###################################
# 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_csr_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode csr_1
_Assigned_chem_shift_list.Entry_ID 6437
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions
_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 $sample_1 . 6437 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 4.14 0.01 . 1 . . . . . . . . 6437 1
2 . 1 1 1 1 PHE HB2 H 1 2.92 0.01 . 1 . . . . . . . . 6437 1
3 . 1 1 1 1 PHE HB3 H 1 2.92 0.01 . 1 . . . . . . . . 6437 1
4 . 1 1 1 1 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 6437 1
5 . 1 1 1 1 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 6437 1
6 . 1 1 1 1 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 6437 1
7 . 1 1 1 1 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 6437 1
8 . 1 1 1 1 PHE HZ H 1 7.20 0.01 . 1 . . . . . . . . 6437 1
9 . 1 1 2 2 GLN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 1
10 . 1 1 2 2 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 1
11 . 1 1 2 2 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6437 1
12 . 1 1 2 2 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 1
13 . 1 1 2 2 GLN HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6437 1
14 . 1 1 2 2 GLN HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6437 1
15 . 1 1 2 2 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6437 1
16 . 1 1 2 2 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 6437 1
17 . 1 1 3 3 TRP H H 1 8.14 0.01 . 1 . . . . . . . . 6437 1
18 . 1 1 3 3 TRP HA H 1 4.55 0.01 . 1 . . . . . . . . 6437 1
19 . 1 1 3 3 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . 6437 1
20 . 1 1 3 3 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . 6437 1
21 . 1 1 3 3 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 6437 1
22 . 1 1 3 3 TRP HE1 H 1 10.13 0.01 . 1 . . . . . . . . 6437 1
23 . 1 1 3 3 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 6437 1
24 . 1 1 3 3 TRP HZ2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 1
25 . 1 1 3 3 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 6437 1
26 . 1 1 3 3 TRP HH2 H 1 7.17 0.01 . 1 . . . . . . . . 6437 1
27 . 1 1 4 4 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6437 1
28 . 1 1 4 4 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 6437 1
29 . 1 1 4 4 GLN HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6437 1
30 . 1 1 4 4 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 1
31 . 1 1 4 4 GLN HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6437 1
32 . 1 1 4 4 GLN HG3 H 1 2.05 0.01 . 2 . . . . . . . . 6437 1
33 . 1 1 4 4 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 6437 1
34 . 1 1 4 4 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 6437 1
35 . 1 1 5 5 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 6437 1
36 . 1 1 5 5 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 1
37 . 1 1 5 5 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6437 1
38 . 1 1 5 5 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6437 1
39 . 1 1 5 5 ARG HG2 H 1 1.57 0.01 . 2 . . . . . . . . 6437 1
40 . 1 1 5 5 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 6437 1
41 . 1 1 5 5 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 6437 1
42 . 1 1 5 5 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 6437 1
43 . 1 1 5 5 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 1
44 . 1 1 6 6 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 1
45 . 1 1 6 6 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6437 1
46 . 1 1 6 6 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 6437 1
47 . 1 1 6 6 ASN HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6437 1
48 . 1 1 6 6 ASN HD21 H 1 7.57 0.01 . 2 . . . . . . . . 6437 1
49 . 1 1 6 6 ASN HD22 H 1 6.87 0.01 . 2 . . . . . . . . 6437 1
50 . 1 1 7 7 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6437 1
51 . 1 1 7 7 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 1
52 . 1 1 7 7 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 6437 1
53 . 1 1 7 7 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 6437 1
54 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6437 1
55 . 1 1 7 7 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1
56 . 1 1 7 7 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1
57 . 1 1 7 7 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1
