################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18542 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-1H NOESY' . . . 18542 1 3 '2D 1H-13C HSQC' . . . 18542 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 LYS HA H 1 4.486 0.001 . 1 1 . . A 1 LYS HA . 18542 1 2 . 1 1 1 1 LYS HB2 H 1 1.772 0.079 . 2 1 . . A 1 LYS HB2 . 18542 1 3 . 1 1 1 1 LYS HB3 H 1 1.772 0.079 . 2 1 . . A 1 LYS HB3 . 18542 1 4 . 1 1 1 1 LYS HG2 H 1 1.401 0.003 . 2 1 . . A 1 LYS HG2 . 18542 1 5 . 1 1 1 1 LYS HG3 H 1 1.401 0.003 . 2 1 . . A 1 LYS HG3 . 18542 1 6 . 1 1 1 1 LYS HD2 H 1 1.548 0.003 . 2 1 . . A 1 LYS HD2 . 18542 1 7 . 1 1 1 1 LYS HD3 H 1 1.548 0.003 . 2 1 . . A 1 LYS HD3 . 18542 1 8 . 1 1 1 1 LYS H H 1 7.312 0.002 . 1 1 . . A 1 LYS H1 . 18542 1 9 . 1 1 1 1 LYS CA C 13 55.15 0.000 . 1 1 . . A 1 LYS CA . 18542 1 10 . 1 1 2 2 VAL H H 1 8.651 0.001 . 1 1 . . A 2 VAL H . 18542 1 11 . 1 1 2 2 VAL HA H 1 3.971 0.007 . 1 1 . . A 2 VAL HA . 18542 1 12 . 1 1 2 2 VAL HG11 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG11 . 18542 1 13 . 1 1 2 2 VAL HG12 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG12 . 18542 1 14 . 1 1 2 2 VAL HG13 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG13 . 18542 1 15 . 1 1 2 2 VAL HG21 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG21 . 18542 1 16 . 1 1 2 2 VAL HG22 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG22 . 18542 1 17 . 1 1 2 2 VAL HG23 H 1 1.041 0.032 . 2 1 . . A 2 VAL HG23 . 18542 1 18 . 1 1 2 2 VAL CA C 13 65.39 0.000 . 1 1 . . A 2 VAL CA . 18542 1 19 . 1 1 3 3 GLY H H 1 9.014 0.001 . 1 1 . . A 3 GLY H . 18542 1 20 . 1 1 3 3 GLY HA2 H 1 3.814 0.004 . 2 1 . . A 3 GLY HA2 . 18542 1 21 . 1 1 3 3 GLY HA3 H 1 3.814 0.004 . 2 1 . . A 3 GLY HA3 . 18542 1 22 . 1 1 3 3 GLY CA C 13 50.82 0.000 . 1 1 . . A 3 GLY CA . 18542 1 23 . 1 1 4 4 PHE H H 1 7.829 0.002 . 1 1 . . A 4 PHE H . 18542 1 24 . 1 1 4 4 PHE HA H 1 4.288 0.005 . 1 1 . . A 4 PHE HA . 18542 1 25 . 1 1 4 4 PHE HB2 H 1 2.957 0.178 . 2 1 . . A 4 PHE HB2 . 18542 1 26 . 1 1 4 4 PHE HB3 H 1 2.957 0.178 . 2 1 . . A 4 PHE HB3 . 18542 1 27 . 1 1 4 4 PHE HD1 H 1 6.697 0.002 . 3 1 . . A 4 PHE HD1 . 18542 1 28 . 1 1 4 4 PHE HD2 H 1 6.697 0.002 . 3 1 . . A 4 PHE HD2 . 18542 1 29 . 1 1 4 4 PHE HE1 H 1 7.074 0.002 . 3 1 . . A 4 PHE HE1 . 18542 1 30 . 1 1 4 4 PHE HE2 H 1 7.074 0.002 . 3 1 . . A 4 PHE HE2 . 18542 1 31 . 