###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51260
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Helix 1 from UBA(1) in 4 M guanidine hydrochloride'
_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 $chem_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
1 '2D 1H-15N HSQC' . . . 51260 1
2 '3D HNCO' . . . 51260 1
3 '3D HNCA' . . . 51260 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51260 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 SER C C 13 174.746 0.002 . 1 . . . . . 155 SER C . 51260 1
2 . 1 . 1 2 2 THR H H 1 8.286 0.001 . 1 . . . . . 156 THR H . 51260 1
3 . 1 . 1 2 2 THR C C 13 174.404 0.002 . 1 . . . . . 156 THR C . 51260 1
4 . 1 . 1 2 2 THR CA C 13 62.199 0.010 . 1 . . . . . 156 THR CA . 51260 1
5 . 1 . 1 2 2 THR N N 15 116.836 0.004 . 1 . . . . . 156 THR N . 51260 1
6 . 1 . 1 3 3 LEU H H 1 8.266 0.001 . 1 . . . . . 157 LEU H . 51260 1
7 . 1 . 1 3 3 LEU C C 13 177.162 0.002 . 1 . . . . . 157 LEU C . 51260 1
8 . 1 . 1 3 3 LEU CA C 13 55.539 0.010 . 1 . . . . . 157 LEU CA . 51260 1
9 . 1 . 1 3 3 LEU N N 15 125.183 0.004 . 1 . . . . . 157 LEU N . 51260 1
10 . 1 . 1 4 4 VAL H H 1 8.129 0.001 . 1 . . . . . 158 VAL H . 51260 1
11 . 1 . 1 4 4 VAL C C 13 176.347 0.002 . 1 . . . . . 158 VAL C . 51260 1
12 . 1 . 1 4 4 VAL CA C 13 62.520 0.010 . 1 . . . . . 158 VAL CA . 51260 1
13 . 1 . 1 4 4 VAL N N 15 121.937 0.004 . 1 . . . . . 158 VAL N . 51260 1
14 . 1 . 1 5 5 THR H H 1 8.179 0.001 . 1 . . . . . 159 THR H . 51260 1
15 . 1 . 1 5 5 THR C C 13 175.088 0.002 . 1 . . . . . 159 THR C . 51260 1
16 . 1 . 1 5 5 THR CA C 13 61.916 0.010 . 1 . . . . . 159 THR CA . 51260 1
17 . 1 . 1 5 5 THR N N 15 117.657 0.004 . 1 . . . . . 159 THR N . 51260 1
18 . 1 . 1 6 6 GLY H H 1 8.422 0.001 . 1 . . . . . 160 GLY H . 51260 1
19 . 1 . 1 6 6 GLY C C 13 174.247 0.002 . 1 . . . . . 160 GLY C . 51260 1
20 . 1 . 1 6 6 GLY CA C 13 45.596 0.010 . 1 . . . . . 160 GLY CA . 51260 1
21 . 1 . 1 6 6 GLY N N 15 111.629 0.004 . 1 . . . . . 160 GLY N . 51260 1
22 . 1 . 1 7 7 SER H H 1 8.242 0.001 . 1 . . . . . 161 SER H . 51260 1
23 . 1 . 1 7 7 SER C C 13 174.903 0.002 . 1 . . . . . 161 SER C . 51260 1
24 . 1 . 1 7 7 SER CA C 13 58.635 0.010 . 1 . . . . . 161 SER CA . 51260 1
25 . 1 . 1 7 7 SER N N 15 116.067 0.004 . 1 . . . . . 161 SER N . 51260 1
26 . 1 . 1 8 8 GLU H H 1 8.617 0.001 . 1 . . . . . 162 GLU H . 51260 1
27 . 1 . 1 8 8 GLU C C 13 176.348 0.002 . 1 . . . . . 162 GLU C . 51260 1
28 . 1 . 1 8 8 GLU CA C 13 57.347 0.010 . 1 . . . . . 162 GLU CA . 51260 1
29 . 1 . 1 8 8 GLU N N 15 123.105 0.004 . 1 . . . . . 162 GLU N . 51260 1
30 . 1 . 1 9 9 TYR H H 1 8.024 0.001 . 1 . . . . . 163 TYR H . 51260 1
31 . 1 . 1 9 9 TYR C C 13 175.982 0.002 . 1 . . . . . 163 TYR C . 51260 1
32 . 1 . 1 9 9 TYR CA C 13 58.341 0.010 . 1 . . . . . 163 TYR CA . 51260 1
33 . 1 . 1 9 9 TYR N N 15 120.095 0.004 . 1 . . . . . 163 TYR N . 51260 1
34 . 1 . 1 10 10 GLU H H 1 8.220 0.001 . 1 . . . . . 164 GLU H . 51260 1
35 . 1 . 1 10 10 GLU C C 13 176.616 0.002 . 1 . . . . . 164 GLU C . 51260 1
36 . 1 . 1 10 10 GLU CA C 13 56.946 0.010 . 1 . . . . . 164 GLU CA . 51260 1
37 . 1 . 1 10 10 GLU N N 15 121.796 0.004 . 1 . . . . . 164 GLU N . 51260 1
38 . 1 . 1 11 11 THR H H 1 8.075 0.001 . 1 . . . . . 165 THR H . 51260 1
39 . 1 . 1 11 11 THR C C 13 174.665 0.002 . 1 . . . . . 165 THR C . 51260 1
