###################################
# 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 25518
_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 'Cross Polarization C1D' . . . 25518 1
2 '3D NCACX' . . . 25518 1
3 '3D NCOCX' . . . 25518 1
4 '3D CANCO' . . . 25518 1
5 '2D CC DARR' . . . 25518 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
2 $SPARKY . . 25518 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 44 44 THR C C 13 175.252 . . 1 . . . . 44 T C . 25518 1
2 . 1 1 44 44 THR CA C 13 59.568 . . 1 . . . . 44 T CA . 25518 1
3 . 1 1 44 44 THR CB C 13 71.495 . . 1 . . . . 44 T CB . 25518 1
4 . 1 1 45 45 LYS C C 13 173.659 . . 1 . . . . 45 K C . 25518 1
5 . 1 1 45 45 LYS CA C 13 56.208 . . 1 . . . . 45 K CA . 25518 1
6 . 1 1 45 45 LYS N N 15 122.758 . . 1 . . . . 45 K N . 25518 1
7 . 1 1 46 46 GLU C C 13 174.845 . . 1 . . . . 46 E C . 25518 1
8 . 1 1 46 46 GLU CA C 13 53.816 . . 1 . . . . 46 E CA . 25518 1
9 . 1 1 46 46 GLU CB C 13 34.982 . . 1 . . . . 46 E CB . 25518 1
10 . 1 1 46 46 GLU N N 15 126.297 . . 1 . . . . 46 E N . 25518 1
11 . 1 1 47 47 GLY C C 13 172.702 . . 1 . . . . 47 G C . 25518 1
12 . 1 1 47 47 GLY CA C 13 48.452 . . 1 . . . . 47 G CA . 25518 1
13 . 1 1 47 47 GLY N N 15 115.678 . . 1 . . . . 47 G N . 25518 1
14 . 1 1 48 48 VAL C C 13 174.510 . . 1 . . . . 48 V C . 25518 1
15 . 1 1 48 48 VAL CA C 13 59.496 . . 1 . . . . 48 V CA . 25518 1
16 . 1 1 48 48 VAL CB C 13 37.752 . . 1 . . . . 48 V CB . 25518 1
17 . 1 1 48 48 VAL CG1 C 13 24.005 . . 2 . . . . 48 V CG1 . 25518 1
18 . 1 1 48 48 VAL CG2 C 13 20.599 . . 2 . . . . 48 V CG2 . 25518 1
19 . 1 1 48 48 VAL N N 15 118.553 . . 1 . . . . 48 V N . 25518 1
20 . 1 1 49 49 VAL N N 15 126.826 . . 1 . . . . 49 V N . 25518 1
21 . 1 1 52 52 VAL C C 13 174.611 . . 1 . . . . 52 V C . 25518 1
22 . 1 1 52 52 VAL CG1 C 13 20.898 . . 2 . . . . 52 V CG1 . 25518 1
23 . 1 1 53 53 ALA C C 13 175.513 . . 1 . . . . 53 A C . 25518 1
24 . 1 1 53 53 ALA CA C 13 49.965 . . 1 . . . . 53 A CA . 25518 1
25 . 1 1 53 53 ALA CB C 13 21.803 . . 1 . . . . 53 A CB . 25518 1
26 . 1 1 53 53 ALA N N 15 132.548 . . 1 . . . . 53 A N . 25518 1
27 . 1 1 54 54 THR C C 13 173.120 . . 1 . . . . 54 T C . 25518 1
28 . 1 1 54 54 THR CA C 13 61.653 . . 1 . . . . 54 T CA . 25518 1
29 . 1 1 54 54 THR CB C 13 71.637 . . 1 . . . . 54 T CB . 25518 1
30 . 1 1 54 54 THR CG2 C 13 21.452 . . 1 . . . . 54 T CG2 . 25518 1
