###################################
# 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 27717
_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' . . . 27717 1
2 '3D HNCO' . . . 27717 1
3 '3D HCACO' . . . 27717 1
4 '3D HN(CO)CA' . . . 27717 1
5 '3D HN(CO)CACB' . . . 27717 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 5 5 ALA H H 1 8.356 0.000 . 1 . . . . . 3 Ala H . 27717 1
2 . 1 1 5 5 ALA N N 15 111.961 0.000 . 1 . . . . . 3 Ala N . 27717 1
3 . 1 1 6 6 SER H H 1 8.537 0.000 . 1 . . . . . 4 Ser H . 27717 1
4 . 1 1 6 6 SER C C 13 175.461 0.000 . 1 . . . . . 4 Ser C . 27717 1
5 . 1 1 6 6 SER CA C 13 59.081 0.000 . 1 . . . . . 4 Ser CA . 27717 1
6 . 1 1 6 6 SER CB C 13 63.294 0.000 . 1 . . . . . 4 Ser CB . 27717 1
7 . 1 1 6 6 SER N N 15 115.229 0.000 . 1 . . . . . 4 Ser N . 27717 1
8 . 1 1 7 7 LEU H H 1 8.306 0.000 . 1 . . . . . 5 Leu H . 27717 1
9 . 1 1 7 7 LEU C C 13 178.400 0.000 . 1 . . . . . 5 Leu C . 27717 1
10 . 1 1 7 7 LEU CA C 13 56.702 0.000 . 1 . . . . . 5 Leu CA . 27717 1
11 . 1 1 7 7 LEU CB C 13 41.775 0.000 . 1 . . . . . 5 Leu CB . 27717 1
12 . 1 1 7 7 LEU N N 15 112.676 0.000 . 1 . . . . . 5 Leu N . 27717 1
13 . 1 1 8 8 LEU H H 1 8.051 0.000 . 1 . . . . . 6 Leu H . 27717 1
14 . 1 1 8 8 LEU C C 13 178.563 0.000 . 1 . . . . . 6 Leu C . 27717 1
15 . 1 1 8 8 LEU CA C 13 56.804 0.000 . 1 . . . . . 6 Leu CA . 27717 1
16 . 1 1 8 8 LEU CB C 13 41.873 0.000 . 1 . . . . . 6 Leu CB . 27717 1
17 . 1 1 8 8 LEU N N 15 120.833 0.000 . 1 . . . . . 6 Leu N . 27717 1
18 . 1 1 9 9 LEU H H 1 7.938 0.000 . 1 . . . . . 7 Leu H . 27717 1
19 . 1 1 9 9 LEU C C 13 178.755 0.000 . 1 . . . . . 7 Leu C . 27717 1
20 . 1 1 9 9 LEU CA C 13 56.867 0.000 . 1 . . . . . 7 Leu CA . 27717 1
21 . 1 1 9 9 LEU CB C 13 41.691 0.000 . 1 . . . . . 7 Leu CB . 27717 1
22 . 1 1 9 9 LEU N N 15 121.088 0.000 . 1 . . . . . 7 Leu N . 27717 1
23 . 1 1 10 10 LEU H H 1 8.035 0.000 . 1 . . . . . 8 Leu H . 27717 1
24 . 1 1 10 10 LEU C C 13 179.065 0.000 . 1 . . . . . 8 Leu C . 27717 1
25 . 1 1 10 10 LEU CA C 13 57.100 0.000 . 1 . . . . . 8 Leu CA . 27717 1
26 . 1 1 10 10 LEU CB C 13 41.798 0.000 . 1 . . . . . 8 Leu CB . 27717 1
27 . 1 1 10 10 LEU N N 15 121.008 0.000 . 1 . . . . . 8 Leu N . 27717 1
28 . 1 1 11 11 GLN H H 1 8.304 0.000 . 1 . . . . . 9 Gln H . 27717 1
29 . 1 1 11 11 GLN HE21 H 1 7.608 0.000 . 1 . . . . . 9 Gln HE21 . 27717 1
30 . 1 1 11 11 GLN C C 13 178.158 0.000 . 1 . . . . . 9 Gln C . 27717 1
31 . 1 1 11 11 GLN CA C 13 58.102 0.000 . 1 . . . . . 9 Gln CA . 27717 1