1 1 4 4 PHE CA C 13 61.89 0.000 . 1 1 . . A 4 PHE CA . 18542 1 32 . 1 1 5 5 PHE H H 1 7.706 0.001 . 1 1 . . A 5 PHE H . 18542 1 33 . 1 1 5 5 PHE HA H 1 4.113 0.006 . 1 1 . . A 5 PHE HA . 18542 1 34 . 1 1 5 5 PHE HB2 H 1 3.115 0.050 . 2 1 . . A 5 PHE HB2 . 18542 1 35 . 1 1 5 5 PHE HB3 H 1 3.115 0.050 . 2 1 . . A 5 PHE HB3 . 18542 1 36 . 1 1 5 5 PHE HD1 H 1 7.313 0.002 . 3 1 . . A 5 PHE HD1 . 18542 1 37 . 1 1 5 5 PHE HD2 H 1 7.313 0.002 . 3 1 . . A 5 PHE HD2 . 18542 1 38 . 1 1 5 5 PHE HE1 H 1 7.359 0.002 . 3 1 . . A 5 PHE HE1 . 18542 1 39 . 1 1 5 5 PHE HE2 H 1 7.359 0.002 . 3 1 . . A 5 PHE HE2 . 18542 1 40 . 1 1 5 5 PHE CA C 13 60.90 0.000 . 1 1 . . A 5 PHE CA . 18542 1 41 . 1 1 6 6 LYS H H 1 8.272 0.002 . 1 1 . . A 6 LYS H . 18542 1 42 . 1 1 6 6 LYS HA H 1 4.016 0.003 . 1 1 . . A 6 LYS HA . 18542 1 43 . 1 1 6 6 LYS HB2 H 1 1.771 0.069 . 2 1 . . A 6 LYS HB2 . 18542 1 44 . 1 1 6 6 LYS HB3 H 1 1.771 0.069 . 2 1 . . A 6 LYS HB3 . 18542 1 45 . 1 1 6 6 LYS HG2 H 1 1.392 0.000 . 2 1 . . A 6 LYS HG2 . 18542 1 46 . 1 1 6 6 LYS HG3 H 1 1.392 0.000 . 2 1 . . A 6 LYS HG3 . 18542 1 47 . 1 1 6 6 LYS HD2 H 1 1.586 0.000 . 2 1 . . A 6 LYS HD2 . 18542 1 48 . 1 1 6 6 LYS HD3 H 1 1.586 0.000 . 2 1 . . A 6 LYS HD3 . 18542 1 49 . 1 1 6 6 LYS HE2 H 1 2.917 0.000 . 2 1 . . A 6 LYS HE2 . 18542 1 50 . 1 1 6 6 LYS HE3 H 1 2.917 0.000 . 2 1 . . A 6 LYS HE3 . 18542 1 51 . 1 1 6 6 LYS CA C 13 58.65 0.000 . 5 1 . . A 6 LYS CA . 18542 1 52 . 1 1 7 7 ARG H H 1 7.908 0.002 . 1 1 . . A 7 ARG H . 18542 1 53 . 1 1 7 7 ARG HA H 1 4.080 0.004 . 1 1 . . A 7 ARG HA . 18542 1 54 . 1 1 7 7 ARG HB2 H 1 1.827 0.003 . 2 1 . . A 7 ARG HB2 . 18542 1 55 . 1 1 7 7 ARG HB3 H 1 1.827 0.003 . 2 1 . . A 7 ARG HB3 . 18542 1 56 . 1 1 7 7 ARG HG2 H 1 1.620 0.064 . 2 1 . . A 7 ARG HG2 . 18542 1 57 . 1 1 7 7 ARG HG3 H 1 1.620 0.064 . 2 1 . . A 7 ARG HG3 . 18542 1 58 . 1 1 7 7 ARG HD2 H 1 3.170 0.002 . 2 1 . . A 7 ARG HD2 . 18542 1 59 . 1 1 7 7 ARG HD3 H 1 3.170 0.002 . 2 1 . . A 7 ARG HD3 . 18542 1 60 . 1 1 7 7 ARG HE H 1 7.444 0.000 . 1 1 . . A 7 ARG HE . 18542 1 61 . 1 1 7 7 ARG CA C 13 58.71 0.000 . 5 1 . . A 7 ARG CA . 18542 1 62 . 1 1 8 8 GLN H H 1 7.935 0.003 . 1 1 . . A 8 GLN H . 18542 1 63 . 1 1 8 8 GLN HA H 1 4.080 0.004 . 1 1 . . A 8 GLN HA . 18542 1 64 . 1 1 8 8 GLN HB2 H 1 1.932 0.000 . 2 1 . . A 8 GLN HB2 . 18542 1 65 . 1 1 8 8 GLN HB3 H 1 1.932 0.000 . 2 1 . . A 8 GLN HB3 . 18542 1 66 . 