###################################
# 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 25813
_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
1 '2D 1H-1H NOESY' . . . 25813 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 ACE H1 H 1 1.862 0.000 . . . . . . 3 ACE H . 25813 1
2 . 1 1 1 1 ACE H2 H 1 1.862 0.000 . . . . . . 3 ACE H . 25813 1
3 . 1 1 1 1 ACE H3 H 1 1.862 0.000 . . . . . . 3 ACE H . 25813 1
4 . 1 1 2 2 NLE HA H 1 5.030 0.000 . . . . . A 4 NLE HA . 25813 1
5 . 1 1 2 2 NLE HB2 H 1 1.482 0.000 . . . . . A 4 NLE HB2 . 25813 1
6 . 1 1 2 2 NLE HB3 H 1 1.540 0.000 . . . . . A 4 NLE HB3 . 25813 1
7 . 1 1 2 2 NLE HN H 1 7.876 0.000 . . . . . A 4 NLE HN . 25813 1
8 . 1 1 2 2 NLE HD2 H 1 0.816 0.000 . . . . . A 4 NLE HD2 . 25813 1
9 . 1 1 2 2 NLE HD3 H 1 0.816 0.000 . . . . . A 4 NLE HD3 . 25813 1
10 . 1 1 2 2 NLE HE1 H 1 0.491 0.001 . . . . . A 4 NLE HE1 . 25813 1
11 . 1 1 2 2 NLE HE2 H 1 0.491 0.001 . . . . . A 4 NLE HE2 . 25813 1
12 . 1 1 2 2 NLE HE3 H 1 0.491 0.001 . . . . . A 4 NLE HE3 . 25813 1
13 . 1 1 2 2 NLE HG2 H 1 1.140 0.004 . . . . . A 4 NLE HG2 . 25813 1
14 . 1 1 2 2 NLE HG3 H 1 1.140 0.004 . . . . . A 4 NLE HG3 . 25813 1
15 . 1 1 3 3 ASP H H 1 8.826 0.000 . . . . . A 5 ASP H . 25813 1
16 . 1 1 3 3 ASP HA H 1 5.506 0.000 . . . . . A 5 ASP HA . 25813 1
17 . 1 1 3 3 ASP HB2 H 1 2.414 0.000 . . . . . A 5 ASP HB2 . 25813 1
18 . 1 1 3 3 ASP HB3 H 1 2.775 0.001 . . . . . A 5 ASP HB3 . 25813 1
19 . 1 1 4 4 PRO HA H 1 4.098 0.000 . . . . . A 6 PRO HA . 25813 1
20 . 1 1 4 4 PRO HB2 H 1 1.984 0.000 . . . . . A 6 PRO HB2 . 25813 1
21 . 1 1 4 4 PRO HB3 H 1 2.234 0.000 . . . . . A 6 PRO HB3 . 25813 1
22 . 1 1 4 4 PRO HG2 H 1 1.870 0.001 . . . . . A 6 PRO HG2 . 25813 1
23 . 1 1 4 4 PRO HG3 H 1 2.009 0.000 . . . . . A 6 PRO HG3 . 25813 1
24 . 1 1 4 4 PRO HD2 H 1 3.819 0.000 . . . . . A 6 PRO HD2 . 25813 1
25 . 1 1 4 4 PRO HD3 H 1 3.981 0.000 . . . . . A 6 PRO HD3 . 25813 1
26 . 1 1 5 5 PRO HA H 1 4.329 0.000 . . . . . A 7 PRO HA . 25813 1
27 . 1 1 5 5 PRO HB2 H 1 2.034 0.001 . . . . . A 7 PRO HB2 . 25813 1
28 . 1 1 5 5 PRO HB3 H 1 2.426 0.000 . . . . . A 7 PRO HB3 . 25813 1
29 . 1 1 5 5 PRO HG2 H 1 1.536 0.000 . . . . . A 7 PRO HG2 . 25813 1
30 . 1 1 5 5 PRO HG3 H 1 1.970 0.001 . . . . . A 7 PRO HG3 . 25813 1
31 . 1 1 5 5 PRO HD2 H 1 3.262 0.000 . . . . . A 7 PRO HD2 . 25813 1
32 . 1 1 5 5 PRO HD3 H 1 3.485 0.000 . . . . . A 7 PRO HD3 . 25813 1
33 . 1 1 6 6 DPN H H 1 8.716 0.000 . . . . . A 8 DPN H . 25813 1
34 . 1 1 6 6 DPN HA H 1 4.731 0.000 . . . . . A 8 DPN HA . 25813 1
35 . 1 1 6 6 DPN HB2 H 1 2.776 0.000 . . . . . A 8 DPN HB2 . 25813 1
36 . 1 1 6 6 DPN HB3 H 1 2.858 0.000 . . . . . A 8 DPN HB3 . 25813 1