31 . 1 1 54 54 THR N N 15 121.284 . . 1 . . . . 54 T N . 25518 1
32 . 1 1 55 55 VAL N N 15 126.642 . . 1 . . . . 55 V N . 25518 1
33 . 1 1 63 63 VAL C C 13 174.862 . . 1 . . . . 63 V C . 25518 1
34 . 1 1 64 64 THR C C 13 172.484 . . 1 . . . . 64 T C . 25518 1
35 . 1 1 64 64 THR CA C 13 62.246 . . 1 . . . . 64 T CA . 25518 1
36 . 1 1 64 64 THR CB C 13 69.714 . . 1 . . . . 64 T CB . 25518 1
37 . 1 1 64 64 THR CG2 C 13 21.659 . . 1 . . . . 64 T CG2 . 25518 1
38 . 1 1 64 64 THR N N 15 126.324 . . 1 . . . . 64 T N . 25518 1
39 . 1 1 65 65 ASN C C 13 172.653 . . 1 . . . . 65 N C . 25518 1
40 . 1 1 65 65 ASN CA C 13 51.725 . . 1 . . . . 65 N CA . 25518 1
41 . 1 1 65 65 ASN N N 15 125.198 . . 1 . . . . 65 N N . 25518 1
42 . 1 1 66 66 VAL C C 13 177.605 . . 1 . . . . 66 V C . 25518 1
43 . 1 1 66 66 VAL CA C 13 60.743 . . 1 . . . . 66 V CA . 25518 1
44 . 1 1 66 66 VAL CB C 13 32.915 . . 1 . . . . 66 V CB . 25518 1
45 . 1 1 66 66 VAL N N 15 127.261 . . 1 . . . . 66 V N . 25518 1
46 . 1 1 67 67 GLY C C 13 172.181 . . 1 . . . . 67 G C . 25518 1
47 . 1 1 67 67 GLY CA C 13 46.639 . . 1 . . . . 67 G CA . 25518 1
48 . 1 1 67 67 GLY N N 15 111.118 . . 1 . . . . 67 G N . 25518 1
49 . 1 1 68 68 GLY C C 13 172.151 . . 1 . . . . 68 G C . 25518 1
50 . 1 1 68 68 GLY CA C 13 43.594 . . 1 . . . . 68 G CA . 25518 1
51 . 1 1 68 68 GLY N N 15 102.153 . . 1 . . . . 68 G N . 25518 1
52 . 1 1 69 69 ALA C C 13 175.361 . . 1 . . . . 69 A C . 25518 1
53 . 1 1 69 69 ALA CA C 13 50.313 . . 1 . . . . 69 A CA . 25518 1
54 . 1 1 69 69 ALA CB C 13 23.311 . . 1 . . . . 69 A CB . 25518 1
55 . 1 1 69 69 ALA N N 15 126.407 . . 1 . . . . 69 A N . 25518 1
56 . 1 1 70 70 VAL C C 13 174.613 . . 1 . . . . 70 V C . 25518 1
57 . 1 1 70 70 VAL CA C 13 60.022 . . 1 . . . . 70 V CA . 25518 1
58 . 1 1 70 70 VAL CB C 13 35.798 . . 1 . . . . 70 V CB . 25518 1
59 . 1 1 70 70 VAL CG1 C 13 21.396 . . 2 . . . . 70 V CG1 . 25518 1
60 . 1 1 70 70 VAL N N 15 120.533 . . 1 . . . . 70 V N . 25518 1
61 . 1 1 71 71 VAL C C 13 176.389 . . 1 . . . . 71 V C . 25518 1
62 . 1 1 71 71 VAL CA C 13 61.090 . . 1 . . . . 71 V CA . 25518 1
63 . 1 1 71 71 VAL CB C 13 35.143 . . 1 . . . . 71 V CB . 25518 1
64 . 1 1 71 71 VAL CG1 C 13 22.184 . . 2 . . . . 71 V CG1 . 25518 1
65 . 1 1 71 71 VAL N N 15 126.144 . . 1 . . . . 71 V N . 25518 1
66 . 1 1 72 72 THR C C 13 175.334 . . 1 . . . . 72 T C . 25518 1
