###################################
# 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_ctx21-09_chemicalshifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode ctx21-09_chemicalshifts
_Assigned_chem_shift_list.Entry_ID 19587
_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-1H NOESY' . . . 19587 1
2 '2D DQF-COSY' . . . 19587 1
3 '2D 1H-1H TOCSY' . . . 19587 1
4 '2D 1H-13C HSQC' . . . 19587 1
5 '2D 1H-15N HSQC' . . . 19587 1
6 '2D 1H-1H NOESY' . . . 19587 1
7 '2D DQF-COSY' . . . 19587 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 GLY HA2 H 1 3.9165 . . 2 . . . A 1 GLY HA2 . 19587 1
2 . 1 1 1 1 GLY HA3 H 1 3.9165 . . 2 . . . A 1 GLY HA3 . 19587 1
3 . 1 1 1 1 GLY CA C 13 43.2823 . . 1 . . . A 1 GLY CA . 19587 1
4 . 1 1 2 2 CYS H H 1 8.7484 . . 1 . . . A 2 CYS H . 19587 1
5 . 1 1 2 2 CYS HA H 1 4.7239 . . 1 . . . A 2 CYS HA . 19587 1
6 . 1 1 2 2 CYS CA C 13 56.6571 . . 1 . . . A 2 CYS CA . 19587 1
7 . 1 1 2 2 CYS CB C 13 42.1431 . . 1 . . . A 2 CYS CB . 19587 1
8 . 1 1 2 2 CYS N N 15 119.377 . . 1 . . . A 2 CYS N . 19587 1
9 . 1 1 3 3 ABA CA C 13 58.2258 . . 1 . . . A 3 ABA CA . 19587 1
10 . 1 1 3 3 ABA CB C 13 36.2466 . . 1 . . . A 3 ABA CB . 19587 1
11 . 1 1 3 3 ABA HA H 1 4.1587 . . 1 . . . A 3 ABA HA . 19587 1
12 . 1 1 3 3 ABA HN H 1 8.5372 . . 1 . . . A 3 ABA HN . 19587 1
13 . 1 1 3 3 ABA N N 15 119.5418 . . 1 . . . A 3 ABA N . 19587 1
14 . 1 1 4 4 SER H H 1 8.2172 . . 1 . . . A 4 SER H . 19587 1
15 . 1 1 4 4 SER HA H 1 4.3642 . . 1 . . . A 4 SER HA . 19587 1
16 . 1 1 4 4 SER CA C 13 58.7575 . . 1 . . . A 4 SER CA . 19587 1
17 . 1 1 4 4 SER CB C 13 63.2605 . . 1 . . . A 4 SER CB . 19587 1
18 . 1 1 4 4 SER N N 15 113.4584 . . 1 . . . A 4 SER N . 19587 1
19 . 1 1 5 5 ASP H H 1 7.8142 . . 1 . . . A 5 ASP H . 19587 1
20 . 1 1 5 5 ASP HA H 1 5.0801 . . 1 . . . A 5 ASP HA . 19587 1
21 . 1 1 5 5 ASP CA C 13 51.0559 . . 1 . . . A 5 ASP CA . 19587 1
22 . 1 1 5 5 ASP CB C 13 42.8286 . . 1 . . . A 5 ASP CB . 19587 1
23 . 1 1 5 5 ASP N N 15 122.6873 . . 1 . . . A 5 ASP N . 19587 1
24 . 1 1 6 6 PRO HA H 1 4.4145 . . 1 . . . A 6 PRO HA . 19587 1
25 . 1 1 6 6 PRO CA C 13 64.5005 . . 1 . . . A 6 PRO CA . 19587 1
26 . 1 1 6 6 PRO CB C 13 32.3553 . . 1 . . . A 6 PRO CB . 19587 1
27 . 1 1 7 7 ARG H H 1 8.3211 . . 1 . . . A 7 ARG H . 19587 1
28 . 1 1 7 7 ARG HA H 1 4.266 . . 1 . . . A 7 ARG HA . 19587 1
29 . 1 1 7 7 ARG CA C 13 56.6571 . . 1 . . . A 7 ARG CA . 19587 1
30 . 1 1 7 7 ARG CB C 13 29.7315 . . 1 . . . A 7 ARG CB . 19587 1
31 . 1 1 8 8 CYS H H 1 7.9476 . . 1 . . . A 8 CYS H . 19587 1
32 . 1 1 8 8 CYS HA H 1 4.4934 . . 1 . . . A 8 CYS HA . 19587 1
33 . 1 1 8 8 CYS CA C 13 57.0157 . . 1 . . . A 8 CYS CA . 19587 1
