0.01 . 1 . . . . . . . . 5289 1 123 . 1 1 14 14 TRP HA H 1 4.56 0.01 . 1 . . . . . . . . 5289 1 124 . 1 1 14 14 TRP HB2 H 1 3.39 0.01 . 2 . . . . . . . . 5289 1 125 . 1 1 14 14 TRP HB3 H 1 3.32 0.01 . 2 . . . . . . . . 5289 1 126 . 1 1 14 14 TRP HD1 H 1 7.21 0.01 . 1 . . . . . . . . 5289 1 127 . 1 1 14 14 TRP HE1 H 1 9.50 0.01 . 1 . . . . . . . . 5289 1 128 . 1 1 14 14 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 5289 1 129 . 1 1 14 14 TRP HZ2 H 1 7.44 0.01 . 1 . . . . . . . . 5289 1 130 . 1 1 14 14 TRP HZ3 H 1 7.12 0.01 . 1 . . . . . . . . 5289 1 131 . 1 1 14 14 TRP HH2 H 1 7.21 0.01 . 1 . . . . . . . . 5289 1 132 . 1 1 15 15 LYS H H 1 7.72 0.01 . 1 . . . . . . . . 5289 1 133 . 1 1 15 15 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 5289 1 134 . 1 1 15 15 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5289 1 135 . 1 1 15 15 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5289 1 136 . 1 1 15 15 LYS HG2 H 1 1.35 0.01 . 1 . . . . . . . . 5289 1 137 . 1 1 15 15 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 5289 1 138 . 1 1 15 15 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5289 1 139 . 1 1 15 15 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5289 1 140 . 1 1 15 15 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5289 1 141 . 1 1 15 15 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5289 1 142 . 1 1 16 16 LYS H H 1 7.71 0.01 . 1 . . . . . . . . 5289 1 143 . 1 1 16 16 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 5289 1 144 . 1 1 16 16 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5289 1 145 . 1 1 16 16 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5289 1 146 . 1 1 16 16 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5289 1 147 . 1 1 16 16 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 5289 1 148 . 1 1 16 16 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 5289 1 149 . 1 1 16 16 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5289 1 150 . 1 1 16 16 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5289 1 151 . 1 1 16 16 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5289 1 152 . 1 1 16 16 LYS HZ1 H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 153 . 1 1 16 16 LYS HZ2 H 1 7.46 0.01 . 1 . . . . . . . . 5289 1 154 . 1 1 16 16 LYS HZ3 H 1 7.46 0.01 . 1 . . . . . . . . 5289 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_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5289 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _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 . . 2 $sample_2 . 5289 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 ARG H H 1 7.62 0.01 . 1 . . . . . . . . 5289 2 2 . 1 1 1 1 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 5289 2 3 . 1 1 1 1 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5289 2 4 . 1 1 1 1 ARG HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5289 2 5 . 1 1 1 1 ARG HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 6 . 1 1 1 1 ARG HG3 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 7 . 1 1 1 1 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 5289 2 8 . 1 1 1 1 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 5289 2 9 . 1 1 1 1 ARG HE H 1 7.11 0.01 . 1 . . . . . . . . 5289 2 10 . 1 1 2 2 GLN H H 1 8.75 0.01 . 1 . . . . . . . . 5289 2 11 . 1 1 2 2 GLN HA H 1 4.36 0.01 . 1 . . . . . . . . 5289 2 12 . 1 1 2 2 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5289 2 13 . 1 1 2 2 GLN HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5289 2 14 . 1 1 2 2 GLN HG2 H 1 2.26 0.01 . 1 . . . . . . . . 5289 2 15 . 1 1 2 2 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 5289 2 16 . 1 1 3 3 ILE H H 1 8.32 0.01 . 1 . . . . . . . . 5289 2 17 . 1 1 3 3 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 5289 2 18 . 1 1 3 3 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5289 2 19 . 1 1 3 3 ILE HG12 H 1 1.37 0.01 . 2 . . . . . . . . 5289 2 20 . 1 1 3 3 ILE HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5289 2 21 . 1 1 3 3 ILE HG21 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 22 . 1 1 3 3 ILE HG22 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 23 . 