###################################
# 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_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 623
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 623 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 PHE HA H 1 4.302 . . 1 . . . . . . . . 623 1
2 . 1 1 1 1 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 623 1
3 . 1 1 1 1 PHE HB3 H 1 3.198 . . 2 . . . . . . . . 623 1
4 . 1 1 1 1 PHE HD1 H 1 7.263 . . 1 . . . . . . . . 623 1
5 . 1 1 1 1 PHE HD2 H 1 7.263 . . 1 . . . . . . . . 623 1
6 . 1 1 1 1 PHE HE1 H 1 7.385 . . 1 . . . . . . . . 623 1
7 . 1 1 1 1 PHE HE2 H 1 7.385 . . 1 . . . . . . . . 623 1
8 . 1 1 1 1 PHE HZ H 1 7.403 . . 1 . . . . . . . . 623 1
9 . 1 1 2 2 LYS H H 1 8.509 . . 1 . . . . . . . . 623 1
10 . 1 1 2 2 LYS HA H 1 4.36 . . 1 . . . . . . . . 623 1
11 . 1 1 2 2 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 623 1
12 . 1 1 2 2 LYS HB3 H 1 1.71 . . 2 . . . . . . . . 623 1
13 . 1 1 2 2 LYS HG2 H 1 1.396 . . 1 . . . . . . . . 623 1
14 . 1 1 2 2 LYS HG3 H 1 1.396 . . 1 . . . . . . . . 623 1
15 . 1 1 2 2 LYS HD2 H 1 1.672 . . 2 . . . . . . . . 623 1
16 . 1 1 2 2 LYS HD3 H 1 1.61 . . 2 . . . . . . . . 623 1
17 . 1 1 2 2 LYS HE2 H 1 2.973 . . 1 . . . . . . . . 623 1
18 . 1 1 2 2 LYS HE3 H 1 2.973 . . 1 . . . . . . . . 623 1
19 . 1 1 3 3 LEU H H 1 8.449 . . 1 . . . . . . . . 623 1
20 . 1 1 3 3 LEU HA H 1 4.342 . . 1 . . . . . . . . 623 1
21 . 1 1 3 3 LEU HB2 H 1 1.672 . . 2 . . . . . . . . 623 1
22 . 1 1 3 3 LEU HB3 H 1 1.653 . . 2 . . . . . . . . 623 1
23 . 1 1 3 3 LEU HG H 1 1.679 . . 1 . . . . . . . . 623 1
24 . 1 1 3 3 LEU HD11 H 1 .983 . . 2 . . . . . . . . 623 1
25 . 1 1 3 3 LEU HD12 H 1 .983 . . 2 . . . . . . . . 623 1
26 . 1 1 3 3 LEU HD13 H 1 .983 . . 2 . . . . . . . . 623 1
27 . 1 1 3 3 LEU HD21 H 1 .943 . . 2 . . . . . . . . 623 1
28 . 1 1 3 3 LEU HD22 H 1 .943 . . 2 . . . . . . . . 623 1
29 . 1 1 3 3 LEU HD23 H 1 .943 . . 2 . . . . . . . . 623 1
30 . 1 1 4 4 GLY H H 1 8.518 . . 1 . . . . . . . . 623 1
31 . 1 1 4 4 GLY HA2 H 1 3.983 . . 1 . . . . . . . . 623 1
32 . 1 1 4 4 GLY HA3 H 1 3.983 . . 1 . . . . . . . . 623 1
33 . 1 1 5 5 GLY H H 1 8.3 . . 1 . . . . . . . . 623 1
34 . 1 1 5 5 GLY HA2 H 1 4.002 . . 2 . . . . . . . . 623 1
35 . 1 1 5 5 GLY HA3 H 1 3.944 . . 2 . . . . . . . . 623 1
