###################################
# 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 15876
_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
2 '3D CBCA(CO)NH' . . . 15876 1
3 '3D HNCACB' . . . 15876 1
4 '3D HBHA(CO)NH' . . . 15876 1
7 '3D HNCO' . . . 15876 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $X-PLOR_NIH . . 15876 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 LEU HA H 1 4.3281 . . . . . . . 1 L HA . 15876 1
2 . 1 1 1 1 LEU CA C 13 57.4484 . . . . . . . 1 L CA . 15876 1
3 . 1 1 1 1 LEU CB C 13 42.6173 . . . . . . . 1 L CB . 15876 1
4 . 1 1 1 1 LEU N N 15 123.1800 . . . . . . . 1 L N . 15876 1
5 . 1 1 2 2 LEU HA H 1 4.2137 . . . . . . . 2 L HA . 15876 1
6 . 1 1 2 2 LEU C C 13 178.4110 . . . . . . . 2 L C . 15876 1
7 . 1 1 2 2 LEU CA C 13 57.2388 . . . . . . . 2 L CA . 15876 1
8 . 1 1 2 2 LEU CB C 13 41.6401 . . . . . . . 2 L CB . 15876 1
9 . 1 1 2 2 LEU N N 15 118.9658 . . . . . . . 2 L N . 15876 1
10 . 1 1 3 3 GLY HA2 H 1 4.06 . . . . . . . 3 G HA1 . 15876 1
11 . 1 1 3 3 GLY HA3 H 1 3.89 . . . . . . . 3 G HA2 . 15876 1
12 . 1 1 3 3 GLY C C 13 175.6530 . . . . . . . 3 G C . 15876 1
13 . 1 1 3 3 GLY CA C 13 47.2794 . . . . . . . 3 G CA . 15876 1
14 . 1 1 3 3 GLY N N 15 107.0188 . . . . . . . 3 G N . 15876 1
15 . 1 1 4 4 ASP HA H 1 4.5235 . . . . . . . 4 D HA . 15876 1
16 . 1 1 4 4 ASP C C 13 178.1180 . . . . . . . 4 D C . 15876 1
17 . 1 1 4 4 ASP CA C 13 56.8338 . . . . . . . 4 D CA . 15876 1
18 . 1 1 4 4 ASP CB C 13 39.9710 . . . . . . . 4 D CB . 15876 1
19 . 1 1 4 4 ASP N N 15 120.3935 . . . . . . . 4 D N . 15876 1
20 . 1 1 5 5 PHE HA H 1 4.2282 . . . . . . . 5 F HA . 15876 1
21 . 1 1 5 5 PHE C C 13 178.2190 . . . . . . . 5 F C . 15876 1
22 . 1 1 5 5 PHE CA C 13 61.6007 . . . . . . . 5 F CA . 15876 1
23 . 1 1 5 5 PHE CB C 13 39.0921 . . . . . . . 5 F CB . 15876 1
24 . 1 1 5 5 PHE N N 15 121.0704 . . . . . . . 5 F N . 15876 1
25 . 1 1 6 6 PHE HA H 1 4.0267 . . . . . . . 6 F HA . 15876 1
26 . 1 1 6 6 PHE C C 13 176.9340 . . . . . . . 6 F C . 15876 1
27 . 1 1 6 6 PHE CA C 13 61.5281 . . . . . . . 6 F CA . 15876 1
28 . 1 1 6 6 PHE CB C 13 38.9804 . . . . . . . 6 F CB . 15876 1
29 . 1 1 6 6 PHE N N 15 120.4306 . . . . . . . 6 F N . 15876 1
30 . 1 1 7 7 ARG HA H 1 3.8142 . . . . . . . 7 R HA . 15876 1
31 . 1 1 7 7 ARG C C 13 178.9600 . . . . . . . 7 R C . 15876 1
32 . 1 1 7 7 ARG CA C 13 60.1097 . . . . . . . 7 R CA . 15876 1
33 . 1 1 7 7 ARG CB C 13 30.3542 . . . . . . . 7 R CB . 15876 1