1 1 3 3 ILE HG23 H 1 0.74 0.01 . 1 . . . . . . . . 5289 2 24 . 1 1 3 3 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 25 . 1 1 3 3 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 26 . 1 1 3 3 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 5289 2 27 . 1 1 4 4 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 5289 2 28 . 1 1 4 4 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5289 2 29 . 1 1 4 4 LYS HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 30 . 1 1 4 4 LYS HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5289 2 31 . 1 1 4 4 LYS HG2 H 1 1.18 0.01 . 2 . . . . . . . . 5289 2 32 . 1 1 4 4 LYS HG3 H 1 1.10 0.01 . 2 . . . . . . . . 5289 2 33 . 1 1 4 4 LYS HD2 H 1 1.47 0.01 . 1 . . . . . . . . 5289 2 34 . 1 1 4 4 LYS HD3 H 1 1.47 0.01 . 1 . . . . . . . . 5289 2 35 . 1 1 4 4 LYS HE2 H 1 2.71 0.01 . 1 . . . . . . . . 5289 2 36 . 1 1 4 4 LYS HE3 H 1 2.71 0.01 . 1 . . . . . . . . 5289 2 37 . 1 1 4 4 LYS HZ1 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 38 . 1 1 4 4 LYS HZ2 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 39 . 1 1 4 4 LYS HZ3 H 1 7.38 0.01 . 1 . . . . . . . . 5289 2 40 . 1 1 5 5 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 5289 2 41 . 1 1 5 5 ILE HA H 1 4.02 0.01 . 1 . . . . . . . . 5289 2 42 . 1 1 5 5 ILE HB H 1 1.64 0.01 . 1 . . . . . . . . 5289 2 43 . 1 1 5 5 ILE HG12 H 1 1.29 0.01 . 2 . . . . . . . . 5289 2 44 . 1 1 5 5 ILE HG13 H 1 1.03 0.01 . 2 . . . . . . . . 5289 2 45 . 1 1 5 5 ILE HG21 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 46 . 1 1 5 5 ILE HG22 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 47 . 1 1 5 5 ILE HG23 H 1 0.64 0.01 . 1 . . . . . . . . 5289 2 48 . 1 1 5 5 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 49 . 1 1 5 5 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 50 . 1 1 5 5 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5289 2 51 . 1 1 6 6 TRP H H 1 8.03 0.01 . 1 . . . . . . . . 5289 2 52 . 1 1 6 6 TRP HA H 1 4.52 0.01 . 1 . . . . . . . . 5289 2 53 . 1 1 6 6 TRP HB2 H 1 3.10 0.01 . 2 . . . . . . . . 5289 2 54 . 1 1 6 6 TRP HB3 H 1 3.07 0.01 . 2 . . . . . . . . 5289 2 55 . 1 1 6 6 TRP HD1 H 1 7.47 0.01 . 1 . . . . . . . . 5289 2 56 . 1 1 6 6 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . 5289 2 57 . 1 1 7 7 PHE H H 1 7.81 0.01 . 1 . . . . . . . . 5289 2 58 . 1 1 7 7 PHE HA H 1 4.38 0.01 . 1 . . . . . . . . 5289 2 59 . 1 1 7 7 PHE HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5289 2 60 . 1 1 7 7 PHE HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5289 2 61 . 1 1 7 7 PHE HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5289 2 62 . 1 1 7 7 PHE HD2 H 1 7.06 0.01 . 1 . . . . . . . . 5289 2 63 . 1 1 8 8 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5289 2 64 . 1 1 8 8 GLN HA H 1 4.04 0.01 . 1 . . . . . . . . 5289 2 65 . 1 1 8 8 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5289 2 66 . 1 1 8 8 GLN HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5289 2 67 . 1 1 8 8 GLN HG2 H 1 2.15 0.01 . 1 . . . . . . . . 5289 2 68 . 1 1 8 8 GLN HG3 H 1 2.15 0.01 . 1 . . . . . . . . 5289 2 69 . 1 1 9 9 ASN H H 1 8.24 0.01 . 1 . . . . . . . . 5289 2 70 . 1 1 9 9 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 5289 2 71 . 1 1 9 9 ASN HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5289 2 72 . 1 1 9 9 ASN HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5289 2 73 . 1 1 9 9 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . 5289 2 74 . 1 1 9 9 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 5289 2 75 . 1 1 10 10 ARG H H 1 8.13 0.01 . 1 . . . . . . . . 5289 2 76 . 1 1 10 10 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 5289 2 77 . 1 1 10 10 ARG HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5289 2 78 . 1 1 10 10 ARG HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5289 2 79 . 1 1 10 10 ARG HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5289 2 80 . 1 1 10 10 ARG HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5289 2 81 . 1 1 10 10 ARG HD2 H 1 3.04 0.01 . 1 . . . . . . . . 5289 2 82 . 1 1 10 10 ARG HD3 H 1 3.04 0.01 . 1 . . . . . . . . 5289 2 83 . 1 1 10 10 ARG HE H 1 7.08 0.01 . 