40 . 1 . 1 11 11 THR CA C 13 62.255 0.010 . 1 . . . . . 165 THR CA . 51260 1
41 . 1 . 1 11 11 THR N N 15 114.920 0.004 . 1 . . . . . 165 THR N . 51260 1
42 . 1 . 1 12 12 MET H H 1 8.343 0.001 . 1 . . . . . 166 MET H . 51260 1
43 . 1 . 1 12 12 MET C C 13 176.254 0.002 . 1 . . . . . 166 MET C . 51260 1
44 . 1 . 1 12 12 MET CA C 13 56.012 0.010 . 1 . . . . . 166 MET CA . 51260 1
45 . 1 . 1 12 12 MET N N 15 122.958 0.004 . 1 . . . . . 166 MET N . 51260 1
46 . 1 . 1 13 13 LEU H H 1 8.220 0.001 . 1 . . . . . 167 LEU H . 51260 1
47 . 1 . 1 13 13 LEU C C 13 177.582 0.002 . 1 . . . . . 167 LEU C . 51260 1
48 . 1 . 1 13 13 LEU CA C 13 55.725 0.010 . 1 . . . . . 167 LEU CA . 51260 1
49 . 1 . 1 13 13 LEU N N 15 123.372 0.004 . 1 . . . . . 167 LEU N . 51260 1
50 . 1 . 1 14 14 THR H H 1 7.981 0.001 . 1 . . . . . 168 THR H . 51260 1
51 . 1 . 1 14 14 THR C C 13 174.727 0.002 . 1 . . . . . 168 THR C . 51260 1
52 . 1 . 1 14 14 THR CA C 13 62.315 0.010 . 1 . . . . . 168 THR CA . 51260 1
53 . 1 . 1 14 14 THR N N 15 114.375 0.004 . 1 . . . . . 168 THR N . 51260 1
54 . 1 . 1 15 15 GLU H H 1 8.321 0.001 . 1 . . . . . 169 GLU H . 51260 1
55 . 1 . 1 15 15 GLU C C 13 176.512 0.002 . 1 . . . . . 169 GLU C . 51260 1
56 . 1 . 1 15 15 GLU CA C 13 56.913 0.010 . 1 . . . . . 169 GLU CA . 51260 1
57 . 1 . 1 15 15 GLU N N 15 123.258 0.004 . 1 . . . . . 169 GLU N . 51260 1
58 . 1 . 1 16 16 ILE H H 1 8.066 0.001 . 1 . . . . . 170 ILE H . 51260 1
59 . 1 . 1 16 16 ILE C C 13 176.540 0.002 . 1 . . . . . 170 ILE C . 51260 1
60 . 1 . 1 16 16 ILE CA C 13 61.692 0.010 . 1 . . . . . 170 ILE CA . 51260 1
61 . 1 . 1 16 16 ILE N N 15 121.492 0.004 . 1 . . . . . 170 ILE N . 51260 1
62 . 1 . 1 17 17 MET H H 1 8.338 0.001 . 1 . . . . . 171 MET H . 51260 1
63 . 1 . 1 17 17 MET C C 13 176.318 0.002 . 1 . . . . . 171 MET C . 51260 1
64 . 1 . 1 17 17 MET CA C 13 55.823 0.010 . 1 . . . . . 171 MET CA . 51260 1
65 . 1 . 1 17 17 MET N N 15 124.097 0.004 . 1 . . . . . 171 MET N . 51260 1
66 . 1 . 1 18 18 SER H H 1 8.190 0.001 . 1 . . . . . 172 SER H . 51260 1
67 . 1 . 1 18 18 SER C C 13 174.655 0.002 . 1 . . . . . 172 SER C . 51260 1
68 . 1 . 1 18 18 SER CA C 13 58.550 0.010 . 1 . . . . . 172 SER CA . 51260 1
69 . 1 . 1 18 18 SER N N 15 117.034 0.004 . 1 . . . . . 172 SER N . 51260 1
70 . 1 . 1 19 19 MET H H 1 8.352 0.001 . 1 . . . . . 173 MET H . 51260 1
71 . 1 . 1 19 19 MET C C 13 176.606 0.002 . 1 . . . . . 173 MET C . 51260 1
72 . 1 . 1 19 19 MET CA C 13 55.899 0.010 . 1 . . . . . 173 MET CA . 51260 1
73 . 1 . 1 19 19 MET N N 15 122.317 0.004 . 1 . . . . . 173 MET N . 51260 1
74 . 1 . 1 20 20 GLY H H 1 8.286 0.001 . 1 . . . . . 174 GLY H . 51260 1
75 . 1 . 1 20 20 GLY C C 13 173.667 0.002 . 1 . . . . . 174 GLY C . 51260 1
76 . 1 . 1 20 20 GLY CA C 13 45.477 0.010 . 1 . . . . . 174 GLY CA . 51260 1
77 . 1 . 1 20 20 GLY N N 15 109.740 0.004 . 1 . . . . . 174 GLY N . 51260 1
78 . 1 . 1 21 21 TYR H H 1 7.986 0.001 . 1 . . . . . 175 TYR H . 51260 1
79 . 1 . 1 21 21 TYR C C 13 175.287 0.002 . 1 . . . . . 175 TYR C . 51260 1
80 . 1 . 1 21 21 TYR CA C 13 58.017 0.010 . 1 . . . . . 175 TYR CA . 51260 1
81 . 1 . 1 21 21 TYR N N 15 120.279 0.004 . 1 . . . . . 175 TYR N . 51260 1
82 . 1 . 1 22 22 GLU H H 1 8.051 0.001 . 1 . . . . . 176 GLU H . 51260 1
83 . 1 . 1 22 22 GLU CA C 13 58.453 0.010 . 1 . . . . . 176 GLU CA . 51260 1
84 . 1 . 1 22 22 GLU N N 15 127.058 0.004 . 1 . . . . . 176 GLU N . 51260 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51260
