###################################
# 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 27913
_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 .
_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' . . . 27913 1
2 '3D HNCA' . . . 27913 1
3 '3D HN(CO)CA' . . . 27913 1
4 '3D HNCACB' . . . 27913 1
5 '3D CBCA(CO)NH' . . . 27913 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 3 3 MET H H 1 8.308 0.009 . 1 . . . . . 0 MET H . 27913 1
2 . 1 . 1 3 3 MET CA C 13 52.420 0.3 . 1 . . . . . 0 MET CA . 27913 1
3 . 1 . 1 3 3 MET CB C 13 29.771 0.3 . 1 . . . . . 0 MET CB . 27913 1
4 . 1 . 1 3 3 MET N N 15 122.373 0.2 . 1 . . . . . 0 MET N . 27913 1
5 . 1 . 1 4 4 GLU H H 1 8.324 0.009 . 1 . . . . . 1 GLU H . 27913 1
6 . 1 . 1 4 4 GLU CA C 13 53.560 0.3 . 1 . . . . . 1 GLU CA . 27913 1
7 . 1 . 1 4 4 GLU CB C 13 27.232 0.3 . 1 . . . . . 1 GLU CB . 27913 1
8 . 1 . 1 4 4 GLU N N 15 122.840 0.2 . 1 . . . . . 1 GLU N . 27913 1
9 . 1 . 1 5 5 LEU H H 1 8.149 0.009 . 1 . . . . . 2 LEU H . 27913 1
10 . 1 . 1 5 5 LEU CA C 13 52.130 0.3 . 1 . . . . . 2 LEU CA . 27913 1
11 . 1 . 1 5 5 LEU CB C 13 39.276 0.3 . 1 . . . . . 2 LEU CB . 27913 1
12 . 1 . 1 5 5 LEU N N 15 124.092 0.2 . 1 . . . . . 2 LEU N . 27913 1
13 . 1 . 1 6 6 LYS H H 1 8.122 0.009 . 1 . . . . . 3 LYS H . 27913 1
14 . 1 . 1 6 6 LYS CA C 13 53.204 0.3 . 1 . . . . . 3 LYS CA . 27913 1
15 . 1 . 1 6 6 LYS CB C 13 30.045 0.3 . 1 . . . . . 3 LYS CB . 27913 1
16 . 1 . 1 6 6 LYS N N 15 122.104 0.2 . 1 . . . . . 3 LYS N . 27913 1
17 . 1 . 1 7 7 HIS H H 1 8.251 0.009 . 1 . . . . . 4 HIS H . 27913 1
18 . 1 . 1 7 7 HIS CA C 13 53.076 0.3 . 1 . . . . . 4 HIS CA . 27913 1
19 . 1 . 1 7 7 HIS CB C 13 27.338 0.3 . 1 . . . . . 4 HIS CB . 27913 1
20 . 1 . 1 7 7 HIS N N 15 121.035 0.2 . 1 . . . . . 4 HIS N . 27913 1
21 . 1 . 1 8 8 VAL H H 1 7.943 0.009 . 1 . . . . . 5 VAL H . 27913 1
22 . 1 . 1 8 8 VAL CA C 13 59.179 0.3 . 1 . . . . . 5 VAL CA . 27913 1
23 . 1 . 1 8 8 VAL CB C 13 29.981 0.3 . 1 . . . . . 5 VAL CB . 27913 1
24 . 1 . 1 8 8 VAL N N 15 122.755 0.2 . 1 . . . . . 5 VAL N . 27913 1
25 . 1 . 1 9 9 ALA H H 1 8.323 0.009 . 1 . . . . . 6 ALA H . 27913 1
26 . 1 . 1 9 9 ALA CA C 13 49.662 0.3 . 1 . . . . . 6 ALA CA . 27913 1
27 . 1 . 1 9 9 ALA CB C 13 16.151 0.3 . 1 . . . . . 6 ALA CB . 27913 1
28 . 1 . 1 9 9 ALA N N 15 128.099 0.2 . 1 . . . . . 6 ALA N . 27913 1