1 . . . . . . . . 5289 2 84 . 1 1 11 11 ARG H H 1 8.12 0.01 . 1 . . . . . . . . 5289 2 85 . 1 1 11 11 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 5289 2 86 . 1 1 11 11 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5289 2 87 . 1 1 11 11 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5289 2 88 . 1 1 11 11 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 5289 2 89 . 1 1 11 11 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 5289 2 90 . 1 1 11 11 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 5289 2 91 . 1 1 11 11 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 5289 2 92 . 1 1 11 11 ARG HE H 1 7.04 0.01 . 1 . . . . . . . . 5289 2 93 . 1 1 12 12 MET H H 1 8.05 0.01 . 1 . . . . . . . . 5289 2 94 . 1 1 12 12 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 5289 2 95 . 1 1 12 12 MET HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5289 2 96 . 1 1 12 12 MET HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5289 2 97 . 1 1 12 12 MET HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5289 2 98 . 1 1 12 12 MET HG3 H 1 2.38 0.01 . 2 . . . . . . . . 5289 2 99 . 1 1 13 13 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5289 2 100 . 1 1 13 13 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5289 2 101 . 1 1 13 13 LYS HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5289 2 102 . 1 1 13 13 LYS HB3 H 1 1.55 0.01 . 2 . . . . . . . . 5289 2 103 . 1 1 13 13 LYS HG2 H 1 1.23 0.01 . 2 . . . . . . . . 5289 2 104 . 1 1 13 13 LYS HG3 H 1 1.18 0.01 . 2 . . . . . . . . 5289 2 105 . 1 1 13 13 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 5289 2 106 . 1 1 13 13 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 5289 2 107 . 1 1 13 13 LYS HE2 H 1 2.87 0.01 . 1 . . . . . . . . 5289 2 108 . 1 1 13 13 LYS HE3 H 1 2.87 0.01 . 1 . . . . . . . . 5289 2 109 . 1 1 14 14 TRP H H 1 7.93 0.01 . 1 . . . . . . . . 5289 2 110 . 1 1 14 14 TRP HA H 1 4.57 0.01 . 1 . . . . . . . . 5289 2 111 . 1 1 14 14 TRP HB2 H 1 3.21 0.01 . 2 . . . . . . . . 5289 2 112 . 1 1 14 14 TRP HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5289 2 113 . 1 1 14 14 TRP HD1 H 1 7.40 0.01 . 1 . . . . . . . . 5289 2 114 . 1 1 14 14 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . 5289 2 115 . 1 1 15 15 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5289 2 116 . 1 1 15 15 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 5289 2 117 . 1 1 15 15 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5289 2 118 . 1 1 15 15 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5289 2 119 . 1 1 15 15 LYS HG2 H 1 1.18 0.01 . 1 . . . . . . . . 5289 2 120 . 1 1 15 15 LYS HG3 H 1 1.18 0.01 . 1 . . . . . . . . 5289 2 121 . 1 1 15 15 LYS HD2 H 1 1.53 0.01 . 1 . . . . . . . . 5289 2 122 . 1 1 15 15 LYS HD3 H 1 1.53 0.01 . 1 . . . . . . . . 5289 2 123 . 1 1 15 15 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 5289 2 124 . 1 1 15 15 LYS HE3 H 1 2.86 0.01 . 1 . . . . . . . . 5289 2 125 . 1 1 15 15 LYS HZ1 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 126 . 1 1 15 15 LYS HZ2 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 127 . 1 1 15 15 LYS HZ3 H 1 7.43 0.01 . 1 . . . . . . . . 5289 2 128 . 1 1 16 16 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 5289 2 129 . 1 1 16 16 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 5289 2 130 . 1 1 16 16 LYS HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5289 2 131 . 1 1 16 16 LYS HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5289 2 132 . 1 1 16 16 LYS HG2 H 1 1.34 0.01 . 1 . . . . . . . . 5289 2 133 . 1 1 16 16 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5289 2 134 . 1 1 16 16 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5289 2 135 . 1 1 16 16 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5289 2 136 . 1 1 16 16 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5289 2 137 . 1 1 16 16 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5289 2 138 . 1 1 16 16 LYS HZ1 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 139 . 1 1 16 16 LYS HZ2 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 140 . 1 1 16 16 LYS HZ3 H 1 7.24 0.01 . 1 . . . . . . . . 5289 2 stop_ save_