###################################
# 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 27362
_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-15N HSQC' . . . 27362 1
2 '2D 1H-1H TOCSY' . . . 27362 1
3 '2D 1H-1H NOESY' . . . 27362 1
4 '3D 1H-15N TOCSY' . . . 27362 1
5 '3D 1H-15N NOESY' . . . 27362 1
6 '2D 1H-13C HSQC' . . . 27362 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.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 3 3 LEU H H 1 8.04 0.03 . 1 . . . . . 1 LEU H . 27362 1
2 . 1 1 3 3 LEU N N 15 121.3 0.2 . 1 . . . . . 1 LEU N . 27362 1
3 . 1 1 4 4 PHE H H 1 9.31 0.03 . 1 . . . . . 2 PHE H . 27362 1
4 . 1 1 4 4 PHE N N 15 125.0 0.2 . 1 . . . . . 2 PHE N . 27362 1
5 . 1 1 5 5 VAL H H 1 9.47 0.03 . 1 . . . . . 3 VAL H . 27362 1
6 . 1 1 5 5 VAL N N 15 117.3 0.2 . 1 . . . . . 3 VAL N . 27362 1
7 . 1 1 6 6 ALA H H 1 8.39 0.03 . 1 . . . . . 4 ALA H . 27362 1
8 . 1 1 6 6 ALA N N 15 126.8 0.2 . 1 . . . . . 4 ALA N . 27362 1
9 . 1 1 7 7 LEU H H 1 9.59 0.03 . 1 . . . . . 5 LEU H . 27362 1
10 . 1 1 7 7 LEU N N 15 127.8 0.2 . 1 . . . . . 5 LEU N . 27362 1
11 . 1 1 8 8 PTR H H 1 7.21 0.03 . 1 . . . . . 6 TYR H . 27362 1
12 . 1 1 8 8 PTR N N 15 112.8 0.2 . 1 . . . . . 6 TYR N . 27362 1
13 . 1 1 9 9 ASP H H 1 8.29 0.03 . 1 . . . . . 7 ASP H . 27362 1
14 . 1 1 9 9 ASP N N 15 117.0 0.2 . 1 . . . . . 7 ASP N . 27362 1
15 . 1 1 10 10 PHE H H 1 8.77 0.03 . 1 . . . . . 8 PHE H . 27362 1
16 . 1 1 10 10 PHE N N 15 121.2 0.2 . 1 . . . . . 8 PHE N . 27362 1
17 . 1 1 11 11 VAL H H 1 8.01 0.03 . 1 . . . . . 9 VAL H . 27362 1
18 . 1 1 11 11 VAL N N 15 128.9 0.2 . 1 . . . . . 9 VAL N . 27362 1
19 . 1 1 12 12 ALA H H 1 8.27 0.03 . 1 . . . . . 10 ALA H . 27362 1
20 . 1 1 12 12 ALA N N 15 129.4 0.2 . 1 . . . . . 10 ALA N . 27362 1
21 . 1 1 13 13 SER H H 1 8.03 0.03 . 1 . . . . . 11 SER H . 27362 1
22 . 1 1 13 13 SER N N 15 115.3 0.2 . 1 . . . . . 11 SER N . 27362 1
23 . 1 1 16 16 ASN H H 1 8.60 0.03 . 1 . . . . . 14 ASN H . 27362 1
24 . 1 1 16 16 ASN N N 15 116.0 0.2 . 1 . . . . . 14 ASN N . 27362 1
25 . 1 1 17 17 THR H H 1 7.81 0.03 . 1 . . . . . 15 THR H . 27362 1
26 . 1 1 17 17 THR N N 15 108.9 0.2 . 1 . . . . . 15 THR N . 27362 1
27 . 1 1 18 18 LEU H H 1 8.29 0.03 . 1 . . . . . 16 LEU H . 27362 1
28 . 1 1 18 18 LEU N N 15 125.8 0.2 . 1 . . . . . 16 LEU N . 27362 1
29 . 1 1 19 19 SER H H 1 8.17 0.03 . 1 . . . . . 17 SER H . 27362 1
