###################################
# 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 26677
_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_H2O
_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 TOCSY' . . . 26677 1
2 '2D 1H-1H ROESY' . . . 26677 1
3 '2D DQF-COSY' . . . 26677 1
4 '2D 1H-15N HSQC' . . . 26677 1
5 '2D 1H-13C HSQC' . . . 26677 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 TRP H H 1 8.106 0.001 . 1 . . . . 1 TRP H . 26677 1
2 . 1 1 1 1 TRP HA H 1 4.703 0.010 . 1 . . . . 1 TRP HA . 26677 1
3 . 1 1 1 1 TRP HB2 H 1 3.263 0.005 . 2 . . . . 1 TRP HB2 . 26677 1
4 . 1 1 1 1 TRP HB3 H 1 3.361 0.007 . 2 . . . . 1 TRP HB3 . 26677 1
5 . 1 1 1 1 TRP HD1 H 1 7.279 0.005 . 1 . . . . 1 TRP HD1 . 26677 1
6 . 1 1 1 1 TRP HE1 H 1 10.120 0.001 . 1 . . . . 1 TRP HE1 . 26677 1
7 . 1 1 1 1 TRP HE3 H 1 7.659 0.007 . 1 . . . . 1 TRP HE3 . 26677 1
8 . 1 1 1 1 TRP HZ2 H 1 7.507 0.007 . 1 . . . . 1 TRP HZ2 . 26677 1
9 . 1 1 1 1 TRP HZ3 H 1 7.185 0.007 . 1 . . . . 1 TRP HZ3 . 26677 1
10 . 1 1 1 1 TRP HH2 H 1 7.255 0.007 . 1 . . . . 1 TRP HH2 . 26677 1
11 . 1 1 1 1 TRP CA C 13 55.180 0.000 . 1 . . . . 1 TRP CA . 26677 1
12 . 1 1 1 1 TRP CB C 13 26.477 0.002 . 1 . . . . 1 TRP CB . 26677 1
13 . 1 1 1 1 TRP CD1 C 13 124.426 0.000 . 1 . . . . 1 TRP CD1 . 26677 1
14 . 1 1 1 1 TRP CE3 C 13 118.402 0.000 . 1 . . . . 1 TRP CE3 . 26677 1
15 . 1 1 1 1 TRP CZ2 C 13 111.983 0.000 . 1 . . . . 1 TRP CZ2 . 26677 1
16 . 1 1 1 1 TRP CZ3 C 13 119.449 0.000 . 1 . . . . 1 TRP CZ3 . 26677 1
17 . 1 1 1 1 TRP CH2 C 13 122.063 0.000 . 1 . . . . 1 TRP CH2 . 26677 1
18 . 1 1 1 1 TRP N N 15 125.716 0.000 . 1 . . . . 1 TRP N . 26677 1
19 . 1 1 1 1 TRP NE1 N 15 129.249 0.000 . 1 . . . . 1 TRP NE1 . 26677 1
20 . 1 1 2 2 ASP H H 1 8.133 0.006 . 1 . . . . 2 ASP H . 26677 1
21 . 1 1 2 2 ASP HA H 1 4.652 0.006 . 1 . . . . 2 ASP HA . 26677 1
22 . 1 1 2 2 ASP HB3 H 1 2.650 0.004 . 1 . . . . 2 ASP HB3 . 26677 1
23 . 1 1 2 2 ASP CA C 13 50.829 0.000 . 1 . . . . 2 ASP CA . 26677 1
24 . 1 1 2 2 ASP CB C 13 38.954 0.000 . 1 . . . . 2 ASP CB . 26677 1
25 . 1 1 2 2 ASP N N 15 119.487 0.000 . 1 . . . . 2 ASP N . 26677 1
26 . 1 1 3 3 ILE H H 1 8.250 0.005 . 1 . . . . 3 ILE H . 26677 1
27 . 1 1 3 3 ILE HA H 1 4.057 0.004 . 1 . . . . 3 ILE HA . 26677 1
28 . 1 1 3 3 ILE HB H 1 1.905 0.006 . 1 . . . . 3 ILE HB . 26677 1
29 . 1 1 3 3 ILE HG12 H 1 1.246 0.011 . 2 . . . . 3 ILE HG12 . 26677 1
30 . 1 1 3 3 ILE HG13 H 1 1.439 0.011 . 2 . . . . 3 ILE HG13 . 26677 1
31 . 1 1 3 3 ILE HG21 H 1 0.933 0.010 . 1 . . . . 3 ILE HG21 . 26677 1
32 . 1 1 3 3 ILE HG22 H 1 0.933 0.010 . 1 . . . . 3 ILE HG22 . 26677 1
33 . 1 1 3 3 ILE HG23 H 1 0.933 0.010 . 1 . . . . 3 ILE HG23 . 26677 1
34 . 1 1 3 3 ILE HD11 H 1 0.900 0.006 . 1 . . . . 3 ILE HD11 . 26677 1
35 . 1 1 3 3 ILE HD12 H 1 0.900 0.006 . 1 . . . . 3 ILE HD12 . 26677 1
36 . 1 1 3 3 ILE HD13 H 1 0.900 0.006 . 1 . . . . 3 ILE HD13 . 26677 1
37 . 1 1 3 3 ILE CA C 13 60.308 0.000 . 1 . . . . 3 ILE CA . 26677 1