67 . 1 1 72 72 THR CA C 13 59.398 . . 1 . . . . 72 T CA . 25518 1
68 . 1 1 72 72 THR CB C 13 69.392 . . 1 . . . . 72 T CB . 25518 1
69 . 1 1 72 72 THR CG2 C 13 22.095 . . 1 . . . . 72 T CG2 . 25518 1
70 . 1 1 72 72 THR N N 15 115.044 . . 1 . . . . 72 T N . 25518 1
71 . 1 1 73 73 GLY C C 13 173.390 . . 1 . . . . 73 G C . 25518 1
72 . 1 1 73 73 GLY CA C 13 44.000 . . 1 . . . . 73 G CA . 25518 1
73 . 1 1 73 73 GLY N N 15 109.086 . . 1 . . . . 73 G N . 25518 1
74 . 1 1 74 74 VAL C C 13 175.096 . . 1 . . . . 74 V C . 25518 1
75 . 1 1 74 74 VAL CA C 13 61.474 . . 1 . . . . 74 V CA . 25518 1
76 . 1 1 74 74 VAL CB C 13 34.814 . . 1 . . . . 74 V CB . 25518 1
77 . 1 1 74 74 VAL CG1 C 13 20.984 . . 2 . . . . 74 V CG1 . 25518 1
78 . 1 1 74 74 VAL CG2 C 13 19.541 . . 2 . . . . 74 V CG2 . 25518 1
79 . 1 1 74 74 VAL N N 15 124.252 . . 1 . . . . 74 V N . 25518 1
80 . 1 1 75 75 THR C C 13 172.037 . . 1 . . . . 75 T C . 25518 1
81 . 1 1 75 75 THR CA C 13 61.832 . . 1 . . . . 75 T CA . 25518 1
82 . 1 1 75 75 THR CB C 13 70.379 . . 1 . . . . 75 T CB . 25518 1
83 . 1 1 75 75 THR CG2 C 13 21.369 . . 1 . . . . 75 T CG2 . 25518 1
84 . 1 1 75 75 THR N N 15 127.768 . . 1 . . . . 75 T N . 25518 1
85 . 1 1 76 76 ALA C C 13 174.230 . . 1 . . . . 76 A C . 25518 1
86 . 1 1 76 76 ALA CA C 13 49.737 . . 1 . . . . 76 A CA . 25518 1
87 . 1 1 76 76 ALA CB C 13 21.330 . . 1 . . . . 76 A CB . 25518 1
88 . 1 1 76 76 ALA N N 15 130.323 . . 1 . . . . 76 A N . 25518 1
89 . 1 1 77 77 VAL C C 13 172.879 . . 1 . . . . 77 V C . 25518 1
90 . 1 1 77 77 VAL CA C 13 60.574 . . 1 . . . . 77 V CA . 25518 1
91 . 1 1 77 77 VAL CB C 13 35.830 . . 1 . . . . 77 V CB . 25518 1
92 . 1 1 77 77 VAL CG1 C 13 21.255 . . 2 . . . . 77 V CG1 . 25518 1
93 . 1 1 77 77 VAL CG2 C 13 20.365 . . 2 . . . . 77 V CG2 . 25518 1
94 . 1 1 77 77 VAL N N 15 123.944 . . 1 . . . . 77 V N . 25518 1
95 . 1 1 78 78 ALA C C 13 176.249 . . 1 . . . . 78 A C . 25518 1
96 . 1 1 78 78 ALA CA C 13 49.924 . . 1 . . . . 78 A CA . 25518 1
97 . 1 1 78 78 ALA CB C 13 24.971 . . 1 . . . . 78 A CB . 25518 1
98 . 1 1 78 78 ALA N N 15 129.879 . . 1 . . . . 78 A N . 25518 1
99 . 1 1 79 79 GLN C C 13 176.493 . . 1 . . . . 79 Q C . 25518 1
100 . 1 1 79 79 GLN CA C 13 52.448 . . 1 . . . . 79 Q CA . 25518 1
101 . 1 1 79 79 GLN CB C 13 32.950 . . 1 . . . . 79 Q CB . 25518 1
102 . 1 1 79 79 GLN CD C 13 177.555 . . 1 . . . . 79 Q CD . 25518 1
103 . 1 1 79 79 GLN N N 15 120.180 . . 1 . . . . 79 Q N . 25518 1
