###################################
# 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 2542
_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 . 2542 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 2 2 VAL N N 15 129.1 . . 1 . . . . . . . . 2542 1
2 . 1 1 3 3 PHE N N 15 129.7 . . 1 . . . . . . . . 2542 1
3 . 1 1 4 4 GLU N N 15 122.4 . . 1 . . . . . . . . 2542 1
4 . 1 1 5 5 ARG N N 15 127.9 . . 1 . . . . . . . . 2542 1
5 . 1 1 6 6 CYS N N 15 116.6 . . 1 . . . . . . . . 2542 1
6 . 1 1 7 7 GLU N N 15 125.8 . . 1 . . . . . . . . 2542 1
7 . 1 1 8 8 LEU N N 15 124.1 . . 1 . . . . . . . . 2542 1
8 . 1 1 9 9 ALA N N 15 126 . . 1 . . . . . . . . 2542 1
9 . 1 1 10 10 ARG N N 15 117.4 . . 1 . . . . . . . . 2542 1
10 . 1 1 11 11 THR N N 15 120.8 . . 1 . . . . . . . . 2542 1
11 . 1 1 12 12 LEU N N 15 121.4 . . 1 . . . . . . . . 2542 1
12 . 1 1 13 13 LYS N N 15 121.6 . . 1 . . . . . . . . 2542 1
13 . 1 1 14 14 ARG N N 15 123.8 . . 1 . . . . . . . . 2542 1
14 . 1 1 15 15 LEU N N 15 119.3 . . 1 . . . . . . . . 2542 1
15 . 1 1 16 16 GLY N N 15 108.6 . . 1 . . . . . . . . 2542 1
16 . 1 1 17 17 MET N N 15 116.4 . . 1 . . . . . . . . 2542 1
17 . 1 1 18 18 ASP N N 15 120.6 . . 1 . . . . . . . . 2542 1
18 . 1 1 19 19 GLY N N 15 121.4 . . 1 . . . . . . . . 2542 1
19 . 1 1 20 20 TYR N N 15 128.4 . . 1 . . . . . . . . 2542 1
20 . 1 1 21 21 ARG N N 15 128.1 . . 1 . . . . . . . . 2542 1
21 . 1 1 22 22 GLY N N 15 105.5 . . 1 . . . . . . . . 2542 1
22 . 1 1 23 23 ILE N N 15 126.6 . . 1 . . . . . . . . 2542 1
23 . 1 1 24 24 SER N N 15 125.2 . . 1 . . . . . . . . 2542 1
24 . 1 1 25 25 LEU N N 15 124.1 . . 1 . . . . . . . . 2542 1
25 . 1 1 26 26 ALA N N 15 120.8 . . 1 . . . . . . . . 2542 1
26 . 1 1 27 27 ASN ND2 N 15 116.7 . . 1 . . . . . . . . 2542 1
27 . 1 1 27 27 ASN N N 15 119.1 . . 1 . . . . . . . . 2542 1
28 . 1 1 28 28 TRP NE1 N 15 130.8 . . 1 . . . . . . . . 2542 1
29 . 1 1 28 28 TRP N N 15 122.3 . . 1 . . . . . . . . 2542 1
30 . 1 1 29 29 MET N N 15 118.7 . . 1 . . . . . . . . 2542 1
31 . 1 1 30 30 CYS N N 15 122 . . 1 . . . . . . . . 2542 1
32 . 1 1 31 31 LEU N N 15 120.9 . . 1 . . . . . . . . 2542 1
33 . 1 1 32 32 ALA N N 15 121.4 . . 1 . . . . . . . . 2542 1
34 . 1 1 33 33 LYS N N 15 122.1 . . 1 . . . . . . . . 2542 1
35 . 1 1 34 34 TRP NE1 N 15 129.2 . . 1 . . . . . . . . 2542 1