34 . 1 1 7 7 ARG N N 15 117.7558 . . . . . . . 7 R N . 15876 1
35 . 1 1 8 8 LYS HA H 1 4.1413 . . . . . . . 8 K HA . 15876 1
36 . 1 1 8 8 LYS C C 13 178.5780 . . . . . . . 8 K C . 15876 1
37 . 1 1 8 8 LYS CA C 13 58.5871 . . . . . . . 8 K CA . 15876 1
38 . 1 1 8 8 LYS CB C 13 32.5331 . . . . . . . 8 K CB . 15876 1
39 . 1 1 8 8 LYS N N 15 118.0981 . . . . . . . 8 K N . 15876 1
40 . 1 1 9 9 SER HA H 1 4.2592 . . . . . . . 9 S HA . 15876 1
41 . 1 1 9 9 SER C C 13 175.2160 . . . . . . . 9 S C . 15876 1
42 . 1 1 9 9 SER CA C 13 60.6162 . . . . . . . 9 S CA . 15876 1
43 . 1 1 9 9 SER CB C 13 63.4629 . . . . . . . 9 S CB . 15876 1
44 . 1 1 9 9 SER N N 15 114.8993 . . . . . . . 9 S N . 15876 1
45 . 1 1 10 10 LYS HA H 1 3.676 . . . . . . . 10 K HA . 15876 1
46 . 1 1 10 10 LYS C C 13 177.3750 . . . . . . . 10 K C . 15876 1
47 . 1 1 10 10 LYS CA C 13 60.2021 . . . . . . . 10 K CA . 15876 1
48 . 1 1 10 10 LYS CB C 13 32.1389 . . . . . . . 10 K CB . 15876 1
49 . 1 1 10 10 LYS N N 15 122.1272 . . . . . . . 10 K N . 15876 1
50 . 1 1 11 11 GLU HA H 1 4.1147 . . . . . . . 11 E HA . 15876 1
51 . 1 1 11 11 GLU C C 13 178.4580 . . . . . . . 11 E C . 15876 1
52 . 1 1 11 11 GLU CA C 13 58.9127 . . . . . . . 11 E CA . 15876 1
53 . 1 1 11 11 GLU CB C 13 28.9832 . . . . . . . 11 E CB . 15876 1
54 . 1 1 11 11 GLU N N 15 117.4476 . . . . . . . 11 E N . 15876 1
55 . 1 1 12 12 LYS HA H 1 4.1510 . . . . . . . 12 K HA . 15876 1
56 . 1 1 12 12 LYS C C 13 178.2270 . . . . . . . 12 K C . 15876 1
57 . 1 1 12 12 LYS CA C 13 58.7533 . . . . . . . 12 K CA . 15876 1
58 . 1 1 12 12 LYS CB C 13 33.0272 . . . . . . . 12 K CB . 15876 1
59 . 1 1 12 12 LYS N N 15 118.8892 . . . . . . . 12 K N . 15876 1
60 . 1 1 13 13 ILE HA H 1 3.8979 . . . . . . . 13 I HA . 15876 1
61 . 1 1 13 13 ILE C C 13 177.6680 . . . . . . . 13 I C . 15876 1
62 . 1 1 13 13 ILE CA C 13 64.1432 . . . . . . . 13 I CA . 15876 1
63 . 1 1 13 13 ILE CB C 13 38.4323 . . . . . . . 13 I CB . 15876 1
64 . 1 1 13 13 ILE N N 15 117.0462 . . . . . . . 13 I N . 15876 1
65 . 1 1 14 14 GLY HA2 H 1 4.09 . . . . . . . 14 G HA1 . 15876 1
66 . 1 1 14 14 GLY HA3 H 1 3.79 . . . . . . . 14 G HA2 . 15876 1
67 . 1 1 14 14 GLY C C 13 175.4590 . . . . . . . 14 G C . 15876 1
68 . 1 1 14 14 GLY CA C 13 47.8865 . . . . . . . 14 G CA . 15876 1
69 . 1 1 14 14 GLY N N 15 108.2750 . . . . . . . 14 G N . 15876 1
70 . 1 1 15 15 LYS HA H 1 4.1030 . . . . . . . 15 K HA . 15876 1