104 . 1 1 80 80 LYS C C 13 175.972 . . 1 . . . . 80 K C . 25518 1
105 . 1 1 80 80 LYS CA C 13 60.303 . . 1 . . . . 80 K CA . 25518 1
106 . 1 1 80 80 LYS CB C 13 32.442 . . 1 . . . . 80 K CB . 25518 1
107 . 1 1 80 80 LYS CG C 13 26.439 . . 1 . . . . 80 K CG . 25518 1
108 . 1 1 80 80 LYS CD C 13 31.381 . . 1 . . . . 80 K CD . 25518 1
109 . 1 1 80 80 LYS CE C 13 42.222 . . 1 . . . . 80 K CE . 25518 1
110 . 1 1 80 80 LYS N N 15 123.003 . . 1 . . . . 80 K N . 25518 1
111 . 1 1 81 81 THR C C 13 173.563 . . 1 . . . . 81 T C . 25518 1
112 . 1 1 81 81 THR CA C 13 60.943 . . 1 . . . . 81 T CA . 25518 1
113 . 1 1 81 81 THR CB C 13 72.207 . . 1 . . . . 81 T CB . 25518 1
114 . 1 1 81 81 THR CG2 C 13 22.451 . . 1 . . . . 81 T CG2 . 25518 1
115 . 1 1 81 81 THR N N 15 113.180 . . 1 . . . . 81 T N . 25518 1
116 . 1 1 82 82 VAL C C 13 174.640 . . 1 . . . . 82 V C . 25518 1
117 . 1 1 82 82 VAL CA C 13 61.494 . . 1 . . . . 82 V CA . 25518 1
118 . 1 1 82 82 VAL CB C 13 34.093 . . 1 . . . . 82 V CB . 25518 1
119 . 1 1 82 82 VAL N N 15 125.884 . . 1 . . . . 82 V N . 25518 1
120 . 1 1 83 83 GLU C C 13 175.130 . . 1 . . . . 83 E C . 25518 1
121 . 1 1 83 83 GLU CA C 13 53.987 . . 1 . . . . 83 E CA . 25518 1
122 . 1 1 83 83 GLU CB C 13 32.351 . . 1 . . . . 83 E CB . 25518 1
123 . 1 1 83 83 GLU N N 15 126.446 . . 1 . . . . 83 E N . 25518 1
124 . 1 1 84 84 GLY C C 13 173.473 . . 1 . . . . 84 G C . 25518 1
125 . 1 1 84 84 GLY CA C 13 45.024 . . 1 . . . . 84 G CA . 25518 1
126 . 1 1 84 84 GLY N N 15 112.672 . . 1 . . . . 84 G N . 25518 1
127 . 1 1 85 85 ALA C C 13 179.608 . . 1 . . . . 85 A C . 25518 1
128 . 1 1 85 85 ALA CA C 13 53.272 . . 1 . . . . 85 A CA . 25518 1
129 . 1 1 85 85 ALA CB C 13 18.375 . . 1 . . . . 85 A CB . 25518 1
130 . 1 1 85 85 ALA N N 15 130.704 . . 1 . . . . 85 A N . 25518 1
131 . 1 1 86 86 GLY C C 13 173.684 . . 1 . . . . 86 G C . 25518 1
132 . 1 1 86 86 GLY CA C 13 46.683 . . 1 . . . . 86 G CA . 25518 1
133 . 1 1 87 87 SER C C 13 173.366 . . 1 . . . . 87 S C . 25518 1
134 . 1 1 87 87 SER CA C 13 58.806 . . 1 . . . . 87 S CA . 25518 1
135 . 1 1 87 87 SER CB C 13 64.701 . . 1 . . . . 87 S CB . 25518 1
136 . 1 1 87 87 SER N N 15 115.884 . . 1 . . . . 87 S N . 25518 1
137 . 1 1 88 88 ILE C C 13 175.556 . . 1 . . . . 88 I C . 25518 1
138 . 1 1 88 88 ILE CA C 13 60.064 . . 1 . . . . 88 I CA . 25518 1