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Helix 1 from UBA(1) in 5 M guanidine hydrochloride'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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
4 '2D 1H-15N HSQC' . . . 51260 2
5 '3D HNCO' . . . 51260 2
6 '3D HNCA' . . . 51260 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51260 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 SER C C 13 174.673 0.002 . 1 . . . . . 155 SER C . 51260 2
2 . 1 . 1 2 2 THR H H 1 8.286 0.001 . 1 . . . . . 156 THR H . 51260 2
3 . 1 . 1 2 2 THR C C 13 174.343 0.002 . 1 . . . . . 156 THR C . 51260 2
4 . 1 . 1 2 2 THR CA C 13 62.171 0.010 . 1 . . . . . 156 THR CA . 51260 2
5 . 1 . 1 2 2 THR N N 15 116.875 0.004 . 1 . . . . . 156 THR N . 51260 2
6 . 1 . 1 3 3 LEU H H 1 8.268 0.001 . 1 . . . . . 157 LEU H . 51260 2
7 . 1 . 1 3 3 LEU C C 13 177.196 0.002 . 1 . . . . . 157 LEU C . 51260 2
8 . 1 . 1 3 3 LEU CA C 13 55.523 0.010 . 1 . . . . . 157 LEU CA . 51260 2
9 . 1 . 1 3 3 LEU N N 15 125.246 0.004 . 1 . . . . . 157 LEU N . 51260 2
10 . 1 . 1 4 4 VAL H H 1 8.131 0.001 . 1 . . . . . 158 VAL H . 51260 2
11 . 1 . 1 4 4 VAL C C 13 176.363 0.002 . 1 . . . . . 158 VAL C . 51260 2
12 . 1 . 1 4 4 VAL CA C 13 62.501 0.010 . 1 . . . . . 158 VAL CA . 51260 2
13 . 1 . 1 4 4 VAL N N 15 122.016 0.004 . 1 . . . . . 158 VAL N . 51260 2
14 . 1 . 1 5 5 THR H H 1 8.176 0.001 . 1 . . . . . 159 THR H . 51260 2
15 . 1 . 1 5 5 THR C C 13 175.045 0.002 . 1 . . . . . 159 THR C . 51260 2
16 . 1 . 1 5 5 THR CA C 13 61.890 0.010 . 1 . . . . . 159 THR CA . 51260 2
17 . 1 . 1 5 5 THR N N 15 117.696 0.004 . 1 . . . . . 159 THR N . 51260 2
18 . 1 . 1 6 6 GLY H H 1 8.418 0.001 . 1 . . . . . 160 GLY H . 51260 2
19 . 1 . 1 6 6 GLY C C 13 174.133 0.002 . 1 . . . . . 160 GLY C . 51260 2
20 . 1 . 1 6 6 GLY CA C 13 45.604 0.010 . 1 . . . . . 160 GLY CA . 51260 2
21 . 1 . 1 6 6 GLY N N 15 111.703 0.004 . 1 . . . . . 160 GLY N . 51260 2
22 . 1 . 1 7 7 SER H H 1 8.240 0.001 . 1 . . . . . 161 SER H . 51260 2
23 . 1 . 1 7 7 SER C C 13 174.826 0.002 . 1 . . . . . 161 SER C . 51260 2
24 . 1 . 1 7 7 SER CA C 13 58.594 0.010 . 1 . . . . . 161 SER CA . 51260 2
25 . 1 . 1 7 7 SER N N 15 116.129 0.004 . 1 . . . . . 161 SER N . 51260 2
26 . 1 . 1 8 8 GLU H H 1 8.612 0.001 . 1 . . . . . 162 GLU H . 51260 2
27 . 1 . 1 8 8 GLU C C 13 176.325 0.002 . 1 . . . . . 162 GLU C . 51260 2
28 . 1 . 1 8 8 GLU CA C 13 57.272 0.010 . 1 . . . . . 162 GLU CA . 51260 2
29 . 1 . 1 8 8 GLU N N 15 123.210 0.004 . 1 . . . . . 162 GLU N . 51260 2
30 . 1 . 1 9 9 TYR H H 1 8.032 0.001 . 1 . . . . . 163 TYR H . 51260 2
31 . 1 . 1 9 9 TYR C C 13 175.964 0.002 . 1 . . . . . 163 TYR C . 51260 2
32 . 1 . 1 9 9 TYR CA C 13 58.266 0.010 . 1 . . . . . 163 TYR CA . 51260 2
33 . 1 . 1 9 9 TYR N N 15 120.171 0.004 . 1 . . . . . 163 TYR N . 51260 2
34 . 1 . 1 10 10 GLU H H 1 8.245 0.001 . 1 . . . . . 164 GLU H . 51260 2
35 . 1 . 1 10 10 GLU C C 13 176.594 0.002 . 1 . . . . . 164 GLU C . 51260 2
36 . 1 . 1 10 10 GLU CA C 13 56.870 0.010 . 1 . . . . . 164 GLU CA . 51260 2
37 . 1 . 1 10 10 GLU N N 15 122.002 0.004 . 1 . . . . . 164 GLU N . 51260 2
38 . 1 . 1 11 11 THR H H 1 8.084 0.001 . 1 . . . . . 165 THR H . 51260 2
39 . 1 . 1 11 11 THR C C 13 174.568 0.002 . 1 . . . . . 165 THR C . 51260 2
40 . 1 . 1 11 11 THR CA C 13 62.138 0.010 . 1 . . . . . 165 THR CA . 51260 2
