###################################
# 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 30482
_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' . . . 30482 1
2 '2D 1H-1H NOESY' . . . 30482 1
3 '2D 1H-13C HSQC' . . . 30482 1
4 '2D 1H-13C HMQC' . . . 30482 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 ILE H H 1 7.9660 . . 1 . . . . A 1 ILE H1 . 30482 1
2 . 1 1 1 1 ILE HA H 1 4.7710 . . 1 . . . . A 1 ILE HA . 30482 1
3 . 1 1 1 1 ILE HB H 1 1.8770 . . 1 . . . . A 1 ILE HB . 30482 1
4 . 1 1 1 1 ILE HG12 H 1 1.4560 . . 1 . . . . A 1 ILE HG12 . 30482 1
5 . 1 1 1 1 ILE N N 15 118.7500 . . 1 . . . . A 1 ILE N . 30482 1
6 . 1 1 2 2 ASN H H 1 8.3590 . . 1 . . . . A 2 ASN H . 30482 1
7 . 1 1 2 2 ASN HA H 1 4.9560 . . 1 . . . . A 2 ASN HA . 30482 1
8 . 1 1 2 2 ASN HB2 H 1 3.1090 . . 1 . . . . A 2 ASN HB2 . 30482 1
9 . 1 1 2 2 ASN HB3 H 1 2.8010 . . 1 . . . . A 2 ASN HB3 . 30482 1
10 . 1 1 2 2 ASN HD21 H 1 7.5200 . . 1 . . . . A 2 ASN HD21 . 30482 1
11 . 1 1 2 2 ASN HD22 H 1 6.9290 . . 1 . . . . A 2 ASN HD22 . 30482 1
12 . 1 1 2 2 ASN CA C 13 51.8950 . . 1 . . . . A 2 ASN CA . 30482 1
13 . 1 1 2 2 ASN CB C 13 38.5090 . . 1 . . . . A 2 ASN CB . 30482 1
14 . 1 1 2 2 ASN N N 15 123.7750 . . 1 . . . . A 2 ASN N . 30482 1
15 . 1 1 2 2 ASN ND2 N 15 112.3360 . . 1 . . . . A 2 ASN ND2 . 30482 1
16 . 1 1 3 3 LEU H H 1 8.4950 . . 1 . . . . A 3 LEU H . 30482 1
17 . 1 1 3 3 LEU HA H 1 4.0170 . . 1 . . . . A 3 LEU HA . 30482 1
18 . 1 1 3 3 LEU HB2 H 1 1.8800 . . 1 . . . . A 3 LEU HB2 . 30482 1
19 . 1 1 3 3 LEU HB3 H 1 1.7950 . . 1 . . . . A 3 LEU HB3 . 30482 1
20 . 1 1 3 3 LEU HG H 1 1.5460 . . 1 . . . . A 3 LEU HG . 30482 1
21 . 1 1 3 3 LEU HD11 H 1 0.9820 . . 1 . . . . A 3 LEU HD11 . 30482 1
22 . 1 1 3 3 LEU HD12 H 1 0.9820 . . 1 . . . . A 3 LEU HD12 . 30482 1
23 . 1 1 3 3 LEU HD13 H 1 0.9820 . . 1 . . . . A 3 LEU HD13 . 30482 1
24 . 1 1 3 3 LEU HD21 H 1 0.8610 . . 1 . . . . A 3 LEU HD21 . 30482 1
25 . 1 1 3 3 LEU HD22 H 1 0.8610 . . 1 . . . . A 3 LEU HD22 . 30482 1
26 . 1 1 3 3 LEU HD23 H 1 0.8610 . . 1 . . . . A 3 LEU HD23 . 30482 1
27 . 1 1 3 3 LEU CA C 13 58.0450 . . 1 . . . . A 3 LEU CA . 30482 1
28 . 1 1 3 3 LEU CB C 13 41.9620 . . 1 . . . . A 3 LEU CB . 30482 1
