###################################
# 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 27647
_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
1 '2D 1H-15N HSQC' . . . 27647 1
2 '3D HNCACB' . . . 27647 1
3 '3D CBCA(CO)NH' . . . 27647 1
4 '3D HNCO' . . . 27647 1
5 '3D HN(CA)CO' . . . 27647 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
3 $SPARKY . . 27647 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 2 2 THR C C 13 174.564 . . . . . . . . 85 T C . 27647 1
2 . 1 1 2 2 THR CA C 13 61.983 . . . . . . . . 85 T CA . 27647 1
3 . 1 1 2 2 THR CB C 13 69.951 . . . . . . . . 85 T CB . 27647 1
4 . 1 1 3 3 VAL H H 1 8.294 . . . . . . . . 86 V H . 27647 1
5 . 1 1 3 3 VAL C C 13 176.071 . . . . . . . . 86 V C . 27647 1
6 . 1 1 3 3 VAL CA C 13 62.355 . . . . . . . . 86 V CA . 27647 1
7 . 1 1 3 3 VAL CB C 13 32.632 . . . . . . . . 86 V CB . 27647 1
8 . 1 1 3 3 VAL N N 15 123.147 . . . . . . . . 86 V N . 27647 1
9 . 1 1 4 4 GLN H H 1 8.502 . . . . . . . . 87 Q H . 27647 1
10 . 1 1 4 4 GLN C C 13 175.942 . . . . . . . . 87 Q C . 27647 1
11 . 1 1 4 4 GLN CA C 13 55.763 . . . . . . . . 87 Q CA . 27647 1
12 . 1 1 4 4 GLN CB C 13 29.300 . . . . . . . . 87 Q CB . 27647 1
13 . 1 1 4 4 GLN N N 15 124.742 . . . . . . . . 87 Q N . 27647 1
14 . 1 1 5 5 SER H H 1 8.375 . . . . . . . . 88 S H . 27647 1
15 . 1 1 5 5 SER C C 13 174.502 . . . . . . . . 88 S C . 27647 1
16 . 1 1 5 5 SER CA C 13 58.379 . . . . . . . . 88 S CA . 27647 1
17 . 1 1 5 5 SER CB C 13 63.755 . . . . . . . . 88 S CB . 27647 1
18 . 1 1 5 5 SER N N 15 117.755 . . . . . . . . 88 S N . 27647 1
19 . 1 1 6 6 SER H H 1 8.420 . . . . . . . . 89 S H . 27647 1
20 . 1 1 6 6 SER C C 13 174.452 . . . . . . . . 89 S C . 27647 1
21 . 1 1 6 6 SER CA C 13 58.251 . . . . . . . . 89 S CA . 27647 1
22 . 1 1 6 6 SER CB C 13 63.823 . . . . . . . . 89 S CB . 27647 1
23 . 1 1 6 6 SER N N 15 118.154 . . . . . . . . 89 S N . 27647 1
24 . 1 1 7 7 ALA H H 1 8.304 . . . . . . . . 90 A H . 27647 1
25 . 1 1 7 7 ALA C C 13 178.181 . . . . . . . . 90 A C . 27647 1
26 . 1 1 7 7 ALA CA C 13 53.129 . . . . . . . . 90 A CA . 27647 1
27 . 1 1 7 7 ALA CB C 13 18.941 . . . . . . . . 90 A CB . 27647 1
28 . 1 1 7 7 ALA N N 15 125.814 . . . . . . . . 90 A N . 27647 1
29 . 1 1 8 8 LYS H H 1 8.121 . . . . . . . . 91 K H . 27647 1
30 . 1 1 8 8 LYS C C 13 176.616 . . . . . . . . 91 K C . 27647 1
31 . 1 1 8 8 LYS CA C 13 56.878 . . . . . . . . 91 K CA . 27647 1
32 . 1 1 8 8 LYS CB C 13 32.781 . . . . . . . . 91 K CB . 27647 1
33 . 1 1 8 8 LYS N N 15 119.402 . . . . . . . . 91 K N . 27647 1
34 . 1 1 9 9 ASP H H 1 8.082 . . . . . . . . 92 D H . 27647 1
35 . 1 1 9 9 ASP C C 13 176.505 . . . . . . . . 92 D C . 27647 1
36 . 1 1 9 9 ASP CA C 13 54.537 . . . . . . . . 92 D CA . 27647 1
37 . 1 1 9 9 ASP CB C 13 40.844 . . . . . . . . 92 D CB . 27647 1
38 . 1 1 9 9 ASP N N 15 120.484 . . . . . . . . 92 D N . 27647 1
39 . 1 1 10 10 LEU H H 1 8.019 . . . . . . . . 93 L H . 27647 1
40 . 1 1 10 10 LEU C C 13 177.782 . . . . . . . . 93 L C . 27647 1
41 . 1 1 10 10 LEU CA C 13 55.799 . . . . . . . . 93 L CA . 27647 1
42 . 1 1 10 10 LEU CB C 13 42.045 . . . . . . . . 93 L CB . 27647 1
43 . 1 1 10 10 LEU N N 15 122.357 . . . . . . . . 93 L N . 27647 1
44 . 1 1 11 11 LYS H H 1 8.102 . . . . . . . . 94 K H . 27647 1
45 . 1 1 11 11 LYS C C 13 176.910 . . . . . . . . 94 K C . 27647 1
46 . 1 1 11 11 LYS CA C 13 56.934 . . . . . . . . 94 K CA . 27647 1
47 . 1 1 11 11 LYS CB C 13 32.329 . . . . . . . . 94 K CB . 27647 1
48 . 1 1 11 11 LYS N N 15 120.334 . . . . . . . . 94 K N . 27647 1
49 . 1 1 12 12 ARG H H 1 7.949 . . . . . . . . 95 R H . 27647 1
50 . 1 1 12 12 ARG C C 13 176.222 . . . . . . . . 95 R C . 27647 1
51 . 1 1 12 12 ARG CA C 13 56.483 . . . . . . . . 95 R CA . 27647 1
52 . 1 1 12 12 ARG CB C 13 30.441 . . . . . . . . 95 R CB . 27647 1
53 . 1 1 12 12 ARG N N 15 120.507 . . . . . . . . 95 R N . 27647 1
54 . 1 1 13 13 LEU H H 1 8.004 . . . . . . . . 96 L H . 27647 1
55 . 1 1 13 13 LEU C C 13 177.125 . . . . . . . . 96 L C . 27647 1
56 . 1 1 13 13 LEU CA C 13 55.364 . . . . . . . . 96 L CA . 27647 1
57 . 1 1 13 13 LEU CB C 13 42.356 . . . . . . . . 96 L CB . 27647 1
58 . 1 1 13 13 LEU N N 15 122.162 . . . . . . . . 96 L N . 27647 1
