###################################
# 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 25738
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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-13C HSQC' . . . 25738 1
2 '2D 1H-1H TOCSY' . . . 25738 1
3 '2D 1H-1H NOESY' . . . 25738 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 SDF-1 HA H 1 4.49 0.01 . 1 . . . . 1 SDF-1 HA . 25738 1
2 . 1 1 1 1 SDF-1 HB2 H 1 2.84 0.01 . 2 . . . . 1 SDF-1 HB2 . 25738 1
3 . 1 1 1 1 SDF-1 HB3 H 1 3.82 0.01 . 2 . . . . 1 SDF-1 HB3 . 25738 1
4 . 1 1 1 1 SDF-1 HD1 H 1 7.51 0.01 . 3 . . . . 1 SDF-1 HD1 . 25738 1
5 . 1 1 1 1 SDF-1 HD2 H 1 7.51 0.01 . 3 . . . . 1 SDF-1 HD2 . 25738 1
6 . 1 1 1 1 SDF-1 HE1 H 1 7.51 0.01 . 3 . . . . 1 SDF-1 HE1 . 25738 1
7 . 1 1 1 1 SDF-1 HE2 H 1 7.51 0.01 . 3 . . . . 1 SDF-1 HE2 . 25738 1
8 . 1 1 1 1 SDF-1 HZ H 1 7.45 0.01 . 1 . . . . 1 SDF-1 HZ . 25738 1
9 . 1 1 1 1 SDF-1 CB C 13 37.6 0.1 . 1 . . . . 1 SDF-1 CB . 25738 1
10 . 1 1 1 1 SDF-1 CD1 C 13 124.2 0.1 . 3 . . . . 1 SDF-1 CD1 . 25738 1
11 . 1 1 1 1 SDF-1 CD2 C 13 124.2 0.1 . 3 . . . . 1 SDF-1 CD2 . 25738 1
12 . 1 1 1 1 SDF-1 CE1 C 13 125.0 0.1 . 3 . . . . 1 SDF-1 CE1 . 25738 1
13 . 1 1 1 1 SDF-1 CE2 C 13 125.0 0.1 . 3 . . . . 1 SDF-1 CE2 . 25738 1
14 . 1 1 1 1 SDF-1 CZ C 13 122.3 0.1 . 1 . . . . 1 SDF-1 CZ . 25738 1
15 . 1 1 2 2 CYS H H 1 7.77 0.01 . 1 . . . . 2 C HN . 25738 1
16 . 1 1 2 2 CYS HA H 1 5.24 0.01 . 2 . . . . 2 C HA . 25738 1
17 . 1 1 2 2 CYS HB2 H 1 3.64 0.01 . 2 . . . . 2 C HB2 . 25738 1
18 . 1 1 2 2 CYS HB3 H 1 3.90 0.01 . 1 . . . . 2 C HB3 . 25738 1
19 . 1 1 2 2 CYS CA C 13 66.6 0.1 . 1 . . . . 2 C CA . 25738 1
20 . 1 1 2 2 CYS CB C 13 40.4 0.1 . 1 . . . . 2 C CB . 25738 1
21 . 1 1 3 3 TYR HA H 1 4.50 0.01 . 1 . . . . 3 Y HA . 25738 1
22 . 1 1 3 3 TYR HB2 H 1 2.93 0.01 . 2 . . . . 3 Y HB2 . 25738 1
23 . 1 1 3 3 TYR HB3 H 1 3.05 0.01 . 2 . . . . 3 Y HB3 . 25738 1
24 . 1 1 3 3 TYR HD1 H 1 7.15 0.01 . 3 . . . . 3 Y HD1 . 25738 1
25 . 1 1 3 3 TYR HD2 H 1 7.15 0.01 . 3 . . . . 3 Y HD2 . 25738 1
26 . 1 1 3 3 TYR HE1 H 1 6.94 0.01 . 3 . . . . 3 Y HE1 . 25738 1
27 . 1 1 3 3 TYR HE2 H 1 6.94 0.01 . 3 . . . . 3 Y HE2 . 25738 1
28 . 1 1 3 3 TYR CA C 13 51.0 0.1 . 1 . . . . 3 Y CA . 25738 1
29 . 1 1 3 3 TYR CB C 13 31.8 0.1 . 1 . . . . 3 Y CB . 25738 1
30 . 1 1 3 3 TYR CD1 C 13 126.3 0.1 . 3 . . . . 3 Y CD1 . 25738 1
31 . 1 1 3 3 TYR CD2 C 13 126.3 0.1 . 3 . . . . 3 Y CD2 . 25738 1
32 . 1 1 3 3 TYR CE1 C 13 111.1 0.1 . 3 . . . . 3 Y CE1 . 25738 1
33 . 1 1 3 3 TYR CE2 C 13 111.1 0.1 . 3 . . . . 3 Y CE2 . 25738 1
34 . 1 1 4 4 TRP H H 1 7.74 0.01 . 1 . . . . 4 W HN . 25738 1
35 . 1 1 4 4 TRP HA H 1 4.63 0.01 . 1 . . . . 4 W HA . 25738 1
36 . 1 1 4 4 TRP HB2 H 1 3.14 0.01 . 2 . . . . 4 W HB2 . 25738 1
37 . 1 1 4 4 TRP HB3 H 1 3.26 0.01 . 2 . . . . 4 W HB3 . 25738 1
38 . 1 1 4 4 TRP HD1 H 1 7.12 0.01 . 1 . . . . 4 W HD1 . 25738 1