58 . 1 1 7 7 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1
59 . 1 1 7 7 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1
60 . 1 1 7 7 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1
61 . 1 1 8 8 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 6437 1
62 . 1 1 8 8 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 1
63 . 1 1 8 8 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 1
64 . 1 1 8 8 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6437 1
65 . 1 1 8 8 ARG HG2 H 1 1.61 0.01 . 2 . . . . . . . . 6437 1
66 . 1 1 8 8 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6437 1
67 . 1 1 8 8 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6437 1
68 . 1 1 8 8 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6437 1
69 . 1 1 8 8 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 1
70 . 1 1 9 9 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6437 1
71 . 1 1 9 9 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 1
72 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 1
73 . 1 1 9 9 LYS HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6437 1
74 . 1 1 9 9 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 6437 1
75 . 1 1 9 9 LYS HG3 H 1 1.34 0.01 . 2 . . . . . . . . 6437 1
76 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6437 1
77 . 1 1 9 9 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6437 1
78 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6437 1
79 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6437 1
80 . 1 1 9 9 LYS HZ1 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1
81 . 1 1 9 9 LYS HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1
82 . 1 1 9 9 LYS HZ3 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1
83 . 1 1 10 10 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 6437 1
84 . 1 1 10 10 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6437 1
85 . 1 1 10 10 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 6437 1
86 . 1 1 10 10 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
87 . 1 1 10 10 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
88 . 1 1 10 10 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
89 . 1 1 10 10 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
90 . 1 1 10 10 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
91 . 1 1 10 10 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1
92 . 1 1 11 11 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 6437 1
93 . 1 1 11 11 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 6437 1
94 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 1
95 . 1 1 11 11 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6437 1
96 . 1 1 11 11 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6437 1
97 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6437 1
98 . 1 1 11 11 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 6437 1
99 . 1 1 11 11 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 6437 1
100 . 1 1 11 11 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 6437 1
stop_
save_
###################################
# 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_csr_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode csr_2
_Assigned_chem_shift_list.Entry_ID 6437
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions
_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
. . 2 $sample_2 . 6437 2
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 4.14 0.01 . 1 . . . . . . . . 6437 2
2 . 1 1 1 1 PHE HB2 H 1 2.92 0.01 . 1 . . . . . . . . 6437 2
3 . 1 1 1 1 PHE HB3 H 1 2.92 0.01 . 1 . . . . . . . . 6437 2
4 . 1 1 1 1 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 6437 2
5 . 1 1 1 1 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 6437 2
6 . 1 1 1 1 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 6437 2
7 . 1 1 1 1 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 6437 2
8 . 1 1 1 1 PHE HZ H 1 7.20 0.01 . 1 . . . . . . . . 6437 2
9 . 1 1 2 2 GLN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 2
10 . 1 1 2 2 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 2
11 . 1 1 2 2 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6437 2
12 . 1 1 2 2 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 2
13 . 1 1 2 2 GLN HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6437 2
14 . 1 1 2 2 GLN HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6437 2