29 . 1 1 3 3 LEU N N 15 124.4140 . . 1 . . . . A 3 LEU N . 30482 1
30 . 1 1 4 4 LYS H H 1 8.1230 . . 1 . . . . A 4 LYS H . 30482 1
31 . 1 1 4 4 LYS HA H 1 3.9490 . . 1 . . . . A 4 LYS HA . 30482 1
32 . 1 1 4 4 LYS HB2 H 1 1.8690 . . 1 . . . . A 4 LYS HB2 . 30482 1
33 . 1 1 4 4 LYS HB3 H 1 1.7530 . . 1 . . . . A 4 LYS HB3 . 30482 1
34 . 1 1 4 4 LYS HG3 H 1 1.6120 . . 1 . . . . A 4 LYS HG3 . 30482 1
35 . 1 1 4 4 LYS HD2 H 1 1.4120 . . 1 . . . . A 4 LYS HD2 . 30482 1
36 . 1 1 4 4 LYS HD3 H 1 1.4500 . . 1 . . . . A 4 LYS HD3 . 30482 1
37 . 1 1 4 4 LYS HE2 H 1 3.0040 . . 2 . . . . A 4 LYS HE2 . 30482 1
38 . 1 1 4 4 LYS HE3 H 1 3.0120 . . 1 . . . . A 4 LYS HE3 . 30482 1
39 . 1 1 4 4 LYS HZ1 H 1 7.4120 . . 1 . . . . A 4 LYS HZ1 . 30482 1
40 . 1 1 4 4 LYS HZ2 H 1 7.4120 . . 1 . . . . A 4 LYS HZ2 . 30482 1
41 . 1 1 4 4 LYS HZ3 H 1 7.4120 . . 1 . . . . A 4 LYS HZ3 . 30482 1
42 . 1 1 4 4 LYS CA C 13 59.9500 . . 1 . . . . A 4 LYS CA . 30482 1
43 . 1 1 4 4 LYS N N 15 118.0190 . . 1 . . . . A 4 LYS N . 30482 1
44 . 1 1 5 5 ALA H H 1 7.6970 . . 1 . . . . A 5 ALA H . 30482 1
45 . 1 1 5 5 ALA HA H 1 4.1540 . . 1 . . . . A 5 ALA HA . 30482 1
46 . 1 1 5 5 ALA HB1 H 1 1.4580 . . 1 . . . . A 5 ALA HB1 . 30482 1
47 . 1 1 5 5 ALA HB2 H 1 1.4580 . . 1 . . . . A 5 ALA HB2 . 30482 1
48 . 1 1 5 5 ALA HB3 H 1 1.4580 . . 1 . . . . A 5 ALA HB3 . 30482 1
49 . 1 1 5 5 ALA CA C 13 54.6700 . . 1 . . . . A 5 ALA CA . 30482 1
50 . 1 1 5 5 ALA N N 15 122.2700 . . 1 . . . . A 5 ALA N . 30482 1
51 . 1 1 6 6 LEU H H 1 7.7230 . . 1 . . . . A 6 LEU H . 30482 1
52 . 1 1 6 6 LEU HA H 1 4.0920 . . 1 . . . . A 6 LEU HA . 30482 1
53 . 1 1 6 6 LEU HB2 H 1 1.8210 . . 1 . . . . A 6 LEU HB2 . 30482 1
54 . 1 1 6 6 LEU HB3 H 1 1.8210 . . 1 . . . . A 6 LEU HB3 . 30482 1
55 . 1 1 6 6 LEU HG H 1 1.6600 . . 1 . . . . A 6 LEU HG . 30482 1
56 . 1 1 6 6 LEU HD11 H 1 0.8960 . . 1 . . . . A 6 LEU HD11 . 30482 1
57 . 1 1 6 6 LEU HD12 H 1 0.8960 . . 1 . . . . A 6 LEU HD12 . 30482 1
58 . 1 1 6 6 LEU HD13 H 1 0.8960 . . 1 . . . . A 6 LEU HD13 . 30482 1
59 . 1 1 6 6 LEU CA C 13 57.8260 . . 1 . . . . A 6 LEU CA . 30482 1
60 . 1 1 6 6 LEU N N 15 119.5740 . . 1 . . . . A 6 LEU N . 30482 1
