###################################
# 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 15044
_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 NOESY' . . . 15044 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 VAL HA H 1 3.762 . . . . . . . 1 VAL HA . 15044 1
2 . 1 1 1 1 VAL HB H 1 2.145 . . . . . . . 1 VAL HB . 15044 1
3 . 1 1 1 1 VAL HG11 H 1 0.974 . . . . . . . 1 VAL HG1 . 15044 1
4 . 1 1 1 1 VAL HG12 H 1 0.974 . . . . . . . 1 VAL HG1 . 15044 1
5 . 1 1 1 1 VAL HG13 H 1 0.974 . . . . . . . 1 VAL HG1 . 15044 1
6 . 1 1 2 2 ARG HA H 1 4.301 . . . . . . . 2 ARG HA . 15044 1
7 . 1 1 2 2 ARG HB2 H 1 1.686 . . . . . . . 2 ARG HB2 . 15044 1
8 . 1 1 2 2 ARG HG2 H 1 1.518 . . . . . . . 2 ARG HG2 . 15044 1
9 . 1 1 2 2 ARG HG3 H 1 1.470 . . . . . . . 2 ARG HG3 . 15044 1
10 . 1 1 2 2 ARG HD2 H 1 3.039 . . . . . . . 2 ARG HD2 . 15044 1
11 . 1 1 3 3 ARG H H 1 8.268 . . . . . . . 3 ARG H . 15044 1
12 . 1 1 3 3 ARG HA H 1 4.292 . . . . . . . 3 ARG HA . 15044 1
13 . 1 1 3 3 ARG HB2 H 1 1.642 . . . . . . . 3 ARG HB2 . 15044 1
14 . 1 1 3 3 ARG HB3 H 1 1.712 . . . . . . . 3 ARG HB3 . 15044 1
15 . 1 1 3 3 ARG HG2 H 1 1.550 . . . . . . . 3 ARG HG2 . 15044 1
16 . 1 1 3 3 ARG HG3 H 1 1.489 . . . . . . . 3 ARG HG3 . 15044 1
17 . 1 1 3 3 ARG HD2 H 1 3.130 . . . . . . . 3 ARG HD2 . 15044 1
18 . 1 1 4 4 PHE H H 1 8.307 . . . . . . . 4 PHE H . 15044 1
19 . 1 1 4 4 PHE HA H 1 4.420 . . . . . . . 4 PHE HA . 15044 1
20 . 1 1 4 4 PHE HB2 H 1 2.711 . . . . . . . 4 PHE HB2 . 15044 1
21 . 1 1 4 4 PHE HB3 H 1 2.621 . . . . . . . 4 PHE HB3 . 15044 1
22 . 1 1 4 4 PHE HD1 H 1 6.747 . . . . . . . 4 PHE HD1 . 15044 1
23 . 1 1 4 4 PHE HE1 H 1 6.993 . . . . . . . 4 PHE HE1 . 15044 1
24 . 1 1 4 4 PHE HZ H 1 7.042 . . . . . . . 4 PHE HZ . 15044 1
25 . 1 1 5 5 PRO HA H 1 4.283 . . . . . . . 5 PRO HA . 15044 1
26 . 1 1 5 5 PRO HB2 H 1 1.861 . . . . . . . 5 PRO HB2 . 15044 1
27 . 1 1 5 5 PRO HB3 H 1 0.620 . . . . . . . 5 PRO HB3 . 15044 1
28 . 1 1 5 5 PRO HG2 H 1 1.194 . . . . . . . 5 PRO HG2 . 15044 1
29 . 1 1 5 5 PRO HG3 H 1 1.620 . . . . . . . 5 PRO HG3 . 15044 1
30 . 1 1 5 5 PRO HD2 H 1 3.448 . . . . . . . 5 PRO HD2 . 15044 1
31 . 1 1 5 5 PRO HD3 H 1 2.814 . . . . . . . 5 PRO HD3 . 15044 1