15 . 1 1 2 2 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6437 2
16 . 1 1 2 2 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 6437 2
17 . 1 1 3 3 TRP H H 1 8.14 0.01 . 1 . . . . . . . . 6437 2
18 . 1 1 3 3 TRP HA H 1 4.55 0.01 . 1 . . . . . . . . 6437 2
19 . 1 1 3 3 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . 6437 2
20 . 1 1 3 3 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . 6437 2
21 . 1 1 3 3 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 6437 2
22 . 1 1 3 3 TRP HE1 H 1 10.13 0.01 . 1 . . . . . . . . 6437 2
23 . 1 1 3 3 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 6437 2
24 . 1 1 3 3 TRP HZ2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 2
25 . 1 1 3 3 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 6437 2
26 . 1 1 3 3 TRP HH2 H 1 7.17 0.01 . 1 . . . . . . . . 6437 2
27 . 1 1 4 4 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6437 2
28 . 1 1 4 4 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 6437 2
29 . 1 1 4 4 GLN HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6437 2
30 . 1 1 4 4 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 2
31 . 1 1 4 4 GLN HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6437 2
32 . 1 1 4 4 GLN HG3 H 1 2.05 0.01 . 2 . . . . . . . . 6437 2
33 . 1 1 4 4 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 6437 2
34 . 1 1 4 4 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 6437 2
35 . 1 1 5 5 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 6437 2
36 . 1 1 5 5 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 2
37 . 1 1 5 5 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6437 2
38 . 1 1 5 5 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6437 2
39 . 1 1 5 5 ARG HG2 H 1 1.57 0.01 . 2 . . . . . . . . 6437 2
40 . 1 1 5 5 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 6437 2
41 . 1 1 5 5 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 6437 2
42 . 1 1 5 5 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 6437 2
43 . 1 1 5 5 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 2
44 . 1 1 6 6 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 2
45 . 1 1 6 6 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6437 2
46 . 1 1 6 6 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 6437 2
47 . 1 1 6 6 ASN HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6437 2
48 . 1 1 6 6 ASN HD21 H 1 7.57 0.01 . 2 . . . . . . . . 6437 2
49 . 1 1 6 6 ASN HD22 H 1 6.87 0.01 . 2 . . . . . . . . 6437 2
50 . 1 1 7 7 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6437 2
51 . 1 1 7 7 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 2
52 . 1 1 7 7 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 6437 2
53 . 1 1 7 7 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 6437 2
54 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6437 2
55 . 1 1 7 7 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2
56 . 1 1 7 7 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2
57 . 1 1 7 7 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2
58 . 1 1 7 7 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2
59 . 1 1 7 7 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2
60 . 1 1 7 7 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2
61 . 1 1 8 8 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 6437 2
62 . 1 1 8 8 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 2
63 . 1 1 8 8 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 2
64 . 1 1 8 8 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6437 2
65 . 1 1 8 8 ARG HG2 H 1 1.61 0.01 . 2 . . . . . . . . 6437 2
66 . 1 1 8 8 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6437 2
67 . 1 1 8 8 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6437 2
68 . 1 1 8 8 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6437 2
69 . 1 1 8 8 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 2
70 . 1 1 9 9 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6437 2
71 . 1 1 9 9 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 2
72 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 2
73 . 1 1 9 9 LYS HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6437 2
74 . 1 1 9 9 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 6437 2
75 . 1 1 9 9 LYS HG3 H 1 1.34 0.01 . 2 . . . . . . . . 6437 2
76 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6437 2
77 . 1 1 9 9 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6437 2
