###################################
# 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 17875
_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_all
_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
4 '2D 1H-15N HSQC' . . . 17875 1
5 '2D 1H-13C HSQC' . . . 17875 1
6 '2D 1H-1H TOCSY' . . . 17875 1
7 '2D 1H-1H COSY' . . . 17875 1
8 '2D 1H-1H COSY' . . . 17875 1
9 '2D 1H-13C HMBC' . . . 17875 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 2 2 PRO HA H 1 4.54 .005 . 1 . . . . 2 PRO HA . 17875 1
2 . 1 1 2 2 PRO HB2 H 1 2.31 .005 . 2 . . . . 2 PRO HB2 . 17875 1
3 . 1 1 2 2 PRO HB3 H 1 1.95 .005 . 2 . . . . 2 PRO HB3 . 17875 1
4 . 1 1 2 2 PRO HG2 H 1 1.99 .005 . 2 . . . . 2 PRO HG2 . 17875 1
5 . 1 1 2 2 PRO HG3 H 1 1.99 .005 . 2 . . . . 2 PRO HG3 . 17875 1
6 . 1 1 2 2 PRO HD2 H 1 3.63 .005 . 2 . . . . 2 PRO HD2 . 17875 1
7 . 1 1 2 2 PRO HD3 H 1 3.63 .005 . 2 . . . . 2 PRO HD3 . 17875 1
8 . 1 1 2 2 PRO C C 13 177.71 .005 . 1 . . . . 2 PRO C . 17875 1
9 . 1 1 2 2 PRO CA C 13 62.66 .005 . 1 . . . . 2 PRO CA . 17875 1
10 . 1 1 2 2 PRO CB C 13 32.63 .005 . 1 . . . . 2 PRO CB . 17875 1
11 . 1 1 2 2 PRO CG C 13 27.22 .005 . 1 . . . . 2 PRO CG . 17875 1
12 . 1 1 2 2 PRO CD C 13 51.50 .005 . 1 . . . . 2 PRO CD . 17875 1
13 . 1 1 3 3 THR H H 1 8.50 .005 . 1 . . . . 3 THR H . 17875 1
14 . 1 1 3 3 THR HA H 1 4.62 .005 . 1 . . . . 3 THR HA . 17875 1
15 . 1 1 3 3 THR HB H 1 4.32 .005 . 1 . . . . 3 THR HB . 17875 1
16 . 1 1 3 3 THR HG21 H 1 1.30 .005 . 1 . . . . 3 THR MG . 17875 1
17 . 1 1 3 3 THR HG22 H 1 1.30 .005 . 1 . . . . 3 THR MG . 17875 1
18 . 1 1 3 3 THR HG23 H 1 1.30 .005 . 1 . . . . 3 THR MG . 17875 1
19 . 1 1 3 3 THR C C 13 174.71 .005 . 1 . . . . 3 THR C . 17875 1
20 . 1 1 3 3 THR CA C 13 59.90 .005 . 1 . . . . 3 THR CA . 17875 1
21 . 1 1 3 3 THR CB C 13 79.34 .005 . 1 . . . . 3 THR CB . 17875 1
22 . 1 1 3 3 THR CG2 C 13 20.93 .005 . 1 . . . . 3 THR CG2 . 17875 1
23 . 1 1 3 3 THR N N 15 113.52 .005 . 1 . . . . 3 THR N . 17875 1
24 . 1 1 4 4 THR H H 1 8.29 .005 . 1 . . . . 4 THR H . 17875 1
25 . 1 1 4 4 THR HA H 1 4.42 .005 . 1 . . . . 4 THR HA . 17875 1
26 . 1 1 4 4 THR HB H 1 4.19 .005 . 1 . . . . 4 THR HB . 17875 1
27 . 1 1 4 4 THR HG21 H 1 1.18 .005 . 1 . . . . 4 THR MG . 17875 1
28 . 1 1 4 4 THR HG22 H 1 1.18 .005 . 1 . . . . 4 THR MG . 17875 1
29 . 1 1 4 4 THR HG23 H 1 1.18 .005 . 1 . . . . 4 THR MG . 17875 1
30 . 1 1 4 4 THR C C 13 174.23 .005 . 1 . . . . 4 THR C . 17875 1
31 . 1 1 4 4 THR CA C 13 61.33 .005 . 1 . . . . 4 THR CA . 17875 1
32 . 1 1 4 4 THR CB C 13 70.33 .005 . 1 . . . . 4 THR CB . 17875 1
33 . 1 1 4 4 THR CG2 C 13 21.68 .005 . 1 . . . . 4 THR CG2 . 17875 1
