###################################
# 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_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 1813
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1813 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 3 3 LYS N N 15 119.8 . . 1 . . . . . . . . 1813 1
2 . 1 1 4 4 ILE N N 15 120.8 . . 1 . . . . . . . . 1813 1
3 . 1 1 5 5 ILE N N 15 126.4 . . 1 . . . . . . . . 1813 1
4 . 1 1 6 6 HIS N N 15 126.3 . . 1 . . . . . . . . 1813 1
5 . 1 1 7 7 LEU N N 15 124.8 . . 1 . . . . . . . . 1813 1
6 . 1 1 8 8 THR N N 15 108.4 . . 1 . . . . . . . . 1813 1
7 . 1 1 9 9 ASP N N 15 120.1 . . 1 . . . . . . . . 1813 1
8 . 1 1 10 10 ASP N N 15 116.4 . . 1 . . . . . . . . 1813 1
9 . 1 1 11 11 SER N N 15 117.4 . . 1 . . . . . . . . 1813 1
10 . 1 1 12 12 PHE N N 15 125.5 . . 1 . . . . . . . . 1813 1
11 . 1 1 13 13 ASP N N 15 117.4 . . 1 . . . . . . . . 1813 1
12 . 1 1 14 14 THR N N 15 112.5 . . 1 . . . . . . . . 1813 1
13 . 1 1 15 15 ASP N N 15 118.7 . . 1 . . . . . . . . 1813 1
14 . 1 1 16 16 VAL N N 15 113.3 . . 1 . . . . . . . . 1813 1
15 . 1 1 17 17 LEU N N 15 116.5 . . 1 . . . . . . . . 1813 1
16 . 1 1 18 18 LYS N N 15 115.3 . . 1 . . . . . . . . 1813 1
17 . 1 1 19 19 ALA N N 15 122.5 . . 1 . . . . . . . . 1813 1
18 . 1 1 20 20 ASP N N 15 121.1 . . 1 . . . . . . . . 1813 1
19 . 1 1 21 21 GLY N N 15 108.7 . . 1 . . . . . . . . 1813 1
20 . 1 1 22 22 ALA N N 15 123.6 . . 1 . . . . . . . . 1813 1
21 . 1 1 23 23 ILE N N 15 123.8 . . 1 . . . . . . . . 1813 1
22 . 1 1 24 24 LEU N N 15 130.6 . . 1 . . . . . . . . 1813 1
23 . 1 1 25 25 VAL N N 15 126.8 . . 1 . . . . . . . . 1813 1
24 . 1 1 26 26 ASP N N 15 124.6 . . 1 . . . . . . . . 1813 1
25 . 1 1 27 27 PHE N N 15 128.6 . . 1 . . . . . . . . 1813 1
26 . 1 1 28 28 TRP N N 15 120 . . 1 . . . . . . . . 1813 1
27 . 1 1 29 29 ALA N N 15 116.7 . . 1 . . . . . . . . 1813 1
28 . 1 1 30 30 GLU N N 15 121.7 . . 1 . . . . . . . . 1813 1
29 . 1 1 31 31 TRP N N 15 111.7 . . 1 . . . . . . . . 1813 1
30 . 1 1 32 32 CYS N N 15 120.8 . . 1 . . . . . . . . 1813 1
31 . 1 1 33 33 GLY N N 15 121.6 . . 1 . . . . . . . . 1813 1
32 . 1 1 35 35 CYS N N 15 111.1 . . 1 . . . . . . . . 1813 1
33 . 1 1 36 36 LYS N N 15 121.7 . . 1 . . . . . . . . 1813 1
34 . 1 1 37 37 MET N N 15 117.7 . . 1 . . . . . . . . 1813 1
35 . 1 1 38 38 ILE N N 15 109.8 . . 1 . . . . . . . . 1813 1
36 . 1 1 39 39 ALA N N 15 125.4 . . 1 . . . . . . . . 1813 1
37 . 1 1 41 41 ILE N N 15 116.7 . . 1 . . . . . . . . 1813 1
38 . 1 1 42 42 LEU N N 15 119.6 . . 1 . . . . . . . . 1813 1
39 . 1 1 43 43 ASP N N 15 118.6 . . 1 . . . . . . . . 1813 1
40 . 1 1 44 44 GLU N N 15 118.5 . . 1 . . . . . . . . 1813 1
41 . 1 1 45 45 ILE N N 15 121 . . 1 . . . . . . . . 1813 1
42 . 1 1 46 46 ALA N N 15 122.5 . . 1 . . . . . . . . 1813 1
43 . 1 1 47 47 ASP N N 15 115.2 . . 1 . . . . . . . . 1813 1
44 . 1 1 48 48 GLU N N 15 120.6 . . 1 . . . . . . . . 1813 1
45 . 1 1 49 49 TYR N N 15 115.5 . . 1 . . . . . . . . 1813 1
46 . 1 1 50 50 GLN N N 15 121.5 . . 1 . . . . . . . . 1813 1
47 . 1 1 51 51 GLY N N 15 115.5 . . 1 . . . . . . . . 1813 1
48 . 1 1 52 52 LYS N N 15 118.2 . . 1 . . . . . . . . 1813 1
49 . 1 1 53 53 LEU N N 15 119.5 . . 1 . . . . . . . . 1813 1