37 . 1 1 6 6 DPN HD1 H 1 6.937 0.000 . . . . . A 8 DPN HD1 . 25813 1
38 . 1 1 6 6 DPN HD2 H 1 6.937 0.000 . . . . . A 8 DPN HD2 . 25813 1
39 . 1 1 6 6 DPN HE1 H 1 6.978 0.000 . . . . . A 8 DPN HE1 . 25813 1
40 . 1 1 6 6 DPN HE2 H 1 6.978 0.000 . . . . . A 8 DPN HE2 . 25813 1
41 . 1 1 7 7 ARG H H 1 8.506 0.000 . . . . . A 9 ARG H . 25813 1
42 . 1 1 7 7 ARG HA H 1 4.723 0.000 . . . . . A 9 ARG HA . 25813 1
43 . 1 1 7 7 ARG HB2 H 1 1.677 0.000 . . . . . A 9 ARG HB2 . 25813 1
44 . 1 1 7 7 ARG HB3 H 1 1.874 0.000 . . . . . A 9 ARG HB3 . 25813 1
45 . 1 1 7 7 ARG HG2 H 1 1.464 0.000 . . . . . A 9 ARG HG2 . 25813 1
46 . 1 1 7 7 ARG HG3 H 1 1.559 0.000 . . . . . A 9 ARG HG3 . 25813 1
47 . 1 1 7 7 ARG HD2 H 1 3.242 0.000 . . . . . A 9 ARG HD2 . 25813 1
48 . 1 1 7 7 ARG HD3 H 1 3.242 0.000 . . . . . A 9 ARG HD3 . 25813 1
49 . 1 1 7 7 ARG HE H 1 7.352 0.000 . . . . . A 9 ARG HE . 25813 1
50 . 1 1 8 8 TRP H H 1 9.085 0.000 . . . . . A 10 TRP H . 25813 1
51 . 1 1 8 8 TRP HA H 1 5.187 0.000 . . . . . A 10 TRP HA . 25813 1
52 . 1 1 8 8 TRP HB2 H 1 3.122 0.000 . . . . . A 10 TRP HB2 . 25813 1
53 . 1 1 8 8 TRP HB3 H 1 3.381 0.000 . . . . . A 10 TRP HB3 . 25813 1
54 . 1 1 8 8 TRP HD1 H 1 7.256 0.000 . . . . . A 10 TRP HD1 . 25813 1
55 . 1 1 8 8 TRP HE1 H 1 10.678 0.000 . . . . . A 10 TRP HE1 . 25813 1
56 . 1 1 8 8 TRP HE3 H 1 7.661 0.000 . . . . . A 10 TRP HE3 . 25813 1
57 . 1 1 8 8 TRP HZ2 H 1 7.467 0.000 . . . . . A 10 TRP HZ2 . 25813 1
58 . 1 1 8 8 TRP HZ3 H 1 6.933 0.000 . . . . . A 10 TRP HZ3 . 25813 1
59 . 1 1 8 8 TRP HH2 H 1 7.051 0.000 . . . . . A 10 TRP HH2 . 25813 1
60 . 1 1 9 9 LYS H H 1 8.679 0.000 . . . . . A 11 LYS H . 25813 1
61 . 1 1 9 9 LYS HA H 1 4.111 0.000 . . . . . A 11 LYS HA . 25813 1
62 . 1 1 9 9 LYS HB2 H 1 1.495 0.000 . . . . . A 11 LYS HB2 . 25813 1
63 . 1 1 9 9 LYS HB3 H 1 1.685 0.000 . . . . . A 11 LYS HB3 . 25813 1
64 . 1 1 9 9 LYS HG2 H 1 1.151 0.000 . . . . . A 11 LYS HG2 . 25813 1
65 . 1 1 9 9 LYS HG3 H 1 1.260 0.000 . . . . . A 11 LYS HG3 . 25813 1
66 . 1 1 9 9 LYS HD2 H 1 1.469 0.000 . . . . . A 11 LYS HD2 . 25813 1
67 . 1 1 9 9 LYS HD3 H 1 1.469 0.000 . . . . . A 11 LYS HD3 . 25813 1
68 . 1 1 9 9 LYS HE2 H 1 2.966 0.000 . . . . . A 11 LYS HE2 . 25813 1
69 . 1 1 9 9 LYS HE3 H 1 3.387 0.000 . . . . . A 11 LYS HE3 . 25813 1
70 . 1 1 9 9 LYS HZ1 H 1 7.914 0.000 . . . . . A 11 LYS HZ1 . 25813 1
71 . 1 1 9 9 LYS HZ2 H 1 7.914 0.000 . . . . . A 11 LYS QZ . 25813 1
72 . 1 1 9 9 LYS HZ3 H 1 7.914 0.000 . . . . . A 11 LYS QZ . 25813 1
73 . 1 1 10 10 NH2 HN1 H 1 6.201 0.000 . . . . . A 12 NH2 HN1 . 25813 1
74 . 1 1 10 10 NH2 HN2 H 1 7.089 0.001 . . . . . A 12 NH2 HN2 . 25813 1
stop_
save_