61 . 1 1 7 7 ALA H H 1 8.2910 . . 1 . . . . A 7 ALA H . 30482 1
62 . 1 1 7 7 ALA HA H 1 3.9400 . . 1 . . . . A 7 ALA HA . 30482 1
63 . 1 1 7 7 ALA HB1 H 1 1.4900 . . 1 . . . . A 7 ALA HB1 . 30482 1
64 . 1 1 7 7 ALA HB2 H 1 1.4900 . . 1 . . . . A 7 ALA HB2 . 30482 1
65 . 1 1 7 7 ALA HB3 H 1 1.4900 . . 1 . . . . A 7 ALA HB3 . 30482 1
66 . 1 1 7 7 ALA CA C 13 55.3500 . . 1 . . . . A 7 ALA CA . 30482 1
67 . 1 1 7 7 ALA N N 15 120.9460 . . 1 . . . . A 7 ALA N . 30482 1
68 . 1 1 8 8 ALA H H 1 7.7080 . . 1 . . . . A 8 ALA H . 30482 1
69 . 1 1 8 8 ALA HA H 1 4.0330 . . 1 . . . . A 8 ALA HA . 30482 1
70 . 1 1 8 8 ALA HB1 H 1 1.4790 . . 1 . . . . A 8 ALA HB1 . 30482 1
71 . 1 1 8 8 ALA HB2 H 1 1.4790 . . 1 . . . . A 8 ALA HB2 . 30482 1
72 . 1 1 8 8 ALA HB3 H 1 1.4790 . . 1 . . . . A 8 ALA HB3 . 30482 1
73 . 1 1 8 8 ALA CA C 13 55.1470 . . 1 . . . . A 8 ALA CA . 30482 1
74 . 1 1 8 8 ALA N N 15 118.7100 . . 1 . . . . A 8 ALA N . 30482 1
75 . 1 1 9 9 LEU H H 1 7.7120 . . 1 . . . . A 9 LEU H . 30482 1
76 . 1 1 9 9 LEU HA H 1 4.1010 . . 1 . . . . A 9 LEU HA . 30482 1
77 . 1 1 9 9 LEU HB2 H 1 1.8380 . . 1 . . . . A 9 LEU HB2 . 30482 1
78 . 1 1 9 9 LEU HB3 H 1 1.7590 . . 1 . . . . A 9 LEU HB3 . 30482 1
79 . 1 1 9 9 LEU HG H 1 1.6600 . . 1 . . . . A 9 LEU HG . 30482 1
80 . 1 1 9 9 LEU HD11 H 1 0.9220 . . 1 . . . . A 9 LEU HD11 . 30482 1
81 . 1 1 9 9 LEU HD12 H 1 0.9220 . . 1 . . . . A 9 LEU HD12 . 30482 1
82 . 1 1 9 9 LEU HD13 H 1 0.9220 . . 1 . . . . A 9 LEU HD13 . 30482 1
83 . 1 1 9 9 LEU HD21 H 1 0.8780 . . 1 . . . . A 9 LEU HD21 . 30482 1
84 . 1 1 9 9 LEU HD22 H 1 0.8780 . . 1 . . . . A 9 LEU HD22 . 30482 1
85 . 1 1 9 9 LEU HD23 H 1 0.8780 . . 1 . . . . A 9 LEU HD23 . 30482 1
86 . 1 1 9 9 LEU CA C 13 57.8620 . . 1 . . . . A 9 LEU CA . 30482 1
87 . 1 1 9 9 LEU N N 15 119.0330 . . 1 . . . . A 9 LEU N . 30482 1
88 . 1 1 10 10 ALA H H 1 8.3460 . . 1 . . . . A 10 ALA H . 30482 1
89 . 1 1 10 10 ALA HA H 1 3.9000 . . 1 . . . . A 10 ALA HA . 30482 1
90 . 1 1 10 10 ALA HB1 H 1 1.4530 . . 1 . . . . A 10 ALA HB1 . 30482 1
91 . 1 1 10 10 ALA HB2 H 1 1.4530 . . 1 . . . . A 10 ALA HB2 . 30482 1
92 . 1 1 10 10 ALA HB3 H 1 1.4530 . . 1 . . . . A 10 ALA HB3 . 30482 1
