###################################
# 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 34491
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 0.01
_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 NOESY' . . . 34491 1
2 '2D TOCSY' . . . 34491 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 PRO HA H 1 4.312 0.002 . . . . . . A 2 PRO HA . 34491 1
2 . 1 . 1 1 1 PRO HB2 H 1 2.072 0.002 . . . . . . A 2 PRO HB2 . 34491 1
3 . 1 . 1 1 1 PRO HB3 H 1 1.981 0.001 . . . . . . A 2 PRO HB3 . 34491 1
4 . 1 . 1 1 1 PRO HG2 H 1 1.681 0.000 . . . . . . A 2 PRO HG2 . 34491 1
5 . 1 . 1 1 1 PRO HG3 H 1 1.589 0.001 . . . . . . A 2 PRO HG3 . 34491 1
6 . 1 . 1 1 1 PRO HD2 H 1 3.298 0.003 . . . . . . A 2 PRO HD2 . 34491 1
7 . 1 . 1 1 1 PRO HD3 H 1 3.228 0.002 . . . . . . A 2 PRO HD3 . 34491 1
8 . 1 . 1 2 2 CYS H H 1 8.492 0.000 . . . . . . A 3 CYS H . 34491 1
9 . 1 . 1 2 2 CYS HA H 1 4.448 0.000 . . . . . . A 3 CYS HA . 34491 1
10 . 1 . 1 2 2 CYS HB2 H 1 2.876 0.000 . . . . . . A 3 CYS HB2 . 34491 1
11 . 1 . 1 2 2 CYS HB3 H 1 2.751 0.000 . . . . . . A 3 CYS HB3 . 34491 1
12 . 1 . 1 3 3 LYS H H 1 8.233 0.001 . . . . . . A 4 LYS H . 34491 1
13 . 1 . 1 3 3 LYS HA H 1 4.253 0.000 . . . . . . A 4 LYS HA . 34491 1
14 . 1 . 1 3 3 LYS HB2 H 1 1.435 0.003 . . . . . . A 4 LYS HB2 . 34491 1
15 . 1 . 1 3 3 LYS HB3 H 1 1.304 0.002 . . . . . . A 4 LYS HB3 . 34491 1
16 . 1 . 1 3 3 LYS HG2 H 1 1.139 0.001 . . . . . . A 4 LYS HG2 . 34491 1
17 . 1 . 1 3 3 LYS HG3 H 1 1.034 0.001 . . . . . . A 4 LYS HG3 . 34491 1
18 . 1 . 1 3 3 LYS HD2 H 1 1.259 0.001 . . . . . . A 4 LYS HD2 . 34491 1
19 . 1 . 1 3 3 LYS HE2 H 1 2.613 0.004 . . . . . . A 4 LYS HE2 . 34491 1
20 . 1 . 1 3 3 LYS HZ1 H 1 7.354 0.002 . . . . . . A 4 LYS HZ1 . 34491 1
21 . 1 . 1 3 3 LYS HZ2 H 1 8.305 0.001 . . . . . . A 4 LYS HZ2 . 34491 1
22 . 1 . 1 3 3 LYS HZ3 H 1 8.305 0.001 . . . . . . A 4 LYS HZ3 . 34491 1
23 . 1 . 1 4 4 ASN H H 1 8.226 0.002 . . . . . . A 5 ASN H . 34491 1
24 . 1 . 1 4 4 ASN HA H 1 4.501 0.002 . . . . . . A 5 ASN HA . 34491 1
25 . 1 . 1 4 4 ASN HB2 H 1 2.306 0.001 . . . . . . A 5 ASN HB2 . 34491 1
26 . 1 . 1 4 4 ASN HD21 H 1 7.278 0.001 . . . . . . A 5 ASN HD21 . 34491 1
27 . 1 . 1 4 4 ASN HD22 H 1 6.732 0.002 . . . . . . A 5 ASN HD22 . 34491 1
28 . 1 . 1 5 5 O6H HA H 1 4.467 0.000 . . . . . . A 6 O6H HA . 34491 1
29 . 1 . 1 5 5 O6H HB2 H 1 2.720 0.005 . . . . . . A 6 O6H HB2 . 34491 1
30 . 1 . 1 5 5 O6H HN H 1 7.870 0.001 . . . . . . A 6 O6H HN . 34491 1
31 . 1 . 1 5 5 O6H HE1 H 1 6.615 0.004 . . . . . . A 6 O6H QE . 34491 1
32 . 1 . 1 5 5 O6H HE2 H 1 6.615 0.004 . . . . . . A 6 O6H QE . 34491 1
33 . 1 . 1 5 5 O6H HF11 H 1 1.902 0.001 . . . . . . A 6 O6H QF+ . 34491 1