41 . 1 . 1 11 11 THR N N 15 115.003 0.004 . 1 . . . . . 165 THR N . 51260 2
42 . 1 . 1 12 12 MET H H 1 8.362 0.001 . 1 . . . . . 166 MET H . 51260 2
43 . 1 . 1 12 12 MET C C 13 176.214 0.002 . 1 . . . . . 166 MET C . 51260 2
44 . 1 . 1 12 12 MET CA C 13 55.976 0.010 . 1 . . . . . 166 MET CA . 51260 2
45 . 1 . 1 12 12 MET N N 15 123.109 0.004 . 1 . . . . . 166 MET N . 51260 2
46 . 1 . 1 13 13 LEU H H 1 8.240 0.001 . 1 . . . . . 167 LEU H . 51260 2
47 . 1 . 1 13 13 LEU C C 13 177.607 0.002 . 1 . . . . . 167 LEU C . 51260 2
48 . 1 . 1 13 13 LEU CA C 13 55.674 0.010 . 1 . . . . . 167 LEU CA . 51260 2
49 . 1 . 1 13 13 LEU N N 15 123.601 0.004 . 1 . . . . . 167 LEU N . 51260 2
50 . 1 . 1 14 14 THR H H 1 8.000 0.001 . 1 . . . . . 168 THR H . 51260 2
51 . 1 . 1 14 14 THR C C 13 174.631 0.002 . 1 . . . . . 168 THR C . 51260 2
52 . 1 . 1 14 14 THR CA C 13 62.200 0.010 . 1 . . . . . 168 THR CA . 51260 2
53 . 1 . 1 14 14 THR N N 15 114.571 0.004 . 1 . . . . . 168 THR N . 51260 2
54 . 1 . 1 15 15 GLU H H 1 8.342 0.001 . 1 . . . . . 169 GLU H . 51260 2
55 . 1 . 1 15 15 GLU C C 13 176.469 0.002 . 1 . . . . . 169 GLU C . 51260 2
56 . 1 . 1 15 15 GLU CA C 13 56.837 0.010 . 1 . . . . . 169 GLU CA . 51260 2
57 . 1 . 1 15 15 GLU N N 15 123.431 0.004 . 1 . . . . . 169 GLU N . 51260 2
58 . 1 . 1 16 16 ILE H H 1 8.077 0.001 . 1 . . . . . 170 ILE H . 51260 2
59 . 1 . 1 16 16 ILE C C 13 176.505 0.002 . 1 . . . . . 170 ILE C . 51260 2
60 . 1 . 1 16 16 ILE CA C 13 61.610 0.010 . 1 . . . . . 170 ILE CA . 51260 2
61 . 1 . 1 16 16 ILE N N 15 121.682 0.004 . 1 . . . . . 170 ILE N . 51260 2
62 . 1 . 1 17 17 MET H H 1 8.357 0.001 . 1 . . . . . 171 MET H . 51260 2
63 . 1 . 1 17 17 MET C C 13 176.293 0.002 . 1 . . . . . 171 MET C . 51260 2
64 . 1 . 1 17 17 MET CA C 13 55.796 0.010 . 1 . . . . . 171 MET CA . 51260 2
65 . 1 . 1 17 17 MET N N 15 124.376 0.004 . 1 . . . . . 171 MET N . 51260 2
66 . 1 . 1 18 18 SER H H 1 8.205 0.001 . 1 . . . . . 172 SER H . 51260 2
67 . 1 . 1 18 18 SER C C 13 174.582 0.002 . 1 . . . . . 172 SER C . 51260 2
68 . 1 . 1 18 18 SER CA C 13 58.490 0.010 . 1 . . . . . 172 SER CA . 51260 2
69 . 1 . 1 18 18 SER N N 15 117.213 0.004 . 1 . . . . . 172 SER N . 51260 2
70 . 1 . 1 19 19 MET H H 1 8.372 0.001 . 1 . . . . . 173 MET H . 51260 2
71 . 1 . 1 19 19 MET C C 13 176.630 0.002 . 1 . . . . . 173 MET C . 51260 2
72 . 1 . 1 19 19 MET CA C 13 55.845 0.010 . 1 . . . . . 173 MET CA . 51260 2
73 . 1 . 1 19 19 MET N N 15 122.466 0.004 . 1 . . . . . 173 MET N . 51260 2
74 . 1 . 1 20 20 GLY H H 1 8.295 0.001 . 1 . . . . . 174 GLY H . 51260 2
75 . 1 . 1 20 20 GLY C C 13 173.550 0.002 . 1 . . . . . 174 GLY C . 51260 2
76 . 1 . 1 20 20 GLY CA C 13 45.494 0.010 . 1 . . . . . 174 GLY CA . 51260 2
77 . 1 . 1 20 20 GLY N N 15 109.886 0.004 . 1 . . . . . 174 GLY N . 51260 2
78 . 1 . 1 21 21 TYR H H 1 8.000 0.001 . 1 . . . . . 175 TYR H . 51260 2
79 . 1 . 1 21 21 TYR C C 13 175.318 0.002 . 1 . . . . . 175 TYR C . 51260 2
80 . 1 . 1 21 21 TYR CA C 13 58.018 0.010 . 1 . . . . . 175 TYR CA . 51260 2
81 . 1 . 1 21 21 TYR N N 15 120.417 0.004 . 1 . . . . . 175 TYR N . 51260 2
82 . 1 . 1 22 22 GLU H H 1 8.086 0.001 . 1 . . . . . 176 GLU H . 51260 2
83 . 1 . 1 22 22 GLU CA C 13 58.489 0.010 . 1 . . . . . 176 GLU CA . 51260 2
84 . 1 . 1 22 22 GLU N N 15 127.187 0.004 . 1 . . . . . 176 GLU N . 51260 2