29 . 1 . 1 10 10 THR H H 1 7.964 0.009 . 1 . . . . . 7 THR H . 27913 1
30 . 1 . 1 10 10 THR CA C 13 59.389 0.3 . 1 . . . . . 7 THR CA . 27913 1
31 . 1 . 1 10 10 THR CB C 13 66.836 0.3 . 1 . . . . . 7 THR CB . 27913 1
32 . 1 . 1 10 10 THR N N 15 113.834 0.2 . 1 . . . . . 7 THR N . 27913 1
33 . 1 . 1 11 11 GLU H H 1 8.258 0.009 . 1 . . . . . 8 GLU H . 27913 1
34 . 1 . 1 11 11 GLU CA C 13 53.687 0.3 . 1 . . . . . 8 GLU CA . 27913 1
35 . 1 . 1 11 11 GLU CB C 13 27.258 0.3 . 1 . . . . . 8 GLU CB . 27913 1
36 . 1 . 1 11 11 GLU N N 15 122.995 0.2 . 1 . . . . . 8 GLU N . 27913 1
37 . 1 . 1 12 12 TYR H H 1 8.088 0.009 . 1 . . . . . 9 TYR H . 27913 1
38 . 1 . 1 12 12 TYR CA C 13 55.321 0.3 . 1 . . . . . 9 TYR CA . 27913 1
39 . 1 . 1 12 12 TYR CB C 13 35.769 0.3 . 1 . . . . . 9 TYR CB . 27913 1
40 . 1 . 1 12 12 TYR N N 15 121.544 0.2 . 1 . . . . . 9 TYR N . 27913 1
41 . 1 . 1 13 13 GLN H H 1 7.964 0.009 . 1 . . . . . 10 GLN H . 27913 1
42 . 1 . 1 13 13 GLN CA C 13 52.490 0.3 . 1 . . . . . 10 GLN CA . 27913 1
43 . 1 . 1 13 13 GLN CB C 13 26.868 0.3 . 1 . . . . . 10 GLN CB . 27913 1
44 . 1 . 1 13 13 GLN N N 15 122.872 0.2 . 1 . . . . . 10 GLN N . 27913 1
45 . 1 . 1 14 14 GLU H H 1 8.262 0.009 . 1 . . . . . 11 GLU H . 27913 1
46 . 1 . 1 14 14 GLU CA C 13 53.802 0.3 . 1 . . . . . 11 GLU CA . 27913 1
47 . 1 . 1 14 14 GLU CB C 13 27.221 0.3 . 1 . . . . . 11 GLU CB . 27913 1
48 . 1 . 1 14 14 GLU N N 15 122.458 0.2 . 1 . . . . . 11 GLU N . 27913 1
49 . 1 . 1 15 15 ASN H H 1 8.340 0.009 . 1 . . . . . 12 ASN H . 27913 1
50 . 1 . 1 15 15 ASN CA C 13 50.430 0.3 . 1 . . . . . 12 ASN CA . 27913 1
51 . 1 . 1 15 15 ASN CB C 13 35.740 0.3 . 1 . . . . . 12 ASN CB . 27913 1
52 . 1 . 1 15 15 ASN N N 15 119.817 0.2 . 1 . . . . . 12 ASN N . 27913 1
53 . 1 . 1 16 16 LYS H H 1 8.083 0.009 . 1 . . . . . 13 LYS H . 27913 1
54 . 1 . 1 16 16 LYS CA C 13 52.921 0.3 . 1 . . . . . 13 LYS CA . 27913 1
55 . 1 . 1 16 16 LYS CB C 13 30.080 0.3 . 1 . . . . . 13 LYS CB . 27913 1
56 . 1 . 1 16 16 LYS N N 15 121.761 0.2 . 1 . . . . . 13 LYS N . 27913 1
57 . 1 . 1 17 17 ALA H H 1 8.104 0.009 . 1 . . . . . 14 ALA H . 27913 1
58 . 1 . 1 17 17 ALA CA C 13 47.623 0.3 . 1 . . . . . 14 ALA CA . 27913 1
59 . 1 . 1 17 17 ALA CB C 13 15.141 0.3 . 1 . . . . . 14 ALA CB . 27913 1
60 . 1 . 1 17 17 ALA N N 15 126.282 0.2 . 1 . . . . . 14 ALA N . 27913 1