34 . 1 . 1 5 5 O6H HF12 H 1 1.902 0.001 . . . . . . A 6 O6H QF+ . 34491 1
35 . 1 . 1 5 5 O6H HF13 H 1 1.902 0.001 . . . . . . A 6 O6H QF+ . 34491 1
36 . 1 . 1 5 5 O6H HH1 H 1 1.830 0.019 . . . . . . A 6 O6H QH . 34491 1
37 . 1 . 1 5 5 O6H HH2 H 1 1.830 0.019 . . . . . . A 6 O6H QH . 34491 1
38 . 1 . 1 5 5 O6H HH3 H 1 1.830 0.019 . . . . . . A 6 O6H QH . 34491 1
39 . 1 . 1 6 6 PHE H H 1 8.097 0.003 . . . . . . A 7 PHE H . 34491 1
40 . 1 . 1 6 6 PHE HA H 1 4.450 0.001 . . . . . . A 7 PHE HA . 34491 1
41 . 1 . 1 6 6 PHE HB2 H 1 2.753 0.001 . . . . . . A 7 PHE HB2 . 34491 1
42 . 1 . 1 6 6 PHE HD1 H 1 7.006 0.001 . . . . . . A 7 PHE HD1 . 34491 1
43 . 1 . 1 6 6 PHE HD2 H 1 7.006 0.001 . . . . . . A 7 PHE HD2 . 34491 1
44 . 1 . 1 6 6 PHE HE1 H 1 7.042 0.164 . . . . . . A 7 PHE HE1 . 34491 1
45 . 1 . 1 6 6 PHE HE2 H 1 7.042 0.164 . . . . . . A 7 PHE HE2 . 34491 1
46 . 1 . 1 6 6 PHE HZ H 1 7.058 0.002 . . . . . . A 7 PHE HZ . 34491 1
47 . 1 . 1 7 7 DTR H H 1 8.346 0.000 . . . . . . A 8 DTR H . 34491 1
48 . 1 . 1 7 7 DTR HA H 1 4.282 0.003 . . . . . . A 8 DTR HA . 34491 1
49 . 1 . 1 7 7 DTR HB2 H 1 2.826 0.003 . . . . . . A 8 DTR HB2 . 34491 1
50 . 1 . 1 7 7 DTR HD1 H 1 6.864 0.002 . . . . . . A 8 DTR HD1 . 34491 1
51 . 1 . 1 7 7 DTR HE1 H 1 9.972 0.001 . . . . . . A 8 DTR HE1 . 34491 1
52 . 1 . 1 7 7 DTR HE3 H 1 7.353 0.000 . . . . . . A 8 DTR HE3 . 34491 1
53 . 1 . 1 7 7 DTR HH2 H 1 6.981 0.002 . . . . . . A 8 DTR HH2 . 34491 1
54 . 1 . 1 7 7 DTR HZ2 H 1 7.233 0.001 . . . . . . A 8 DTR HZ2 . 34491 1
55 . 1 . 1 7 7 DTR HZ3 H 1 6.897 0.001 . . . . . . A 8 DTR HZ3 . 34491 1
56 . 1 . 1 8 8 LYS H H 1 8.081 0.001 . . . . . . A 9 LYS H . 34491 1
57 . 1 . 1 8 8 LYS HA H 1 3.871 0.000 . . . . . . A 9 LYS HA . 34491 1
58 . 1 . 1 8 8 LYS HB2 H 1 1.342 0.004 . . . . . . A 9 LYS HB2 . 34491 1
59 . 1 . 1 8 8 LYS HB3 H 1 0.978 0.006 . . . . . . A 9 LYS HB3 . 34491 1
60 . 1 . 1 8 8 LYS HG2 H 1 0.283 0.001 . . . . . . A 9 LYS HG2 . 34491 1
61 . 1 . 1 8 8 LYS HG3 H 1 0.099 0.001 . . . . . . A 9 LYS HG3 . 34491 1
62 . 1 . 1 8 8 LYS HD2 H 1 1.055 0.001 . . . . . . A 9 LYS HD2 . 34491 1
63 . 1 . 1 8 8 LYS HE2 H 1 2.436 0.002 . . . . . . A 9 LYS HE2 . 34491 1
64 . 1 . 1 8 8 LYS HE3 H 1 2.356 0.002 . . . . . . A 9 LYS HE3 . 34491 1
65 . 1 . 1 8 8 LYS HZ1 H 1 7.233 0.000 . . . . . . A 9 LYS HZ1 . 34491 1
66 . 1 . 1 8 8 LYS HZ2 H 1 7.233 0.000 . . . . . . A 9 LYS HZ2 . 34491 1
67 . 1 . 1 8 8 LYS HZ3 H 1 7.233 0.000 . . . . . . A 9 LYS HZ3 . 34491 1
68 . 1 . 1 9 9 THR H H 1 7.919 0.001 . . . . . . A 10 THR H . 34491 1
69 . 1 . 1 9 9 THR HA H 1 4.063 0.001 . . . . . . A 10 THR HA . 34491 1
70 . 1 . 1 9 9 THR HB H 1 3.994 0.001 . . . . . . A 10 THR HB . 34491 1