59 . 1 1 14 14 PHE H H 1 8.133 . . . . . . . . 97 F H . 27647 1
60 . 1 1 14 14 PHE C C 13 175.777 . . . . . . . . 97 F C . 27647 1
61 . 1 1 14 14 PHE CA C 13 57.633 . . . . . . . . 97 F CA . 27647 1
62 . 1 1 14 14 PHE CB C 13 39.446 . . . . . . . . 97 F CB . 27647 1
63 . 1 1 14 14 PHE N N 15 120.059 . . . . . . . . 97 F N . 27647 1
64 . 1 1 15 15 SER H H 1 8.163 . . . . . . . . 98 S H . 27647 1
65 . 1 1 15 15 SER C C 13 174.780 . . . . . . . . 98 S C . 27647 1
66 . 1 1 15 15 SER CA C 13 58.303 . . . . . . . . 98 S CA . 27647 1
67 . 1 1 15 15 SER CB C 13 63.732 . . . . . . . . 98 S CB . 27647 1
68 . 1 1 15 15 SER N N 15 117.196 . . . . . . . . 98 S N . 27647 1
69 . 1 1 16 16 GLY H H 1 8.008 . . . . . . . . 99 G H . 27647 1
70 . 1 1 16 16 GLY C C 13 174.184 . . . . . . . . 99 G C . 27647 1
71 . 1 1 16 16 GLY CA C 13 45.402 . . . . . . . . 99 G CA . 27647 1
72 . 1 1 16 16 GLY N N 15 110.398 . . . . . . . . 99 G N . 27647 1
73 . 1 1 17 17 THR H H 1 8.005 . . . . . . . . 100 T H . 27647 1
74 . 1 1 17 17 THR C C 13 174.392 . . . . . . . . 100 T C . 27647 1
75 . 1 1 17 17 THR CA C 13 61.967 . . . . . . . . 100 T CA . 27647 1
76 . 1 1 17 17 THR CB C 13 69.630 . . . . . . . . 100 T CB . 27647 1
77 . 1 1 17 17 THR N N 15 113.526 . . . . . . . . 100 T N . 27647 1
78 . 1 1 18 18 GLN H H 1 8.348 . . . . . . . . 101 Q H . 27647 1
79 . 1 1 18 18 GLN C C 13 175.618 . . . . . . . . 101 Q C . 27647 1
80 . 1 1 18 18 GLN CA C 13 55.576 . . . . . . . . 101 Q CA . 27647 1
81 . 1 1 18 18 GLN CB C 13 29.275 . . . . . . . . 101 Q CB . 27647 1
82 . 1 1 18 18 GLN N N 15 122.779 . . . . . . . . 101 Q N . 27647 1
83 . 1 1 19 19 ILE H H 1 8.145 . . . . . . . . 102 I H . 27647 1
84 . 1 1 19 19 ILE C C 13 176.069 . . . . . . . . 102 I C . 27647 1
85 . 1 1 19 19 ILE CA C 13 61.105 . . . . . . . . 102 I CA . 27647 1
86 . 1 1 19 19 ILE CB C 13 38.712 . . . . . . . . 102 I CB . 27647 1
87 . 1 1 19 19 ILE N N 15 122.094 . . . . . . . . 102 I N . 27647 1
88 . 1 1 20 20 SER H H 1 8.321 . . . . . . . . 103 S H . 27647 1
89 . 1 1 20 20 SER C C 13 174.520 . . . . . . . . 103 S C . 27647 1
90 . 1 1 20 20 SER CA C 13 58.112 . . . . . . . . 103 S CA . 27647 1
91 . 1 1 20 20 SER CB C 13 63.801 . . . . . . . . 103 S CB . 27647 1
92 . 1 1 20 20 SER N N 15 119.549 . . . . . . . . 103 S N . 27647 1
93 . 1 1 21 21 THR H H 1 8.129 . . . . . . . . 104 T H . 27647 1
94 . 1 1 21 21 THR C C 13 174.215 . . . . . . . . 104 T C . 27647 1
95 . 1 1 21 21 THR CA C 13 61.765 . . . . . . . . 104 T CA . 27647 1
96 . 1 1 21 21 THR CB C 13 69.588 . . . . . . . . 104 T CB . 27647 1
97 . 1 1 21 21 THR N N 15 116.215 . . . . . . . . 104 T N . 27647 1
98 . 1 1 22 22 ILE H H 1 8.003 . . . . . . . . 105 I H . 27647 1
99 . 1 1 22 22 ILE C C 13 175.488 . . . . . . . . 105 I C . 27647 1
100 . 1 1 22 22 ILE CA C 13 60.910 . . . . . . . . 105 I CA . 27647 1
101 . 1 1 22 22 ILE CB C 13 38.770 . . . . . . . . 105 I CB . 27647 1
102 . 1 1 22 22 ILE N N 15 122.736 . . . . . . . . 105 I N . 27647 1
103 . 1 1 23 23 ALA H H 1 8.315 . . . . . . . . 106 A H . 27647 1
104 . 1 1 23 23 ALA C C 13 177.346 . . . . . . . . 106 A C . 27647 1
105 . 1 1 23 23 ALA CA C 13 52.213 . . . . . . . . 106 A CA . 27647 1
106 . 1 1 23 23 ALA CB C 13 19.361 . . . . . . . . 106 A CB . 27647 1
107 . 1 1 23 23 ALA N N 15 128.578 . . . . . . . . 106 A N . 27647 1
108 . 1 1 24 24 GLU H H 1 8.372 . . . . . . . . 107 E H . 27647 1
109 . 1 1 24 24 GLU C C 13 176.497 . . . . . . . . 107 E C . 27647 1
110 . 1 1 24 24 GLU CA C 13 56.712 . . . . . . . . 107 E CA . 27647 1
111 . 1 1 24 24 GLU CB C 13 30.267 . . . . . . . . 107 E CB . 27647 1
112 . 1 1 24 24 GLU N N 15 121.032 . . . . . . . . 107 E N . 27647 1
113 . 1 1 25 25 SEP H H 1 8.537 . . . . . . . . 108 X H . 27647 1
114 . 1 1 25 25 SEP C C 13 173.753 . . . . . . . . 108 X c . 27647 1
115 . 1 1 25 25 SEP CA C 13 57.265 . . . . . . . . 108 X CA . 27647 1
116 . 1 1 25 25 SEP CB C 13 66.344 . . . . . . . . 108 X CB . 27647 1
117 . 1 1 25 25 SEP N N 15 116.138 . . . . . . . . 108 X N . 27647 1
118 . 1 1 26 26 GLU H H 1 8.296 . . . . . . . . 109 E H . 27647 1
119 . 1 1 26 26 GLU C C 13 175.763 . . . . . . . . 109 E C . 27647 1
120 . 1 1 26 26 GLU CA C 13 56.063 . . . . . . . . 109 E CA . 27647 1
121 . 1 1 26 26 GLU CB C 13 30.220 . . . . . . . . 109 E CB . 27647 1