32 . 1 1 6 6 TRP H H 1 8.324 . . . . . . . 6 TRP H . 15044 1
33 . 1 1 6 6 TRP HA H 1 4.313 . . . . . . . 6 TRP HA . 15044 1
34 . 1 1 6 6 TRP HB2 H 1 3.345 . . . . . . . 6 TRP HB2 . 15044 1
35 . 1 1 6 6 TRP HB3 H 1 3.479 . . . . . . . 6 TRP HB3 . 15044 1
36 . 1 1 6 6 TRP HD1 H 1 7.661 . . . . . . . 6 TRP HD1 . 15044 1
37 . 1 1 6 6 TRP HE1 H 1 11.136 . . . . . . . 6 TRP HE1 . 15044 1
38 . 1 1 6 6 TRP HE3 H 1 7.389 . . . . . . . 6 TRP HE3 . 15044 1
39 . 1 1 6 6 TRP HZ2 H 1 7.542 . . . . . . . 6 TRP HZ2 . 15044 1
40 . 1 1 6 6 TRP HZ3 H 1 6.837 . . . . . . . 6 TRP HZ3 . 15044 1
41 . 1 1 6 6 TRP HH2 H 1 7.031 . . . . . . . 6 TRP HH2 . 15044 1
42 . 1 1 7 7 TRP H H 1 6.237 . . . . . . . 7 TRP H . 15044 1
43 . 1 1 7 7 TRP HA H 1 4.058 . . . . . . . 7 TRP HA . 15044 1
44 . 1 1 7 7 TRP HB2 H 1 1.699 . . . . . . . 7 TRP HB2 . 15044 1
45 . 1 1 7 7 TRP HB3 H 1 3.036 . . . . . . . 7 TRP HB3 . 15044 1
46 . 1 1 7 7 TRP HD1 H 1 6.273 . . . . . . . 7 TRP HD1 . 15044 1
47 . 1 1 7 7 TRP HE1 H 1 10.598 . . . . . . . 7 TRP HE1 . 15044 1
48 . 1 1 7 7 TRP HE3 H 1 7.253 . . . . . . . 7 TRP HE3 . 15044 1
49 . 1 1 7 7 TRP HZ2 H 1 7.394 . . . . . . . 7 TRP HZ2 . 15044 1
50 . 1 1 7 7 TRP HZ3 H 1 6.952 . . . . . . . 7 TRP HZ3 . 15044 1
51 . 1 1 7 7 TRP HH2 H 1 7.091 . . . . . . . 7 TRP HH2 . 15044 1
52 . 1 1 8 8 TRP H H 1 7.316 . . . . . . . 8 TRP H . 15044 1
53 . 1 1 8 8 TRP HA H 1 4.206 . . . . . . . 8 TRP HA . 15044 1
54 . 1 1 8 8 TRP HB2 H 1 2.766 . . . . . . . 8 TRP HB2 . 15044 1
55 . 1 1 8 8 TRP HB3 H 1 3.029 . . . . . . . 8 TRP HB3 . 15044 1
56 . 1 1 8 8 TRP HD1 H 1 6.666 . . . . . . . 8 TRP HD1 . 15044 1
57 . 1 1 8 8 TRP HE1 H 1 10.006 . . . . . . . 8 TRP HE1 . 15044 1
58 . 1 1 8 8 TRP HE3 H 1 7.244 . . . . . . . 8 TRP HE3 . 15044 1
59 . 1 1 8 8 TRP HZ2 H 1 7.359 . . . . . . . 8 TRP HZ2 . 15044 1
60 . 1 1 8 8 TRP HZ3 H 1 6.945 . . . . . . . 8 TRP HZ3 . 15044 1
61 . 1 1 8 8 TRP HH2 H 1 7.062 . . . . . . . 8 TRP HH2 . 15044 1
62 . 1 1 9 9 ALA H H 1 7.573 . . . . . . . 9 ALA H . 15044 1
63 . 1 1 9 9 ALA HA H 1 3.902 . . . . . . . 9 ALA HA . 15044 1
64 . 1 1 9 9 ALA HB1 H 1 1.331 . . . . . . . 9 ALA HB . 15044 1
65 . 1 1 9 9 ALA HB2 H 1 1.331 . . . . . . . 9 ALA HB . 15044 1