1 1 8 8 GLN CA C 13 58.65 0.000 . 5 1 . . A 8 GLN CA . 18542 1 67 . 1 1 9 9 TYR H H 1 8.270 0.002 . 1 1 . . A 9 TYR H . 18542 1 68 . 1 1 9 9 TYR HA H 1 4.076 0.014 . 1 1 . . A 9 TYR HA . 18542 1 69 . 1 1 9 9 TYR HB2 H 1 3.060 0.067 . 2 1 . . A 9 TYR HB2 . 18542 1 70 . 1 1 9 9 TYR HB3 H 1 3.060 0.067 . 2 1 . . A 9 TYR HB3 . 18542 1 71 . 1 1 9 9 TYR HD1 H 1 6.951 0.004 . 3 1 . . A 9 TYR HD1 . 18542 1 72 . 1 1 9 9 TYR HD2 H 1 6.951 0.004 . 3 1 . . A 9 TYR HD2 . 18542 1 73 . 1 1 9 9 TYR HE1 H 1 6.748 0.002 . 3 1 . . A 9 TYR HE1 . 18542 1 74 . 1 1 9 9 TYR HE2 H 1 6.748 0.002 . 3 1 . . A 9 TYR HE2 . 18542 1 75 . 1 1 9 9 TYR CA C 13 69.56 0.000 . 1 1 . . A 9 TYR CA . 18542 1 76 . 1 1 10 10 LYS H H 1 7.938 0.004 . 1 1 . . A 10 LYS H . 18542 1 77 . 1 1 10 10 LYS HA H 1 3.822 0.004 . 1 1 . . A 10 LYS HA . 18542 1 78 . 1 1 10 10 LYS HG2 H 1 1.399 0.002 . 2 1 . . A 10 LYS HG2 . 18542 1 79 . 1 1 10 10 LYS HG3 H 1 1.399 0.002 . 2 1 . . A 10 LYS HG3 . 18542 1 80 . 1 1 10 10 LYS HD2 H 1 1.578 0.060 . 2 1 . . A 10 LYS HD2 . 18542 1 81 . 1 1 10 10 LYS HD3 H 1 1.578 0.060 . 2 1 . . A 10 LYS HD3 . 18542 1 82 . 1 1 10 10 LYS CA C 13 63.70 0.000 . 1 1 . . A 10 LYS CA . 18542 1 83 . 1 1 11 11 GLU H H 1 7.906 0.003 . 1 1 . . A 11 GLU H . 18542 1 84 . 1 1 11 11 GLU HA H 1 4.018 0.002 . 1 1 . . A 11 GLU HA . 18542 1 85 . 1 1 11 11 GLU HG2 H 1 2.303 0.073 . 2 . . . A 11 GLU HG2 . 18542 1 86 . 1 1 11 11 GLU HG3 H 1 2.303 0.073 . 2 . . . A 11 GLU HG3 . 18542 1 87 . 1 1 11 11 GLU CA C 13 58.65 0.000 . 5 1 . . A 11 GLU CA . 18542 1 88 . 1 1 12 12 MET H H 1 8.022 0.003 . 5 1 . . A 12 MET H . 18542 1 89 . 1 1 12 12 MET HA H 1 4.194 0.002 . 5 1 . . A 12 MET HA . 18542 1 90 . 1 1 12 12 MET HG2 H 1 2.588 0.064 . 5 1 . . A 12 MET HG2 . 18542 1 91 . 1 1 12 12 MET HG3 H 1 2.588 0.064 . 5 1 . . A 12 MET HG3 . 18542 1 92 . 1 1 12 12 MET CA C 13 56.90 0.000 . 5 1 . . A 12 MET CA . 18542 1 93 . 1 1 13 13 MET H H 1 8.022 0.003 . 5 1 . . A 13 MET H . 18542 1 94 . 1 1 13 13 MET HA H 1 4.194 0.002 . 5 1 . . A 13 MET HA . 18542 1 95 . 1 1 13 13 MET HG2 H 1 2.588 0.064 . 5 1 . . A 13 MET HG2 . 18542 1 96 . 1 1 13 13 MET HG3 H 1 2.588 0.064 . 5 1 . . A 13 MET HG3 . 18542 1 97 . 1 1 13 13 MET CA C 13 56.90 0.000 . 5 1 . . A 13 MET CA . 18542 1 98 . 1 1 14 14 GLU H H 1 7.841 0.002 . 1 1 . . A 14 GLU H . 18542 1 99 . 1 1 14 14 GLU HA H 1 4.175 0.004 . 1 1 . . A 14 GLU HA . 18542 1 100 . 