30 . 1 1 19 19 SER N N 15 120.7 0.2 . 1 . . . . . 17 SER N . 27362 1
31 . 1 1 20 20 ILE H H 1 9.04 0.03 . 1 . . . . . 18 ILE H . 27362 1
32 . 1 1 20 20 ILE N N 15 117.8 0.2 . 1 . . . . . 18 ILE N . 27362 1
33 . 1 1 21 21 THR H H 1 9.00 0.03 . 1 . . . . . 19 THR H . 27362 1
34 . 1 1 21 21 THR N N 15 119.0 0.2 . 1 . . . . . 19 THR N . 27362 1
35 . 1 1 22 22 LYS H H 1 8.96 0.03 . 1 . . . . . 20 LYS H . 27362 1
36 . 1 1 22 22 LYS N N 15 124.6 0.2 . 1 . . . . . 20 LYS N . 27362 1
37 . 1 1 23 23 GLY H H 1 8.97 0.03 . 1 . . . . . 21 GLY H . 27362 1
38 . 1 1 23 23 GLY N N 15 115.1 0.2 . 1 . . . . . 21 GLY N . 27362 1
39 . 1 1 25 25 LYS H H 1 8.35 0.03 . 1 . . . . . 23 LYS H . 27362 1
40 . 1 1 25 25 LYS N N 15 122.0 0.2 . 1 . . . . . 23 LYS N . 27362 1
41 . 1 1 26 26 LEU H H 1 9.17 0.03 . 1 . . . . . 24 LEU H . 27362 1
42 . 1 1 26 26 LEU N N 15 119.8 0.2 . 1 . . . . . 24 LEU N . 27362 1
43 . 1 1 27 27 ARG H H 1 8.30 0.03 . 1 . . . . . 25 ARG H . 27362 1
44 . 1 1 27 27 ARG N N 15 120.0 0.2 . 1 . . . . . 25 ARG N . 27362 1
45 . 1 1 28 28 VAL H H 1 8.58 0.03 . 1 . . . . . 26 VAL H . 27362 1
46 . 1 1 28 28 VAL N N 15 124.5 0.2 . 1 . . . . . 26 VAL N . 27362 1
47 . 1 1 29 29 LEU H H 1 9.26 0.03 . 1 . . . . . 27 LEU H . 27362 1
48 . 1 1 29 29 LEU N N 15 128.5 0.2 . 1 . . . . . 27 LEU N . 27362 1
49 . 1 1 30 30 GLY H H 1 6.96 0.03 . 1 . . . . . 28 GLY H . 27362 1
50 . 1 1 30 30 GLY N N 15 105.5 0.2 . 1 . . . . . 28 GLY N . 27362 1
51 . 1 1 31 31 TYR H H 1 8.75 0.03 . 1 . . . . . 29 TYR H . 27362 1
52 . 1 1 31 31 TYR N N 15 116.9 0.2 . 1 . . . . . 29 TYR N . 27362 1
53 . 1 1 32 32 ASN H H 1 8.92 0.03 . 1 . . . . . 30 ASN H . 27362 1
54 . 1 1 32 32 ASN N N 15 120.2 0.2 . 1 . . . . . 30 ASN N . 27362 1
55 . 1 1 34 34 ASN H H 1 6.56 0.03 . 1 . . . . . 32 ASN H . 27362 1
56 . 1 1 34 34 ASN N N 15 113.5 0.2 . 1 . . . . . 32 ASN N . 27362 1
57 . 1 1 35 35 GLY H H 1 7.65 0.03 . 1 . . . . . 33 GLY H . 27362 1
58 . 1 1 35 35 GLY N N 15 107.4 0.2 . 1 . . . . . 33 GLY N . 27362 1
59 . 1 1 36 36 GLU H H 1 8.41 0.03 . 1 . . . . . 34 GLU H . 27362 1
60 . 1 1 36 36 GLU N N 15 121.8 0.2 . 1 . . . . . 34 GLU N . 27362 1
61 . 1 1 37 37 TRP H H 1 8.30 0.03 . 1 . . . . . 35 TRP H . 27362 1
62 . 1 1 37 37 TRP N N 15 118.8 0.2 . 1 . . . . . 35 TRP N . 27362 1
63 . 1 1 38 38 CYS H H 1 8.53 0.03 . 1 . . . . . 36 CYS H . 27362 1
64 . 1 1 38 38 CYS N N 15 123.8 0.2 . 1 . . . . . 36 CYS N . 27362 1