122 . 1 1 26 26 GLU N N 15 122.144 . . . . . . . . 109 E N . 27647 1
123 . 1 1 27 27 ASP H H 1 8.294 . . . . . . . . 110 D H . 27647 1
124 . 1 1 27 27 ASP C C 13 176.268 . . . . . . . . 110 D C . 27647 1
125 . 1 1 27 27 ASP CA C 13 54.121 . . . . . . . . 110 D CA . 27647 1
126 . 1 1 27 27 ASP CB C 13 41.237 . . . . . . . . 110 D CB . 27647 1
127 . 1 1 27 27 ASP N N 15 121.869 . . . . . . . . 110 D N . 27647 1
128 . 1 1 28 28 SEP H H 1 8.630 . . . . . . . . 111 X H . 27647 1
129 . 1 1 28 28 SEP C C 13 174.070 . . . . . . . . 111 X C . 27647 1
130 . 1 1 28 28 SEP CA C 13 57.628 . . . . . . . . 111 X CA . 27647 1
131 . 1 1 28 28 SEP CB C 13 66.348 . . . . . . . . 111 X CB . 27647 1
132 . 1 1 28 28 SEP N N 15 117.211 . . . . . . . . 111 X N . 27647 1
133 . 1 1 29 29 GLN H H 1 8.375 . . . . . . . . 112 Q H . 27647 1
134 . 1 1 29 29 GLN C C 13 175.664 . . . . . . . . 112 Q C . 27647 1
135 . 1 1 29 29 GLN CA C 13 55.534 . . . . . . . . 112 Q CA . 27647 1
136 . 1 1 29 29 GLN CB C 13 29.386 . . . . . . . . 112 Q CB . 27647 1
137 . 1 1 29 29 GLN N N 15 121.614 . . . . . . . . 112 Q N . 27647 1
138 . 1 1 30 30 GLU H H 1 8.238 . . . . . . . . 113 E H . 27647 1
139 . 1 1 30 30 GLU C C 13 176.260 . . . . . . . . 113 E C . 27647 1
140 . 1 1 30 30 GLU CA C 13 56.472 . . . . . . . . 113 E CA . 27647 1
141 . 1 1 30 30 GLU CB C 13 30.210 . . . . . . . . 113 E CB . 27647 1
142 . 1 1 30 30 GLU N N 15 121.999 . . . . . . . . 113 E N . 27647 1
143 . 1 1 31 31 SEP H H 1 8.619 . . . . . . . . 114 X H . 27647 1
144 . 1 1 31 31 SEP C C 13 173.620 . . . . . . . . 114 X C . 27647 1
145 . 1 1 31 31 SEP CA C 13 56.888 . . . . . . . . 114 X CA . 27647 1
146 . 1 1 31 31 SEP CB C 13 66.252 . . . . . . . . 114 X CB . 27647 1
147 . 1 1 31 31 SEP N N 15 117.467 . . . . . . . . 114 X N . 27647 1
148 . 1 1 32 32 VAL H H 1 8.187 . . . . . . . . 115 V H . 27647 1
149 . 1 1 32 32 VAL C C 13 175.511 . . . . . . . . 115 V C . 27647 1
150 . 1 1 32 32 VAL CA C 13 61.854 . . . . . . . . 115 V CA . 27647 1
151 . 1 1 32 32 VAL CB C 13 33.090 . . . . . . . . 115 V CB . 27647 1
152 . 1 1 32 32 VAL N N 15 121.430 . . . . . . . . 115 V N . 27647 1
153 . 1 1 33 33 ASP H H 1 8.361 . . . . . . . . 116 D H . 27647 1
154 . 1 1 33 33 ASP C C 13 175.503 . . . . . . . . 116 D C . 27647 1
155 . 1 1 33 33 ASP CA C 13 53.973 . . . . . . . . 116 D CA . 27647 1
156 . 1 1 33 33 ASP CB C 13 41.414 . . . . . . . . 116 D CB . 27647 1
157 . 1 1 33 33 ASP N N 15 124.375 . . . . . . . . 116 D N . 27647 1
158 . 1 1 34 34 SEP H H 1 8.606 . . . . . . . . 117 X H . 27647 1
159 . 1 1 34 34 SEP C C 13 174.094 . . . . . . . . 117 X C . 27647 1
160 . 1 1 34 34 SEP CA C 13 57.843 . . . . . . . . 117 X CA . 27647 1
161 . 1 1 34 34 SEP CB C 13 66.258 . . . . . . . . 117 X CB . 27647 1
162 . 1 1 34 34 SEP N N 15 116.565 . . . . . . . . 117 X N . 27647 1
163 . 1 1 35 35 ASP H H 1 8.459 . . . . . . . . 118 D H . 27647 1
164 . 1 1 35 35 ASP C C 13 176.714 . . . . . . . . 118 D C . 27647 1
165 . 1 1 35 35 ASP CA C 13 54.495 . . . . . . . . 118 D CA . 27647 1
166 . 1 1 35 35 ASP CB C 13 41.044 . . . . . . . . 118 D CB . 27647 1
167 . 1 1 35 35 ASP N N 15 122.457 . . . . . . . . 118 D N . 27647 1
168 . 1 1 36 36 THR H H 1 8.043 . . . . . . . . 119 T H . 27647 1
169 . 1 1 36 36 THR C C 13 175.003 . . . . . . . . 119 T C . 27647 1
170 . 1 1 36 36 THR CA C 13 63.411 . . . . . . . . 119 T CA . 27647 1
171 . 1 1 36 36 THR CB C 13 69.161 . . . . . . . . 119 T CB . 27647 1
172 . 1 1 36 36 THR N N 15 115.133 . . . . . . . . 119 T N . 27647 1
173 . 1 1 37 37 ASP H H 1 8.330 . . . . . . . . 120 D H . 27647 1
174 . 1 1 37 37 ASP C C 13 176.941 . . . . . . . . 120 D C . 27647 1
175 . 1 1 37 37 ASP CA C 13 55.138 . . . . . . . . 120 D CA . 27647 1
176 . 1 1 37 37 ASP CB C 13 41.004 . . . . . . . . 120 D CB . 27647 1
177 . 1 1 37 37 ASP N N 15 122.512 . . . . . . . . 120 D N . 27647 1
178 . 1 1 38 38 SER H H 1 8.185 . . . . . . . . 121 S H . 27647 1
179 . 1 1 38 38 SER C C 13 175.756 . . . . . . . . 121 S C . 27647 1
180 . 1 1 38 38 SER CA C 13 59.987 . . . . . . . . 121 S CA . 27647 1
181 . 1 1 38 38 SER CB C 13 63.311 . . . . . . . . 121 S CB . 27647 1
182 . 1 1 38 38 SER N N 15 116.587 . . . . . . . . 121 S N . 27647 1