38 . 1 1 3 3 ILE CB C 13 35.780 0.000 . 1 . . . . 3 ILE CB . 26677 1
39 . 1 1 3 3 ILE CG1 C 13 24.890 0.006 . 1 . . . . 3 ILE CG1 . 26677 1
40 . 1 1 3 3 ILE CG2 C 13 14.802 0.000 . 1 . . . . 3 ILE CG2 . 26677 1
41 . 1 1 3 3 ILE CD1 C 13 10.893 0.000 . 1 . . . . 3 ILE CD1 . 26677 1
42 . 1 1 3 3 ILE N N 15 119.799 0.000 . 1 . . . . 3 ILE N . 26677 1
43 . 1 1 4 4 ASN H H 1 8.186 0.004 . 1 . . . . 4 ASN H . 26677 1
44 . 1 1 4 4 ASN HA H 1 4.676 0.010 . 1 . . . . 4 ASN HA . 26677 1
45 . 1 1 4 4 ASN HB2 H 1 2.757 0.004 . 2 . . . . 4 ASN HB2 . 26677 1
46 . 1 1 4 4 ASN HB3 H 1 2.870 0.012 . 2 . . . . 4 ASN HB3 . 26677 1
47 . 1 1 4 4 ASN HD21 H 1 6.927 0.001 . 1 . . . . 4 ASN HD21 . 26677 1
48 . 1 1 4 4 ASN HD22 H 1 7.715 0.001 . 1 . . . . 4 ASN HD22 . 26677 1
49 . 1 1 4 4 ASN CA C 13 51.215 0.000 . 1 . . . . 4 ASN CA . 26677 1
50 . 1 1 4 4 ASN CB C 13 35.930 0.003 . 1 . . . . 4 ASN CB . 26677 1
51 . 1 1 4 4 ASN N N 15 118.232 0.000 . 1 . . . . 4 ASN N . 26677 1
52 . 1 1 4 4 ASN ND2 N 15 113.708 0.008 . 1 . . . . 4 ASN ND2 . 26677 1
53 . 1 1 5 5 ASN H H 1 8.011 0.005 . 1 . . . . 5 ASN H . 26677 1
54 . 1 1 5 5 ASN HA H 1 4.601 0.005 . 1 . . . . 5 ASN HA . 26677 1
55 . 1 1 5 5 ASN HB2 H 1 2.671 0.007 . 2 . . . . 5 ASN HB2 . 26677 1
56 . 1 1 5 5 ASN HB3 H 1 2.838 0.004 . 2 . . . . 5 ASN HB3 . 26677 1
57 . 1 1 5 5 ASN HD21 H 1 6.735 0.001 . 1 . . . . 5 ASN HD21 . 26677 1
58 . 1 1 5 5 ASN HD22 H 1 7.656 0.003 . 1 . . . . 5 ASN HD22 . 26677 1
59 . 1 1 5 5 ASN CA C 13 51.044 0.000 . 1 . . . . 5 ASN CA . 26677 1
60 . 1 1 5 5 ASN CB C 13 35.768 0.014 . 1 . . . . 5 ASN CB . 26677 1
61 . 1 1 5 5 ASN N N 15 115.738 0.000 . 1 . . . . 5 ASN N . 26677 1
62 . 1 1 5 5 ASN ND2 N 15 113.218 0.017 . 1 . . . . 5 ASN ND2 . 26677 1
63 . 1 1 6 6 ASN H H 1 8.304 0.002 . 1 . . . . 6 ASN H . 26677 1
64 . 1 1 6 6 ASN HA H 1 4.564 0.006 . 1 . . . . 6 ASN HA . 26677 1
65 . 1 1 6 6 ASN HB2 H 1 2.660 0.001 . 2 . . . . 6 ASN HB2 . 26677 1
66 . 1 1 6 6 ASN HB3 H 1 2.795 0.004 . 2 . . . . 6 ASN HB3 . 26677 1
67 . 1 1 6 6 ASN HD21 H 1 6.809 0.001 . 1 . . . . 6 ASN HD21 . 26677 1
68 . 1 1 6 6 ASN HD22 H 1 7.580 0.000 . 1 . . . . 6 ASN HD22 . 26677 1
69 . 1 1 6 6 ASN CA C 13 51.353 0.000 . 1 . . . . 6 ASN CA . 26677 1
70 . 1 1 6 6 ASN CB C 13 35.902 0.000 . 1 . . . . 6 ASN CB . 26677 1
71 . 1 1 6 6 ASN N N 15 117.565 0.000 . 1 . . . . 6 ASN N . 26677 1
72 . 1 1 6 6 ASN ND2 N 15 112.642 0.006 . 1 . . . . 6 ASN ND2 . 26677 1
73 . 1 1 7 7 BAL H H 1 7.901 0.002 . 1 . . . . 7 BAL H . 26677 1
74 . 1 1 7 7 BAL HA1 H 1 2.431 0.007 . 2 . . . . 7 BAL HA1 . 26677 1
75 . 1 1 7 7 BAL HA2 H 1 2.292 0.009 . 2 . . . . 7 BAL HA2 . 26677 1
76 . 1 1 7 7 BAL HB2 H 1 3.481 0.004 . 2 . . . . 7 BAL HB2 . 26677 1
77 . 1 1 7 7 BAL HB3 H 1 3.317 0.005 . 2 . . . . 7 BAL HB3 . 26677 1
78 . 1 1 7 7 BAL CA C 13 34.968 0.005 . 1 . . . . 7 BAL CA . 26677 1
79 . 1 1 7 7 BAL CB C 13 35.920 0.005 . 1 . . . . 7 BAL CB . 26677 1
80 . 1 1 7 7 BAL N N 15 116.672 0.000 . 1 . . . . 7 BAL N . 26677 1
stop_
save_