61 . 1 . 1 19 19 GLY H H 1 8.300 0.009 . 1 . . . . . 16 GLY H . 27913 1
62 . 1 . 1 19 19 GLY CA C 13 42.088 0.3 . 1 . . . . . 16 GLY CA . 27913 1
63 . 1 . 1 19 19 GLY N N 15 108.951 0.2 . 1 . . . . . 16 GLY N . 27913 1
64 . 1 . 1 20 20 LYS H H 1 8.029 0.009 . 1 . . . . . 17 LYS H . 27913 1
65 . 1 . 1 20 20 LYS CA C 13 53.194 0.3 . 1 . . . . . 17 LYS CA . 27913 1
66 . 1 . 1 20 20 LYS CB C 13 30.189 0.3 . 1 . . . . . 17 LYS CB . 27913 1
67 . 1 . 1 20 20 LYS N N 15 120.898 0.2 . 1 . . . . . 17 LYS N . 27913 1
68 . 1 . 1 21 21 LYS H H 1 8.280 0.009 . 1 . . . . . 18 LYS H . 27913 1
69 . 1 . 1 21 21 LYS CA C 13 53.399 0.3 . 1 . . . . . 18 LYS CA . 27913 1
70 . 1 . 1 21 21 LYS CB C 13 30.298 0.3 . 1 . . . . . 18 LYS CB . 27913 1
71 . 1 . 1 21 21 LYS N N 15 123.530 0.2 . 1 . . . . . 18 LYS N . 27913 1
72 . 1 . 1 22 22 LYS H H 1 8.310 0.009 . 1 . . . . . 19 LYS H . 27913 1
73 . 1 . 1 22 22 LYS CA C 13 53.230 0.3 . 1 . . . . . 19 LYS CA . 27913 1
74 . 1 . 1 22 22 LYS CB C 13 30.266 0.3 . 1 . . . . . 19 LYS CB . 27913 1
75 . 1 . 1 22 22 LYS N N 15 123.670 0.2 . 1 . . . . . 19 LYS N . 27913 1
76 . 1 . 1 23 23 LYS H H 1 8.236 0.009 . 1 . . . . . 20 LYS H . 27913 1
77 . 1 . 1 23 23 LYS CA C 13 53.464 0.3 . 1 . . . . . 20 LYS CA . 27913 1
78 . 1 . 1 23 23 LYS CB C 13 30.100 0.3 . 1 . . . . . 20 LYS CB . 27913 1
79 . 1 . 1 23 23 LYS N N 15 122.935 0.2 . 1 . . . . . 20 LYS N . 27913 1
80 . 1 . 1 24 24 ARG H H 1 8.334 0.009 . 1 . . . . . 21 ARG H . 27913 1
81 . 1 . 1 24 24 ARG CA C 13 53.338 0.3 . 1 . . . . . 21 ARG CA . 27913 1
82 . 1 . 1 24 24 ARG CB C 13 27.985 0.3 . 1 . . . . . 21 ARG CB . 27913 1
83 . 1 . 1 24 24 ARG N N 15 123.444 0.2 . 1 . . . . . 21 ARG N . 27913 1
84 . 1 . 1 25 25 ALA H H 1 8.279 0.009 . 1 . . . . . 22 ALA H . 27913 1
85 . 1 . 1 25 25 ALA CA C 13 49.376 0.3 . 1 . . . . . 22 ALA CA . 27913 1
86 . 1 . 1 25 25 ALA CB C 13 16.229 0.3 . 1 . . . . . 22 ALA CB . 27913 1
87 . 1 . 1 25 25 ALA N N 15 126.089 0.2 . 1 . . . . . 22 ALA N . 27913 1
88 . 1 . 1 26 26 LEU H H 1 8.104 0.009 . 1 . . . . . 23 LEU H . 27913 1
89 . 1 . 1 26 26 LEU CA C 13 52.130 0.3 . 1 . . . . . 23 LEU CA . 27913 1
90 . 1 . 1 26 26 LEU CB C 13 39.443 0.3 . 1 . . . . . 23 LEU CB . 27913 1
91 . 1 . 1 26 26 LEU N N 15 121.851 0.2 . 1 . . . . . 23 LEU N . 27913 1