32 . 1 1 11 11 GLN CB C 13 28.609 0.000 . 1 . . . . . 9 Gln CB . 27717 1
33 . 1 1 11 11 GLN N N 15 119.514 0.000 . 1 . . . . . 9 Gln N . 27717 1
34 . 1 1 11 11 GLN NE2 N 15 111.751 0.000 . 1 . . . . . 9 Gln NE2 . 27717 1
35 . 1 1 12 12 GLN H H 1 8.348 0.000 . 1 . . . . . 10 Gln H . 27717 1
36 . 1 1 12 12 GLN HE21 H 1 7.611 0.000 . 1 . . . . . 10 Gln HE21 . 27717 1
37 . 1 1 12 12 GLN C C 13 178.090 0.000 . 1 . . . . . 10 Gln C . 27717 1
38 . 1 1 12 12 GLN CA C 13 58.026 0.000 . 1 . . . . . 10 Gln CA . 27717 1
39 . 1 1 12 12 GLN CB C 13 28.620 0.000 . 1 . . . . . 10 Gln CB . 27717 1
40 . 1 1 12 12 GLN N N 15 120.381 0.000 . 1 . . . . . 10 Gln N . 27717 1
41 . 1 1 12 12 GLN NE2 N 15 111.764 0.000 . 1 . . . . . 10 Gln NE2 . 27717 1
42 . 1 1 13 13 GLN H H 1 8.446 0.000 . 1 . . . . . 11 Gln H . 27717 1
43 . 1 1 13 13 GLN C C 13 178.055 0.000 . 1 . . . . . 11 Gln C . 27717 1
44 . 1 1 13 13 GLN CA C 13 57.966 0.000 . 1 . . . . . 11 Gln CA . 27717 1
45 . 1 1 13 13 GLN CB C 13 28.546 0.000 . 1 . . . . . 11 Gln CB . 27717 1
46 . 1 1 13 13 GLN N N 15 120.409 0.000 . 1 . . . . . 11 Gln N . 27717 1
47 . 1 1 14 14 GLN H H 1 8.410 0.000 . 1 . . . . . 12 Gln H . 27717 1
48 . 1 1 14 14 GLN C C 13 177.866 0.000 . 1 . . . . . 12 Gln C . 27717 1
49 . 1 1 14 14 GLN CA C 13 57.895 0.000 . 1 . . . . . 12 Gln CA . 27717 1
50 . 1 1 14 14 GLN CB C 13 28.550 0.000 . 1 . . . . . 12 Gln CB . 27717 1
51 . 1 1 14 14 GLN N N 15 120.331 0.000 . 1 . . . . . 12 Gln N . 27717 1
52 . 1 1 15 15 GLN H H 1 8.327 0.000 . 1 . . . . . 13 Gln H . 27717 1
53 . 1 1 15 15 GLN C C 13 177.712 0.000 . 1 . . . . . 13 Gln C . 27717 1
54 . 1 1 15 15 GLN CA C 13 57.805 0.000 . 1 . . . . . 13 Gln CA . 27717 1
55 . 1 1 15 15 GLN CB C 13 28.565 0.000 . 1 . . . . . 13 Gln CB . 27717 1
56 . 1 1 15 15 GLN N N 15 120.391 0.000 . 1 . . . . . 13 Gln N . 27717 1
57 . 1 1 16 16 GLN H H 1 8.325 0.000 . 1 . . . . . 14 Gln H . 27717 1
58 . 1 1 16 16 GLN C C 13 177.669 0.000 . 1 . . . . . 14 Gln C . 27717 1
59 . 1 1 16 16 GLN CA C 13 57.743 0.000 . 1 . . . . . 14 Gln CA . 27717 1
60 . 1 1 16 16 GLN CB C 13 28.591 0.000 . 1 . . . . . 14 Gln CB . 27717 1
61 . 1 1 16 16 GLN N N 15 120.324 0.000 . 1 . . . . . 14 Gln N . 27717 1
62 . 1 1 17 17 GLN H H 1 8.330 0.000 . 1 . . . . . 15 Gln H . 27717 1
63 . 1 1 17 17 GLN C C 13 177.610 0.000 . 1 . . . . . 15 Gln C . 27717 1
64 . 1 1 17 17 GLN CA C 13 57.638 0.000 . 1 . . . . . 15 Gln CA . 27717 1
65 . 1 1 17 17 GLN CB C 13 28.693 0.000 . 1 . . . . . 15 Gln CB . 27717 1
66 . 1 1 17 17 GLN N N 15 120.393 0.000 . 1 . . . . . 15 Gln N . 27717 1