1 1 14 14 GLU HG2 H 1 2.311 0.051 . 2 . . . A 14 GLU HG2 . 18542 1 101 . 1 1 14 14 GLU HG3 H 1 2.311 0.051 . 2 . . . A 14 GLU HG3 . 18542 1 102 . 1 1 14 14 GLU CA C 13 57.40 0.000 . 1 1 . . A 14 GLU CA . 18542 1 103 . 1 1 15 15 GLU H H 1 8.095 0.002 . 1 1 . . A 15 GLU H . 18542 1 104 . 1 1 15 15 GLU HA H 1 4.181 0.005 . 1 1 . . A 15 GLU HA . 18542 1 105 . 1 1 15 15 GLU HB2 H 1 2.053 0.001 . 2 1 . . A 15 GLU HB2 . 18542 1 106 . 1 1 15 15 GLU HB3 H 1 2.053 0.001 . 2 1 . . A 15 GLU HB3 . 18542 1 107 . 1 1 15 15 GLU HG2 H 1 2.334 0.034 . 2 1 . . A 15 GLU HG2 . 18542 1 108 . 1 1 15 15 GLU HG3 H 1 2.334 0.034 . 2 1 . . A 15 GLU HG3 . 18542 1 109 . 1 1 15 15 GLU CA C 13 57.34 0.000 . 1 1 . . A 15 GLU CA . 18542 1 110 . 1 1 16 16 ALA H H 1 8.184 0.002 . 1 1 . . A 16 ALA H . 18542 1 111 . 1 1 16 16 ALA HA H 1 4.236 0.003 . 1 1 . . A 16 ALA HA . 18542 1 112 . 1 1 16 16 ALA HB1 H 1 1.393 0.002 . 1 1 . . A 16 ALA HB1 . 18542 1 113 . 1 1 16 16 ALA HB2 H 1 1.393 0.002 . 1 1 . . A 16 ALA HB2 . 18542 1 114 . 1 1 16 16 ALA HB3 H 1 1.393 0.002 . 1 1 . . A 16 ALA HB3 . 18542 1 115 . 1 1 16 16 ALA CA C 13 52.95 0.000 . 1 1 . . A 16 ALA CA . 18542 1 116 . 1 1 17 17 ASN H H 1 8.204 0.003 . 1 1 . . A 17 ASN H . 18542 1 117 . 1 1 17 17 ASN HA H 1 4.630 0.083 . 1 1 . . A 17 ASN HA . 18542 1 118 . 1 1 17 17 ASN HB2 H 1 2.806 0.03 . 2 1 . . A 17 ASN HB2 . 18542 1 119 . 1 1 17 17 ASN HB3 H 1 2.806 0.03 . 2 1 . . A 17 ASN HB3 . 18542 1 120 . 1 1 17 17 ASN CA C 13 55.15 0.000 . 1 1 . . A 17 ASN CA . 18542 1 121 . 1 1 18 18 GLY H H 1 8.185 0.002 . 1 1 . . A 18 GLY H . 18542 1 122 . 1 1 18 18 GLY HA2 H 1 3.934 0.002 . 2 1 . . A 18 GLY HA2 . 18542 1 123 . 1 1 18 18 GLY HA3 H 1 3.934 0.002 . 2 1 . . A 18 GLY HA3 . 18542 1 124 . 1 1 18 18 GLY CA C 13 45.39 0.000 . 1 1 . . A 18 GLY CA . 18542 1 125 . 1 1 19 19 GLN H H 1 8.095 0.002 . 1 1 . . A 19 GLN H . 18542 1 126 . 1 1 19 19 GLN HA H 1 4.331 0.003 . 1 1 . . A 19 GLN HA . 18542 1 127 . 1 1 19 19 GLN CA C 13 55.69 0.000 . 1 1 . . A 19 GLN CA . 18542 1 128 . 1 1 20 20 ILE H H 1 8.072 0.003 . 1 1 . . A 20 ILE H . 18542 1 129 . 1 1 20 20 ILE HA H 1 4.140 0.005 . 1 1 . . A 20 ILE HA . 18542 1 130 . 1 1 20 20 ILE HB H 1 1.814 0.001 . 1 1 . . A 20 ILE HB . 18542 1 131 . 1 1 20 20 ILE HG12 H 1 1.292 0.141 . 2 1 . . A 20 ILE HG12 . 18542 1 132 . 1 1 20 20 ILE HG13 H 1 1.292 0.141 . 2 1 . . A 20 ILE HG13 . 18542 1 133 . 