###################################
# 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_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 338
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 338 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 3 3 ASP H H 1 8.49 . . 1 . . . . . . . . 338 1
2 . 1 1 3 3 ASP N N 15 123.6 . . 1 . . . . . . . . 338 1
3 . 1 1 4 4 PHE H H 1 7.57 . . 1 . . . . . . . . 338 1
4 . 1 1 4 4 PHE N N 15 115.9 . . 1 . . . . . . . . 338 1
5 . 1 1 5 5 CYS H H 1 7.37 . . 1 . . . . . . . . 338 1
6 . 1 1 5 5 CYS N N 15 120.9 . . 1 . . . . . . . . 338 1
7 . 1 1 6 6 LEU H H 1 7.5 . . 1 . . . . . . . . 338 1
8 . 1 1 6 6 LEU N N 15 114.2 . . 1 . . . . . . . . 338 1
9 . 1 1 7 7 GLU H H 1 7.5 . . 1 . . . . . . . . 338 1
10 . 1 1 7 7 GLU N N 15 120.8 . . 1 . . . . . . . . 338 1
11 . 1 1 10 10 TYR H H 1 7.64 . . 1 . . . . . . . . 338 1
12 . 1 1 10 10 TYR N N 15 123.1 . . 1 . . . . . . . . 338 1
13 . 1 1 11 11 THR H H 1 8.74 . . 1 . . . . . . . . 338 1
14 . 1 1 11 11 THR N N 15 127.3 . . 1 . . . . . . . . 338 1
15 . 1 1 12 12 GLY H H 1 7 . . 1 . . . . . . . . 338 1
16 . 1 1 12 12 GLY N N 15 107.1 . . 1 . . . . . . . . 338 1
17 . 1 1 14 14 CYS H H 1 8.54 . . 1 . . . . . . . . 338 1
18 . 1 1 14 14 CYS N N 15 117.9 . . 1 . . . . . . . . 338 1
19 . 1 1 15 15 LYS H H 1 7.83 . . 1 . . . . . . . . 338 1
20 . 1 1 15 15 LYS N N 15 115.5 . . 1 . . . . . . . . 338 1
21 . 1 1 16 16 ALA H H 1 8.17 . . 1 . . . . . . . . 338 1
22 . 1 1 16 16 ALA N N 15 123.7 . . 1 . . . . . . . . 338 1
23 . 1 1 17 17 ARG H H 1 7.95 . . 1 . . . . . . . . 338 1
24 . 1 1 17 17 ARG N N 15 118.3 . . 1 . . . . . . . . 338 1
25 . 1 1 18 18 ILE H H 1 8.04 . . 1 . . . . . . . . 338 1
26 . 1 1 18 18 ILE N N 15 125.3 . . 1 . . . . . . . . 338 1
27 . 1 1 19 19 ILE H H 1 8.46 . . 1 . . . . . . . . 338 1
28 . 1 1 19 19 ILE N N 15 128.4 . . 1 . . . . . . . . 338 1
29 . 1 1 20 20 ARG H H 1 8.33 . . 1 . . . . . . . . 338 1
30 . 1 1 20 20 ARG N N 15 129.8 . . 1 . . . . . . . . 338 1
31 . 1 1 21 21 TYR H H 1 9.1 . . 1 . . . . . . . . 338 1
32 . 1 1 21 21 TYR N N 15 115.9 . . 1 . . . . . . . . 338 1
33 . 1 1 22 22 PHE H H 1 9.74 . . 1 . . . . . . . . 338 1
34 . 1 1 22 22 PHE N N 15 120.2 . . 1 . . . . . . . . 338 1
35 . 1 1 23 23 TYR H H 1 10.46 . . 1 . . . . . . . . 338 1
36 . 1 1 23 23 TYR N N 15 125.1 . . 1 . . . . . . . . 338 1
37 . 1 1 24 24 ASN H H 1 7.78 . . 1 . . . . . . . . 338 1
38 . 1 1 24 24 ASN N N 15 125.8 . . 1 . . . . . . . . 338 1
39 . 1 1 25 25 ALA H H 1 8.59 . . 1 . . . . . . . . 338 1
40 . 1 1 25 25 ALA N N 15 126.8 . . 1 . . . . . . . . 338 1
41 . 1 1 26 26 LYS H H 1 7.82 . . 1 . . . . . . . . 338 1
42 . 1 1 26 26 LYS N N 15 116.7 . . 1 . . . . . . . . 338 1
43 . 1 1 27 27 ALA H H 1 6.77 . . 1 . . . . . . . . 338 1
44 . 1 1 27 27 ALA N N 15 118.5 . . 1 . . . . . . . . 338 1
45 . 1 1 28 28 GLY H H 1 8.07 . . 1 . . . . . . . . 338 1
46 . 1 1 28 28 GLY N N 15 106.9 . . 1 . . . . . . . . 338 1
47 . 1 1 29 29 LEU H H 1 6.76 . . 1 . . . . . . . . 338 1
48 . 1 1 29 29 LEU N N 15 114.6 . . 1 . . . . . . . . 338 1
49 . 1 1 30 30 CYS H H 1 8.23 . . 1 . . . . . . . . 338 1
50 . 1 1 30 30 CYS N N 15 118.8 . . 1 . . . . . . . . 338 1