34 . 1 1 4 4 THR N N 15 114.29 .005 . 1 . . . . 4 THR N . 17875 1
35 . 1 1 5 5 THR H H 1 8.18 .005 . 1 . . . . 5 THR H . 17875 1
36 . 1 1 5 5 THR HA H 1 4.56 .005 . 1 . . . . 5 THR HA . 17875 1
37 . 1 1 5 5 THR HB H 1 4.10 .005 . 1 . . . . 5 THR HB . 17875 1
38 . 1 1 5 5 THR HG21 H 1 1.25 .005 . 1 . . . . 5 THR MG . 17875 1
39 . 1 1 5 5 THR HG22 H 1 1.25 .005 . 1 . . . . 5 THR MG . 17875 1
40 . 1 1 5 5 THR HG23 H 1 1.25 .005 . 1 . . . . 5 THR MG . 17875 1
41 . 1 1 5 5 THR C C 13 172.65 .005 . 1 . . . . 5 THR C . 17875 1
42 . 1 1 5 5 THR CA C 13 60.03 .005 . 1 . . . . 5 THR CA . 17875 1
43 . 1 1 5 5 THR CB C 13 70.06 .005 . 1 . . . . 5 THR CB . 17875 1
44 . 1 1 5 5 THR CG2 C 13 21.38 .005 . 1 . . . . 5 THR CG2 . 17875 1
45 . 1 1 5 5 THR N N 15 118.81 .005 . 1 . . . . 5 THR N . 17875 1
46 . 1 1 6 6 PRO HA H 1 4.40 .005 . 1 . . . . 6 PRO HA . 17875 1
47 . 1 1 6 6 PRO HB2 H 1 2.30 .005 . 2 . . . . 6 PRO HB2 . 17875 1
48 . 1 1 6 6 PRO HB3 H 1 1.87 .005 . 2 . . . . 6 PRO HB3 . 17875 1
49 . 1 1 6 6 PRO HG2 H 1 2.00 .005 . 2 . . . . 6 PRO HG2 . 17875 1
50 . 1 1 6 6 PRO HG3 H 1 2.00 .005 . 2 . . . . 6 PRO HG3 . 17875 1
51 . 1 1 6 6 PRO HD2 H 1 3.86 .005 . 2 . . . . 6 PRO HD2 . 17875 1
52 . 1 1 6 6 PRO HD3 H 1 3.71 .005 . 2 . . . . 6 PRO HD3 . 17875 1
53 . 1 1 6 6 PRO C C 13 176.82 .005 . 1 . . . . 6 PRO C . 17875 1
54 . 1 1 6 6 PRO CA C 13 63.19 .005 . 1 . . . . 6 PRO CA . 17875 1
55 . 1 1 6 6 PRO CB C 13 32.15 .005 . 1 . . . . 6 PRO CB . 17875 1
56 . 1 1 6 6 PRO CG C 13 27.32 .005 . 1 . . . . 6 PRO CG . 17875 1
57 . 1 1 6 6 PRO CD C 13 51.33 .005 . 1 . . . . 6 PRO CD . 17875 1
58 . 1 1 7 7 LEU H H 1 8.32 .005 . 1 . . . . 7 LEU H . 17875 1
59 . 1 1 7 7 LEU HA H 1 4.27 .005 . 1 . . . . 7 LEU HA . 17875 1
60 . 1 1 7 7 LEU HB2 H 1 1.63 .005 . 2 . . . . 7 LEU HB2 . 17875 1
61 . 1 1 7 7 LEU HB3 H 1 1.55 .005 . 2 . . . . 7 LEU HB3 . 17875 1
62 . 1 1 7 7 LEU HG H 1 1.65 .005 . 1 . . . . 7 LEU HG . 17875 1
63 . 1 1 7 7 LEU HD11 H 1 0.92 .005 . 2 . . . . 7 LEU MD1 . 17875 1
64 . 1 1 7 7 LEU HD12 H 1 0.92 .005 . 2 . . . . 7 LEU MD1 . 17875 1
65 . 1 1 7 7 LEU HD13 H 1 0.92 .005 . 2 . . . . 7 LEU MD1 . 17875 1
66 . 1 1 7 7 LEU HD21 H 1 0.87 .005 . 2 . . . . 7 LEU MD2 . 17875 1
67 . 1 1 7 7 LEU HD22 H 1 0.87 .005 . 2 . . . . 7 LEU MD2 . 17875 1
68 . 1 1 7 7 LEU HD23 H 1 0.87 .005 . 2 . . . . 7 LEU MD2 . 17875 1
69 . 1 1 7 7 LEU C C 13 177.45 .005 . 1 . . . . 7 LEU C . 17875 1
70 . 1 1 7 7 LEU CA C 13 55.41 .005 . 1 . . . . 7 LEU CA . 17875 1
71 . 1 1 7 7 LEU CB C 13 42.27 .005 . 1 . . . . 7 LEU CB . 17875 1
72 . 1 1 7 7 LEU CG C 13 27.06 .005 . 1 . . . . 7 LEU CG . 17875 1
73 . 1 1 7 7 LEU CD1 C 13 24.84 .005 . 2 . . . . 7 LEU CD1 . 17875 1