67 . 1 1 18 18 GLN H H 1 8.343 0.000 . 1 . . . . . 16 Gln H . 27717 1
68 . 1 1 18 18 GLN C C 13 177.559 0.000 . 1 . . . . . 16 Gln C . 27717 1
69 . 1 1 18 18 GLN CA C 13 57.540 0.000 . 1 . . . . . 16 Gln CA . 27717 1
70 . 1 1 18 18 GLN CB C 13 28.740 0.000 . 1 . . . . . 16 Gln CB . 27717 1
71 . 1 1 18 18 GLN N N 15 120.428 0.000 . 1 . . . . . 16 Gln N . 27717 1
72 . 1 1 19 19 GLN H H 1 8.355 0.000 . 1 . . . . . 17 Gln H . 27717 1
73 . 1 1 19 19 GLN C C 13 177.511 0.000 . 1 . . . . . 17 Gln C . 27717 1
74 . 1 1 19 19 GLN CA C 13 57.479 0.000 . 1 . . . . . 17 Gln CA . 27717 1
75 . 1 1 19 19 GLN CB C 13 28.751 0.000 . 1 . . . . . 17 Gln CB . 27717 1
76 . 1 1 19 19 GLN N N 15 120.428 0.000 . 1 . . . . . 17 Gln N . 27717 1
77 . 1 1 20 20 GLN H H 1 8.361 0.000 . 1 . . . . . 18 Gln H . 27717 1
78 . 1 1 20 20 GLN C C 13 177.365 0.000 . 1 . . . . . 18 Gln C . 27717 1
79 . 1 1 20 20 GLN CA C 13 57.340 0.000 . 1 . . . . . 18 Gln CA . 27717 1
80 . 1 1 20 20 GLN CB C 13 28.813 0.000 . 1 . . . . . 18 Gln CB . 27717 1
81 . 1 1 20 20 GLN N N 15 120.488 0.000 . 1 . . . . . 18 Gln N . 27717 1
82 . 1 1 21 21 GLN H H 1 8.373 0.000 . 1 . . . . . 19 Gln H . 27717 1
83 . 1 1 21 21 GLN C C 13 177.332 0.000 . 1 . . . . . 19 Gln C . 27717 1
84 . 1 1 21 21 GLN CA C 13 57.230 0.000 . 1 . . . . . 19 Gln CA . 27717 1
85 . 1 1 21 21 GLN CB C 13 28.843 0.000 . 1 . . . . . 19 Gln CB . 27717 1
86 . 1 1 21 21 GLN N N 15 120.537 0.000 . 1 . . . . . 19 Gln N . 27717 1
87 . 1 1 22 22 GLN H H 1 8.376 0.000 . 1 . . . . . 20 Gln H . 27717 1
88 . 1 1 22 22 GLN C C 13 177.252 0.000 . 1 . . . . . 20 Gln C . 27717 1
89 . 1 1 22 22 GLN CA C 13 57.157 0.000 . 1 . . . . . 20 Gln CA . 27717 1
90 . 1 1 22 22 GLN CB C 13 28.933 0.000 . 1 . . . . . 20 Gln CB . 27717 1
91 . 1 1 22 22 GLN N N 15 120.564 0.000 . 1 . . . . . 20 Gln N . 27717 1
92 . 1 1 23 23 GLN H H 1 8.383 0.000 . 1 . . . . . 21 Gln H . 27717 1
93 . 1 1 23 23 GLN C C 13 177.151 0.000 . 1 . . . . . 21 Gln C . 27717 1
94 . 1 1 23 23 GLN CA C 13 57.011 0.000 . 1 . . . . . 21 Gln CA . 27717 1
95 . 1 1 23 23 GLN CB C 13 28.842 0.000 . 1 . . . . . 21 Gln CB . 27717 1
96 . 1 1 23 23 GLN N N 15 120.610 0.000 . 1 . . . . . 21 Gln N . 27717 1
97 . 1 1 24 24 GLN H H 1 8.391 0.000 . 1 . . . . . 22 Gln H . 27717 1
98 . 1 1 24 24 GLN C C 13 177.041 0.000 . 1 . . . . . 22 Gln C . 27717 1
99 . 1 1 24 24 GLN CA C 13 56.960 0.000 . 1 . . . . . 22 Gln CA . 27717 1
100 . 1 1 24 24 GLN CB C 13 28.957 0.000 . 1 . . . . . 22 Gln CB . 27717 1
101 . 1 1 24 24 GLN N N 15 120.610 0.000 . 1 . . . . . 22 Gln N . 27717 1