183 . 1 1 39 39 GLN H H 1 8.317 . . . . . . . . 122 Q H . 27647 1
184 . 1 1 39 39 GLN C C 13 177.162 . . . . . . . . 122 Q C . 27647 1
185 . 1 1 39 39 GLN CA C 13 57.575 . . . . . . . . 122 Q CA . 27647 1
186 . 1 1 39 39 GLN CB C 13 28.397 . . . . . . . . 122 Q CB . 27647 1
187 . 1 1 39 39 GLN N N 15 121.553 . . . . . . . . 122 Q N . 27647 1
188 . 1 1 40 40 LYS H H 1 8.026 . . . . . . . . 123 K H . 27647 1
189 . 1 1 40 40 LYS C C 13 177.591 . . . . . . . . 123 K C . 27647 1
190 . 1 1 40 40 LYS CA C 13 57.739 . . . . . . . . 123 K CA . 27647 1
191 . 1 1 40 40 LYS CB C 13 32.422 . . . . . . . . 123 K CB . 27647 1
192 . 1 1 40 40 LYS N N 15 120.325 . . . . . . . . 123 K N . 27647 1
193 . 1 1 41 41 ARG H H 1 8.029 . . . . . . . . 124 R H . 27647 1
194 . 1 1 41 41 ARG C C 13 177.132 . . . . . . . . 124 R C . 27647 1
195 . 1 1 41 41 ARG CA C 13 57.616 . . . . . . . . 124 R CA . 27647 1
196 . 1 1 41 41 ARG CB C 13 30.087 . . . . . . . . 124 R CB . 27647 1
197 . 1 1 41 41 ARG N N 15 119.879 . . . . . . . . 124 R N . 27647 1
198 . 1 1 42 42 ARG H H 1 8.050 . . . . . . . . 125 R H . 27647 1
199 . 1 1 42 42 ARG C C 13 177.353 . . . . . . . . 125 R C . 27647 1
200 . 1 1 42 42 ARG CA C 13 57.534 . . . . . . . . 125 R CA . 27647 1
201 . 1 1 42 42 ARG CB C 13 30.251 . . . . . . . . 125 R CB . 27647 1
202 . 1 1 42 42 ARG N N 15 120.049 . . . . . . . . 125 R N . 27647 1
203 . 1 1 43 43 GLU H H 1 8.165 . . . . . . . . 126 E H . 27647 1
204 . 1 1 43 43 GLU C C 13 177.376 . . . . . . . . 126 E C . 27647 1
205 . 1 1 43 43 GLU CA C 13 57.780 . . . . . . . . 126 E CA . 27647 1
206 . 1 1 43 43 GLU CB C 13 29.677 . . . . . . . . 126 E CB . 27647 1
207 . 1 1 43 43 GLU N N 15 120.902 . . . . . . . . 126 E N . 27647 1
208 . 1 1 44 44 ILE H H 1 7.974 . . . . . . . . 127 I H . 27647 1
209 . 1 1 44 44 ILE C C 13 177.269 . . . . . . . . 127 I C . 27647 1
210 . 1 1 44 44 ILE CA C 13 62.488 . . . . . . . . 127 I CA . 27647 1
211 . 1 1 44 44 ILE CB C 13 38.310 . . . . . . . . 127 I CB . 27647 1
212 . 1 1 44 44 ILE N N 15 120.863 . . . . . . . . 127 I N . 27647 1
213 . 1 1 45 45 LEU H H 1 8.110 . . . . . . . . 128 L H . 27647 1
214 . 1 1 45 45 LEU C C 13 177.927 . . . . . . . . 128 L C . 27647 1
215 . 1 1 45 45 LEU CA C 13 56.080 . . . . . . . . 128 L CA . 27647 1
216 . 1 1 45 45 LEU CB C 13 41.988 . . . . . . . . 128 L CB . 27647 1
217 . 1 1 45 45 LEU N N 15 123.132 . . . . . . . . 128 L N . 27647 1
218 . 1 1 46 46 SER H H 1 7.967 . . . . . . . . 129 S H . 27647 1
219 . 1 1 46 46 SER C C 13 174.394 . . . . . . . . 129 S C . 27647 1
220 . 1 1 46 46 SER CA C 13 59.050 . . . . . . . . 129 S CA . 27647 1
221 . 1 1 46 46 SER CB C 13 63.474 . . . . . . . . 129 S CB . 27647 1
222 . 1 1 46 46 SER N N 15 114.694 . . . . . . . . 129 S N . 27647 1
223 . 1 1 47 47 ARG H H 1 7.880 . . . . . . . . 130 R H . 27647 1
224 . 1 1 47 47 ARG C C 13 175.996 . . . . . . . . 130 R C . 27647 1
225 . 1 1 47 47 ARG CA C 13 55.990 . . . . . . . . 130 R CA . 27647 1
226 . 1 1 47 47 ARG CB C 13 30.723 . . . . . . . . 130 R CB . 27647 1
227 . 1 1 47 47 ARG N N 15 121.620 . . . . . . . . 130 R N . 27647 1
228 . 1 1 48 48 ARG H H 1 8.105 . . . . . . . . 131 R H . 27647 1
229 . 1 1 48 48 ARG C C 13 174.257 . . . . . . . . 131 R C . 27647 1
230 . 1 1 48 48 ARG CA C 13 54.139 . . . . . . . . 131 R CA . 27647 1
231 . 1 1 48 48 ARG CB C 13 30.107 . . . . . . . . 131 R CB . 27647 1
232 . 1 1 48 48 ARG N N 15 122.665 . . . . . . . . 131 R N . 27647 1
233 . 1 1 49 49 PRO C C 13 176.823 . . . . . . . . 132 P C . 27647 1
234 . 1 1 50 50 SER H H 1 8.254 . . . . . . . . 133 S H . 27647 1
235 . 1 1 50 50 SER C C 13 174.352 . . . . . . . . 133 S C . 27647 1
236 . 1 1 50 50 SER CA C 13 58.265 . . . . . . . . 133 S CA . 27647 1
237 . 1 1 50 50 SER CB C 13 63.579 . . . . . . . . 133 S CB . 27647 1
238 . 1 1 50 50 SER N N 15 115.059 . . . . . . . . 133 S N . 27647 1
239 . 1 1 51 51 TYR H H 1 8.054 . . . . . . . . 134 Y H . 27647 1
240 . 1 1 51 51 TYR C C 13 175.481 . . . . . . . . 134 Y C . 27647 1
241 . 1 1 51 51 TYR CA C 13 58.091 . . . . . . . . 134 Y CA . 27647 1
242 . 1 1 51 51 TYR CB C 13 38.669 . . . . . . . . 134 Y CB . 27647 1
243 . 1 1 51 51 TYR N N 15 122.270 . . . . . . . . 134 Y N . 27647 1
244 . 1 1 52 52 ARG H H 1 7.983 . . . . . . . . 135 R H . 27647 1