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51260
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'Helix 1 from UBA(1) in 6 M guanidine hydrochloride'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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
7 '2D 1H-15N HSQC' . . . 51260 3
8 '3D HNCO' . . . 51260 3
9 '3D HNCA' . . . 51260 3
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51260 3
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 SER C C 13 174.633 0.002 . 1 . . . . . 155 SER C . 51260 3
2 . 1 . 1 2 2 THR H H 1 8.286 0.001 . 1 . . . . . 156 THR H . 51260 3
3 . 1 . 1 2 2 THR C C 13 174.314 0.002 . 1 . . . . . 156 THR C . 51260 3
4 . 1 . 1 2 2 THR CA C 13 62.173 0.010 . 1 . . . . . 156 THR CA . 51260 3
5 . 1 . 1 2 2 THR N N 15 116.941 0.004 . 1 . . . . . 156 THR N . 51260 3
6 . 1 . 1 3 3 LEU H H 1 8.269 0.001 . 1 . . . . . 157 LEU H . 51260 3
7 . 1 . 1 3 3 LEU C C 13 177.144 0.002 . 1 . . . . . 157 LEU C . 51260 3
8 . 1 . 1 3 3 LEU CA C 13 55.531 0.010 . 1 . . . . . 157 LEU CA . 51260 3
9 . 1 . 1 3 3 LEU N N 15 125.337 0.004 . 1 . . . . . 157 LEU N . 51260 3
10 . 1 . 1 4 4 VAL H H 1 8.135 0.001 . 1 . . . . . 158 VAL H . 51260 3
11 . 1 . 1 4 4 VAL C C 13 176.342 0.002 . 1 . . . . . 158 VAL C . 51260 3
12 . 1 . 1 4 4 VAL CA C 13 62.480 0.010 . 1 . . . . . 158 VAL CA . 51260 3
13 . 1 . 1 4 4 VAL N N 15 122.142 0.004 . 1 . . . . . 158 VAL N . 51260 3
14 . 1 . 1 5 5 THR H H 1 8.176 0.001 . 1 . . . . . 159 THR H . 51260 3
15 . 1 . 1 5 5 THR C C 13 175.022 0.002 . 1 . . . . . 159 THR C . 51260 3
16 . 1 . 1 5 5 THR CA C 13 61.860 0.010 . 1 . . . . . 159 THR CA . 51260 3
17 . 1 . 1 5 5 THR N N 15 117.769 0.004 . 1 . . . . . 159 THR N . 51260 3
18 . 1 . 1 6 6 GLY H H 1 8.415 0.001 . 1 . . . . . 160 GLY H . 51260 3
19 . 1 . 1 6 6 GLY C C 13 174.068 0.002 . 1 . . . . . 160 GLY C . 51260 3
20 . 1 . 1 6 6 GLY CA C 13 45.610 0.010 . 1 . . . . . 160 GLY CA . 51260 3
21 . 1 . 1 6 6 GLY N N 15 111.783 0.004 . 1 . . . . . 160 GLY N . 51260 3
22 . 1 . 1 7 7 SER H H 1 8.237 0.001 . 1 . . . . . 161 SER H . 51260 3
23 . 1 . 1 7 7 SER C C 13 174.774 0.002 . 1 . . . . . 161 SER C . 51260 3
24 . 1 . 1 7 7 SER CA C 13 58.562 0.010 . 1 . . . . . 161 SER CA . 51260 3
25 . 1 . 1 7 7 SER N N 15 116.205 0.004 . 1 . . . . . 161 SER N . 51260 3
26 . 1 . 1 8 8 GLU H H 1 8.606 0.001 . 1 . . . . . 162 GLU H . 51260 3
27 . 1 . 1 8 8 GLU C C 13 176.268 0.002 . 1 . . . . . 162 GLU C . 51260 3
28 . 1 . 1 8 8 GLU CA C 13 57.237 0.010 . 1 . . . . . 162 GLU CA . 51260 3
29 . 1 . 1 8 8 GLU N N 15 123.333 0.004 . 1 . . . . . 162 GLU N . 51260 3
30 . 1 . 1 9 9 TYR H H 1 8.037 0.001 . 1 . . . . . 163 TYR H . 51260 3
31 . 1 . 1 9 9 TYR C C 13 175.925 0.002 . 1 . . . . . 163 TYR C . 51260 3
32 . 1 . 1 9 9 TYR CA C 13 58.209 0.010 . 1 . . . . . 163 TYR CA . 51260 3
33 . 1 . 1 9 9 TYR N N 15 120.253 0.004 . 1 . . . . . 163 TYR N . 51260 3
34 . 1 . 1 10 10 GLU H H 1 8.267 0.001 . 1 . . . . . 164 GLU H . 51260 3
35 . 1 . 1 10 10 GLU C C 13 176.538 0.002 . 1 . . . . . 164 GLU C . 51260 3
36 . 1 . 1 10 10 GLU CA C 13 56.814 0.010 . 1 . . . . . 164 GLU CA . 51260 3
37 . 1 . 1 10 10 GLU N N 15 122.214 0.004 . 1 . . . . . 164 GLU N . 51260 3
38 . 1 . 1 11 11 THR H H 1 8.092 0.001 . 1 . . . . . 165 THR H . 51260 3
39 . 1 . 1 11 11 THR C C 13 174.515 0.002 . 1 . . . . . 165 THR C . 51260 3
40 . 1 . 1 11 11 THR CA C 13 62.042 0.010 . 1 . . . . . 165 THR CA . 51260 3