74 . 1 1 7 7 LEU CD2 C 13 23.44 .005 . 2 . . . . 7 LEU CD2 . 17875 1
75 . 1 1 7 7 LEU N N 15 122.91 .005 . 1 . . . . 7 LEU N . 17875 1
76 . 1 1 8 8 LYS H H 1 8.25 .005 . 1 . . . . 8 LYS H . 17875 1
77 . 1 1 8 8 LYS HA H 1 4.27 .005 . 1 . . . . 8 LYS HA . 17875 1
78 . 1 1 8 8 LYS HB2 H 1 1.81 .005 . 2 . . . . 8 LYS HB2 . 17875 1
79 . 1 1 8 8 LYS HB3 H 1 1.74 .005 . 2 . . . . 8 LYS HB3 . 17875 1
80 . 1 1 8 8 LYS HG2 H 1 1.43 .005 . 2 . . . . 8 LYS HG2 . 17875 1
81 . 1 1 8 8 LYS HG3 H 1 1.38 .005 . 2 . . . . 8 LYS HG3 . 17875 1
82 . 1 1 8 8 LYS HD2 H 1 1.66 .005 . 2 . . . . 8 LYS HD2 . 17875 1
83 . 1 1 8 8 LYS HD3 H 1 1.66 .005 . 2 . . . . 8 LYS HD3 . 17875 1
84 . 1 1 8 8 LYS HE2 H 1 2.97 .005 . 2 . . . . 8 LYS HE2 . 17875 1
85 . 1 1 8 8 LYS HE3 H 1 2.97 .005 . 2 . . . . 8 LYS HE3 . 17875 1
86 . 1 1 8 8 LYS C C 13 179.09 .005 . 1 . . . . 8 LYS C . 17875 1
87 . 1 1 8 8 LYS CA C 13 55.96 .005 . 1 . . . . 8 LYS CA . 17875 1
88 . 1 1 8 8 LYS CB C 13 33.16 .005 . 1 . . . . 8 LYS CB . 17875 1
89 . 1 1 8 8 LYS CG C 13 24.73 .005 . 1 . . . . 8 LYS CG . 17875 1
90 . 1 1 8 8 LYS CD C 13 29.10 .005 . 1 . . . . 8 LYS CD . 17875 1
91 . 1 1 8 8 LYS CE C 13 42.17 .005 . 1 . . . . 8 LYS CE . 17875 1
92 . 1 1 8 8 LYS N N 15 122.84 .005 . 1 . . . . 8 LYS N . 17875 1
93 . 2 2 1 1 A2G H1 H 1 4.91 .005 . 1 . . . . 10 A2G H1 . 17875 1
94 . 2 2 1 1 A2G H2 H 1 4.07 .005 . 1 . . . . 10 A2G H2 . 17875 1
95 . 2 2 1 1 A2G H3 H 1 3.89 .005 . 1 . . . . 10 A2G H3 . 17875 1
96 . 2 2 1 1 A2G H4 H 1 3.97 .005 . 1 . . . . 10 A2G H4 . 17875 1
97 . 2 2 1 1 A2G H5 H 1 4.02 .005 . 1 . . . . 10 A2G H5 . 17875 1
98 . 2 2 1 1 A2G H6 H 1 3.75 .005 . 2 . . . . 10 A2G H6 . 17875 1
99 . 2 2 1 1 A2G H8 H 1 2.01 .005 . 2 . . . . 10 A2G H8 . 17875 1
100 . 2 2 1 1 A2G H8A H 1 2.01 .005 . 2 . . . . 10 A2G H8A . 17875 1
101 . 2 2 1 1 A2G H8B H 1 2.01 .005 . 2 . . . . 10 A2G H8B . 17875 1
102 . 2 2 1 1 A2G H14 H 1 3.75 .005 . 2 . . . . 10 A2G H14 . 17875 1
103 . 2 2 1 1 A2G HN2 H 1 7.62 .005 . 1 . . . . 10 A2G HN2 . 17875 1
104 . 2 2 1 1 A2G C1 C 13 101.65 .005 . 1 . . . . 10 A2G C1 . 17875 1
105 . 2 2 1 1 A2G C2 C 13 52.59 .005 . 1 . . . . 10 A2G C2 . 17875 1
106 . 2 2 1 1 A2G C3 C 13 70.87 .005 . 1 . . . . 10 A2G C3 . 17875 1
107 . 2 2 1 1 A2G C4 C 13 71.36 .005 . 1 . . . . 10 A2G C4 . 17875 1
108 . 2 2 1 1 A2G C5 C 13 74.06 .005 . 1 . . . . 10 A2G C5 . 17875 1
109 . 2 2 1 1 A2G C6 C 13 64.12 .005 . 1 . . . . 10 A2G C6 . 17875 1
110 . 2 2 1 1 A2G C7 C 13 176.82 .005 . 1 . . . . 10 A2G C7 . 17875 1
111 . 2 2 1 1 A2G C8 C 13 24.97 .005 . 1 . . . . 10 A2G C8 . 17875 1
112 . 2 2 1 1 A2G N2 N 15 122.65 .005 . 1 . . . . 10 A2G N2 . 17875 1
stop_
save_