139 . 1 1 88 88 ILE CB C 13 40.393 . . 1 . . . . 88 I CB . 25518 1
140 . 1 1 88 88 ILE CG1 C 13 27.327 . . 1 . . . . 88 I CG1 . 25518 1
141 . 1 1 88 88 ILE CG2 C 13 17.536 . . 1 . . . . 88 I CG2 . 25518 1
142 . 1 1 88 88 ILE CD1 C 13 13.472 . . 1 . . . . 88 I CD1 . 25518 1
143 . 1 1 88 88 ILE N N 15 121.553 . . 1 . . . . 88 I N . 25518 1
144 . 1 1 89 89 ALA C C 13 176.840 . . 1 . . . . 89 A C . 25518 1
145 . 1 1 89 89 ALA CA C 13 54.883 . . 1 . . . . 89 A CA . 25518 1
146 . 1 1 89 89 ALA CB C 13 18.680 . . 1 . . . . 89 A CB . 25518 1
147 . 1 1 89 89 ALA N N 15 129.351 . . 1 . . . . 89 A N . 25518 1
148 . 1 1 90 90 ALA C C 13 174.639 . . 1 . . . . 90 A C . 25518 1
149 . 1 1 90 90 ALA CA C 13 51.277 . . 1 . . . . 90 A CA . 25518 1
150 . 1 1 90 90 ALA CB C 13 20.994 . . 1 . . . . 90 A CB . 25518 1
151 . 1 1 90 90 ALA N N 15 123.076 . . 1 . . . . 90 A N . 25518 1
152 . 1 1 91 91 ALA C C 13 175.536 . . 1 . . . . 91 A C . 25518 1
153 . 1 1 91 91 ALA CA C 13 49.672 . . 1 . . . . 91 A CA . 25518 1
154 . 1 1 91 91 ALA CB C 13 23.015 . . 1 . . . . 91 A CB . 25518 1
155 . 1 1 91 91 ALA N N 15 127.390 . . 1 . . . . 91 A N . 25518 1
156 . 1 1 92 92 THR C C 13 174.519 . . 1 . . . . 92 T C . 25518 1
157 . 1 1 92 92 THR CA C 13 61.034 . . 1 . . . . 92 T CA . 25518 1
158 . 1 1 92 92 THR CB C 13 69.790 . . 1 . . . . 92 T CB . 25518 1
159 . 1 1 92 92 THR CG2 C 13 21.834 . . 1 . . . . 92 T CG2 . 25518 1
160 . 1 1 92 92 THR N N 15 125.490 . . 1 . . . . 92 T N . 25518 1
161 . 1 1 93 93 GLY C C 13 169.939 . . 1 . . . . 93 G C . 25518 1
162 . 1 1 93 93 GLY CA C 13 47.427 . . 1 . . . . 93 G CA . 25518 1
163 . 1 1 93 93 GLY N N 15 114.555 . . 1 . . . . 93 G N . 25518 1
164 . 1 1 94 94 PHE C C 13 173.717 . . 1 . . . . 94 F C . 25518 1
165 . 1 1 94 94 PHE CA C 13 54.430 . . 1 . . . . 94 F CA . 25518 1
166 . 1 1 94 94 PHE CB C 13 45.818 . . 1 . . . . 94 F CB . 25518 1
167 . 1 1 95 95 VAL C C 13 171.410 . . 1 . . . . 95 V C . 25518 1
168 . 1 1 95 95 VAL CA C 13 61.247 . . 1 . . . . 95 V CA . 25518 1
169 . 1 1 95 95 VAL CB C 13 34.802 . . 1 . . . . 95 V CB . 25518 1
170 . 1 1 95 95 VAL CG1 C 13 22.176 . . 2 . . . . 95 V CG1 . 25518 1
171 . 1 1 95 95 VAL CG2 C 13 20.475 . . 2 . . . . 95 V CG2 . 25518 1
172 . 1 1 95 95 VAL N N 15 127.862 . . 1 . . . . 95 V N . 25518 1
173 . 1 1 96 96 LYS CA C 13 54.991 . . 1 . . . . 96 K CA . 25518 1
174 . 1 1 96 96 LYS N N 15 132.994 . . 1 . . . . 96 K N . 25518 1
stop_
save_