1 1 20 20 ILE HD11 H 1 0.871 0.001 . 1 1 . . A 20 ILE HD11 . 18542 1 134 . 1 1 20 20 ILE HD12 H 1 0.871 0.001 . 1 1 . . A 20 ILE HD12 . 18542 1 135 . 1 1 20 20 ILE HD13 H 1 0.871 0.001 . 1 1 . . A 20 ILE HD13 . 18542 1 136 . 1 1 20 20 ILE CA C 13 57.50 0.000 . 1 1 . . A 20 ILE CA . 18542 1 137 . 1 1 21 21 ALA H H 1 8.363 0.002 . 1 1 . . A 21 ALA H . 18542 1 138 . 1 1 21 21 ALA HA H 1 4.588 0.010 . 1 1 . . A 21 ALA HA . 18542 1 139 . 1 1 21 21 ALA HB1 H 1 1.334 0.001 . 1 1 . . A 21 ALA HB1 . 18542 1 140 . 1 1 21 21 ALA HB2 H 1 1.334 0.001 . 1 1 . . A 21 ALA HB2 . 18542 1 141 . 1 1 21 21 ALA HB3 H 1 1.334 0.001 . 1 1 . . A 21 ALA HB3 . 18542 1 142 . 1 1 21 21 ALA CA C 13 50.43 0.000 . 1 1 . . A 21 ALA CA . 18542 1 143 . 1 1 22 22 PRO HA H 1 4.387 0.000 . 1 1 . . A 22 PRO HA . 18542 1 144 . 1 1 22 22 PRO HD2 H 1 3.644 0.000 . 2 1 . . A 22 PRO HD2 . 18542 1 145 . 1 1 22 22 PRO HD3 H 1 3.644 0.000 . 2 1 . . A 22 PRO HD3 . 18542 1 146 . 1 1 23 23 GLU H H 1 8.572 0.002 . 1 1 . . A 23 GLU H . 18542 1 147 . 1 1 23 23 GLU HA H 1 4.222 0.002 . 1 1 . . A 23 GLU HA . 18542 1 148 . 1 1 23 23 GLU HB2 H 1 1.981 0.049 . 2 1 . . A 23 GLU HB2 . 18542 1 149 . 1 1 23 23 GLU HB3 H 1 1.981 0.049 . 2 1 . . A 23 GLU HB3 . 18542 1 150 . 1 1 23 23 GLU HG2 H 1 2.262 0.000 . 2 1 . . A 23 GLU HG2 . 18542 1 151 . 1 1 23 23 GLU HG3 H 1 2.262 0.000 . 2 1 . . A 23 GLU HG3 . 18542 1 152 . 1 1 23 23 GLU CA C 13 56.79 0.000 . 1 1 . . A 23 GLU CA . 18542 1 153 . 1 1 24 24 ASN H H 1 8.424 0.005 . 1 1 . . A 24 ASN H . 18542 1 154 . 1 1 24 24 ASN HA H 1 4.702 0.003 . 1 1 . . A 24 ASN HA . 18542 1 155 . 1 1 24 24 ASN HB2 H 1 2.808 0.022 . 2 1 . . A 24 ASN HB2 . 18542 1 156 . 1 1 24 24 ASN HB3 H 1 2.808 0.022 . 2 1 . . A 24 ASN HB3 . 18542 1 157 . 1 1 25 25 GLY H H 1 8.334 0.002 . 1 1 . . A 25 GLY H . 18542 1 158 . 1 1 25 25 GLY HA2 H 1 3.991 0.003 . 2 1 . . A 25 GLY HA2 . 18542 1 159 . 1 1 25 25 GLY HA3 H 1 3.991 0.003 . 2 1 . . A 25 GLY HA3 . 18542 1 160 . 1 1 25 25 GLY CA C 13 45.39 0.000 . 1 1 . . A 25 GLY CA . 18542 1 161 . 1 1 26 26 THR H H 1 8.025 0.005 . 1 1 . . A 26 THR H . 18542 1 162 . 1 1 26 26 THR HA H 1 4.319 0.005 . 1 1 . . A 26 THR HA . 18542 1 163 . 1 1 26 26 THR HB H 1 4.192 0.000 . 1 1 . . A 26 THR HB . 18542 1 164 . 1 1 26 26 THR HG21 H 1 1.160 0.002 . 1 1 . . A 26 THR HG1 . 18542 1 165 . 1 1 26 26 THR HG22 H 1 1.160 0.002 . 1 1 . . A 26 THR HG1 . 18542 1 166 . 