66 . 1 1 9 9 ALA HB3 H 1 1.331 . . . . . . . 9 ALA HB . 15044 1
67 . 1 1 10 10 PHE H H 1 7.555 . . . . . . . 10 PHE H . 15044 1
68 . 1 1 10 10 PHE HA H 1 4.314 . . . . . . . 10 PHE HA . 15044 1
69 . 1 1 10 10 PHE HB2 H 1 3.204 . . . . . . . 10 PHE HB2 . 15044 1
70 . 1 1 10 10 PHE HB3 H 1 3.087 . . . . . . . 10 PHE HB3 . 15044 1
71 . 1 1 10 10 PHE HD1 H 1 7.311 . . . . . . . 10 PHE HD1 . 15044 1
72 . 1 1 10 10 PHE HE1 H 1 7.403 . . . . . . . 10 PHE HE1 . 15044 1
73 . 1 1 10 10 PHE HZ H 1 7.356 . . . . . . . 10 PHE HZ . 15044 1
74 . 1 1 11 11 LEU H H 1 7.489 . . . . . . . 11 LEU H . 15044 1
75 . 1 1 11 11 LEU HA H 1 4.060 . . . . . . . 11 LEU HA . 15044 1
76 . 1 1 11 11 LEU HB2 H 1 1.420 . . . . . . . 11 LEU HB2 . 15044 1
77 . 1 1 11 11 LEU HB3 H 1 1.612 . . . . . . . 11 LEU HB3 . 15044 1
78 . 1 1 11 11 LEU HG H 1 1.755 . . . . . . . 11 LEU HG . 15044 1
79 . 1 1 11 11 LEU HD11 H 1 0.814 . . . . . . . 11 LEU HD1 . 15044 1
80 . 1 1 11 11 LEU HD12 H 1 0.814 . . . . . . . 11 LEU HD1 . 15044 1
81 . 1 1 11 11 LEU HD13 H 1 0.814 . . . . . . . 11 LEU HD1 . 15044 1
82 . 1 1 12 12 ARG H H 1 7.490 . . . . . . . 12 ARG H . 15044 1
83 . 1 1 12 12 ARG HA H 1 4.102 . . . . . . . 12 ARG HA . 15044 1
84 . 1 1 12 12 ARG HB2 H 1 1.573 . . . . . . . 12 ARG HB2 . 15044 1
85 . 1 1 12 12 ARG HB3 H 1 1.677 . . . . . . . 12 ARG HB3 . 15044 1
86 . 1 1 12 12 ARG HG2 H 1 1.414 . . . . . . . 12 ARG HG2 . 15044 1
87 . 1 1 12 12 ARG HD2 H 1 2.968 . . . . . . . 12 ARG HD2 . 15044 1
88 . 1 1 12 12 ARG HE H 1 7.352 . . . . . . . 12 ARG HE . 15044 1
89 . 1 1 13 13 ARG H H 1 7.822 . . . . . . . 13 ARG H . 15044 1
90 . 1 1 13 13 ARG HA H 1 4.170 . . . . . . . 13 ARG HA . 15044 1
91 . 1 1 13 13 ARG HB2 H 1 1.770 . . . . . . . 13 ARG HB2 . 15044 1
92 . 1 1 13 13 ARG HB3 H 1 1.874 . . . . . . . 13 ARG HB3 . 15044 1
93 . 1 1 13 13 ARG HG2 H 1 1.676 . . . . . . . 13 ARG HG2 . 15044 1
94 . 1 1 13 13 ARG HG3 H 1 1.628 . . . . . . . 13 ARG HG3 . 15044 1
95 . 1 1 13 13 ARG HD2 H 1 3.155 . . . . . . . 13 ARG HD2 . 15044 1
96 . 1 1 13 13 ARG HE H 1 7.422 . . . . . . . 13 ARG HE . 15044 1
97 . 1 1 14 14 NH2 HN1 H 1 7.425 . . . . . . . 14 NH2 NH1 . 15044 1
stop_
save_