36 . 1 1 34 34 TRP N N 15 120.1 . . 1 . . . . . . . . 2542 1
37 . 1 1 35 35 GLU N N 15 118.5 . . 1 . . . . . . . . 2542 1
38 . 1 1 36 36 SER N N 15 110.2 . . 1 . . . . . . . . 2542 1
39 . 1 1 37 37 GLY N N 15 118.3 . . 1 . . . . . . . . 2542 1
40 . 1 1 38 38 TYR N N 15 110.8 . . 1 . . . . . . . . 2542 1
41 . 1 1 39 39 ASN ND2 N 15 113.5 . . 1 . . . . . . . . 2542 1
42 . 1 1 39 39 ASN N N 15 119.6 . . 1 . . . . . . . . 2542 1
43 . 1 1 40 40 THR N N 15 117.6 . . 1 . . . . . . . . 2542 1
44 . 1 1 41 41 ARG N N 15 114.1 . . 1 . . . . . . . . 2542 1
45 . 1 1 42 42 ALA N N 15 124.9 . . 1 . . . . . . . . 2542 1
46 . 1 1 43 43 THR N N 15 116.2 . . 1 . . . . . . . . 2542 1
47 . 1 1 44 44 ASN ND2 N 15 116.8 . . 1 . . . . . . . . 2542 1
48 . 1 1 44 44 ASN N N 15 121.5 . . 1 . . . . . . . . 2542 1
49 . 1 1 45 45 TYR N N 15 129.6 . . 1 . . . . . . . . 2542 1
50 . 1 1 46 46 ASN ND2 N 15 116.1 . . 1 . . . . . . . . 2542 1
51 . 1 1 46 46 ASN N N 15 130.3 . . 1 . . . . . . . . 2542 1
52 . 1 1 47 47 ALA N N 15 127.8 . . 1 . . . . . . . . 2542 1
53 . 1 1 48 48 GLY N N 15 106.4 . . 1 . . . . . . . . 2542 1
54 . 1 1 49 49 ASP N N 15 119.1 . . 1 . . . . . . . . 2542 1
55 . 1 1 50 50 ARG N N 15 116.6 . . 1 . . . . . . . . 2542 1
56 . 1 1 51 51 SER N N 15 115.9 . . 1 . . . . . . . . 2542 1
57 . 1 1 52 52 THR N N 15 118.5 . . 1 . . . . . . . . 2542 1
58 . 1 1 53 53 ASP N N 15 126.7 . . 1 . . . . . . . . 2542 1
59 . 1 1 54 54 TYR N N 15 120.7 . . 1 . . . . . . . . 2542 1
60 . 1 1 55 55 GLY N N 15 114.6 . . 1 . . . . . . . . 2542 1
61 . 1 1 56 56 ILE N N 15 123.9 . . 1 . . . . . . . . 2542 1
62 . 1 1 57 57 PHE N N 15 117.6 . . 1 . . . . . . . . 2542 1
63 . 1 1 58 58 GLN NE2 N 15 117.8 . . 1 . . . . . . . . 2542 1
64 . 1 1 58 58 GLN N N 15 116.2 . . 1 . . . . . . . . 2542 1
65 . 1 1 59 59 ILE N N 15 124.3 . . 1 . . . . . . . . 2542 1
66 . 1 1 60 60 ASN ND2 N 15 117.8 . . 1 . . . . . . . . 2542 1
67 . 1 1 60 60 ASN N N 15 129.9 . . 1 . . . . . . . . 2542 1
68 . 1 1 61 61 SER N N 15 121.6 . . 1 . . . . . . . . 2542 1
69 . 1 1 62 62 ARG N N 15 126 . . 1 . . . . . . . . 2542 1
70 . 1 1 63 63 TYR N N 15 116.5 . . 1 . . . . . . . . 2542 1
71 . 1 1 64 64 TRP NE1 N 15 130.3 . . 1 . . . . . . . . 2542 1
72 . 1 1 64 64 TRP N N 15 116.9 . . 1 . . . . . . . . 2542 1
73 . 1 1 65 65 CYS N N 15 113.4 . . 1 . . . . . . . . 2542 1
74 . 1 1 66 66 ASN ND2 N 15 115.3 . . 1 . . . . . . . . 2542 1
