###################################
# 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 27980
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 0.2
_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 13C-13C correlation MAS' . . . 27980 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 2 2 ALA C C 13 175.91 0.2 . . . . . . . 2 A C . 27980 1
2 . 1 . 1 2 2 ALA CA C 13 52.81 0.2 . . . . . . . 2 A CA . 27980 1
3 . 1 . 1 2 2 ALA CB C 13 19.81 0.2 . . . . . . . 2 A CB . 27980 1
4 . 1 . 1 4 4 PHE CA C 13 58.21 0.2 . . . . . . . 4 F CA . 27980 1
5 . 1 . 1 4 4 PHE CB C 13 41.61 0.2 . . . . . . . 4 F CB . 27980 1
6 . 1 . 1 9 9 GLY C C 13 173.11 0.2 . . . . . . . 9 G C . 27980 1
7 . 1 . 1 9 9 GLY CA C 13 45.81 0.2 . . . . . . . 9 G CA . 27980 1
8 . 1 . 1 12 12 VAL C C 13 175.91 0.2 . . . . . . . 12 V C . 27980 1
9 . 1 . 1 12 12 VAL CA C 13 62.71 0.2 . . . . . . . 12 V CA . 27980 1
10 . 1 . 1 12 12 VAL CB C 13 33.01 0.2 . . . . . . . 12 V CB . 27980 1
11 . 1 . 1 13 13 HIS C C 13 173.61 0.2 . . . . . . . 13 H C . 27980 1
12 . 1 . 1 13 13 HIS CA C 13 54.51 0.2 . . . . . . . 13 H CA . 27980 1
13 . 1 . 1 13 13 HIS CB C 13 32.41 0.2 . . . . . . . 13 H CB . 27980 1
14 . 1 . 1 14 14 HIS C C 13 174.71 0.2 . . . . . . . 14 H C . 27980 1
15 . 1 . 1 14 14 HIS CA C 13 54.91 0.2 . . . . . . . 14 H CA . 27980 1
16 . 1 . 1 14 14 HIS CB C 13 32.81 0.2 . . . . . . . 14 H CB . 27980 1
17 . 1 . 1 17 17 LEU C C 13 173.21 0.2 . . . . . . . 17 L C . 27980 1
18 . 1 . 1 17 17 LEU CA C 13 54.11 0.2 . . . . . . . 17 L CA . 27980 1
19 . 1 . 1 17 17 LEU CB C 13 45.31 0.2 . . . . . . . 17 L CB . 27980 1
20 . 1 . 1 18 18 VAL C C 13 174.11 0.2 . . . . . . . 18 V C . 27980 1
21 . 1 . 1 18 18 VAL CA C 13 60.71 0.2 . . . . . . . 18 V CA . 27980 1
22 . 1 . 1 18 18 VAL CB C 13 35.71 0.2 . . . . . . . 18 V CB . 27980 1
23 . 1 . 1 19 19 PHE C C 13 173.41 0.2 . . . . . . . 19 F C . 27980 1
24 . 1 . 1 19 19 PHE CA C 13 56.11 0.2 . . . . . . . 19 F CA . 27980 1
25 . 1 . 1 19 19 PHE CB C 13 43.31 0.2 . . . . . . . 19 F CB . 27980 1
26 . 1 . 1 20 20 PHE C C 13 173.51 0.2 . . . . . . . 20 F C . 27980 1
27 . 1 . 1 20 20 PHE CA C 13 56.71 0.2 . . . . . . . 20 F CA . 27980 1
28 . 1 . 1 20 20 PHE CB C 13 44.71 0.2 . . . . . . . 20 F CB . 27980 1
29 . 1 . 1 21 21 ALA C C 13 175.21 0.2 . . . . . . . 21 A C . 27980 1
30 . 1 . 1 21 21 ALA CA C 13 50.71 0.2 . . . . . . . 21 A CA . 27980 1
31 . 1 . 1 21 21 ALA CB C 13 23.41 0.2 . . . . . . . 21 A CB . 27980 1
32 . 1 . 1 23 23 ASP C C 13 176.51 0.2 . . . . . . . 23 D C . 27980 1
33 . 1 . 1 23 23 ASP CA C 13 53.11 0.2 . . . . . . . 23 D CA . 27980 1
34 . 1 . 1 23 23 ASP CB C 13 42.31 0.2 . . . . . . . 23 D CB . 27980 1
35 . 1 . 1 24 24 VAL C C 13 176.01 0.2 . . . . . . . 24 V C . 27980 1