102 . 1 1 25 25 GLN H H 1 8.398 0.000 . 1 . . . . . 23 Gln H . 27717 1
103 . 1 1 25 25 GLN C C 13 176.907 0.000 . 1 . . . . . 23 Gln C . 27717 1
104 . 1 1 25 25 GLN CA C 13 56.807 0.000 . 1 . . . . . 23 Gln CA . 27717 1
105 . 1 1 25 25 GLN CB C 13 28.981 0.000 . 1 . . . . . 23 Gln CB . 27717 1
106 . 1 1 25 25 GLN N N 15 120.669 0.000 . 1 . . . . . 23 Gln N . 27717 1
107 . 1 1 26 26 GLN H H 1 8.411 0.000 . 1 . . . . . 24 Gln H . 27717 1
108 . 1 1 26 26 GLN C C 13 176.790 0.000 . 1 . . . . . 24 Gln C . 27717 1
109 . 1 1 26 26 GLN CA C 13 56.609 0.000 . 1 . . . . . 24 Gln CA . 27717 1
110 . 1 1 26 26 GLN CB C 13 28.980 0.000 . 1 . . . . . 24 Gln CB . 27717 1
111 . 1 1 26 26 GLN N N 15 120.766 0.000 . 1 . . . . . 24 Gln N . 27717 1
112 . 1 1 27 27 GLN H H 1 8.427 0.000 . 1 . . . . . 25 Gln H . 27717 1
113 . 1 1 27 27 GLN C C 13 176.630 0.000 . 1 . . . . . 25 Gln C . 27717 1
114 . 1 1 27 27 GLN CA C 13 56.412 0.000 . 1 . . . . . 25 Gln CA . 27717 1
115 . 1 1 27 27 GLN CB C 13 29.145 0.000 . 1 . . . . . 25 Gln CB . 27717 1
116 . 1 1 27 27 GLN N N 15 120.823 0.000 . 1 . . . . . 25 Gln N . 27717 1
117 . 1 1 28 28 GLN H H 1 8.438 0.000 . 1 . . . . . 26 Gln H . 27717 1
118 . 1 1 28 28 GLN C C 13 176.358 0.000 . 1 . . . . . 26 Gln C . 27717 1
119 . 1 1 28 28 GLN CA C 13 56.256 0.000 . 1 . . . . . 26 Gln CA . 27717 1
120 . 1 1 28 28 GLN CB C 13 29.222 0.000 . 1 . . . . . 26 Gln CB . 27717 1
121 . 1 1 28 28 GLN N N 15 120.954 0.000 . 1 . . . . . 26 Gln N . 27717 1
122 . 1 1 29 29 GLN H H 1 8.451 0.000 . 1 . . . . . 27 Gln H . 27717 1
123 . 1 1 29 29 GLN C C 13 176.072 0.000 . 1 . . . . . 27 Gln C . 27717 1
124 . 1 1 29 29 GLN CA C 13 55.963 0.000 . 1 . . . . . 27 Gln CA . 27717 1
125 . 1 1 29 29 GLN CB C 13 29.391 0.000 . 1 . . . . . 27 Gln CB . 27717 1
126 . 1 1 29 29 GLN N N 15 121.175 0.000 . 1 . . . . . 27 Gln N . 27717 1
127 . 1 1 30 30 GLN H H 1 8.479 0.000 . 1 . . . . . 28 Gln H . 27717 1
128 . 1 1 30 30 GLN C C 13 175.821 0.003 . 1 . . . . . 28 Gln C . 27717 1
129 . 1 1 30 30 GLN CA C 13 55.845 0.000 . 1 . . . . . 28 Gln CA . 27717 1
130 . 1 1 30 30 GLN CB C 13 29.411 0.000 . 1 . . . . . 28 Gln CB . 27717 1
131 . 1 1 30 30 GLN N N 15 121.859 0.000 . 1 . . . . . 28 Gln N . 27717 1
132 . 1 1 31 31 LYS H H 1 8.490 0.000 . 1 . . . . . 29 Lys H . 27717 1
133 . 1 1 31 31 LYS N N 15 112.188 0.000 . 1 . . . . . 29 Lys N . 27717 1
134 . 1 1 32 32 LYS H H 1 8.197 0.000 . 1 . . . . . 30 Lys H . 27717 1
135 . 1 1 32 32 LYS N N 15 117.097 0.000 . 1 . . . . . 30 Lys N . 27717 1
stop_
save_