245 . 1 1 52 52 ARG C C 13 175.503 . . . . . . . . 135 R C . 27647 1
246 . 1 1 52 52 ARG CA C 13 56.039 . . . . . . . . 135 R CA . 27647 1
247 . 1 1 52 52 ARG CB C 13 30.927 . . . . . . . . 135 R CB . 27647 1
248 . 1 1 52 52 ARG N N 15 122.415 . . . . . . . . 135 R N . 27647 1
249 . 1 1 53 53 LYS H H 1 8.139 . . . . . . . . 136 K H . 27647 1
250 . 1 1 53 53 LYS C C 13 176.214 . . . . . . . . 136 K C . 27647 1
251 . 1 1 53 53 LYS CA C 13 56.572 . . . . . . . . 136 K CA . 27647 1
252 . 1 1 53 53 LYS CB C 13 32.852 . . . . . . . . 136 K CB . 27647 1
253 . 1 1 53 53 LYS N N 15 122.793 . . . . . . . . 136 K N . 27647 1
254 . 1 1 54 54 ILE H H 1 8.070 . . . . . . . . 137 I H . 27647 1
255 . 1 1 54 54 ILE C C 13 176.046 . . . . . . . . 137 I C . 27647 1
256 . 1 1 54 54 ILE CA C 13 61.030 . . . . . . . . 137 I CA . 27647 1
257 . 1 1 54 54 ILE CB C 13 38.546 . . . . . . . . 137 I CB . 27647 1
258 . 1 1 54 54 ILE N N 15 122.495 . . . . . . . . 137 I N . 27647 1
259 . 1 1 55 55 LEU H H 1 8.206 . . . . . . . . 138 L H . 27647 1
260 . 1 1 55 55 LEU C C 13 176.841 . . . . . . . . 138 L C . 27647 1
261 . 1 1 55 55 LEU CA C 13 55.149 . . . . . . . . 138 L CA . 27647 1
262 . 1 1 55 55 LEU CB C 13 42.175 . . . . . . . . 138 L CB . 27647 1
263 . 1 1 55 55 LEU N N 15 125.754 . . . . . . . . 138 L N . 27647 1
264 . 1 1 56 56 ASN H H 1 8.276 . . . . . . . . 139 N H . 27647 1
265 . 1 1 56 56 ASN C C 13 174.643 . . . . . . . . 139 N C . 27647 1
266 . 1 1 56 56 ASN CA C 13 53.356 . . . . . . . . 139 N CA . 27647 1
267 . 1 1 56 56 ASN CB C 13 38.956 . . . . . . . . 139 N CB . 27647 1
268 . 1 1 56 56 ASN N N 15 119.177 . . . . . . . . 139 N N . 27647 1
269 . 1 1 57 57 ASP H H 1 8.218 . . . . . . . . 140 D H . 27647 1
270 . 1 1 57 57 ASP C C 13 176.218 . . . . . . . . 140 D C . 27647 1
271 . 1 1 57 57 ASP CA C 13 54.314 . . . . . . . . 140 D CA . 27647 1
272 . 1 1 57 57 ASP CB C 13 40.954 . . . . . . . . 140 D CB . 27647 1
273 . 1 1 57 57 ASP N N 15 120.410 . . . . . . . . 140 D N . 27647 1
274 . 1 1 58 58 LEU H H 1 8.154 . . . . . . . . 141 L H . 27647 1
275 . 1 1 58 58 LEU C C 13 177.644 . . . . . . . . 141 L C . 27647 1
276 . 1 1 58 58 LEU CA C 13 55.425 . . . . . . . . 141 L CA . 27647 1
277 . 1 1 58 58 LEU CB C 13 42.012 . . . . . . . . 141 L CB . 27647 1
278 . 1 1 58 58 LEU N N 15 122.308 . . . . . . . . 141 L N . 27647 1
279 . 1 1 59 59 SER H H 1 8.232 . . . . . . . . 142 S H . 27647 1
280 . 1 1 59 59 SER C C 13 174.704 . . . . . . . . 142 S C . 27647 1
281 . 1 1 59 59 SER CA C 13 58.640 . . . . . . . . 142 S CA . 27647 1
282 . 1 1 59 59 SER CB C 13 63.655 . . . . . . . . 142 S CB . 27647 1
283 . 1 1 59 59 SER N N 15 116.127 . . . . . . . . 142 S N . 27647 1
284 . 1 1 60 60 SER H H 1 8.201 . . . . . . . . 143 S H . 27647 1
285 . 1 1 60 60 SER C C 13 174.046 . . . . . . . . 143 S C . 27647 1
286 . 1 1 60 60 SER CA C 13 58.482 . . . . . . . . 143 S CA . 27647 1
287 . 1 1 60 60 SER CB C 13 63.726 . . . . . . . . 143 S CB . 27647 1
288 . 1 1 60 60 SER N N 15 117.407 . . . . . . . . 143 S N . 27647 1
289 . 1 1 61 61 ASP H H 1 8.197 . . . . . . . . 144 D H . 27647 1
290 . 1 1 61 61 ASP C C 13 175.365 . . . . . . . . 144 D C . 27647 1
291 . 1 1 61 61 ASP CA C 13 54.070 . . . . . . . . 144 D CA . 27647 1
292 . 1 1 61 61 ASP CB C 13 41.086 . . . . . . . . 144 D CB . 27647 1
293 . 1 1 61 61 ASP N N 15 121.887 . . . . . . . . 144 D N . 27647 1
294 . 1 1 62 62 ALA H H 1 8.014 . . . . . . . . 145 A H . 27647 1
295 . 1 1 62 62 ALA C C 13 175.243 . . . . . . . . 145 A C . 27647 1
296 . 1 1 62 62 ALA CA C 13 50.463 . . . . . . . . 145 A CA . 27647 1
297 . 1 1 62 62 ALA CB C 13 18.232 . . . . . . . . 145 A CB . 27647 1
298 . 1 1 62 62 ALA N N 15 124.974 . . . . . . . . 145 A N . 27647 1
299 . 1 1 63 63 PRO C C 13 177.587 . . . . . . . . 146 P C . 27647 1
300 . 1 1 64 64 GLY H H 1 8.372 . . . . . . . . 147 G H . 27647 1
301 . 1 1 64 64 GLY C C 13 173.721 . . . . . . . . 147 G C . 27647 1
302 . 1 1 64 64 GLY CA C 13 45.073 . . . . . . . . 147 G CA . 27647 1
303 . 1 1 64 64 GLY N N 15 109.049 . . . . . . . . 147 G N . 27647 1
304 . 1 1 65 65 VAL H H 1 7.816 . . . . . . . . 148 V H . 27647 1
305 . 1 1 65 65 VAL C C 13 174.348 . . . . . . . . 148 V C . 27647 1