71 . 1 1 15 15 LYS C C 13 179.3170 . . . . . . . 15 K C . 15876 1
72 . 1 1 15 15 LYS CA C 13 59.2555 . . . . . . . 15 K CA . 15876 1
73 . 1 1 15 15 LYS CB C 13 32.4971 . . . . . . . 15 K CB . 15876 1
74 . 1 1 15 15 LYS N N 15 119.5538 . . . . . . . 15 K N . 15876 1
75 . 1 1 16 16 GLU HA H 1 4.4039 . . . . . . . 16 E HA . 15876 1
76 . 1 1 16 16 GLU C C 13 177.6710 . . . . . . . 16 E C . 15876 1
77 . 1 1 16 16 GLU CA C 13 57.3789 . . . . . . . 16 E CA . 15876 1
78 . 1 1 16 16 GLU CB C 13 27.9418 . . . . . . . 16 E CB . 15876 1
79 . 1 1 16 16 GLU N N 15 118.5793 . . . . . . . 16 E N . 15876 1
80 . 1 1 17 17 PHE HA H 1 4.2240 . . . . . . . 17 F HA . 15876 1
81 . 1 1 17 17 PHE C C 13 176.8170 . . . . . . . 17 F C . 15876 1
82 . 1 1 17 17 PHE CA C 13 61.7497 . . . . . . . 17 F CA . 15876 1
83 . 1 1 17 17 PHE CB C 13 39.2113 . . . . . . . 17 F CB . 15876 1
84 . 1 1 17 17 PHE N N 15 119.9304 . . . . . . . 17 F N . 15876 1
85 . 1 1 18 18 LYS HA H 1 3.8283 . . . . . . . 18 K HA . 15876 1
86 . 1 1 18 18 LYS C C 13 178.9430 . . . . . . . 18 K C . 15876 1
87 . 1 1 18 18 LYS CA C 13 59.9475 . . . . . . . 18 K CA . 15876 1
88 . 1 1 18 18 LYS CB C 13 32.1887 . . . . . . . 18 K CB . 15876 1
89 . 1 1 18 18 LYS N N 15 117.0090 . . . . . . . 18 K N . 15876 1
90 . 1 1 19 19 ARG HA H 1 4.0987 . . . . . . . 19 R HA . 15876 1
91 . 1 1 19 19 ARG C C 13 178.9310 . . . . . . . 19 R C . 15876 1
92 . 1 1 19 19 ARG CA C 13 59.4318 . . . . . . . 19 R CA . 15876 1
93 . 1 1 19 19 ARG CB C 13 30.1804 . . . . . . . 19 R CB . 15876 1
94 . 1 1 19 19 ARG N N 15 119.2019 . . . . . . . 19 R N . 15876 1
95 . 1 1 20 20 ILE HA H 1 3.7043 . . . . . . . 20 I HA . 15876 1
96 . 1 1 20 20 ILE C C 13 177.5960 . . . . . . . 20 I C . 15876 1
97 . 1 1 20 20 ILE CA C 13 64.9565 . . . . . . . 20 I CA . 15876 1
98 . 1 1 20 20 ILE CB C 13 37.8959 . . . . . . . 20 I CB . 15876 1
99 . 1 1 20 20 ILE N N 15 120.4434 . . . . . . . 20 I N . 15876 1
100 . 1 1 21 21 VAL HA H 1 3.3955 . . . . . . . 21 V HA . 15876 1
101 . 1 1 21 21 VAL C C 13 177.5890 . . . . . . . 21 V C . 15876 1
102 . 1 1 21 21 VAL CA C 13 67.396 . . . . . . . 21 V CA . 15876 1
103 . 1 1 21 21 VAL CB C 13 31.3292 . . . . . . . 21 V CB . 15876 1
104 . 1 1 21 21 VAL N N 15 119.3993 . . . . . . . 21 V N . 15876 1
105 . 1 1 22 22 GLN HA H 1 3.8693 . . . . . . . 22 Q HA . 15876 1
106 . 1 1 22 22 GLN C C 13 177.7690 . . . . . . . 22 Q C . 15876 1
107 . 1 1 22 22 GLN CA C 13 58.9187 . . . . . . . 22 Q CA . 15876 1