78 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6437 2
79 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6437 2
80 . 1 1 9 9 LYS HZ1 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2
81 . 1 1 9 9 LYS HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2
82 . 1 1 9 9 LYS HZ3 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2
83 . 1 1 10 10 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 6437 2
84 . 1 1 10 10 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6437 2
85 . 1 1 10 10 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 6437 2
86 . 1 1 10 10 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
87 . 1 1 10 10 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
88 . 1 1 10 10 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
89 . 1 1 10 10 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
90 . 1 1 10 10 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
91 . 1 1 10 10 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2
92 . 1 1 11 11 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 6437 2
93 . 1 1 11 11 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 6437 2
94 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 2
95 . 1 1 11 11 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6437 2
96 . 1 1 11 11 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6437 2
97 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6437 2
98 . 1 1 11 11 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 6437 2
99 . 1 1 11 11 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 6437 2
100 . 1 1 11 11 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 6437 2
stop_
save_
###################################
# 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_csr_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode csr_3
_Assigned_chem_shift_list.Entry_ID 6437
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions
_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
. . 3 $sample_3 . 6437 3
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 4.26 0.01 . 1 . . . . . . . . 6437 3
2 . 1 1 1 1 PHE HB2 H 1 3.09 0.01 . 2 . . . . . . . . 6437 3
3 . 1 1 1 1 PHE HB3 H 1 2.95 0.01 . 2 . . . . . . . . 6437 3
4 . 1 1 1 1 PHE HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6437 3
5 . 1 1 1 1 PHE HD2 H 1 7.14 0.01 . 1 . . . . . . . . 6437 3
6 . 1 1 1 1 PHE HE1 H 1 7.21 0.01 . 1 . . . . . . . . 6437 3
7 . 1 1 1 1 PHE HE2 H 1 7.21 0.01 . 1 . . . . . . . . 6437 3
8 . 1 1 2 2 GLN H H 1 8.03 0.01 . 1 . . . . . . . . 6437 3
9 . 1 1 2 2 GLN HA H 1 4.45 0.01 . 1 . . . . . . . . 6437 3
10 . 1 1 2 2 GLN HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6437 3
11 . 1 1 2 2 GLN HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6437 3
12 . 1 1 2 2 GLN HG2 H 1 2.25 0.01 . 1 . . . . . . . . 6437 3
13 . 1 1 2 2 GLN HG3 H 1 2.25 0.01 . 1 . . . . . . . . 6437 3
14 . 1 1 2 2 GLN HE21 H 1 6.78 0.01 . 2 . . . . . . . . 6437 3
15 . 1 1 2 2 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 6437 3
16 . 1 1 3 3 TRP H H 1 8.03 0.01 . 1 . . . . . . . . 6437 3
17 . 1 1 3 3 TRP HA H 1 4.73 0.01 . 1 . . . . . . . . 6437 3
18 . 1 1 3 3 TRP HB2 H 1 3.23 0.01 . 2 . . . . . . . . 6437 3
19 . 1 1 3 3 TRP HB3 H 1 3.40 0.01 . 2 . . . . . . . . 6437 3
20 . 1 1 3 3 TRP HD1 H 1 7.40 0.01 . 1 . . . . . . . . 6437 3
21 . 1 1 3 3 TRP HE1 H 1 9.93 0.01 . 1 . . . . . . . . 6437 3
22 . 1 1 3 3 TRP HE3 H 1 7.69 0.01 . 1 . . . . . . . . 6437 3
23 . 1 1 3 3 TRP HZ2 H 1 7.58 0.01 . 1 . . . . . . . . 6437 3
24 . 1 1 3 3 TRP HZ3 H 1 7.04 0.01 . 1 . . . . . . . . 6437 3
25 . 1 1 3 3 TRP HH2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 3
26 . 1 1 4 4 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 6437 3
27 . 1 1 4 4 GLN HA H 1 4.31 0.01 . 1 . . . . . . . . 6437 3
28 . 1 1 4 4 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6437 3
29 . 1 1 4 4 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3
30 . 1 1 4 4 GLN HG2 H 1 2.26 0.01 . 1 . . . . . . . . 6437 3
31 . 1 1 4 4 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 6437 3
32 . 1 1 4 4 GLN HE21 H 1 6.76 0.01 . 2 . . . . . . . . 6437 3
33 . 1 1 4 4 GLN HE22 H 1 7.41 0.01 . 2 . . . . . . . . 6437 3
34 . 1 1 5 5 ARG H H 1 7.18 0.01 . 1 . . . . . . . . 6437 3
35 . 1 1 5 5 ARG HA H 1 4.11 0.01 . 1 . . . . . . . . 6437 3
36 . 1 1 5 5 ARG HB2 H 1 1.71 0.01 . 2 . . . . . . . . 6437 3
37 . 1 1 5 5 ARG HB3 H 1 1.50 0.01 . 2 . . . . . . . . 6437 3