306 . 1 1 65 65 VAL CA C 13 59.693 . . . . . . . . 148 V CA . 27647 1
307 . 1 1 65 65 VAL CB C 13 32.545 . . . . . . . . 148 V CB . 27647 1
308 . 1 1 65 65 VAL N N 15 120.770 . . . . . . . . 148 V N . 27647 1
309 . 1 1 67 67 ARG H H 1 8.359 . . . . . . . . 150 R H . 27647 1
310 . 1 1 67 67 ARG C C 13 176.168 . . . . . . . . 150 R C . 27647 1
311 . 1 1 67 67 ARG CA C 13 55.859 . . . . . . . . 150 R CA . 27647 1
312 . 1 1 67 67 ARG CB C 13 31.009 . . . . . . . . 150 R CB . 27647 1
313 . 1 1 67 67 ARG N N 15 122.075 . . . . . . . . 150 R N . 27647 1
314 . 1 1 68 68 ILE H H 1 8.230 . . . . . . . . 151 I H . 27647 1
315 . 1 1 68 68 ILE C C 13 176.038 . . . . . . . . 151 I C . 27647 1
316 . 1 1 68 68 ILE CA C 13 60.996 . . . . . . . . 151 I CA . 27647 1
317 . 1 1 68 68 ILE CB C 13 38.619 . . . . . . . . 151 I CB . 27647 1
318 . 1 1 68 68 ILE N N 15 123.141 . . . . . . . . 151 I N . 27647 1
319 . 1 1 69 69 GLU H H 1 8.486 . . . . . . . . 152 E H . 27647 1
320 . 1 1 69 69 GLU C C 13 176.054 . . . . . . . . 152 E C . 27647 1
321 . 1 1 69 69 GLU CA C 13 56.388 . . . . . . . . 152 E CA . 27647 1
322 . 1 1 69 69 GLU CB C 13 30.147 . . . . . . . . 152 E CB . 27647 1
323 . 1 1 69 69 GLU N N 15 125.007 . . . . . . . . 152 E N . 27647 1
324 . 1 1 70 70 GLU H H 1 8.346 . . . . . . . . 153 E H . 27647 1
325 . 1 1 70 70 GLU C C 13 176.095 . . . . . . . . 153 E C . 27647 1
326 . 1 1 70 70 GLU CA C 13 56.271 . . . . . . . . 153 E CA . 27647 1
327 . 1 1 70 70 GLU CB C 13 30.353 . . . . . . . . 153 E CB . 27647 1
328 . 1 1 70 70 GLU N N 15 122.010 . . . . . . . . 153 E N . 27647 1
329 . 1 1 71 71 GLU H H 1 8.383 . . . . . . . . 154 E H . 27647 1
330 . 1 1 71 71 GLU C C 13 175.969 . . . . . . . . 154 E C . 27647 1
331 . 1 1 71 71 GLU CA C 13 56.252 . . . . . . . . 154 E CA . 27647 1
332 . 1 1 71 71 GLU CB C 13 30.081 . . . . . . . . 154 E CB . 27647 1
333 . 1 1 71 71 GLU N N 15 122.465 . . . . . . . . 154 E N . 27647 1
334 . 1 1 72 72 LYS H H 1 8.329 . . . . . . . . 155 K H . 27647 1
335 . 1 1 72 72 LYS C C 13 176.386 . . . . . . . . 155 K C . 27647 1
336 . 1 1 72 72 LYS CA C 13 55.834 . . . . . . . . 155 K CA . 27647 1
337 . 1 1 72 72 LYS CB C 13 33.426 . . . . . . . . 155 K CB . 27647 1
338 . 1 1 72 72 LYS N N 15 123.136 . . . . . . . . 155 K N . 27647 1
339 . 1 1 73 73 SEP H H 1 8.723 . . . . . . . . 156 X H . 27647 1
340 . 1 1 73 73 SEP C C 13 173.876 . . . . . . . . 156 X C . 27647 1
341 . 1 1 73 73 SEP CA C 13 57.424 . . . . . . . . 156 X CA . 27647 1
342 . 1 1 73 73 SEP CB C 13 66.270 . . . . . . . . 156 X CB . 27647 1
343 . 1 1 73 73 SEP N N 15 118.044 . . . . . . . . 156 X N . 27647 1
344 . 1 1 74 74 GLU H H 1 8.350 . . . . . . . . 157 E H . 27647 1
345 . 1 1 74 74 GLU C C 13 175.544 . . . . . . . . 157 E C . 27647 1
346 . 1 1 74 74 GLU CA C 13 56.141 . . . . . . . . 157 E CA . 27647 1
347 . 1 1 74 74 GLU CB C 13 30.691 . . . . . . . . 157 E CB . 27647 1
348 . 1 1 74 74 GLU N N 15 122.086 . . . . . . . . 157 E N . 27647 1
349 . 1 1 75 75 GLU H H 1 8.124 . . . . . . . . 158 E H . 27647 1
350 . 1 1 75 75 GLU C C 13 176.214 . . . . . . . . 158 E C . 27647 1
351 . 1 1 75 75 GLU CA C 13 56.408 . . . . . . . . 158 E CA . 27647 1
352 . 1 1 75 75 GLU CB C 13 30.649 . . . . . . . . 158 E CB . 27647 1
353 . 1 1 75 75 GLU N N 15 122.713 . . . . . . . . 158 E N . 27647 1
354 . 1 1 76 76 GLU H H 1 8.430 . . . . . . . . 159 E H . 27647 1
355 . 1 1 76 76 GLU C C 13 175.748 . . . . . . . . 159 E C . 27647 1
356 . 1 1 76 76 GLU CA C 13 56.486 . . . . . . . . 159 E CA . 27647 1
357 . 1 1 76 76 GLU CB C 13 30.224 . . . . . . . . 159 E CB . 27647 1
358 . 1 1 76 76 GLU N N 15 122.832 . . . . . . . . 159 E N . 27647 1
359 . 1 1 77 77 THR H H 1 7.817 . . . . . . . . 160 T H . 27647 1
360 . 1 1 77 77 THR C C 13 179.130 . . . . . . . . 160 T C . 27647 1
361 . 1 1 77 77 THR CA C 13 63.143 . . . . . . . . 160 T CA . 27647 1
362 . 1 1 77 77 THR CB C 13 70.613 . . . . . . . . 160 T CB . 27647 1
363 . 1 1 77 77 THR N N 15 120.754 . . . . . . . . 160 T N . 27647 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_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27647
_Assigned_chem_shift_list.ID 2
_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 'The residue 119 (36) THR is phosphorylated.'