92 . 1 . 1 27 27 ALA H H 1 8.182 0.009 . 1 . . . . . 24 ALA H . 27913 1
93 . 1 . 1 27 27 ALA CA C 13 49.552 0.3 . 1 . . . . . 24 ALA CA . 27913 1
94 . 1 . 1 27 27 ALA CB C 13 16.168 0.3 . 1 . . . . . 24 ALA CB . 27913 1
95 . 1 . 1 27 27 ALA N N 15 124.822 0.2 . 1 . . . . . 24 ALA N . 27913 1
96 . 1 . 1 28 28 SER H H 1 8.094 0.009 . 1 . . . . . 25 SER H . 27913 1
97 . 1 . 1 28 28 SER CA C 13 55.465 0.3 . 1 . . . . . 25 SER CA . 27913 1
98 . 1 . 1 28 28 SER CB C 13 60.778 0.3 . 1 . . . . . 25 SER CB . 27913 1
99 . 1 . 1 28 28 SER N N 15 114.511 0.2 . 1 . . . . . 25 SER N . 27913 1
100 . 1 . 1 29 29 ASN H H 1 8.284 0.009 . 1 . . . . . 26 ASN H . 27913 1
101 . 1 . 1 29 29 ASN CA C 13 50.494 0.3 . 1 . . . . . 26 ASN CA . 27913 1
102 . 1 . 1 29 29 ASN CB C 13 35.724 0.3 . 1 . . . . . 26 ASN CB . 27913 1
103 . 1 . 1 29 29 ASN N N 15 120.441 0.2 . 1 . . . . . 26 ASN N . 27913 1
104 . 1 . 1 30 30 THR H H 1 7.927 0.009 . 1 . . . . . 27 THR H . 27913 1
105 . 1 . 1 30 30 THR CA C 13 59.171 0.3 . 1 . . . . . 27 THR CA . 27913 1
106 . 1 . 1 30 30 THR CB C 13 66.748 0.3 . 1 . . . . . 27 THR CB . 27913 1
107 . 1 . 1 30 30 THR N N 15 113.338 0.2 . 1 . . . . . 27 THR N . 27913 1
108 . 1 . 1 31 31 SER H H 1 8.071 0.009 . 1 . . . . . 28 SER H . 27913 1
109 . 1 . 1 31 31 SER CA C 13 55.789 0.3 . 1 . . . . . 28 SER CA . 27913 1
110 . 1 . 1 31 31 SER CB C 13 60.759 0.3 . 1 . . . . . 28 SER CB . 27913 1
111 . 1 . 1 31 31 SER N N 15 117.738 0.2 . 1 . . . . . 28 SER N . 27913 1
112 . 1 . 1 32 32 PHE H H 1 7.949 0.009 . 1 . . . . . 29 PHE H . 27913 1
113 . 1 . 1 32 32 PHE CA C 13 54.929 0.3 . 1 . . . . . 29 PHE CA . 27913 1
114 . 1 . 1 32 32 PHE CB C 13 36.573 0.3 . 1 . . . . . 29 PHE CB . 27913 1
115 . 1 . 1 32 32 PHE N N 15 121.742 0.2 . 1 . . . . . 29 PHE N . 27913 1
116 . 1 . 1 33 33 PHE H H 1 7.978 0.009 . 1 . . . . . 30 PHE H . 27913 1
117 . 1 . 1 33 33 PHE CA C 13 54.645 0.3 . 1 . . . . . 30 PHE CA . 27913 1
118 . 1 . 1 33 33 PHE CB C 13 36.809 0.3 . 1 . . . . . 30 PHE CB . 27913 1
119 . 1 . 1 33 33 PHE N N 15 121.761 0.2 . 1 . . . . . 30 PHE N . 27913 1
120 . 1 . 1 34 34 SER H H 1 8.234 0.009 . 1 . . . . . 31 SER H . 27913 1
121 . 1 . 1 34 34 SER CA C 13 55.771 0.3 . 1 . . . . . 31 SER CA . 27913 1
122 . 1 . 1 34 34 SER CB C 13 60.959 0.3 . 1 . . . . . 31 SER CB . 27913 1
123 . 1 . 1 34 34 SER N N 15 118.378 0.2 . 1 . . . . . 31 SER N . 27913 1