65 . 1 1 39 39 GLU H H 1 8.08 0.03 . 1 . . . . . 37 GLU H . 27362 1
66 . 1 1 39 39 GLU N N 15 128.0 0.2 . 1 . . . . . 37 GLU N . 27362 1
67 . 1 1 40 40 ALA H H 1 9.00 0.03 . 1 . . . . . 38 ALA H . 27362 1
68 . 1 1 40 40 ALA N N 15 130.7 0.2 . 1 . . . . . 38 ALA N . 27362 1
69 . 1 1 41 41 GLN H H 1 8.79 0.03 . 1 . . . . . 39 GLN H . 27362 1
70 . 1 1 41 41 GLN N N 15 117.1 0.2 . 1 . . . . . 39 GLN N . 27362 1
71 . 1 1 42 42 THR H H 1 9.09 0.03 . 1 . . . . . 40 THR H . 27362 1
72 . 1 1 42 42 THR N N 15 117.8 0.2 . 1 . . . . . 40 THR N . 27362 1
73 . 1 1 44 44 ASN H H 1 8.25 0.03 . 1 . . . . . 42 ASN H . 27362 1
74 . 1 1 44 44 ASN N N 15 114.0 0.2 . 1 . . . . . 42 ASN N . 27362 1
75 . 1 1 45 45 GLY H H 1 7.50 0.03 . 1 . . . . . 43 GLY H . 27362 1
76 . 1 1 45 45 GLY N N 15 108.2 0.2 . 1 . . . . . 43 GLY N . 27362 1
77 . 1 1 46 46 GLN H H 1 8.28 0.03 . 1 . . . . . 44 GLN H . 27362 1
78 . 1 1 46 46 GLN N N 15 119.6 0.2 . 1 . . . . . 44 GLN N . 27362 1
79 . 1 1 47 47 GLY H H 1 8.71 0.03 . 1 . . . . . 45 GLY H . 27362 1
80 . 1 1 47 47 GLY N N 15 112.2 0.2 . 1 . . . . . 45 GLY N . 27362 1
81 . 1 1 48 48 TRP H H 1 8.88 0.03 . 1 . . . . . 46 TRP H . 27362 1
82 . 1 1 48 48 TRP N N 15 121.1 0.2 . 1 . . . . . 46 TRP N . 27362 1
83 . 1 1 49 49 VAL H H 1 9.71 0.03 . 1 . . . . . 47 VAL H . 27362 1
84 . 1 1 49 49 VAL N N 15 116.3 0.2 . 1 . . . . . 47 VAL N . 27362 1
85 . 1 1 51 51 SER H H 1 8.30 0.03 . 1 . . . . . 49 SER H . 27362 1
86 . 1 1 51 51 SER N N 15 120.6 0.2 . 1 . . . . . 49 SER N . 27362 1
87 . 1 1 52 52 ASN H H 1 8.43 0.03 . 1 . . . . . 50 ASN H . 27362 1
88 . 1 1 52 52 ASN N N 15 114.1 0.2 . 1 . . . . . 50 ASN N . 27362 1
89 . 1 1 53 53 PTR H H 1 7.78 0.03 . 1 . . . . . 51 TYR H . 27362 1
90 . 1 1 53 53 PTR N N 15 118.4 0.2 . 1 . . . . . 51 TYR N . 27362 1
91 . 1 1 54 54 ILE H H 1 7.45 0.03 . 1 . . . . . 52 ILE H . 27362 1
92 . 1 1 54 54 ILE N N 15 112.3 0.2 . 1 . . . . . 52 ILE N . 27362 1
93 . 1 1 55 55 THR H H 1 8.75 0.03 . 1 . . . . . 53 THR H . 27362 1
94 . 1 1 55 55 THR N N 15 116.0 0.2 . 1 . . . . . 53 THR N . 27362 1
95 . 1 1 57 57 VAL H H 1 8.02 0.03 . 1 . . . . . 55 VAL H . 27362 1
96 . 1 1 57 57 VAL N N 15 120.9 0.2 . 1 . . . . . 55 VAL N . 27362 1
97 . 1 1 58 58 ASN H H 1 7.90 0.03 . 1 . . . . . 56 ASN H . 27362 1
98 . 1 1 58 58 ASN N N 15 127.6 0.2 . 1 . . . . . 56 ASN N . 27362 1
stop_
save_