_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-15N HSQC' . . . 27647 2
2 '3D HNCACB' . . . 27647 2
3 '3D CBCA(CO)NH' . . . 27647 2
4 '3D HNCO' . . . 27647 2
5 '3D HN(CA)CO' . . . 27647 2
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
3 $SPARKY . . 27647 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.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 33 33 ASP H H 1 8.365 . . . . . . . . 116 D H . 27647 2
2 . 1 1 33 33 ASP C C 13 175.534 . . . . . . . . 116 D C . 27647 2
3 . 1 1 33 33 ASP CA C 13 54.059 . . . . . . . . 116 D CA . 27647 2
4 . 1 1 33 33 ASP CB C 13 41.389 . . . . . . . . 116 D CB . 27647 2
5 . 1 1 33 33 ASP N N 15 124.476 . . . . . . . . 116 D N . 27647 2
6 . 1 1 34 34 SEP H H 1 8.551 . . . . . . . . 117 X H . 27647 2
7 . 1 1 34 34 SEP C C 13 173.697 . . . . . . . . 117 X C . 27647 2
8 . 1 1 34 34 SEP CA C 13 57.207 . . . . . . . . 117 X CA . 27647 2
9 . 1 1 34 34 SEP CB C 13 66.506 . . . . . . . . 117 X CB . 27647 2
10 . 1 1 34 34 SEP N N 15 116.394 . . . . . . . . 117 X N . 27647 2
11 . 1 1 35 35 ASP H H 1 8.348 . . . . . . . . 118 D H . 27647 2
12 . 1 1 35 35 ASP C C 13 176.535 . . . . . . . . 118 D C . 27647 2
13 . 1 1 35 35 ASP CA C 13 54.125 . . . . . . . . 118 D CA . 27647 2
14 . 1 1 35 35 ASP CB C 13 41.291 . . . . . . . . 118 D CB . 27647 2
15 . 1 1 35 35 ASP N N 15 122.544 . . . . . . . . 118 D N . 27647 2
16 . 1 1 36 36 THR H H 1 8.524 . . . . . . . . 119 X H . 27647 2
17 . 1 1 36 36 THR C C 13 174.897 . . . . . . . . 119 X C . 27647 2
18 . 1 1 36 36 THR CA C 13 62.860 . . . . . . . . 119 X CA . 27647 2
19 . 1 1 36 36 THR CB C 13 72.938 . . . . . . . . 119 X CB . 27647 2
20 . 1 1 36 36 THR N N 15 115.107 . . . . . . . . 119 X N . 27647 2
21 . 1 1 37 37 ASP H H 1 8.408 . . . . . . . . 120 D H . 27647 2
22 . 1 1 37 37 ASP C C 13 177.430 . . . . . . . . 120 D C . 27647 2
23 . 1 1 37 37 ASP CA C 13 55.547 . . . . . . . . 120 D CA . 27647 2
24 . 1 1 37 37 ASP CB C 13 40.923 . . . . . . . . 120 D CB . 27647 2
25 . 1 1 37 37 ASP N N 15 122.306 . . . . . . . . 120 D N . 27647 2
26 . 1 1 38 38 SER H H 1 8.259 . . . . . . . . 121 S H . 27647 2
27 . 1 1 38 38 SER C C 13 176.033 . . . . . . . . 121 S C . 27647 2
28 . 1 1 38 38 SER CA C 13 60.474 . . . . . . . . 121 S CA . 27647 2
29 . 1 1 38 38 SER CB C 13 62.981 . . . . . . . . 121 S CB . 27647 2
30 . 1 1 38 38 SER N N 15 117.085 . . . . . . . . 121 S N . 27647 2
31 . 1 1 39 39 GLN H H 1 8.233 . . . . . . . . 122 Q H . 27647 2
32 . 1 1 39 39 GLN C C 13 177.369 . . . . . . . . 122 Q C . 27647 2
33 . 1 1 39 39 GLN CA C 13 57.698 . . . . . . . . 122 Q CA . 27647 2
34 . 1 1 39 39 GLN CB C 13 28.448 . . . . . . . . 122 Q CB . 27647 2
35 . 1 1 39 39 GLN N N 15 121.297 . . . . . . . . 122 Q N . 27647 2
36 . 1 1 40 40 LYS H H 1 7.974 . . . . . . . . 123 K H . 27647 2
37 . 1 1 40 40 LYS C C 13 177.789 . . . . . . . . 123 K C . 27647 2
38 . 1 1 40 40 LYS CA C 13 57.780 . . . . . . . . 123 K CA . 27647 2
39 . 1 1 40 40 LYS CB C 13 32.504 . . . . . . . . 123 K CB . 27647 2
40 . 1 1 40 40 LYS N N 15 119.919 . . . . . . . . 123 K N . 27647 2
41 . 1 1 41 41 ARG H H 1 7.966 . . . . . . . . 124 R H . 27647 2
42 . 1 1 41 41 ARG C C 13 177.269 . . . . . . . . 124 R C . 27647 2
43 . 1 1 41 41 ARG CA C 13 57.862 . . . . . . . . 124 R CA . 27647 2
44 . 1 1 41 41 ARG CB C 13 30.161 . . . . . . . . 124 R CB . 27647 2
45 . 1 1 41 41 ARG N N 15 119.621 . . . . . . . . 124 R N . 27647 2
46 . 1 1 42 42 ARG H H 1 8.023 . . . . . . . . 125 R H . 27647 2
47 . 1 1 42 42 ARG C C 13 177.439 . . . . . . . . 125 R C . 27647 2
48 . 1 1 42 42 ARG CA C 13 57.638 . . . . . . . . 125 R CA . 27647 2
49 . 1 1 42 42 ARG CB C 13 30.288 . . . . . . . . 125 R CB . 27647 2