75 . 1 1 66 66 ASN N N 15 121.6 . . 1 . . . . . . . . 2542 1
76 . 1 1 67 67 ASP N N 15 133.4 . . 1 . . . . . . . . 2542 1
77 . 1 1 68 68 GLY N N 15 110.9 . . 1 . . . . . . . . 2542 1
78 . 1 1 69 69 LYS N N 15 120 . . 1 . . . . . . . . 2542 1
79 . 1 1 70 70 THR N N 15 122.9 . . 1 . . . . . . . . 2542 1
80 . 1 1 72 72 GLY N N 15 112.5 . . 1 . . . . . . . . 2542 1
81 . 1 1 73 73 ALA N N 15 113.1 . . 1 . . . . . . . . 2542 1
82 . 1 1 74 74 VAL N N 15 122.7 . . 1 . . . . . . . . 2542 1
83 . 1 1 75 75 ASN ND2 N 15 107.5 . . 1 . . . . . . . . 2542 1
84 . 1 1 75 75 ASN N N 15 120.9 . . 1 . . . . . . . . 2542 1
85 . 1 1 76 76 ALA N N 15 122.8 . . 1 . . . . . . . . 2542 1
86 . 1 1 77 77 CYS N N 15 113 . . 1 . . . . . . . . 2542 1
87 . 1 1 78 78 HIS N N 15 119.8 . . 1 . . . . . . . . 2542 1
88 . 1 1 79 79 LEU N N 15 120.4 . . 1 . . . . . . . . 2542 1
89 . 1 1 80 80 SER N N 15 119.6 . . 1 . . . . . . . . 2542 1
90 . 1 1 81 81 CYS N N 15 128 . . 1 . . . . . . . . 2542 1
91 . 1 1 82 82 SER N N 15 116.7 . . 1 . . . . . . . . 2542 1
92 . 1 1 83 83 ALA N N 15 128 . . 1 . . . . . . . . 2542 1
93 . 1 1 84 84 LEU N N 15 118.7 . . 1 . . . . . . . . 2542 1
94 . 1 1 85 85 LEU N N 15 119.8 . . 1 . . . . . . . . 2542 1
95 . 1 1 86 86 GLN NE2 N 15 115.1 . . 1 . . . . . . . . 2542 1
96 . 1 1 86 86 GLN N N 15 118.6 . . 1 . . . . . . . . 2542 1
97 . 1 1 87 87 ASP N N 15 122.3 . . 1 . . . . . . . . 2542 1
98 . 1 1 88 88 ASN ND2 N 15 114.3 . . 1 . . . . . . . . 2542 1
99 . 1 1 88 88 ASN N N 15 116.7 . . 1 . . . . . . . . 2542 1
100 . 1 1 89 89 ILE N N 15 120.4 . . 1 . . . . . . . . 2542 1
101 . 1 1 90 90 ALA N N 15 128.2 . . 1 . . . . . . . . 2542 1
102 . 1 1 91 91 ASP N N 15 120.4 . . 1 . . . . . . . . 2542 1
103 . 1 1 92 92 ALA N N 15 125.3 . . 1 . . . . . . . . 2542 1
104 . 1 1 93 93 VAL N N 15 120.4 . . 1 . . . . . . . . 2542 1
105 . 1 1 94 94 ALA N N 15 123.7 . . 1 . . . . . . . . 2542 1
106 . 1 1 95 95 CYS N N 15 117.8 . . 1 . . . . . . . . 2542 1
107 . 1 1 96 96 ALA N N 15 126.5 . . 1 . . . . . . . . 2542 1
108 . 1 1 97 97 LYS N N 15 116.5 . . 1 . . . . . . . . 2542 1
109 . 1 1 98 98 ARG N N 15 120.6 . . 1 . . . . . . . . 2542 1
110 . 1 1 99 99 VAL N N 15 125.4 . . 1 . . . . . . . . 2542 1
111 . 1 1 100 100 VAL N N 15 110.8 . . 1 . . . . . . . . 2542 1
112 . 1 1 101 101 ARG N N 15 119.5 . . 1 . . . . . . . . 2542 1