38 . 1 1 5 5 ARG HG2 H 1 1.30 0.01 . 1 . . . . . . . . 6437 3
39 . 1 1 5 5 ARG HG3 H 1 1.30 0.01 . 1 . . . . . . . . 6437 3
40 . 1 1 5 5 ARG HD2 H 1 2.97 0.01 . 1 . . . . . . . . 6437 3
41 . 1 1 5 5 ARG HD3 H 1 2.97 0.01 . 1 . . . . . . . . 6437 3
42 . 1 1 5 5 ARG HE H 1 6.93 0.01 . 1 . . . . . . . . 6437 3
43 . 1 1 6 6 ASN H H 1 8.21 0.01 . 1 . . . . . . . . 6437 3
44 . 1 1 6 6 ASN HA H 1 4.80 0.01 . 1 . . . . . . . . 6437 3
45 . 1 1 6 6 ASN HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6437 3
46 . 1 1 6 6 ASN HB3 H 1 2.71 0.01 . 2 . . . . . . . . 6437 3
47 . 1 1 6 6 ASN HD21 H 1 6.78 0.01 . 2 . . . . . . . . 6437 3
48 . 1 1 6 6 ASN HD22 H 1 7.46 0.01 . 2 . . . . . . . . 6437 3
49 . 1 1 7 7 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 6437 3
50 . 1 1 7 7 ILE HA H 1 4.03 0.01 . 1 . . . . . . . . 6437 3
51 . 1 1 7 7 ILE HB H 1 2.03 0.01 . 1 . . . . . . . . 6437 3
52 . 1 1 7 7 ILE HG12 H 1 1.65 0.01 . 2 . . . . . . . . 6437 3
53 . 1 1 7 7 ILE HG13 H 1 1.31 0.01 . 2 . . . . . . . . 6437 3
54 . 1 1 7 7 ILE HG21 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3
55 . 1 1 7 7 ILE HG22 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3
56 . 1 1 7 7 ILE HG23 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3
57 . 1 1 7 7 ILE HD11 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3
58 . 1 1 7 7 ILE HD12 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3
59 . 1 1 7 7 ILE HD13 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3
60 . 1 1 8 8 ARG H H 1 7.95 0.01 . 1 . . . . . . . . 6437 3
61 . 1 1 8 8 ARG HA H 1 4.22 0.01 . 1 . . . . . . . . 6437 3
62 . 1 1 8 8 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 3
63 . 1 1 8 8 ARG HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3
64 . 1 1 8 8 ARG HG2 H 1 1.70 0.01 . 1 . . . . . . . . 6437 3
65 . 1 1 8 8 ARG HG3 H 1 1.70 0.01 . 1 . . . . . . . . 6437 3
66 . 1 1 8 8 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3
67 . 1 1 8 8 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3
68 . 1 1 8 8 ARG HE H 1 7.12 0.01 . 1 . . . . . . . . 6437 3
69 . 1 1 9 9 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 6437 3
70 . 1 1 9 9 LYS HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 3
71 . 1 1 9 9 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 6437 3
72 . 1 1 9 9 LYS HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3
73 . 1 1 9 9 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 6437 3
74 . 1 1 9 9 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 6437 3
75 . 1 1 9 9 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3
76 . 1 1 9 9 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3
77 . 1 1 9 9 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 6437 3
78 . 1 1 9 9 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 6437 3
79 . 1 1 9 9 LYS HZ1 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3
80 . 1 1 9 9 LYS HZ2 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3
81 . 1 1 9 9 LYS HZ3 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3
82 . 1 1 10 10 VAL H H 1 7.87 0.01 . 1 . . . . . . . . 6437 3
83 . 1 1 10 10 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 6437 3
84 . 1 1 10 10 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 6437 3
85 . 1 1 10 10 VAL HG11 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3
86 . 1 1 10 10 VAL HG12 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3
87 . 1 1 10 10 VAL HG13 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3
88 . 1 1 10 10 VAL HG21 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3
89 . 1 1 10 10 VAL HG22 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3
90 . 1 1 10 10 VAL HG23 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3
91 . 1 1 11 11 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 6437 3
92 . 1 1 11 11 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 6437 3
93 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 3
94 . 1 1 11 11 ARG HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6437 3
95 . 1 1 11 11 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3
96 . 1 1 11 11 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3
97 . 1 1 11 11 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3
98 . 1 1 11 11 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3
99 . 1 1 11 11 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 6437 3
stop_
save_