93 . 1 1 10 10 ALA CA C 13 55.3920 . . 1 . . . . A 10 ALA CA . 30482 1
94 . 1 1 10 10 ALA N N 15 120.7140 . . 1 . . . . A 10 ALA N . 30482 1
95 . 1 1 11 11 LYS H H 1 7.9480 . . 1 . . . . A 11 LYS H . 30482 1
96 . 1 1 11 11 LYS HA H 1 3.9140 . . 1 . . . . A 11 LYS HA . 30482 1
97 . 1 1 11 11 LYS HB2 H 1 1.9140 . . 1 . . . . A 11 LYS HB2 . 30482 1
98 . 1 1 11 11 LYS HB3 H 1 1.8280 . . 1 . . . . A 11 LYS HB3 . 30482 1
99 . 1 1 11 11 LYS HG2 H 1 1.6640 . . 1 . . . . A 11 LYS HG2 . 30482 1
100 . 1 1 11 11 LYS HG3 H 1 1.6570 . . 1 . . . . A 11 LYS HG3 . 30482 1
101 . 1 1 11 11 LYS HE2 H 1 2.9480 . . 1 . . . . A 11 LYS HE2 . 30482 1
102 . 1 1 11 11 LYS HE3 H 1 2.9320 . . 1 . . . . A 11 LYS HE3 . 30482 1
103 . 1 1 11 11 LYS HZ1 H 1 7.4340 . . 1 . . . . A 11 LYS HZ1 . 30482 1
104 . 1 1 11 11 LYS HZ2 H 1 7.4340 . . 1 . . . . A 11 LYS HZ2 . 30482 1
105 . 1 1 11 11 LYS HZ3 H 1 7.4340 . . 1 . . . . A 11 LYS HZ3 . 30482 1
106 . 1 1 11 11 LYS CA C 13 59.2100 . . 1 . . . . A 11 LYS CA . 30482 1
107 . 1 1 11 11 LYS CB C 13 32.2450 . . 1 . . . . A 11 LYS CB . 30482 1
108 . 1 1 11 11 LYS CG C 13 25.8300 . . 1 . . . . A 11 LYS CG . 30482 1
109 . 1 1 11 11 LYS N N 15 114.3400 . . 1 . . . . A 11 LYS N . 30482 1
110 . 1 1 12 12 LYS H H 1 7.5370 . . 1 . . . . A 12 LYS H . 30482 1
111 . 1 1 12 12 LYS HA H 1 4.1460 . . 1 . . . . A 12 LYS HA . 30482 1
112 . 1 1 12 12 LYS HB2 H 1 2.0160 . . 1 . . . . A 12 LYS HB2 . 30482 1
113 . 1 1 12 12 LYS HB3 H 1 1.6880 . . 1 . . . . A 12 LYS HB3 . 30482 1
114 . 1 1 12 12 LYS HG2 H 1 1.6420 . . 2 . . . . A 12 LYS HG2 . 30482 1
115 . 1 1 12 12 LYS HG3 H 1 1.6420 . . 2 . . . . A 12 LYS HG3 . 30482 1
116 . 1 1 12 12 LYS HD2 H 1 1.4560 . . 1 . . . . A 12 LYS HD2 . 30482 1
117 . 1 1 12 12 LYS HD3 H 1 1.4640 . . 1 . . . . A 12 LYS HD3 . 30482 1
118 . 1 1 12 12 LYS HE2 H 1 2.9910 . . 1 . . . . A 12 LYS HE2 . 30482 1
119 . 1 1 12 12 LYS HE3 H 1 2.9730 . . 1 . . . . A 12 LYS HE3 . 30482 1
120 . 1 1 12 12 LYS HZ1 H 1 7.4660 . . 1 . . . . A 12 LYS HZ1 . 30482 1
121 . 1 1 12 12 LYS HZ2 H 1 7.4660 . . 1 . . . . A 12 LYS HZ2 . 30482 1
122 . 1 1 12 12 LYS HZ3 H 1 7.4660 . . 1 . . . . A 12 LYS HZ3 . 30482 1
123 . 1 1 12 12 LYS CA C 13 58.3400 . . 1 . . . . A 12 LYS CA . 30482 1