71 . 1 . 1 9 9 THR HG21 H 1 0.886 0.002 . . . . . . A 10 THR HG21 . 34491 1
72 . 1 . 1 9 9 THR HG22 H 1 0.886 0.002 . . . . . . A 10 THR HG22 . 34491 1
73 . 1 . 1 9 9 THR HG23 H 1 0.886 0.002 . . . . . . A 10 THR HG23 . 34491 1
74 . 1 . 1 10 10 PHE H H 1 8.293 0.119 . . . . . . A 11 PHE H . 34491 1
75 . 1 . 1 10 10 PHE HA H 1 4.732 0.004 . . . . . . A 11 PHE HA . 34491 1
76 . 1 . 1 10 10 PHE HB2 H 1 2.620 0.000 . . . . . . A 11 PHE HB2 . 34491 1
77 . 1 . 1 10 10 PHE HD1 H 1 6.648 0.063 . . . . . . A 11 PHE HD1 . 34491 1
78 . 1 . 1 10 10 PHE HD2 H 1 6.648 0.063 . . . . . . A 11 PHE HD2 . 34491 1
79 . 1 . 1 10 10 PHE HE1 H 1 6.928 0.009 . . . . . . A 11 PHE HE1 . 34491 1
80 . 1 . 1 10 10 PHE HE2 H 1 6.928 0.009 . . . . . . A 11 PHE HE2 . 34491 1
81 . 1 . 1 10 10 PHE HZ H 1 6.968 0.001 . . . . . . A 11 PHE HZ . 34491 1
82 . 1 . 1 11 11 THR H H 1 8.062 0.000 . . . . . . A 12 THR H . 34491 1
83 . 1 . 1 11 11 THR HA H 1 4.069 0.001 . . . . . . A 12 THR HA . 34491 1
84 . 1 . 1 11 11 THR HB H 1 3.799 0.000 . . . . . . A 12 THR HB . 34491 1
85 . 1 . 1 11 11 THR HG21 H 1 0.861 0.003 . . . . . . A 12 THR HG21 . 34491 1
86 . 1 . 1 11 11 THR HG22 H 1 0.861 0.003 . . . . . . A 12 THR HG22 . 34491 1
87 . 1 . 1 11 11 THR HG23 H 1 0.861 0.003 . . . . . . A 12 THR HG23 . 34491 1
88 . 1 . 1 12 12 SER H H 1 8.066 0.000 . . . . . . A 13 SER H . 34491 1
89 . 1 . 1 12 12 SER HA H 1 4.119 0.000 . . . . . . A 13 SER HA . 34491 1
90 . 1 . 1 12 12 SER HB2 H 1 3.631 0.002 . . . . . . A 13 SER HB2 . 34491 1
91 . 1 . 1 12 12 SER HB3 H 1 3.630 0.002 . . . . . . A 13 SER HB3 . 34491 1
92 . 1 . 1 13 13 CYS H H 1 8.160 0.002 . . . . . . A 14 CYS H . 34491 1
93 . 1 . 1 13 13 CYS HA H 1 4.331 0.000 . . . . . . A 14 CYS HA . 34491 1
94 . 1 . 1 13 13 CYS HB2 H 1 3.026 0.001 . . . . . . A 14 CYS HB2 . 34491 1
95 . 1 . 1 13 13 CYS HB3 H 1 2.721 0.000 . . . . . . A 14 CYS HB3 . 34491 1
96 . 1 . 1 14 14 LYS H H 1 8.148 0.000 . . . . . . A 15 LYS H . 34491 1
97 . 1 . 1 14 14 LYS HA H 1 4.040 0.001 . . . . . . A 15 LYS HA . 34491 1
98 . 1 . 1 14 14 LYS HB2 H 1 1.630 0.001 . . . . . . A 15 LYS HB2 . 34491 1
99 . 1 . 1 14 14 LYS HB3 H 1 1.487 0.002 . . . . . . A 15 LYS HB3 . 34491 1
100 . 1 . 1 14 14 LYS HG2 H 1 1.161 0.000 . . . . . . A 15 LYS HG2 . 34491 1
101 . 1 . 1 14 14 LYS HG3 H 1 1.157 0.000 . . . . . . A 15 LYS HG3 . 34491 1
102 . 1 . 1 14 14 LYS HD2 H 1 1.413 0.001 . . . . . . A 15 LYS HD2 . 34491 1
103 . 1 . 1 14 14 LYS HE2 H 1 2.718 0.002 . . . . . . A 15 LYS HE2 . 34491 1
104 . 1 . 1 14 14 LYS HZ1 H 1 7.313 0.001 . . . . . . A 15 LYS HZ1 . 34491 1
105 . 1 . 1 14 14 LYS HZ2 H 1 7.313 0.001 . . . . . . A 15 LYS HZ2 . 34491 1
106 . 1 . 1 14 14 LYS HZ3 H 1 7.313 0.001 . . . . . . A 15 LYS HZ3 . 34491 1
stop_
save_