###################################
# 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 11515
_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 '3D CBCA(CO)NH' . . . 11515 1
2 '3D HNCACB' . . . 11515 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 GLU H H 1 8.626 . . 1 . . . . 1 GLU H . 11515 1
2 . 1 1 1 1 GLU N N 15 123.521 . . 1 . . . . 1 GLU N . 11515 1
3 . 1 1 2 2 GLN H H 1 8.412 . . 1 . . . . 2 GLN H . 11515 1
4 . 1 1 2 2 GLN N N 15 122.396 . . 1 . . . . 2 GLN N . 11515 1
5 . 1 1 3 3 LEU H H 1 8.195 . . 1 . . . . 3 LEU H . 11515 1
6 . 1 1 3 3 LEU N N 15 123.698 . . 1 . . . . 3 LEU N . 11515 1
7 . 1 1 4 4 THR H H 1 7.999 . . 1 . . . . 4 THR H . 11515 1
8 . 1 1 4 4 THR N N 15 114.366 . . 1 . . . . 4 THR N . 11515 1
9 . 1 1 15 15 LEU H H 1 8.150 . . 1 . . . . 15 LEU H . 11515 1
10 . 1 1 15 15 LEU N N 15 122.813 . . 1 . . . . 15 LEU N . 11515 1
11 . 1 1 16 16 LYS H H 1 8.091 . . 1 . . . . 16 LYS H . 11515 1
12 . 1 1 16 16 LYS N N 15 121.168 . . 1 . . . . 16 LYS N . 11515 1
13 . 1 1 17 17 ASP H H 1 8.201 . . 1 . . . . 17 ASP H . 11515 1
14 . 1 1 17 17 ASP N N 15 119.318 . . 1 . . . . 17 ASP N . 11515 1
15 . 1 1 18 18 TYR H H 1 7.735 . . 1 . . . . 18 TYR H . 11515 1
16 . 1 1 18 18 TYR N N 15 118.598 . . 1 . . . . 18 TYR N . 11515 1
17 . 1 1 19 19 GLY H H 1 8.166 . . 1 . . . . 19 GLY H . 11515 1
18 . 1 1 19 19 GLY N N 15 109.995 . . 1 . . . . 19 GLY N . 11515 1
19 . 1 1 20 20 GLY H H 1 7.824 . . 1 . . . . 20 GLY H . 11515 1
20 . 1 1 20 20 GLY N N 15 107.657 . . 1 . . . . 20 GLY N . 11515 1
21 . 1 1 21 21 VAL H H 1 7.651 . . 1 . . . . 21 VAL H . 11515 1
22 . 1 1 21 21 VAL N N 15 118.016 . . 1 . . . . 21 VAL N . 11515 1
23 . 1 1 31 31 PHE H H 1 8.183 . . 1 . . . . 31 PHE H . 11515 1
24 . 1 1 31 31 PHE N N 15 121.991 . . 1 . . . . 31 PHE N . 11515 1
25 . 1 1 34 34 SER H H 1 8.105 . . 1 . . . . 34 SER H . 11515 1
26 . 1 1 34 34 SER N N 15 117.536 . . 1 . . . . 34 SER N . 11515 1
27 . 1 1 35 35 GLY H H 1 8.047 . . 1 . . . . 35 GLY H . 11515 1
28 . 1 1 35 35 GLY N N 15 109.269 . . 1 . . . . 35 GLY N . 11515 1
29 . 1 1 36 36 TYR H H 1 7.721 . . 1 . . . . 36 TYR H . 11515 1
30 . 1 1 36 36 TYR N N 15 120.928 . . 1 . . . . 36 TYR N . 11515 1
31 . 1 1 37 37 ASP H H 1 8.178 . . 1 . . . . 37 ASP H . 11515 1
32 . 1 1 37 37 ASP N N 15 120.089 . . 1 . . . . 37 ASP N . 11515 1
33 . 1 1 38 38 THR H H 1 7.897 . . 1 . . . . 38 THR H . 11515 1
34 . 1 1 38 38 THR N N 15 113.921 . . 1 . . . . 38 THR N . 11515 1
35 . 1 1 39 39 GLN H H 1 7.843 . . 1 . . . . 39 GLN H . 11515 1
36 . 1 1 39 39 GLN N N 15 122.196 . . 1 . . . . 39 GLN N . 11515 1
37 . 1 1 40 40 ALA H H 1 7.792 . . 1 . . . . 40 ALA H . 11515 1
38 . 1 1 40 40 ALA N N 15 124.372 . . 1 . . . . 40 ALA N . 11515 1
39 . 1 1 41 41 ILE H H 1 7.739 . . 1 . . . . 41 ILE H . 11515 1