50 . 1 1 42 42 ARG N N 15 119.907 . . . . . . . . 125 R N . 27647 2
51 . 1 1 43 43 GLU H H 1 8.140 . . . . . . . . 126 E H . 27647 2
52 . 1 1 43 43 GLU C C 13 177.445 . . . . . . . . 126 E C . 27647 2
53 . 1 1 43 43 GLU CA C 13 57.780 . . . . . . . . 126 E CA . 27647 2
54 . 1 1 43 43 GLU CB C 13 29.698 . . . . . . . . 126 E CB . 27647 2
55 . 1 1 43 43 GLU N N 15 120.696 . . . . . . . . 126 E N . 27647 2
56 . 1 1 44 44 ILE H H 1 7.916 . . . . . . . . 127 I H . 27647 2
57 . 1 1 44 44 ILE C C 13 177.277 . . . . . . . . 127 I C . 27647 2
58 . 1 1 44 44 ILE CA C 13 62.609 . . . . . . . . 127 I CA . 27647 2
59 . 1 1 44 44 ILE CB C 13 38.308 . . . . . . . . 127 I CB . 27647 2
60 . 1 1 44 44 ILE N N 15 120.640 . . . . . . . . 127 I N . 27647 2
61 . 1 1 45 45 LEU H H 1 8.076 . . . . . . . . 128 L H . 27647 2
62 . 1 1 45 45 LEU C C 13 177.927 . . . . . . . . 128 L C . 27647 2
63 . 1 1 45 45 LEU CA C 13 55.998 . . . . . . . . 128 L CA . 27647 2
64 . 1 1 45 45 LEU CB C 13 42.029 . . . . . . . . 128 L CB . 27647 2
65 . 1 1 45 45 LEU N N 15 123.017 . . . . . . . . 128 L N . 27647 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_assigned_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 27647
_Assigned_chem_shift_list.ID 3
_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 'The residue 143 (60) SER is phosphorylated.'
_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-15N HSQC' . . . 27647 3
2 '3D HNCACB' . . . 27647 3
3 '3D CBCA(CO)NH' . . . 27647 3
4 '3D HNCO' . . . 27647 3
5 '3D HN(CA)CO' . . . 27647 3
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
3 $SPARKY . . 27647 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.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 57 57 ASP H H 1 8.224 . . . . . . . . 140 D H . 27647 3
2 . 1 1 57 57 ASP C C 13 175.949 . . . . . . . . 140 D C . 27647 3
3 . 1 1 57 57 ASP CA C 13 54.298 . . . . . . . . 140 D CA . 27647 3
4 . 1 1 57 57 ASP CB C 13 40.841 . . . . . . . . 140 D CB . 27647 3
5 . 1 1 57 57 ASP N N 15 120.232 . . . . . . . . 140 D N . 27647 3
6 . 1 1 58 58 LEU H H 1 8.101 . . . . . . . . 141 L H . 27647 3
7 . 1 1 58 58 LEU C C 13 177.292 . . . . . . . . 141 L C . 27647 3
8 . 1 1 58 58 LEU CA C 13 55.056 . . . . . . . . 141 L CA . 27647 3
9 . 1 1 58 58 LEU CB C 13 42.111 . . . . . . . . 141 L CB . 27647 3
10 . 1 1 58 58 LEU N N 15 121.960 . . . . . . . . 141 L N . 27647 3
11 . 1 1 59 59 SER H H 1 8.184 . . . . . . . . 142 S H . 27647 3
12 . 1 1 59 59 SER C C 13 174.750 . . . . . . . . 142 S C . 27647 3
13 . 1 1 59 59 SER CA C 13 58.330 . . . . . . . . 142 S CA . 27647 3
14 . 1 1 59 59 SER CB C 13 63.764 . . . . . . . . 142 S CB . 27647 3
15 . 1 1 59 59 SER N N 15 116.364 . . . . . . . . 142 S N . 27647 3
16 . 1 1 60 60 SER H H 1 8.736 . . . . . . . . 143 X H . 27647 3
17 . 1 1 60 60 SER C C 13 173.635 . . . . . . . . 143 X C . 27647 3
18 . 1 1 60 60 SER CA C 13 57.657 . . . . . . . . 143 X CA . 27647 3
19 . 1 1 60 60 SER CB C 13 66.178 . . . . . . . . 143 X CB . 27647 3
20 . 1 1 60 60 SER N N 15 118.130 . . . . . . . . 143 X N . 27647 3
21 . 1 1 61 61 ASP H H 1 8.258 . . . . . . . . 144 D H . 27647 3
22 . 1 1 61 61 ASP C C 13 175.287 . . . . . . . . 144 D C . 27647 3
23 . 1 1 61 61 ASP CA C 13 54.049 . . . . . . . . 144 D CA . 27647 3
24 . 1 1 61 61 ASP CB C 13 41.025 . . . . . . . . 144 D CB . 27647 3
25 . 1 1 61 61 ASP N N 15 121.662 . . . . . . . . 144 D N . 27647 3
26 . 1 1 62 62 ALA H H 1 7.979 . . . . . . . . 145 A H . 27647 3
27 . 1 1 62 62 ALA C C 13 175.297 . . . . . . . . 145 A C . 27647 3
28 . 1 1 62 62 ALA CA C 13 50.512 . . . . . . . . 145 A CA . 27647 3
29 . 1 1 62 62 ALA CB C 13 18.260 . . . . . . . . 145 A CB . 27647 3
30 . 1 1 62 62 ALA N N 15 125.195 . . . . . . . . 145 A N . 27647 3
stop_
save_