124 . 1 . 1 35 35 GLY H H 1 7.705 0.009 . 1 . . . . . 32 GLY H . 27913 1
125 . 1 . 1 35 35 GLY CA C 13 42.335 0.3 . 1 . . . . . 32 GLY CA . 27913 1
126 . 1 . 1 35 35 GLY N N 15 110.597 0.2 . 1 . . . . . 32 GLY N . 27913 1
127 . 1 . 1 36 36 LEU H H 1 7.867 0.009 . 1 . . . . . 33 LEU H . 27913 1
128 . 1 . 1 36 36 LEU CA C 13 51.812 0.3 . 1 . . . . . 33 LEU CA . 27913 1
129 . 1 . 1 36 36 LEU CB C 13 39.542 0.3 . 1 . . . . . 33 LEU CB . 27913 1
130 . 1 . 1 36 36 LEU N N 15 120.995 0.2 . 1 . . . . . 33 LEU N . 27913 1
131 . 1 . 1 37 37 GLU H H 1 8.198 0.009 . 1 . . . . . 34 GLU H . 27913 1
132 . 1 . 1 37 37 GLU CA C 13 51.618 0.3 . 1 . . . . . 34 GLU CA . 27913 1
133 . 1 . 1 37 37 GLU CB C 13 26.511 0.3 . 1 . . . . . 34 GLU CB . 27913 1
134 . 1 . 1 37 37 GLU N N 15 122.652 0.2 . 1 . . . . . 34 GLU N . 27913 1
135 . 1 . 1 39 39 ILE H H 1 8.085 0.009 . 1 . . . . . 36 ILE H . 27913 1
136 . 1 . 1 39 39 ILE CA C 13 57.977 0.3 . 1 . . . . . 36 ILE CA . 27913 1
137 . 1 . 1 39 39 ILE CB C 13 35.863 0.3 . 1 . . . . . 36 ILE CB . 27913 1
138 . 1 . 1 39 39 ILE N N 15 121.308 0.2 . 1 . . . . . 36 ILE N . 27913 1
139 . 1 . 1 40 40 GLU H H 1 8.307 0.009 . 1 . . . . . 37 GLU H . 27913 1
140 . 1 . 1 40 40 GLU CA C 13 53.207 0.3 . 1 . . . . . 37 GLU CA . 27913 1
141 . 1 . 1 40 40 GLU CB C 13 27.588 0.3 . 1 . . . . . 37 GLU CB . 27913 1
142 . 1 . 1 40 40 GLU N N 15 125.300 0.2 . 1 . . . . . 37 GLU N . 27913 1
143 . 1 . 1 41 41 GLU H H 1 8.294 0.009 . 1 . . . . . 38 GLU H . 27913 1
144 . 1 . 1 41 41 GLU CA C 13 53.176 0.3 . 1 . . . . . 38 GLU CA . 27913 1
145 . 1 . 1 41 41 GLU CB C 13 27.772 0.3 . 1 . . . . . 38 GLU CB . 27913 1
146 . 1 . 1 41 41 GLU N N 15 122.667 0.2 . 1 . . . . . 38 GLU N . 27913 1
147 . 1 . 1 42 42 GLU H H 1 8.406 0.009 . 1 . . . . . 39 GLU H . 27913 1
148 . 1 . 1 42 42 GLU CA C 13 51.319 0.3 . 1 . . . . . 39 GLU CA . 27913 1
149 . 1 . 1 42 42 GLU CB C 13 26.880 0.3 . 1 . . . . . 39 GLU CB . 27913 1
150 . 1 . 1 42 42 GLU N N 15 123.827 0.2 . 1 . . . . . 39 GLU N . 27913 1
151 . 1 . 1 44 44 GLU H H 1 7.939 0.009 . 1 . . . . . 41 GLU H . 27913 1
152 . 1 . 1 44 44 GLU CA C 13 55.267 0.3 . 1 . . . . . 41 GLU CA . 27913 1
153 . 1 . 1 44 44 GLU CB C 13 28.140 0.3 . 1 . . . . . 41 GLU CB . 27913 1
154 . 1 . 1 44 44 GLU N N 15 126.240 0.2 . 1 . . . . . 41 GLU N . 27913 1
stop_
save_