1 1 26 26 THR HG23 H 1 1.160 0.002 . 1 1 . . A 26 THR HG1 . 18542 1 167 . 1 1 26 26 THR CA C 13 61.83 0.000 . 1 1 . . A 26 THR CA . 18542 1 168 . 1 1 27 27 GLN H H 1 8.415 0.001 . 1 1 . . A 27 GLN H . 18542 1 169 . 1 1 27 27 GLN HA H 1 4.393 0.001 . 1 1 . . A 27 GLN HA . 18542 1 170 . 1 1 27 27 GLN HB2 H 1 1.979 0.052 . 2 1 . . A 27 GLN HB2 . 18542 1 171 . 1 1 27 27 GLN HB3 H 1 1.979 0.052 . 2 1 . . A 27 GLN HB3 . 18542 1 172 . 1 1 27 27 GLN HG2 H 1 2.301 0.031 . 2 1 . . A 27 GLN HG2 . 18542 1 173 . 1 1 27 27 GLN HG3 H 1 2.301 0.031 . 2 1 . . A 27 GLN HG3 . 18542 1 174 . 1 1 27 27 GLN CA C 13 55.58 0.000 . 1 1 . . A 27 GLN CA . 18542 1 175 . 1 1 28 28 THR H H 1 8.260 0.002 . 1 1 . . A 28 THR H . 18542 1 176 . 1 1 28 28 THR HA H 1 4.503 0.045 . 1 1 . . A 28 THR HA . 18542 1 177 . 1 1 28 28 THR HB H 1 4.090 0.000 . 1 1 . . A 28 THR HB . 18542 1 178 . 1 1 28 28 THR HG21 H 1 1.226 0.003 . 1 1 . . A 28 THR HG1 . 18542 1 179 . 1 1 28 28 THR HG22 H 1 1.226 0.003 . 1 1 . . A 28 THR HG1 . 18542 1 180 . 1 1 28 28 THR HG23 H 1 1.226 0.003 . 1 1 . . A 28 THR HG1 . 18542 1 181 . 1 1 28 28 THR CA C 13 62.76 0.000 . 1 1 . . A 28 THR CA . 18542 1 182 . 1 1 30 30 SER H H 1 8.404 0.002 . 1 1 . . A 30 SER H . 18542 1 183 . 1 1 30 30 SER HA H 1 4.703 0.000 . 1 1 . . A 30 SER HA . 18542 1 184 . 1 1 30 30 SER HB2 H 1 3.734 0.000 . 2 1 . . A 30 SER HB2 . 18542 1 185 . 1 1 30 30 SER HB3 H 1 3.734 0.000 . 2 1 . . A 30 SER HB3 . 18542 1 186 . 1 1 33 33 SER H H 1 8.322 0.011 . 1 1 . . A 33 SER H . 18542 1 187 . 1 1 33 33 SER HA H 1 4.428 0.005 . 1 1 . . A 33 SER HA . 18542 1 188 . 1 1 33 33 SER CA C 13 63.04 0.000 . 1 1 . . A 33 SER CA . 18542 1 189 . 1 1 34 34 GLU H H 1 8.404 0.003 . 1 1 . . A 34 GLU H . 18542 1 190 . 1 1 34 34 GLU HA H 1 4.315 0.004 . 1 1 . . A 34 GLU HA . 18542 1 191 . 1 1 34 34 GLU HB2 H 1 1.909 0.003 . 2 1 . . A 34 GLU HB2 . 18542 1 192 . 1 1 34 34 GLU HB3 H 1 1.909 0.003 . 2 1 . . A 34 GLU HB3 . 18542 1 193 . 1 1 34 34 GLU HG2 H 1 2.311 0.000 . 2 1 . . A 34 GLU HG2 . 18542 1 194 . 1 1 34 34 GLU HG3 H 1 2.311 0.000 . 2 1 . . A 34 GLU HG3 . 18542 1 195 . 1 1 34 34 GLU CA C 13 56.57 0.000 . 1 1 . . A 34 GLU CA . 18542 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 51 18542 1 1 87 18542 1 2 61 18542 1 2 66 18542 1 3 88 18542 1 3 93 18542 1 4 89 18542 1 4 94 18542 1 5 90 18542 1 5 95 18542 1 6 91 18542 1 6 96 18542 1 7 92 18542 1 7 97 18542 1 stop_ save_