36 . 1 1 6 6 ARG H H 1 8.342 . . 1 . . . . . . . . 623 1
37 . 1 1 6 6 ARG HA H 1 4.32 . . 1 . . . . . . . . 623 1
38 . 1 1 6 6 ARG HB2 H 1 1.85 . . 2 . . . . . . . . 623 1
39 . 1 1 6 6 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 623 1
40 . 1 1 6 6 ARG HG2 H 1 1.686 . . 2 . . . . . . . . 623 1
41 . 1 1 6 6 ARG HG3 H 1 1.671 . . 2 . . . . . . . . 623 1
42 . 1 1 6 6 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 623 1
43 . 1 1 6 6 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 623 1
44 . 1 1 6 6 ARG HE H 1 7.176 . . 1 . . . . . . . . 623 1
45 . 1 1 7 7 ASP H H 1 8.588 . . 1 . . . . . . . . 623 1
46 . 1 1 7 7 ASP HA H 1 4.655 . . 1 . . . . . . . . 623 1
47 . 1 1 7 7 ASP HB2 H 1 2.969 . . 2 . . . . . . . . 623 1
48 . 1 1 7 7 ASP HB3 H 1 2.835 . . 2 . . . . . . . . 623 1
49 . 1 1 8 8 SER H H 1 8.316 . . 1 . . . . . . . . 623 1
50 . 1 1 8 8 SER HA H 1 4.444 . . 1 . . . . . . . . 623 1
51 . 1 1 8 8 SER HB2 H 1 3.881 . . 2 . . . . . . . . 623 1
52 . 1 1 8 8 SER HB3 H 1 3.847 . . 2 . . . . . . . . 623 1
53 . 1 1 9 9 ARG H H 1 8.381 . . 1 . . . . . . . . 623 1
54 . 1 1 9 9 ARG HA H 1 4.4 . . 1 . . . . . . . . 623 1
55 . 1 1 9 9 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 623 1
56 . 1 1 9 9 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 623 1
57 . 1 1 9 9 ARG HG2 H 1 1.648 . . 1 . . . . . . . . 623 1
58 . 1 1 9 9 ARG HG3 H 1 1.648 . . 1 . . . . . . . . 623 1
59 . 1 1 9 9 ARG HD2 H 1 3.208 . . 1 . . . . . . . . 623 1
60 . 1 1 9 9 ARG HD3 H 1 3.208 . . 1 . . . . . . . . 623 1
61 . 1 1 9 9 ARG HE H 1 7.716 . . 1 . . . . . . . . 623 1
62 . 1 1 10 10 SER H H 1 8.262 . . 1 . . . . . . . . 623 1
63 . 1 1 10 10 SER HA H 1 4.438 . . 1 . . . . . . . . 623 1
64 . 1 1 10 10 SER HB2 H 1 3.881 . . 2 . . . . . . . . 623 1
65 . 1 1 10 10 SER HB3 H 1 3.848 . . 2 . . . . . . . . 623 1
66 . 1 1 11 11 GLY H H 1 8.419 . . 1 . . . . . . . . 623 1
67 . 1 1 11 11 GLY HA2 H 1 4.013 . . 2 . . . . . . . . 623 1
68 . 1 1 11 11 GLY HA3 H 1 3.991 . . 2 . . . . . . . . 623 1
69 . 1 1 12 12 SER H H 1 8.221 . . 1 . . . . . . . . 623 1
70 . 1 1 12 12 SER HA H 1 4.785 . . 1 . . . . . . . . 623 1
71 . 1 1 12 12 SER HB2 H 1 3.872 . . 2 . . . . . . . . 623 1
72 . 1 1 12 12 SER HB3 H 1 3.84 . . 2 . . . . . . . . 623 1
73 . 1 1 13 13 PRO HA H 1 4.463 . . 1 . . . . . . . . 623 1