39 . 1 1 4 4 TRP HE1 H 1 10.18 0.01 . 1 . . . . 4 W HE1 . 25738 1
40 . 1 1 4 4 TRP HE3 H 1 7.24 0.01 . 1 . . . . 4 W HE3 . 25738 1
41 . 1 1 4 4 TRP HZ2 H 1 7.57 0.01 . 1 . . . . 4 W HZ2 . 25738 1
42 . 1 1 4 4 TRP HZ3 H 1 7.24 0.01 . 1 . . . . 4 W HZ3 . 25738 1
43 . 1 1 4 4 TRP HH2 H 1 7.34 0.01 . 1 . . . . 4 W HH2 . 25738 1
44 . 1 1 4 4 TRP CB C 13 21.3 0.1 . 1 . . . . 4 W CB . 25738 1
45 . 1 1 4 4 TRP CD1 C 13 120.1 0.1 . 1 . . . . 4 W CD1 . 25738 1
46 . 1 1 4 4 TRP CE3 C 13 114.0 0.1 . 1 . . . . 4 W CE3 . 25738 1
47 . 1 1 4 4 TRP CZ2 C 13 107.5 0.1 . 1 . . . . 4 W CZ2 . 25738 1
48 . 1 1 4 4 TRP CZ3 C 13 114.9 0.1 . 1 . . . . 4 W CZ3 . 25738 1
49 . 1 1 4 4 TRP CH2 C 13 117.5 0.1 . 1 . . . . 4 W CH2 . 25738 1
50 . 1 1 5 5 LYS H H 1 8.11 0.01 . 1 . . . . 5 K HN . 25738 1
51 . 1 1 5 5 LYS HA H 1 4.27 0.01 . 1 . . . . 5 K HA . 25738 1
52 . 1 1 5 5 LYS HB2 H 1 1.88 0.01 . 2 . . . . 5 K HB2 . 25738 1
53 . 1 1 5 5 LYS HB3 H 1 1.92 0.01 . 2 . . . . 5 K HB3 . 25738 1
54 . 1 1 5 5 LYS HD2 H 1 1.62 0.01 . 2 . . . . 5 K HD2 . 25738 1
55 . 1 1 5 5 LYS HD3 H 1 1.62 0.01 . 2 . . . . 5 K HD3 . 25738 1
56 . 1 1 5 5 LYS HE2 H 1 2.93 0.01 . 2 . . . . 5 K HE2 . 25738 1
57 . 1 1 5 5 LYS HE3 H 1 2.93 0.01 . 2 . . . . 5 K HE3 . 25738 1
58 . 1 1 5 5 LYS HZ1 H 1 7.71 0.01 . 2 . . . . 5 K HZ . 25738 1
59 . 1 1 5 5 LYS HZ2 H 1 7.71 0.01 . 2 . . . . 5 K HZ . 25738 1
60 . 1 1 5 5 LYS HZ3 H 1 7.71 0.01 . 2 . . . . 5 K HZ . 25738 1
61 . 1 1 5 5 LYS CD C 13 21.6 0.1 . 1 . . . . 5 K CD . 25738 1
62 . 1 1 5 5 LYS CE C 13 34.5 0.1 . 1 . . . . 5 K CE . 25738 1
63 . 1 1 6 6 THR H H 1 7.36 0.01 . 1 . . . . 6 T HN . 25738 1
64 . 1 1 6 6 THR HA H 1 4.34 0.01 . 1 . . . . 6 T HA . 25738 1
65 . 1 1 6 6 THR HB H 1 4.27 0.01 . 2 . . . . 6 T HB . 25738 1
66 . 1 1 6 6 THR HG21 H 1 1.34 0.01 . 2 . . . . 6 T HG2 . 25738 1
67 . 1 1 6 6 THR HG22 H 1 1.34 0.01 . 2 . . . . 6 T HG2 . 25738 1
68 . 1 1 6 6 THR HG23 H 1 1.34 0.01 . 2 . . . . 6 T HG2 . 25738 1
69 . 1 1 6 6 THR CA C 13 55.4 0.1 . 1 . . . . 6 T CA . 25738 1
70 . 1 1 6 6 THR CB C 13 63.6 0.1 . 1 . . . . 6 T CB . 25738 1
71 . 1 1 6 6 THR CG2 C 13 14.3 0.1 . 1 . . . . 6 T CG . 25738 1
72 . 1 1 7 7 CYS H H 1 8.02 0.01 . 1 . . . . 7 C HN . 25738 1
73 . 1 1 7 7 CYS HA H 1 5.39 0.01 . 1 . . . . 7 C HA . 25738 1
74 . 1 1 7 7 CYS HB2 H 1 4.25 0.01 . 2 . . . . 7 C HB2 . 25738 1
75 . 1 1 7 7 CYS HB3 H 1 4.42 0.01 . 2 . . . . 7 C HB3 . 25738 1
76 . 1 1 8 8 THR H H 1 7.59 0.01 . 1 . . . . 8 T HN . 25738 1
77 . 1 1 8 8 THR HA H 1 4.31 0.01 . 1 . . . . 8 T HA . 25738 1
78 . 1 1 8 8 THR HB H 1 4.37 0.01 . 2 . . . . 8 T HB . 25738 1
79 . 1 1 8 8 THR HG21 H 1 1.30 0.01 . 2 . . . . 8 T HG2 . 25738 1
80 . 1 1 8 8 THR HG22 H 1 1.30 0.01 . 2 . . . . 8 T HG2 . 25738 1
81 . 1 1 8 8 THR HG23 H 1 1.30 0.01 . 2 . . . . 8 T HG2 . 25738 1
82 . 1 1 8 8 THR CB C 13 62.3 0.1 . 1 . . . . 8 T CB . 25738 1
83 . 1 1 8 8 THR CG2 C 13 14.8 0.1 . 1 . . . . 8 T CG . 25738 1
stop_
save_