50 . 1 1 54 54 THR N N 15 123.5 . . 1 . . . . . . . . 1813 1
51 . 1 1 55 55 VAL N N 15 129.9 . . 1 . . . . . . . . 1813 1
52 . 1 1 56 56 ALA N N 15 129.4 . . 1 . . . . . . . . 1813 1
53 . 1 1 57 57 LYS N N 15 118.4 . . 1 . . . . . . . . 1813 1
54 . 1 1 58 58 LEU N N 15 123.5 . . 1 . . . . . . . . 1813 1
55 . 1 1 59 59 ASN N N 15 126.7 . . 1 . . . . . . . . 1813 1
56 . 1 1 60 60 ILE N N 15 122.4 . . 1 . . . . . . . . 1813 1
57 . 1 1 61 61 ASP N N 15 122.2 . . 1 . . . . . . . . 1813 1
58 . 1 1 62 62 GLN N N 15 116.1 . . 1 . . . . . . . . 1813 1
59 . 1 1 63 63 ASN N N 15 116.4 . . 1 . . . . . . . . 1813 1
60 . 1 1 65 65 GLY N N 15 112.4 . . 1 . . . . . . . . 1813 1
61 . 1 1 66 66 THR N N 15 118.8 . . 1 . . . . . . . . 1813 1
62 . 1 1 67 67 ALA N N 15 124.2 . . 1 . . . . . . . . 1813 1
63 . 1 1 69 69 LYS N N 15 117.1 . . 1 . . . . . . . . 1813 1
64 . 1 1 70 70 TYR N N 15 114.7 . . 1 . . . . . . . . 1813 1
65 . 1 1 71 71 GLY N N 15 108.1 . . 1 . . . . . . . . 1813 1
66 . 1 1 72 72 ILE N N 15 119.3 . . 1 . . . . . . . . 1813 1
67 . 1 1 73 73 ARG N N 15 128.2 . . 1 . . . . . . . . 1813 1
68 . 1 1 74 74 GLY N N 15 108.4 . . 1 . . . . . . . . 1813 1
69 . 1 1 75 75 ILE N N 15 113.3 . . 1 . . . . . . . . 1813 1
70 . 1 1 77 77 THR N N 15 118.7 . . 1 . . . . . . . . 1813 1
71 . 1 1 78 78 LEU N N 15 127 . . 1 . . . . . . . . 1813 1
72 . 1 1 79 79 LEU N N 15 122 . . 1 . . . . . . . . 1813 1
73 . 1 1 80 80 LEU N N 15 125.4 . . 1 . . . . . . . . 1813 1
74 . 1 1 81 81 PHE N N 15 128.5 . . 1 . . . . . . . . 1813 1
75 . 1 1 82 82 LYS N N 15 117.5 . . 1 . . . . . . . . 1813 1
76 . 1 1 83 83 ASN N N 15 124.2 . . 1 . . . . . . . . 1813 1
77 . 1 1 84 84 GLY N N 15 104.4 . . 1 . . . . . . . . 1813 1
78 . 1 1 85 85 GLU N N 15 118.7 . . 1 . . . . . . . . 1813 1
79 . 1 1 86 86 VAL N N 15 123.1 . . 1 . . . . . . . . 1813 1
80 . 1 1 87 87 ALA N N 15 133.4 . . 1 . . . . . . . . 1813 1
81 . 1 1 88 88 ALA N N 15 117.4 . . 1 . . . . . . . . 1813 1
82 . 1 1 89 89 THR N N 15 115.4 . . 1 . . . . . . . . 1813 1
83 . 1 1 90 90 LYS N N 15 126.2 . . 1 . . . . . . . . 1813 1
84 . 1 1 91 91 VAL N N 15 125.6 . . 1 . . . . . . . . 1813 1
85 . 1 1 92 92 GLY N N 15 113.3 . . 1 . . . . . . . . 1813 1
86 . 1 1 93 93 ALA N N 15 118.3 . . 1 . . . . . . . . 1813 1
87 . 1 1 94 94 LEU N N 15 119.4 . . 1 . . . . . . . . 1813 1
88 . 1 1 95 95 SER N N 15 120.7 . . 1 . . . . . . . . 1813 1
89 . 1 1 96 96 LYS N N 15 121.6 . . 1 . . . . . . . . 1813 1
90 . 1 1 97 97 GLY N N 15 105.6 . . 1 . . . . . . . . 1813 1
91 . 1 1 98 98 GLN N N 15 120.9 . . 1 . . . . . . . . 1813 1
92 . 1 1 99 99 LEU N N 15 123.6 . . 1 . . . . . . . . 1813 1
93 . 1 1 100 100 LYS N N 15 119.8 . . 1 . . . . . . . . 1813 1
94 . 1 1 101 101 GLU N N 15 117.9 . . 1 . . . . . . . . 1813 1
95 . 1 1 102 102 PHE N N 15 120.3 . . 1 . . . . . . . . 1813 1
96 . 1 1 103 103 LEU N N 15 121.2 . . 1 . . . . . . . . 1813 1
97 . 1 1 104 104 ASP N N 15 120.2 . . 1 . . . . . . . . 1813 1
98 . 1 1 105 105 ALA N N 15 118.5 . . 1 . . . . . . . . 1813 1
99 . 1 1 106 106 ASN N N 15 113.2 . . 1 . . . . . . . . 1813 1
100 . 1 1 107 107 LEU N N 15 121 . . 1 . . . . . . . . 1813 1
101 . 1 1 108 108 ALA N N 15 128.9 . . 1 . . . . . . . . 1813 1
stop_
save_