74 . 1 1 13 13 PRO HB2 H 1 2.301 . . 2 . . . . . . . . 623 1
75 . 1 1 13 13 PRO HB3 H 1 1.938 . . 2 . . . . . . . . 623 1
76 . 1 1 13 13 PRO HG2 H 1 2.03 . . 1 . . . . . . . . 623 1
77 . 1 1 13 13 PRO HG3 H 1 2.03 . . 1 . . . . . . . . 623 1
78 . 1 1 13 13 PRO HD2 H 1 3.847 . . 2 . . . . . . . . 623 1
79 . 1 1 13 13 PRO HD3 H 1 3.734 . . 2 . . . . . . . . 623 1
80 . 1 1 14 14 MET H H 1 8.359 . . 1 . . . . . . . . 623 1
81 . 1 1 14 14 MET HA H 1 4.42 . . 1 . . . . . . . . 623 1
82 . 1 1 14 14 MET HB2 H 1 2.074 . . 2 . . . . . . . . 623 1
83 . 1 1 14 14 MET HB3 H 1 1.955 . . 2 . . . . . . . . 623 1
84 . 1 1 14 14 MET HG2 H 1 2.616 . . 2 . . . . . . . . 623 1
85 . 1 1 14 14 MET HG3 H 1 2.572 . . 2 . . . . . . . . 623 1
86 . 1 1 14 14 MET HE1 H 1 2.112 . . 1 . . . . . . . . 623 1
87 . 1 1 14 14 MET HE2 H 1 2.112 . . 1 . . . . . . . . 623 1
88 . 1 1 14 14 MET HE3 H 1 2.112 . . 1 . . . . . . . . 623 1
89 . 1 1 15 15 ALA H H 1 8.225 . . 1 . . . . . . . . 623 1
90 . 1 1 15 15 ALA HA H 1 4.31 . . 1 . . . . . . . . 623 1
91 . 1 1 15 15 ALA HB1 H 1 1.395 . . 1 . . . . . . . . 623 1
92 . 1 1 15 15 ALA HB2 H 1 1.395 . . 1 . . . . . . . . 623 1
93 . 1 1 15 15 ALA HB3 H 1 1.395 . . 1 . . . . . . . . 623 1
94 . 1 1 16 16 ARG H H 1 8.446 . . 1 . . . . . . . . 623 1
95 . 1 1 16 16 ARG HA H 1 4.332 . . 1 . . . . . . . . 623 1
96 . 1 1 16 16 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 623 1
97 . 1 1 16 16 ARG HB3 H 1 1.7 . . 2 . . . . . . . . 623 1
98 . 1 1 16 16 ARG HG2 H 1 1.686 . . 2 . . . . . . . . 623 1
99 . 1 1 16 16 ARG HG3 H 1 1.671 . . 2 . . . . . . . . 623 1
100 . 1 1 16 16 ARG HD2 H 1 3.218 . . 1 . . . . . . . . 623 1
101 . 1 1 16 16 ARG HD3 H 1 3.218 . . 1 . . . . . . . . 623 1
102 . 1 1 16 16 ARG HE H 1 7.176 . . 1 . . . . . . . . 623 1
103 . 1 1 17 17 ARG H H 1 8.277 . . 1 . . . . . . . . 623 1
104 . 1 1 17 17 ARG HA H 1 4.377 . . 1 . . . . . . . . 623 1
105 . 1 1 17 17 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 623 1
106 . 1 1 17 17 ARG HB3 H 1 1.69 . . 2 . . . . . . . . 623 1
107 . 1 1 17 17 ARG HG2 H 1 1.686 . . 2 . . . . . . . . 623 1
108 . 1 1 17 17 ARG HG3 H 1 1.671 . . 2 . . . . . . . . 623 1
109 . 1 1 17 17 ARG HD2 H 1 3.218 . . 1 . . . . . . . . 623 1
110 . 1 1 17 17 ARG HD3 H 1 3.218 . . 1 . . . . . . . . 623 1
111 . 1 1 17 17 ARG HE H 1 7.176 . . 1 . . . . . . . . 623 1
stop_
save_