124 . 1 1 12 12 LYS CB C 13 32.9420 . . 1 . . . . A 12 LYS CB . 30482 1
125 . 1 1 12 12 LYS N N 15 117.1550 . . 1 . . . . A 12 LYS N . 30482 1
126 . 1 1 13 13 ILE H H 1 7.6370 . . 1 . . . . A 13 ILE H . 30482 1
127 . 1 1 13 13 ILE HA H 1 4.1590 . . 1 . . . . A 13 ILE HA . 30482 1
128 . 1 1 13 13 ILE HB H 1 1.9070 . . 1 . . . . A 13 ILE HB . 30482 1
129 . 1 1 13 13 ILE HG12 H 1 1.3340 . . 1 . . . . A 13 ILE HG12 . 30482 1
130 . 1 1 13 13 ILE HG13 H 1 1.5600 . . 1 . . . . A 13 ILE HG13 . 30482 1
131 . 1 1 13 13 ILE HG21 H 1 0.9330 . . 1 . . . . A 13 ILE HG21 . 30482 1
132 . 1 1 13 13 ILE HG22 H 1 0.9330 . . 1 . . . . A 13 ILE HG22 . 30482 1
133 . 1 1 13 13 ILE HG23 H 1 0.9330 . . 1 . . . . A 13 ILE HG23 . 30482 1
134 . 1 1 13 13 ILE HD11 H 1 0.8580 . . 1 . . . . A 13 ILE HD11 . 30482 1
135 . 1 1 13 13 ILE HD12 H 1 0.8580 . . 1 . . . . A 13 ILE HD12 . 30482 1
136 . 1 1 13 13 ILE HD13 H 1 0.8580 . . 1 . . . . A 13 ILE HD13 . 30482 1
137 . 1 1 13 13 ILE CA C 13 62.3730 . . 1 . . . . A 13 ILE CA . 30482 1
138 . 1 1 13 13 ILE N N 15 115.3200 . . 1 . . . . A 13 ILE N . 30482 1
139 . 1 1 14 14 LEU HA H 1 4.3990 . . 1 . . . . A 14 LEU HA . 30482 1
140 . 1 1 14 14 LEU HB2 H 1 1.8010 . . 1 . . . . A 14 LEU HB2 . 30482 1
141 . 1 1 14 14 LEU HB3 H 1 1.6060 . . 1 . . . . A 14 LEU HB3 . 30482 1
142 . 1 1 14 14 LEU HG H 1 1.8010 . . 1 . . . . A 14 LEU HG . 30482 1
143 . 1 1 14 14 LEU HD11 H 1 0.8950 . . 1 . . . . A 14 LEU HD11 . 30482 1
144 . 1 1 14 14 LEU HD12 H 1 0.8950 . . 1 . . . . A 14 LEU HD12 . 30482 1
145 . 1 1 14 14 LEU HD13 H 1 0.8950 . . 1 . . . . A 14 LEU HD13 . 30482 1
146 . 1 1 14 14 LEU HD21 H 1 0.8820 . . 1 . . . . A 14 LEU HD21 . 30482 1
147 . 1 1 14 14 LEU HD22 H 1 0.8820 . . 1 . . . . A 14 LEU HD22 . 30482 1
148 . 1 1 14 14 LEU HD23 H 1 0.8820 . . 1 . . . . A 14 LEU HD23 . 30482 1
149 . 1 1 14 14 LEU CA C 13 53.9500 . . 1 . . . . A 14 LEU CA . 30482 1
150 . 1 1 14 14 LEU CB C 13 41.9880 . . 1 . . . . A 14 LEU CB . 30482 1
151 . 1 1 14 14 LEU CG C 13 27.2880 . . 1 . . . . A 14 LEU CG . 30482 1
152 . 1 1 14 14 LEU N N 15 119.6370 . . 1 . . . . A 14 LEU N . 30482 1
153 . 1 1 15 15 NH2 HN1 H 1 7.8200 . . 1 . . . . A 15 NH2 HN1 . 30482 1
stop_
save_