108 . 1 1 22 22 GLN CB C 13 28.1968 . . . . . . . 22 Q CB . 15876 1
109 . 1 1 22 22 GLN N N 15 117.9628 . . . . . . . 22 Q N . 15876 1
110 . 1 1 23 23 ARG HA H 1 4.2251 . . . . . . . 23 R HA . 15876 1
111 . 1 1 23 23 ARG C C 13 179.4140 . . . . . . . 23 R C . 15876 1
112 . 1 1 23 23 ARG CA C 13 58.6471 . . . . . . . 23 R CA . 15876 1
113 . 1 1 23 23 ARG CB C 13 29.7742 . . . . . . . 23 R CB . 15876 1
114 . 1 1 23 23 ARG N N 15 118.7562 . . . . . . . 23 R N . 15876 1
115 . 1 1 24 24 ILE HA H 1 3.7125 . . . . . . . 24 I HA . 15876 1
116 . 1 1 24 24 ILE C C 13 177.5660 . . . . . . . 24 I C . 15876 1
117 . 1 1 24 24 ILE CA C 13 65.9105 . . . . . . . 24 I CA . 15876 1
118 . 1 1 24 24 ILE CB C 13 37.9895 . . . . . . . 24 I CB . 15876 1
119 . 1 1 24 24 ILE N N 15 119.9298 . . . . . . . 24 I N . 15876 1
120 . 1 1 25 25 LYS HA H 1 3.8209 . . . . . . . 25 K HA . 15876 1
121 . 1 1 25 25 LYS C C 13 178.2040 . . . . . . . 25 K C . 15876 1
122 . 1 1 25 25 LYS CA C 13 61.3555 . . . . . . . 25 K CA . 15876 1
123 . 1 1 25 25 LYS CB C 13 32.4423 . . . . . . . 25 K CB . 15876 1
124 . 1 1 25 25 LYS N N 15 119.9108 . . . . . . . 25 K N . 15876 1
125 . 1 1 26 26 ASP HA H 1 4.3386 . . . . . . . 26 D HA . 15876 1
126 . 1 1 26 26 ASP C C 13 178.0320 . . . . . . . 26 D C . 15876 1
127 . 1 1 26 26 ASP CA C 13 57.1398 . . . . . . . 26 D CA . 15876 1
128 . 1 1 26 26 ASP CB C 13 39.8065 . . . . . . . 26 D CB . 15876 1
129 . 1 1 26 26 ASP N N 15 117.6751 . . . . . . . 26 D N . 15876 1
130 . 1 1 27 27 PHE HA H 1 4.3389 . . . . . . . 27 F HA . 15876 1
131 . 1 1 27 27 PHE C C 13 178.0560 . . . . . . . 27 F C . 15876 1
132 . 1 1 27 27 PHE CA C 13 61.0284 . . . . . . . 27 F CA . 15876 1
133 . 1 1 27 27 PHE CB C 13 39.5812 . . . . . . . 27 F CB . 15876 1
134 . 1 1 27 27 PHE N N 15 121.0283 . . . . . . . 27 F N . 15876 1
135 . 1 1 28 28 LEU HA H 1 3.8964 . . . . . . . 28 L HA . 15876 1
136 . 1 1 28 28 LEU C C 13 179.0160 . . . . . . . 28 L C . 15876 1
137 . 1 1 28 28 LEU CA C 13 57.5989 . . . . . . . 28 L CA . 15876 1
138 . 1 1 28 28 LEU CB C 13 41.9995 . . . . . . . 28 L CB . 15876 1
139 . 1 1 28 28 LEU N N 15 118.5402 . . . . . . . 28 L N . 15876 1
140 . 1 1 29 29 ARG HA H 1 3.9888 . . . . . . . 29 R HA . 15876 1
141 . 1 1 29 29 ARG C C 13 177.7340 . . . . . . . 29 R C . 15876 1
142 . 1 1 29 29 ARG CA C 13 58.7239 . . . . . . . 29 R CA . 15876 1
143 . 1 1 29 29 ARG CB C 13 30.0284 . . . . . . . 29 R CB . 15876 1