41 . 1 . 1 11 11 THR N N 15 115.106 0.004 . 1 . . . . . 165 THR N . 51260 3
42 . 1 . 1 12 12 MET H H 1 8.377 0.001 . 1 . . . . . 166 MET H . 51260 3
43 . 1 . 1 12 12 MET C C 13 176.139 0.002 . 1 . . . . . 166 MET C . 51260 3
44 . 1 . 1 12 12 MET CA C 13 55.936 0.010 . 1 . . . . . 166 MET CA . 51260 3
45 . 1 . 1 12 12 MET N N 15 123.288 0.004 . 1 . . . . . 166 MET N . 51260 3
46 . 1 . 1 13 13 LEU H H 1 8.257 0.001 . 1 . . . . . 167 LEU H . 51260 3
47 . 1 . 1 13 13 LEU C C 13 177.551 0.002 . 1 . . . . . 167 LEU C . 51260 3
48 . 1 . 1 13 13 LEU CA C 13 55.642 0.010 . 1 . . . . . 167 LEU CA . 51260 3
49 . 1 . 1 13 13 LEU N N 15 123.848 0.004 . 1 . . . . . 167 LEU N . 51260 3
50 . 1 . 1 14 14 THR H H 1 8.021 0.001 . 1 . . . . . 168 THR H . 51260 3
51 . 1 . 1 14 14 THR C C 13 174.568 0.002 . 1 . . . . . 168 THR C . 51260 3
52 . 1 . 1 14 14 THR CA C 13 62.131 0.010 . 1 . . . . . 168 THR CA . 51260 3
53 . 1 . 1 14 14 THR N N 15 114.814 0.004 . 1 . . . . . 168 THR N . 51260 3
54 . 1 . 1 15 15 GLU H H 1 8.362 0.001 . 1 . . . . . 169 GLU H . 51260 3
55 . 1 . 1 15 15 GLU C C 13 176.387 0.002 . 1 . . . . . 169 GLU C . 51260 3
56 . 1 . 1 15 15 GLU CA C 13 56.752 0.010 . 1 . . . . . 169 GLU CA . 51260 3
57 . 1 . 1 15 15 GLU N N 15 123.641 0.004 . 1 . . . . . 169 GLU N . 51260 3
58 . 1 . 1 16 16 ILE H H 1 8.089 0.001 . 1 . . . . . 170 ILE H . 51260 3
59 . 1 . 1 16 16 ILE C C 13 176.425 0.002 . 1 . . . . . 170 ILE C . 51260 3
60 . 1 . 1 16 16 ILE CA C 13 61.532 0.010 . 1 . . . . . 170 ILE CA . 51260 3
61 . 1 . 1 16 16 ILE N N 15 121.901 0.004 . 1 . . . . . 170 ILE N . 51260 3
62 . 1 . 1 17 17 MET H H 1 8.375 0.001 . 1 . . . . . 171 MET H . 51260 3
63 . 1 . 1 17 17 MET C C 13 176.242 0.002 . 1 . . . . . 171 MET C . 51260 3
64 . 1 . 1 17 17 MET CA C 13 55.768 0.010 . 1 . . . . . 171 MET CA . 51260 3
65 . 1 . 1 17 17 MET N N 15 124.672 0.004 . 1 . . . . . 171 MET N . 51260 3
66 . 1 . 1 18 18 SER H H 1 8.221 0.001 . 1 . . . . . 172 SER H . 51260 3
67 . 1 . 1 18 18 SER C C 13 174.554 0.002 . 1 . . . . . 172 SER C . 51260 3
68 . 1 . 1 18 18 SER CA C 13 58.458 0.010 . 1 . . . . . 172 SER CA . 51260 3
69 . 1 . 1 18 18 SER N N 15 117.418 0.004 . 1 . . . . . 172 SER N . 51260 3
70 . 1 . 1 19 19 MET H H 1 8.389 0.001 . 1 . . . . . 173 MET H . 51260 3
71 . 1 . 1 19 19 MET C C 13 176.589 0.002 . 1 . . . . . 173 MET C . 51260 3
72 . 1 . 1 19 19 MET CA C 13 55.857 0.010 . 1 . . . . . 173 MET CA . 51260 3
73 . 1 . 1 19 19 MET N N 15 122.628 0.004 . 1 . . . . . 173 MET N . 51260 3
74 . 1 . 1 20 20 GLY H H 1 8.303 0.001 . 1 . . . . . 174 GLY H . 51260 3
75 . 1 . 1 20 20 GLY C C 13 173.514 0.002 . 1 . . . . . 174 GLY C . 51260 3
76 . 1 . 1 20 20 GLY CA C 13 45.515 0.010 . 1 . . . . . 174 GLY CA . 51260 3
77 . 1 . 1 20 20 GLY N N 15 110.043 0.004 . 1 . . . . . 174 GLY N . 51260 3
78 . 1 . 1 21 21 TYR H H 1 8.012 0.001 . 1 . . . . . 175 TYR H . 51260 3
79 . 1 . 1 21 21 TYR C C 13 175.347 0.002 . 1 . . . . . 175 TYR C . 51260 3
80 . 1 . 1 21 21 TYR CA C 13 58.024 0.010 . 1 . . . . . 175 TYR CA . 51260 3
81 . 1 . 1 21 21 TYR N N 15 120.556 0.004 . 1 . . . . . 175 TYR N . 51260 3
82 . 1 . 1 22 22 GLU H H 1 8.118 0.001 . 1 . . . . . 176 GLU H . 51260 3
83 . 1 . 1 22 22 GLU CA C 13 58.531 0.010 . 1 . . . . . 176 GLU CA . 51260 3
84 . 1 . 1 22 22 GLU N N 15 127.332 0.004 . 1 . . . . . 176 GLU N . 51260 3
