###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6420
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY' 1 $sample_1 . 6420 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 2 2 TRP HA H 1 4.609 0.000 . . . . . . . . . . . 6420 1
2 . 1 1 2 2 TRP HB2 H 1 3.166 0.000 . . . . . . . . . . . 6420 1
3 . 1 1 2 2 TRP HB3 H 1 3.255 0.000 . . . . . . . . . . . 6420 1
4 . 1 1 2 2 TRP HD1 H 1 7.258 0.000 . . . . . . . . . . . 6420 1
5 . 1 1 2 2 TRP HE3 H 1 7.620 0.000 . . . . . . . . . . . 6420 1
6 . 1 1 2 2 TRP HH2 H 1 7.163 0.000 . . . . . . . . . . . 6420 1
7 . 1 1 2 2 TRP HZ2 H 1 7.438 0.000 . . . . . . . . . . . 6420 1
8 . 1 1 2 2 TRP HZ3 H 1 7.067 0.000 . . . . . . . . . . . 6420 1
9 . 1 1 2 2 TRP H H 1 8.012 0.000 . . . . . . . . . . . 6420 1
10 . 1 1 3 3 ASN HA H 1 4.513 0.000 . . . . . . . . . . . 6420 1
11 . 1 1 3 3 ASN HB2 H 1 2.519 0.000 . . . . . . . . . . . 6420 1
12 . 1 1 3 3 ASN HB3 H 1 2.432 0.000 . . . . . . . . . . . 6420 1
13 . 1 1 3 3 ASN H H 1 8.257 0.000 . . . . . . . . . . . 6420 1
14 . 1 1 4 4 ASP HA H 1 4.686 0.000 . . . . . . . . . . . 6420 1
15 . 1 1 4 4 ASP HB2 H 1 2.665 0.000 . . . . . . . . . . . 6420 1
16 . 1 1 4 4 ASP HB3 H 1 2.801 0.000 . . . . . . . . . . . 6420 1
17 . 1 1 4 4 ASP H H 1 8.291 0.000 . . . . . . . . . . . 6420 1
18 . 1 1 5 5 THR HA H 1 4.672 0.000 . . . . . . . . . . . 6420 1
19 . 1 1 5 5 THR HB H 1 5.475 0.000 . . . . . . . . . . . 6420 1
20 . 1 1 5 5 THR H H 1 8.122 0.000 . . . . . . . . . . . 6420 1
21 . 1 1 5 5 THR HG21 H 1 1.166 0.000 . . . . . . . . . . . 6420 1
22 . 1 1 5 5 THR HG22 H 1 1.166 0.000 . . . . . . . . . . . 6420 1
23 . 1 1 5 5 THR HG23 H 1 1.166 0.000 . . . . . . . . . . . 6420 1
24 . 1 1 6 6 GLY HA2 H 1 4.070 0.000 . . . . . . . . . . . 6420 1
25 . 1 1 6 6 GLY HA3 H 1 4.018 0.000 . . . . . . . . . . . 6420 1
26 . 1 1 6 6 GLY H H 1 8.313 0.000 . . . . . . . . . . . 6420 1
27 . 1 1 7 7 ORN HA H 1 4.362 0.000 . . . . . . . . . . . 6420 1
28 . 1 1 7 7 ORN HB2 H 1 1.891 0.000 . . . . . . . . . . . 6420 1
29 . 1 1 7 7 ORN HB3 H 1 1.793 0.000 . . . . . . . . . . . 6420 1
30 . 1 1 7 7 ORN HG2 H 1 1.713 0.000 . . . . . . . . . . . 6420 1
31 . 1 1 7 7 ORN HD2 H 1 2.997 0.000 . . . . . . . . . . . 6420 1
32 . 1 1 7 7 ORN H H 1 8.297 0.000 . . . . . . . . . . . 6420 1
33 . 1 1 8 8 ASP HA H 1 4.537 0.000 . . . . . . . . . . . 6420 1
34 . 1 1 8 8 ASP HB2 H 1 2.404 0.000 . . . . . . . . . . . 6420 1
35 . 1 1 8 8 ASP HB3 H 1 2.581 0.000 . . . . . . . . . . . 6420 1
36 . 1 1 8 8 ASP H H 1 8.341 0.000 . . . . . . . . . . . 6420 1
37 . 1 1 9 9 DAL HA H 1 4.318 0.000 . . . . . . . . . . . 6420 1
38 . 1 1 9 9 DAL HB H 1 1.363 0.000 . . . . . . . . . . . 6420 1
39 . 1 1 9 9 DAL H H 1 8.187 0.000 . . . . . . . . . . . 6420 1
40 . 1 1 10 10 ASP HA H 1 4.654 0.000 . . . . . . . . . . . 6420 1
41 . 1 1 10 10 ASP HB2 H 1 2.708 0.000 . . . . . . . . . . . 6420 1
42 . 1 1 10 10 ASP HB3 H 1 2.774 0.000 . . . . . . . . . . . 6420 1
43 . 1 1 10 10 ASP H H 1 8.459 0.000 . . . . . . . . . . . 6420 1
44 . 1 1 11 11 GLY HA2 H 1 3.992 0.000 . . . . . . . . . . . 6420 1
45 . 1 1 11 11 GLY H H 1 8.338 0.000 . . . . . . . . . . . 6420 1
46 . 1 1 12 12 DSN HA H 1 4.584 0.000 . . . . . . . . . . . 6420 1
47 . 1 1 12 12 DSN HB2 H 1 3.878 0.000 . . . . . . . . . . . 6420 1
48 . 1 1 12 12 DSN H H 1 8.046 0.000 . . . . . . . . . . . 6420 1
49 . 1 1 13 13 LME HA H 1 4.575 0.000 . . . . . . . . . . . 6420 1
50 . 1 1 13 13 LME HB H 1 2.425 0.000 . . . . . . . . . . . 6420 1
51 . 1 1 13 13 LME HG1 H 1 0.931 0.000 . . . . . . . . . . . 6420 1
52 . 1 1 13 13 LME HG22 H 1 2.114 0.000 . . . . . . . . . . . 6420 1
53 . 1 1 13 13 LME HG23 H 1 2.369 0.000 . . . . . . . . . . . 6420 1
54 . 1 1 13 13 LME H H 1 8.275 0.000 . . . . . . . . . . . 6420 1
55 . 1 1 14 14 KYN HA H 1 4.848 0.000 . . . . . . . . . . . 6420 1
56 . 1 1 14 14 KYN HB2 H 1 3.258 0.000 . . . . . . . . . . . 6420 1
57 . 1 1 14 14 KYN HB3 H 1 3.535 0.000 . . . . . . . . . . . 6420 1
58 . 1 1 14 14 KYN HH H 1 7.357 0.000 . . . . . . . . . . . 6420 1
59 . 1 1 14 14 KYN HI H 1 7.412 0.000 . . . . . . . . . . . 6420 1
60 . 1 1 14 14 KYN HT H 1 6.683 0.000 . . . . . . . . . . . 6420 1
61 . 1 1 14 14 KYN HZ H 1 6.793 0.000 . . . . . . . . . . . 6420 1
62 . 1 1 14 14 KYN H H 1 8.520 0.000 . . . . . . . . . . . 6420 1
stop_
save_