###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30451
_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 $chem_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' . . . 30451 1
2 '2D 1H-1H NOESY' . . . 30451 1
3 '2D 1H-13C HSQC' . . . 30451 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 1 1 SER H H 1 7.6250 0.0000 . 1 . . . . A 1 SER H1 . 30451 1
2 . 1 1 1 1 SER HA H 1 4.1360 0.0000 . 1 . . . . A 1 SER HA . 30451 1
3 . 1 1 1 1 SER CA C 13 62.5360 0.0000 . 1 . . . . A 1 SER CA . 30451 1
4 . 1 1 1 1 SER CB C 13 63.3700 0.0000 . 1 . . . . A 1 SER CB . 30451 1
5 . 1 1 2 2 ARG H H 1 8.5210 0.0000 . 1 . . . . A 2 ARG H . 30451 1
6 . 1 1 2 2 ARG HA H 1 4.1940 0.0000 . 1 . . . . A 2 ARG HA . 30451 1
7 . 1 1 2 2 ARG HB2 H 1 1.8080 0.0000 . 1 . . . . A 2 ARG HB2 . 30451 1
8 . 1 1 2 2 ARG HE H 1 7.9540 0.0000 . 1 . . . . A 2 ARG HE . 30451 1
9 . 1 1 2 2 ARG HH21 H 1 7.6560 0.0000 . 1 . . . . A 2 ARG HH21 . 30451 1
10 . 1 1 2 2 ARG CA C 13 56.6150 0.0000 . 1 . . . . A 2 ARG CA . 30451 1
11 . 1 1 2 2 ARG CB C 13 30.5290 0.0000 . 1 . . . . A 2 ARG CB . 30451 1
12 . 1 1 2 2 ARG CD C 13 43.5920 0.0000 . 1 . . . . A 2 ARG CD . 30451 1
13 . 1 1 3 3 PHE H H 1 7.9210 0.0000 . 1 . . . . A 3 PHE H . 30451 1
14 . 1 1 3 3 PHE HA H 1 4.3390 0.0000 . 1 . . . . A 3 PHE HA . 30451 1
15 . 1 1 3 3 PHE HB2 H 1 3.0490 0.0000 . 1 . . . . A 3 PHE HB2 . 30451 1
16 . 1 1 3 3 PHE HD1 H 1 7.3210 0.0000 . 1 . . . . A 3 PHE HD1 . 30451 1
17 . 1 1 3 3 PHE HE1 H 1 7.6720 0.0000 . 1 . . . . A 3 PHE HE1 . 30451 1
18 . 1 1 3 3 PHE CA C 13 59.9640 0.0000 . 1 . . . . A 3 PHE CA . 30451 1
19 . 1 1 3 3 PHE CB C 13 39.1300 0.0000 . 1 . . . . A 3 PHE CB . 30451 1
20 . 1 1 4 4 GLU H H 1 8.0440 0.0000 . 1 . . . . A 4 GLU H . 30451 1
21 . 1 1 4 4 GLU HA H 1 3.7820 0.0000 . 1 . . . . A 4 GLU HA . 30451 1
22 . 1 1 4 4 GLU HB2 H 1 1.7080 0.0000 . 1 . . . . A 4 GLU HB2 . 30451 1
23 . 1 1 4 4 GLU HG2 H 1 2.3580 0.0000 . 1 . . . . A 4 GLU HG2 . 30451 1
24 . 1 1 4 4 GLU CA C 13 58.7840 0.0000 . 1 . . . . A 4 GLU CA . 30451 1
25 . 1 1 4 4 GLU CB C 13 29.1870 0.0000 . 1 . . . . A 4 GLU CB . 30451 1
26 . 1 1 4 4 GLU CG C 13 32.9840 0.0000 . 1 . . . . A 4 GLU CG . 30451 1
27 . 1 1 5 5 LEU H H 1 7.6930 0.0000 . 1 . . . . A 5 LEU H . 30451 1
28 . 1 1 5 5 LEU HA H 1 4.1140 0.0000 . 1 . . . . A 5 LEU HA . 30451 1
29 . 1 1 5 5 LEU HG H 1 1.8060 0.0000 . 1 . . . . A 5 LEU HG . 30451 1
30 . 1 1 5 5 LEU HD11 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD11 . 30451 1
31 . 1 1 5 5 LEU HD12 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD12 . 30451 1
32 . 1 1 5 5 LEU HD13 H 1 0.8590 0.0000 . 1 . . . . A 5 LEU HD13 . 30451 1
33 . 1 1 5 5 LEU HD21 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD21 . 30451 1
34 . 1 1 5 5 LEU HD22 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD22 . 30451 1
35 . 1 1 5 5 LEU HD23 H 1 0.9070 0.0000 . 1 . . . . A 5 LEU HD23 . 30451 1
36 . 1 1 5 5 LEU CA C 13 57.9130 0.0000 . 1 . . . . A 5 LEU CA . 30451 1
37 . 1 1 5 5 LEU CB C 13 41.8620 0.0000 . 1 . . . . A 5 LEU CB . 30451 1
38 . 1 1 5 5 LEU CD1 C 13 23.9100 0.0000 . 1 . . . . A 5 LEU CD1 . 30451 1
39 . 1 1 5 5 LEU CD2 C 13 24.6900 0.0000 . 1 . . . . A 5 LEU CD2 . 30451 1
40 . 1 1 6 6 ILE H H 1 7.5520 0.0000 . 1 . . . . A 6 ILE H . 30451 1