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 51260
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'Helix 1 peptide from UBA(1) in 7 M guanidine hydrochloride'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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
10 '2D 1H-15N HSQC' . . . 51260 4
11 '3D HNCO' . . . 51260 4
12 '3D HNCA' . . . 51260 4
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 51260 4
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 SER C C 13 174.588 0.002 . 1 . . . . . 155 SER C . 51260 4
2 . 1 . 1 2 2 THR H H 1 8.292 0.001 . 1 . . . . . 156 THR H . 51260 4
3 . 1 . 1 2 2 THR C C 13 174.277 0.002 . 1 . . . . . 156 THR C . 51260 4
4 . 1 . 1 2 2 THR CA C 13 62.185 0.010 . 1 . . . . . 156 THR CA . 51260 4
5 . 1 . 1 2 2 THR N N 15 117.050 0.004 . 1 . . . . . 156 THR N . 51260 4
6 . 1 . 1 3 3 LEU H H 1 8.274 0.001 . 1 . . . . . 157 LEU H . 51260 4
7 . 1 . 1 3 3 LEU C C 13 177.077 0.002 . 1 . . . . . 157 LEU C . 51260 4
8 . 1 . 1 3 3 LEU CA C 13 55.524 0.010 . 1 . . . . . 157 LEU CA . 51260 4
9 . 1 . 1 3 3 LEU N N 15 125.474 0.004 . 1 . . . . . 157 LEU N . 51260 4
10 . 1 . 1 4 4 VAL H H 1 8.147 0.001 . 1 . . . . . 158 VAL H . 51260 4
11 . 1 . 1 4 4 VAL C C 13 176.315 0.002 . 1 . . . . . 158 VAL C . 51260 4
12 . 1 . 1 4 4 VAL CA C 13 62.462 0.010 . 1 . . . . . 158 VAL CA . 51260 4
13 . 1 . 1 4 4 VAL N N 15 122.352 0.004 . 1 . . . . . 158 VAL N . 51260 4
14 . 1 . 1 5 5 THR H H 1 8.187 0.001 . 1 . . . . . 159 THR H . 51260 4
15 . 1 . 1 5 5 THR C C 13 174.995 0.002 . 1 . . . . . 159 THR C . 51260 4
16 . 1 . 1 5 5 THR CA C 13 61.829 0.010 . 1 . . . . . 159 THR CA . 51260 4
17 . 1 . 1 5 5 THR N N 15 117.894 0.004 . 1 . . . . . 159 THR N . 51260 4
18 . 1 . 1 6 6 GLY H H 1 8.418 0.001 . 1 . . . . . 160 GLY H . 51260 4
19 . 1 . 1 6 6 GLY C C 13 174.010 0.002 . 1 . . . . . 160 GLY C . 51260 4
20 . 1 . 1 6 6 GLY CA C 13 45.656 0.010 . 1 . . . . . 160 GLY CA . 51260 4
21 . 1 . 1 6 6 GLY N N 15 111.878 0.004 . 1 . . . . . 160 GLY N . 51260 4
22 . 1 . 1 7 7 SER H H 1 8.238 0.001 . 1 . . . . . 161 SER H . 51260 4
23 . 1 . 1 7 7 SER C C 13 174.717 0.002 . 1 . . . . . 161 SER C . 51260 4
24 . 1 . 1 7 7 SER CA C 13 58.547 0.010 . 1 . . . . . 161 SER CA . 51260 4
25 . 1 . 1 7 7 SER N N 15 116.309 0.004 . 1 . . . . . 161 SER N . 51260 4
26 . 1 . 1 8 8 GLU H H 1 8.606 0.001 . 1 . . . . . 162 GLU H . 51260 4
27 . 1 . 1 8 8 GLU C C 13 176.213 0.002 . 1 . . . . . 162 GLU C . 51260 4
28 . 1 . 1 8 8 GLU CA C 13 57.219 0.010 . 1 . . . . . 162 GLU CA . 51260 4
29 . 1 . 1 8 8 GLU N N 15 123.479 0.004 . 1 . . . . . 162 GLU N . 51260 4
30 . 1 . 1 9 9 TYR H H 1 8.047 0.001 . 1 . . . . . 163 TYR H . 51260 4
31 . 1 . 1 9 9 TYR C C 13 175.888 0.002 . 1 . . . . . 163 TYR C . 51260 4
32 . 1 . 1 9 9 TYR CA C 13 58.163 0.010 . 1 . . . . . 163 TYR CA . 51260 4
33 . 1 . 1 9 9 TYR N N 15 120.363 0.004 . 1 . . . . . 163 TYR N . 51260 4
34 . 1 . 1 10 10 GLU H H 1 8.295 0.001 . 1 . . . . . 164 GLU H . 51260 4
35 . 1 . 1 10 10 GLU C C 13 176.494 0.002 . 1 . . . . . 164 GLU C . 51260 4
36 . 1 . 1 10 10 GLU CA C 13 56.770 0.010 . 1 . . . . . 164 GLU CA . 51260 4
37 . 1 . 1 10 10 GLU N N 15 122.453 0.004 . 1 . . . . . 164 GLU N . 51260 4
38 . 1 . 1 11 11 THR H H 1 8.107 0.001 . 1 . . . . . 165 THR H . 51260 4
39 . 1 . 1 11 11 THR C C 13 174.460 0.002 . 1 . . . . . 165 THR C . 51260 4
40 . 1 . 1 11 11 THR CA C 13 61.973 0.010 . 1 . . . . . 165 THR CA . 51260 4