144 . 1 1 29 29 ARG N N 15 117.0937 . . . . . . . 29 R N . 15876 1
145 . 1 1 30 30 ASN HA H 1 4.6051 . . . . . . . 30 N HA . 15876 1
146 . 1 1 30 30 ASN C C 13 175.4690 . . . . . . . 30 N C . 15876 1
147 . 1 1 30 30 ASN CA C 13 54.1797 . . . . . . . 30 N CA . 15876 1
148 . 1 1 30 30 ASN CB C 13 39.2141 . . . . . . . 30 N CB . 15876 1
149 . 1 1 30 30 ASN N N 15 114.8183 . . . . . . . 30 N N . 15876 1
150 . 1 1 31 31 LEU HA H 1 4.1315 . . . . . . . 31 L HA . 15876 1
151 . 1 1 31 31 LEU C C 13 176.8240 . . . . . . . 31 L C . 15876 1
152 . 1 1 31 31 LEU CA C 13 56.0692 . . . . . . . 31 L CA . 15876 1
153 . 1 1 31 31 LEU CB C 13 43.2650 . . . . . . . 31 L CB . 15876 1
154 . 1 1 31 31 LEU N N 15 120.3281 . . . . . . . 31 L N . 15876 1
155 . 1 1 32 32 VAL CA C 13 60.8078 . . . . . . . 32 V CA . 15876 1
156 . 1 1 32 32 VAL CB C 13 32.2833 . . . . . . . 32 V CB . 15876 1
157 . 1 1 32 32 VAL N N 15 118.4274 . . . . . . . 32 V N . 15876 1
158 . 1 1 33 33 PRO HA H 1 4.4350 . . . . . . . 33 P HA . 15876 1
159 . 1 1 33 33 PRO C C 13 177.1450 . . . . . . . 33 P C . 15876 1
160 . 1 1 33 33 PRO CA C 13 63.7237 . . . . . . . 33 P CA . 15876 1
161 . 1 1 33 33 PRO CB C 13 31.7043 . . . . . . . 33 P CB . 15876 1
162 . 1 1 34 34 ARG HA H 1 4.4064 . . . . . . . 34 R HA . 15876 1
163 . 1 1 34 34 ARG C C 13 176.6580 . . . . . . . 34 R C . 15876 1
164 . 1 1 34 34 ARG CA C 13 56.1123 . . . . . . . 34 R CA . 15876 1
165 . 1 1 34 34 ARG CB C 13 31.0114 . . . . . . . 34 R CB . 15876 1
166 . 1 1 34 34 ARG N N 15 120.2251 . . . . . . . 34 R N . 15876 1
167 . 1 1 35 35 THR HA H 1 4.3315 . . . . . . . 35 T HA . 15876 1
168 . 1 1 35 35 THR C C 13 174.5280 . . . . . . . 35 T C . 15876 1
169 . 1 1 35 35 THR CA C 13 62.0028 . . . . . . . 35 T CA . 15876 1
170 . 1 1 35 35 THR CB C 13 69.9281 . . . . . . . 35 T CB . 15876 1
171 . 1 1 35 35 THR N N 15 114.2727 . . . . . . . 35 T N . 15876 1
172 . 1 1 36 36 GLU HA H 1 4.4166 . . . . . . . 36 E HA . 15876 1
173 . 1 1 36 36 GLU C C 13 175.4280 . . . . . . . 36 E C . 15876 1
174 . 1 1 36 36 GLU CA C 13 56.1307 . . . . . . . 36 E CA . 15876 1
175 . 1 1 36 36 GLU CB C 13 29.8665 . . . . . . . 36 E CB . 15876 1
176 . 1 1 36 36 GLU N N 15 123.2328 . . . . . . . 36 E N . 15876 1
177 . 1 1 37 37 SER CA C 13 59.8560 . . . . . . . 37 S CA . 15876 1
178 . 1 1 37 37 SER CB C 13 64.8333 . . . . . . . 37 S CB . 15876 1
179 . 1 1 37 37 SER N N 15 122.4726 . . . . . . . 37 S N . 15876 1
stop_
save_