34 . 1 1 8 8 CYS CB C 13 41.7323 . . 1 . . . A 8 CYS CB . 19587 1
35 . 1 1 9 9 ASN H H 1 8.4598 . . 1 . . . A 9 ASN H . 19587 1
36 . 1 1 9 9 ASN HA H 1 4.5614 . . 1 . . . A 9 ASN HA . 19587 1
37 . 1 1 9 9 ASN CA C 13 53.7887 . . 1 . . . A 9 ASN CA . 19587 1
38 . 1 1 9 9 ASN CB C 13 38.6883 . . 1 . . . A 9 ASN CB . 19587 1
39 . 1 1 9 9 ASN N N 15 120.2836 . . 1 . . . A 9 ASN N . 19587 1
40 . 1 1 10 10 TYR H H 1 7.8636 . . 1 . . . A 10 TYR H . 19587 1
41 . 1 1 10 10 TYR HA H 1 4.3948 . . 1 . . . A 10 TYR HA . 19587 1
42 . 1 1 10 10 TYR CA C 13 58.7152 . . 1 . . . A 10 TYR CA . 19587 1
43 . 1 1 10 10 TYR CB C 13 38.4082 . . 1 . . . A 10 TYR CB . 19587 1
44 . 1 1 10 10 TYR N N 15 119.0611 . . 1 . . . A 10 TYR N . 19587 1
45 . 1 1 11 11 ASP H H 1 8.1195 . . 1 . . . A 11 ASP H . 19587 1
46 . 1 1 11 11 ASP HA H 1 4.4362 . . 1 . . . A 11 ASP HA . 19587 1
47 . 1 1 11 11 ASP CA C 13 54.5058 . . 1 . . . A 11 ASP CA . 19587 1
48 . 1 1 11 11 ASP CB C 13 40.4998 . . 1 . . . A 11 ASP CB . 19587 1
49 . 1 1 11 11 ASP N N 15 119.2396 . . 1 . . . A 11 ASP N . 19587 1
50 . 1 1 12 12 HIS H H 1 8.0225 . . 1 . . . A 12 HIS H . 19587 1
51 . 1 1 12 12 HIS HA H 1 4.9946 . . 1 . . . A 12 HIS HA . 19587 1
52 . 1 1 12 12 HIS CA C 13 53.6805 . . 1 . . . A 12 HIS CA . 19587 1
53 . 1 1 12 12 HIS CB C 13 28.5827 . . 1 . . . A 12 HIS CB . 19587 1
54 . 1 1 12 12 HIS N N 15 116.5337 . . 1 . . . A 12 HIS N . 19587 1
55 . 1 1 13 13 PRO HA H 1 4.4605 . . 1 . . . A 13 PRO HA . 19587 1
56 . 1 1 13 13 PRO CA C 13 64.1569 . . 1 . . . A 13 PRO CA . 19587 1
57 . 1 1 13 13 PRO CB C 13 32.0254 . . 1 . . . A 13 PRO CB . 19587 1
58 . 1 1 14 14 GLU H H 1 9.0903 . . 1 . . . A 14 GLU H . 19587 1
59 . 1 1 14 14 GLU HA H 1 4.3862 . . 1 . . . A 14 GLU HA . 19587 1
60 . 1 1 14 14 GLU CA C 13 56.48 . . 1 . . . A 14 GLU CA . 19587 1
61 . 1 1 14 14 GLU CB C 13 29.6069 . . 1 . . . A 14 GLU CB . 19587 1
62 . 1 1 14 14 GLU N N 15 120.6681 . . 1 . . . A 14 GLU N . 19587 1
63 . 1 1 15 15 ILE H H 1 8.1 . . 1 . . . A 15 ILE H . 19587 1
64 . 1 1 15 15 ILE HA H 1 4.1491 . . 1 . . . A 15 ILE HA . 19587 1
65 . 1 1 15 15 ILE CA C 13 61.6321 . . 1 . . . A 15 ILE CA . 19587 1
66 . 1 1 15 15 ILE CB C 13 37.8183 . . 1 . . . A 15 ILE CB . 19587 1
67 . 1 1 15 15 ILE N N 15 122.1791 . . 1 . . . A 15 ILE N . 19587 1
68 . 1 1 16 16 ABA CA C 13 56.1342 . . 1 . . . A 16 ABA CA . 19587 1
69 . 1 1 16 16 ABA CB C 13 36.7442 . . 1 . . . A 16 ABA CB . 19587 1
70 . 1 1 16 16 ABA HA H 1 4.3244 . . 1 . . . A 16 ABA HA . 19587 1
71 . 1 1 16 16 ABA HN H 1 8.2312 . . 1 . . . A 16 ABA HN . 19587 1
72 . 1 1 16 16 ABA N N 15 124.479 . . 1 . . . A 16 ABA N . 19587 1
stop_
save_