41 . 1 . 1 11 11 THR N N 15 115.257 0.004 . 1 . . . . . 165 THR N . 51260 4
42 . 1 . 1 12 12 MET H H 1 8.395 0.001 . 1 . . . . . 166 MET H . 51260 4
43 . 1 . 1 12 12 MET C C 13 176.052 0.002 . 1 . . . . . 166 MET C . 51260 4
44 . 1 . 1 12 12 MET CA C 13 55.908 0.010 . 1 . . . . . 166 MET CA . 51260 4
45 . 1 . 1 12 12 MET N N 15 123.510 0.004 . 1 . . . . . 166 MET N . 51260 4
46 . 1 . 1 13 13 LEU H H 1 8.278 0.001 . 1 . . . . . 167 LEU H . 51260 4
47 . 1 . 1 13 13 LEU C C 13 177.493 0.002 . 1 . . . . . 167 LEU C . 51260 4
48 . 1 . 1 13 13 LEU CA C 13 55.599 0.010 . 1 . . . . . 167 LEU CA . 51260 4
49 . 1 . 1 13 13 LEU N N 15 124.146 0.004 . 1 . . . . . 167 LEU N . 51260 4
50 . 1 . 1 14 14 THR H H 1 8.051 0.001 . 1 . . . . . 168 THR H . 51260 4
51 . 1 . 1 14 14 THR C C 13 174.528 0.002 . 1 . . . . . 168 THR C . 51260 4
52 . 1 . 1 14 14 THR CA C 13 62.077 0.010 . 1 . . . . . 168 THR CA . 51260 4
53 . 1 . 1 14 14 THR N N 15 115.131 0.004 . 1 . . . . . 168 THR N . 51260 4
54 . 1 . 1 15 15 GLU H H 1 8.387 0.001 . 1 . . . . . 169 GLU H . 51260 4
55 . 1 . 1 15 15 GLU C C 13 176.309 0.002 . 1 . . . . . 169 GLU C . 51260 4
56 . 1 . 1 15 15 GLU CA C 13 56.701 0.010 . 1 . . . . . 169 GLU CA . 51260 4
57 . 1 . 1 15 15 GLU N N 15 123.894 0.004 . 1 . . . . . 169 GLU N . 51260 4
58 . 1 . 1 16 16 ILE H H 1 8.107 0.001 . 1 . . . . . 170 ILE H . 51260 4
59 . 1 . 1 16 16 ILE C C 13 176.343 0.002 . 1 . . . . . 170 ILE C . 51260 4
60 . 1 . 1 16 16 ILE CA C 13 61.473 0.010 . 1 . . . . . 170 ILE CA . 51260 4
61 . 1 . 1 16 16 ILE N N 15 122.169 0.004 . 1 . . . . . 170 ILE N . 51260 4
62 . 1 . 1 17 17 MET H H 1 8.400 0.001 . 1 . . . . . 171 MET H . 51260 4
63 . 1 . 1 17 17 MET C C 13 176.180 0.002 . 1 . . . . . 171 MET C . 51260 4
64 . 1 . 1 17 17 MET CA C 13 55.737 0.010 . 1 . . . . . 171 MET CA . 51260 4
65 . 1 . 1 17 17 MET N N 15 125.010 0.004 . 1 . . . . . 171 MET N . 51260 4
66 . 1 . 1 18 18 SER H H 1 8.247 0.001 . 1 . . . . . 172 SER H . 51260 4
67 . 1 . 1 18 18 SER C C 13 174.514 0.002 . 1 . . . . . 172 SER C . 51260 4
68 . 1 . 1 18 18 SER CA C 13 58.440 0.010 . 1 . . . . . 172 SER CA . 51260 4
69 . 1 . 1 18 18 SER N N 15 117.677 0.004 . 1 . . . . . 172 SER N . 51260 4
70 . 1 . 1 19 19 MET H H 1 8.412 0.001 . 1 . . . . . 173 MET H . 51260 4
71 . 1 . 1 19 19 MET C C 13 176.555 0.002 . 1 . . . . . 173 MET C . 51260 4
72 . 1 . 1 19 19 MET CA C 13 55.866 0.010 . 1 . . . . . 173 MET CA . 51260 4
73 . 1 . 1 19 19 MET N N 15 122.820 0.004 . 1 . . . . . 173 MET N . 51260 4
74 . 1 . 1 20 20 GLY H H 1 8.313 0.001 . 1 . . . . . 174 GLY H . 51260 4
75 . 1 . 1 20 20 GLY C C 13 173.470 0.002 . 1 . . . . . 174 GLY C . 51260 4
76 . 1 . 1 20 20 GLY CA C 13 45.547 0.010 . 1 . . . . . 174 GLY CA . 51260 4
77 . 1 . 1 20 20 GLY N N 15 110.230 0.004 . 1 . . . . . 174 GLY N . 51260 4
78 . 1 . 1 21 21 TYR H H 1 8.026 0.001 . 1 . . . . . 175 TYR H . 51260 4
79 . 1 . 1 21 21 TYR C C 13 175.363 0.002 . 1 . . . . . 175 TYR C . 51260 4
80 . 1 . 1 21 21 TYR CA C 13 58.024 0.010 . 1 . . . . . 175 TYR CA . 51260 4
81 . 1 . 1 21 21 TYR N N 15 120.708 0.004 . 1 . . . . . 175 TYR N . 51260 4
82 . 1 . 1 22 22 GLU H H 1 8.152 0.001 . 1 . . . . . 176 GLU H . 51260 4
83 . 1 . 1 22 22 GLU CA C 13 58.589 0.010 . 1 . . . . . 176 GLU CA . 51260 4
84 . 1 . 1 22 22 GLU N N 15 127.504 0.004 . 1 . . . . . 176 GLU N . 51260 4
stop_
save_