51 . 1 1 31 31 GLN H H 1 8.74 . . 1 . . . . . . . . 338 1
52 . 1 1 31 31 GLN N N 15 123.2 . . 1 . . . . . . . . 338 1
53 . 1 1 32 32 THR H H 1 7.94 . . 1 . . . . . . . . 338 1
54 . 1 1 32 32 THR N N 15 108.9 . . 1 . . . . . . . . 338 1
55 . 1 1 33 33 PHE H H 1 9.32 . . 1 . . . . . . . . 338 1
56 . 1 1 33 33 PHE N N 15 119.4 . . 1 . . . . . . . . 338 1
57 . 1 1 34 34 VAL H H 1 8.17 . . 1 . . . . . . . . 338 1
58 . 1 1 34 34 VAL N N 15 118.9 . . 1 . . . . . . . . 338 1
59 . 1 1 35 35 TYR H H 1 9.26 . . 1 . . . . . . . . 338 1
60 . 1 1 35 35 TYR N N 15 129.9 . . 1 . . . . . . . . 338 1
61 . 1 1 36 36 GLY H H 1 8.49 . . 1 . . . . . . . . 338 1
62 . 1 1 36 36 GLY N N 15 114.1 . . 1 . . . . . . . . 338 1
63 . 1 1 38 38 CYS H H 1 7.74 . . 1 . . . . . . . . 338 1
64 . 1 1 38 38 CYS N N 15 115.2 . . 1 . . . . . . . . 338 1
65 . 1 1 39 39 ARG H H 1 8.92 . . 1 . . . . . . . . 338 1
66 . 1 1 39 39 ARG N N 15 113.5 . . 1 . . . . . . . . 338 1
67 . 1 1 40 40 ALA H H 1 7.3 . . 1 . . . . . . . . 338 1
68 . 1 1 40 40 ALA N N 15 118.3 . . 1 . . . . . . . . 338 1
69 . 1 1 41 41 LYS H H 1 8.22 . . 1 . . . . . . . . 338 1
70 . 1 1 41 41 LYS N N 15 121.2 . . 1 . . . . . . . . 338 1
71 . 1 1 42 42 ARG H H 1 8.15 . . 1 . . . . . . . . 338 1
72 . 1 1 42 42 ARG N N 15 115.8 . . 1 . . . . . . . . 338 1
73 . 1 1 43 43 ASN H H 1 7.22 . . 1 . . . . . . . . 338 1
74 . 1 1 43 43 ASN N N 15 116.4 . . 1 . . . . . . . . 338 1
75 . 1 1 44 44 ASN H H 1 6.73 . . 1 . . . . . . . . 338 1
76 . 1 1 44 44 ASN N N 15 121.3 . . 1 . . . . . . . . 338 1
77 . 1 1 45 45 PHE H H 1 9.85 . . 1 . . . . . . . . 338 1
78 . 1 1 45 45 PHE N N 15 122.6 . . 1 . . . . . . . . 338 1
79 . 1 1 46 46 LYS H H 1 9.71 . . 1 . . . . . . . . 338 1
80 . 1 1 46 46 LYS N N 15 120.5 . . 1 . . . . . . . . 338 1
81 . 1 1 47 47 SER H H 1 7.46 . . 1 . . . . . . . . 338 1
82 . 1 1 47 47 SER N N 15 103 . . 1 . . . . . . . . 338 1
83 . 1 1 48 48 ALA H H 1 8.03 . . 1 . . . . . . . . 338 1
84 . 1 1 48 48 ALA N N 15 125.6 . . 1 . . . . . . . . 338 1
85 . 1 1 49 49 GLU H H 1 8.48 . . 1 . . . . . . . . 338 1
86 . 1 1 49 49 GLU N N 15 119.8 . . 1 . . . . . . . . 338 1
87 . 1 1 50 50 ASP H H 1 7.72 . . 1 . . . . . . . . 338 1
88 . 1 1 50 50 ASP N N 15 120 . . 1 . . . . . . . . 338 1
89 . 1 1 51 51 CYS H H 1 6.95 . . 1 . . . . . . . . 338 1
90 . 1 1 51 51 CYS N N 15 119.8 . . 1 . . . . . . . . 338 1
91 . 1 1 52 52 MET H H 1 8.5 . . 1 . . . . . . . . 338 1
92 . 1 1 52 52 MET N N 15 121.3 . . 1 . . . . . . . . 338 1
93 . 1 1 53 53 ARG H H 1 8.25 . . 1 . . . . . . . . 338 1
94 . 1 1 53 53 ARG N N 15 120.5 . . 1 . . . . . . . . 338 1
95 . 1 1 54 54 THR H H 1 7.38 . . 1 . . . . . . . . 338 1
96 . 1 1 54 54 THR N N 15 113.5 . . 1 . . . . . . . . 338 1
97 . 1 1 55 55 CYS H H 1 8.09 . . 1 . . . . . . . . 338 1
98 . 1 1 55 55 CYS N N 15 114.8 . . 1 . . . . . . . . 338 1
99 . 1 1 56 56 GLY H H 1 7.82 . . 1 . . . . . . . . 338 1
100 . 1 1 56 56 GLY N N 15 107.8 . . 1 . . . . . . . . 338 1
101 . 1 1 57 57 GLY H H 1 7.98 . . 1 . . . . . . . . 338 1
102 . 1 1 57 57 GLY N N 15 108.8 . . 1 . . . . . . . . 338 1
103 . 1 1 58 58 ALA H H 1 7.72 . . 1 . . . . . . . . 338 1
104 . 1 1 58 58 ALA N N 15 129.5 . . 1 . . . . . . . . 338 1
stop_
save_