40 . 1 1 41 41 ILE N N 15 121.271 . . 1 . . . . 41 ILE N . 11515 1
41 . 1 1 42 42 VAL H H 1 7.916 . . 1 . . . . 42 VAL H . 11515 1
42 . 1 1 42 42 VAL N N 15 123.464 . . 1 . . . . 42 VAL N . 11515 1
43 . 1 1 43 43 GLN H H 1 8.265 . . 1 . . . . 43 GLN H . 11515 1
44 . 1 1 43 43 GLN N N 15 122.333 . . 1 . . . . 43 GLN N . 11515 1
45 . 1 1 45 45 ASN H H 1 8.270 . . 1 . . . . 45 ASN H . 11515 1
46 . 1 1 45 45 ASN N N 15 119.078 . . 1 . . . . 45 ASN N . 11515 1
47 . 1 1 46 46 ASP H H 1 8.276 . . 1 . . . . 46 ASP H . 11515 1
48 . 1 1 46 46 ASP N N 15 118.872 . . 1 . . . . 46 ASP N . 11515 1
49 . 1 1 47 47 SER H H 1 8.116 . . 1 . . . . 47 SER H . 11515 1
50 . 1 1 47 47 SER N N 15 115.583 . . 1 . . . . 47 SER N . 11515 1
51 . 1 1 48 48 THR H H 1 7.965 . . 1 . . . . 48 THR H . 11515 1
52 . 1 1 48 48 THR N N 15 115.000 . . 1 . . . . 48 THR N . 11515 1
53 . 1 1 50 50 TYR H H 1 7.735 . . 1 . . . . 50 TYR H . 11515 1
54 . 1 1 50 50 TYR N N 15 118.598 . . 1 . . . . 50 TYR N . 11515 1
55 . 1 1 51 51 GLY H H 1 8.034 . . 1 . . . . 51 GLY H . 11515 1
56 . 1 1 51 51 GLY N N 15 108.678 . . 1 . . . . 51 GLY N . 11515 1
57 . 1 1 53 53 PHE H H 1 8.029 . . 1 . . . . 53 PHE H . 11515 1
58 . 1 1 53 53 PHE N N 15 119.592 . . 1 . . . . 53 PHE N . 11515 1
59 . 1 1 54 54 GLN H H 1 7.991 . . 1 . . . . 54 GLN H . 11515 1
60 . 1 1 54 54 GLN N N 15 120.209 . . 1 . . . . 54 GLN N . 11515 1
61 . 1 1 64 64 ASP H H 1 8.241 . . 1 . . . . 64 ASP H . 11515 1
62 . 1 1 64 64 ASP N N 15 118.684 . . 1 . . . . 64 ASP N . 11515 1
63 . 1 1 65 65 GLN H H 1 7.850 . . 1 . . . . 65 GLN H . 11515 1
64 . 1 1 65 65 GLN N N 15 119.626 . . 1 . . . . 65 GLN N . 11515 1
65 . 1 1 68 68 HIS H H 1 8.338 . . 1 . . . . 68 HIS H . 11515 1
66 . 1 1 68 68 HIS N N 15 115.826 . . 1 . . . . 68 HIS N . 11515 1
67 . 1 1 69 69 SER H H 1 7.772 . . 1 . . . . 69 SER H . 11515 1
68 . 1 1 69 69 SER N N 15 115.035 . . 1 . . . . 69 SER N . 11515 1
69 . 1 1 70 70 ARG H H 1 8.133 . . 1 . . . . 70 ARG H . 11515 1
70 . 1 1 70 70 ARG N N 15 117.211 . . 1 . . . . 70 ARG N . 11515 1
71 . 1 1 76 76 SER H H 1 8.050 . . 1 . . . . 76 SER H . 11515 1
72 . 1 1 76 76 SER N N 15 117.879 . . 1 . . . . 76 SER N . 11515 1
73 . 1 1 83 83 ASP H H 1 7.920 . . 1 . . . . 83 ASP H . 11515 1
74 . 1 1 83 83 ASP N N 15 117.330 . . 1 . . . . 83 ASP N . 11515 1
75 . 1 1 84 84 ASP H H 1 7.920 . . 1 . . . . 84 ASP H . 11515 1
76 . 1 1 84 84 ASP N N 15 117.330 . . 1 . . . . 84 ASP N . 11515 1
77 . 1 1 100 100 GLY H H 1 8.004 . . 1 . . . . 100 GLY H . 11515 1
78 . 1 1 100 100 GLY N N 15 109.672 . . 1 . . . . 100 GLY N . 11515 1
79 . 1 1 123 123 LEU H H 1 7.892 . . 1 . . . . 123 LEU H . 11515 1
80 . 1 1 123 123 LEU N N 15 124.561 . . 1 . . . . 123 LEU N . 11515 1
stop_
save_