41 . 1 1 6 6 ILE HA H 1 3.8320 0.0000 . 1 . . . . A 6 ILE HA . 30451 1
42 . 1 1 6 6 ILE HB H 1 1.9320 0.0000 . 1 . . . . A 6 ILE HB . 30451 1
43 . 1 1 6 6 ILE HG12 H 1 1.6450 0.0000 . 1 . . . . A 6 ILE HG12 . 30451 1
44 . 1 1 6 6 ILE HD11 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD11 . 30451 1
45 . 1 1 6 6 ILE HD12 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD12 . 30451 1
46 . 1 1 6 6 ILE HD13 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HD13 . 30451 1
47 . 1 1 6 6 ILE CA C 13 64.3410 0.0000 . 1 . . . . A 6 ILE CA . 30451 1
48 . 1 1 6 6 ILE CB C 13 38.1470 0.0000 . 1 . . . . A 6 ILE CB . 30451 1
49 . 1 1 7 7 VAL H H 1 7.7490 0.0000 . 1 . . . . A 7 VAL H . 30451 1
50 . 1 1 7 7 VAL HA H 1 3.9520 0.0000 . 1 . . . . A 7 VAL HA . 30451 1
51 . 1 1 7 7 VAL HB H 1 1.9040 0.0000 . 1 . . . . A 7 VAL HB . 30451 1
52 . 1 1 7 7 VAL HG11 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG11 . 30451 1
53 . 1 1 7 7 VAL HG12 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG12 . 30451 1
54 . 1 1 7 7 VAL HG13 H 1 0.8960 0.0000 . 1 . . . . A 7 VAL HG13 . 30451 1
55 . 1 1 7 7 VAL HG21 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG21 . 30451 1
56 . 1 1 7 7 VAL HG22 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG22 . 30451 1
57 . 1 1 7 7 VAL HG23 H 1 0.8210 0.0000 . 1 . . . . A 7 VAL HG23 . 30451 1
58 . 1 1 7 7 VAL CA C 13 63.3940 0.0000 . 1 . . . . A 7 VAL CA . 30451 1
59 . 1 1 7 7 VAL CB C 13 31.3530 0.0000 . 1 . . . . A 7 VAL CB . 30451 1
60 . 1 1 7 7 VAL CG1 C 13 21.2970 0.0000 . 1 . . . . A 7 VAL CG1 . 30451 1
61 . 1 1 7 7 VAL CG2 C 13 22.0080 0.0000 . 1 . . . . A 7 VAL CG2 . 30451 1
62 . 1 1 8 8 HIS H H 1 7.9930 0.0000 . 1 . . . . A 8 HIS H . 30451 1
63 . 1 1 8 8 HIS HA H 1 4.5370 0.0000 . 1 . . . . A 8 HIS HA . 30451 1
64 . 1 1 8 8 HIS HD1 H 1 7.3490 0.0000 . 1 . . . . A 8 HIS HD1 . 30451 1
65 . 1 1 8 8 HIS HE1 H 1 8.6270 0.0000 . 1 . . . . A 8 HIS HE1 . 30451 1
66 . 1 1 8 8 HIS CA C 13 57.2570 0.0000 . 1 . . . . A 8 HIS CA . 30451 1
67 . 1 1 8 8 HIS CB C 13 28.3320 0.0000 . 1 . . . . A 8 HIS CB . 30451 1
68 . 1 1 9 9 GLN H H 1 8.0790 0.0000 . 1 . . . . A 9 GLN H . 30451 1
69 . 1 1 9 9 GLN HA H 1 4.2330 0.0000 . 1 . . . . A 9 GLN HA . 30451 1
70 . 1 1 9 9 GLN HB2 H 1 2.0750 0.0000 . 1 . . . . A 9 GLN HB2 . 30451 1
71 . 1 1 9 9 GLN CA C 13 57.3010 0.0000 . 1 . . . . A 9 GLN CA . 30451 1
72 . 1 1 9 9 GLN CB C 13 28.4140 0.0000 . 1 . . . . A 9 GLN CB . 30451 1
73 . 1 1 9 9 GLN CG C 13 33.2060 0.0000 . 1 . . . . A 9 GLN CG . 30451 1
74 . 1 1 10 10 ARG HA H 1 4.2010 0.0000 . 1 . . . . A 10 ARG HA . 30451 1
75 . 1 1 10 10 ARG HB2 H 1 1.9330 0.0000 . 1 . . . . A 10 ARG HB2 . 30451 1
76 . 1 1 10 10 ARG HG2 H 1 1.7040 0.0000 . 1 . . . . A 10 ARG HG2 . 30451 1
77 . 1 1 10 10 ARG HD2 H 1 3.1290 0.0000 . 1 . . . . A 10 ARG HD2 . 30451 1
78 . 1 1 10 10 ARG CA C 13 56.2790 0.0000 . 1 . . . . A 10 ARG CA . 30451 1
79 . 1 1 10 10 ARG CB C 13 36.1390 0.0000 . 1 . . . . A 10 ARG CB . 30451 1
80 . 1 1 10 10 ARG CG C 13 27.2200 0.0000 . 1 . . . . A 10 ARG CG . 30451 1
81 . 1 1 10 10 ARG CD C 13 43.2460 0.0000 . 1 . . . . A 10 ARG CD . 30451 1
82 . 1 1 11 11 NH2 HN1 H 1 7.8460 0.0000 . 1 . . . . A 11 NH2 HN1 . 30451 1
stop_
save_