36 . 1 . 1 24 24 VAL CA C 13 64.41 0.2 . . . . . . . 24 V CA . 27980 1
37 . 1 . 1 24 24 VAL CB C 13 32.31 0.2 . . . . . . . 24 V CB . 27980 1
38 . 1 . 1 25 25 GLY C C 13 173.01 0.2 . . . . . . . 25 G C . 27980 1
39 . 1 . 1 25 25 GLY CA C 13 45.91 0.2 . . . . . . . 25 G CA . 27980 1
40 . 1 . 1 26 26 SER C C 13 174.61 0.2 . . . . . . . 26 S C . 27980 1
41 . 1 . 1 26 26 SER CA C 13 57.41 0.2 . . . . . . . 26 S CA . 27980 1
42 . 1 . 1 26 26 SER CB C 13 63.91 0.2 . . . . . . . 26 S CB . 27980 1
43 . 1 . 1 29 29 GLY C C 13 173.21 0.2 . . . . . . . 29 G C . 27980 1
44 . 1 . 1 29 29 GLY CA C 13 45.41 0.2 . . . . . . . 29 G CA . 27980 1
45 . 1 . 1 30 30 ALA C C 13 175.11 0.2 . . . . . . . 30 A C . 27980 1
46 . 1 . 1 30 30 ALA CA C 13 51.11 0.2 . . . . . . . 30 A CA . 27980 1
47 . 1 . 1 30 30 ALA CB C 13 23.01 0.2 . . . . . . . 30 A CB . 27980 1
48 . 1 . 1 31 31 ILE C C 13 174.51 0.2 . . . . . . . 31 I C . 27980 1
49 . 1 . 1 31 31 ILE CA C 13 60.41 0.2 . . . . . . . 31 I CA . 27980 1
50 . 1 . 1 31 31 ILE CB C 13 41.61 0.2 . . . . . . . 31 I CB . 27980 1
51 . 1 . 1 32 32 ILE C C 13 174.21 0.2 . . . . . . . 32 I C . 27980 1
52 . 1 . 1 32 32 ILE CA C 13 59.91 0.2 . . . . . . . 32 I CA . 27980 1
53 . 1 . 1 32 32 ILE CB C 13 41.91 0.2 . . . . . . . 32 I CB . 27980 1
54 . 1 . 1 33 33 GLY C C 13 171.11 0.2 . . . . . . . 33 G C . 27980 1
55 . 1 . 1 33 33 GLY CA C 13 44.61 0.2 . . . . . . . 33 G CA . 27980 1
56 . 1 . 1 34 34 LEU C C 13 174.41 0.2 . . . . . . . 34 L C . 27980 1
57 . 1 . 1 34 34 LEU CA C 13 53.71 0.2 . . . . . . . 34 L CA . 27980 1
58 . 1 . 1 34 34 LEU CB C 13 46.31 0.2 . . . . . . . 34 L CB . 27980 1
59 . 1 . 1 36 36 VAL C C 13 174.31 0.2 . . . . . . . 36 V C . 27980 1
60 . 1 . 1 36 36 VAL CA C 13 60.11 0.2 . . . . . . . 36 V CA . 27980 1
61 . 1 . 1 36 36 VAL CB C 13 35.81 0.2 . . . . . . . 36 V CB . 27980 1
62 . 1 . 1 37 37 GLY C C 13 171.51 0.2 . . . . . . . 37 G C . 27980 1
63 . 1 . 1 37 37 GLY CA C 13 45.41 0.2 . . . . . . . 37 G CA . 27980 1
64 . 1 . 1 38 38 GLY C C 13 171.31 0.2 . . . . . . . 38 G C . 27980 1
65 . 1 . 1 38 38 GLY CA C 13 46.01 0.2 . . . . . . . 38 G CA . 27980 1
66 . 1 . 1 39 39 VAL C C 13 174.01 0.2 . . . . . . . 39 V C . 27980 1
67 . 1 . 1 39 39 VAL CA C 13 59.81 0.2 . . . . . . . 39 V CA . 27980 1
68 . 1 . 1 39 39 VAL CB C 13 36.51 0.2 . . . . . . . 39 V CB . 27980 1
69 . 1 . 1 40 40 VAL C C 13 174.41 0.2 . . . . . . . 40 V C . 27980 1
70 . 1 . 1 40 40 VAL CA C 13 61.01 0.2 . . . . . . . 40 V CA . 27980 1
71 . 1 . 1 40 40 VAL CB C 13 35.31 0.2 . . . . . . . 40 V CB . 27980 1
72 . 1 . 1 41 41 ILE C C 13 174.21 0.2 . . . . . . . 41 I C . 27980 1
73 . 1 . 1 41 41 ILE CA C 13 61.21 0.2 . . . . . . . 41 I CA . 27980 1
74 . 1 . 1 41 41 ILE CB C 13 40.81 0.2 . . . . . . . 41 I CB . 27980 1
stop_
save_