113 . 1 1 102 102 ASP N N 15 123.5 . . 1 . . . . . . . . 2542 1
114 . 1 1 104 104 GLN NE2 N 15 113.4 . . 1 . . . . . . . . 2542 1
115 . 1 1 104 104 GLN N N 15 116.2 . . 1 . . . . . . . . 2542 1
116 . 1 1 105 105 GLY N N 15 111 . . 1 . . . . . . . . 2542 1
117 . 1 1 106 106 ILE N N 15 128.4 . . 1 . . . . . . . . 2542 1
118 . 1 1 107 107 ARG N N 15 119.1 . . 1 . . . . . . . . 2542 1
119 . 1 1 108 108 ALA N N 15 122.4 . . 1 . . . . . . . . 2542 1
120 . 1 1 109 109 TRP NE1 N 15 132.4 . . 1 . . . . . . . . 2542 1
121 . 1 1 109 109 TRP N N 15 118.8 . . 1 . . . . . . . . 2542 1
122 . 1 1 110 110 VAL N N 15 126.3 . . 1 . . . . . . . . 2542 1
123 . 1 1 111 111 ALA N N 15 122.3 . . 1 . . . . . . . . 2542 1
124 . 1 1 112 112 TRP NE1 N 15 130.6 . . 1 . . . . . . . . 2542 1
125 . 1 1 112 112 TRP N N 15 117.1 . . 1 . . . . . . . . 2542 1
126 . 1 1 113 113 ARG N N 15 121 . . 1 . . . . . . . . 2542 1
127 . 1 1 114 114 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 2542 1
128 . 1 1 114 114 ASN N N 15 114 . . 1 . . . . . . . . 2542 1
129 . 1 1 115 115 ARG N N 15 116.2 . . 1 . . . . . . . . 2542 1
130 . 1 1 116 116 CYS N N 15 116.7 . . 1 . . . . . . . . 2542 1
131 . 1 1 117 117 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 2542 1
132 . 1 1 117 117 GLN N N 15 123 . . 1 . . . . . . . . 2542 1
133 . 1 1 118 118 ASN ND2 N 15 114.9 . . 1 . . . . . . . . 2542 1
134 . 1 1 118 118 ASN N N 15 121.6 . . 1 . . . . . . . . 2542 1
135 . 1 1 119 119 ARG N N 15 118.9 . . 1 . . . . . . . . 2542 1
136 . 1 1 120 120 ASP N N 15 121.5 . . 1 . . . . . . . . 2542 1
137 . 1 1 121 121 VAL N N 15 120.8 . . 1 . . . . . . . . 2542 1
138 . 1 1 122 122 ARG N N 15 125.8 . . 1 . . . . . . . . 2542 1
139 . 1 1 123 123 GLN NE2 N 15 113.5 . . 1 . . . . . . . . 2542 1
140 . 1 1 123 123 GLN N N 15 118.2 . . 1 . . . . . . . . 2542 1
141 . 1 1 124 124 TYR N N 15 118.8 . . 1 . . . . . . . . 2542 1
142 . 1 1 125 125 VAL N N 15 107.1 . . 1 . . . . . . . . 2542 1
143 . 1 1 126 126 GLN NE2 N 15 113.3 . . 1 . . . . . . . . 2542 1
144 . 1 1 126 126 GLN N N 15 126.7 . . 1 . . . . . . . . 2542 1
145 . 1 1 127 127 GLY N N 15 115.7 . . 1 . . . . . . . . 2542 1
146 . 1 1 128 128 CYS N N 15 116.5 . . 1 . . . . . . . . 2542 1
147 . 1 1 129 129 GLY N N 15 113.8 . . 1 . . . . . . . . 2542 1
148 . 1 1 130 130 VAL N N 15 119.1 . . 1 . . . . . . . . 2542 1
stop_
save_