###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50430
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assigned_chemical_shifts_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 $chem_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' . . . 50430 1
2 '3D HNCACB' . . . 50430 1
3 '3D 1H-15N NOESY' . . . 50430 1
4 '3D CBCA(CO)NH' . . . 50430 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 $software_1 . . 50430 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 3 3 GLU H H 1 8.536 0.00 . 1 . . . . . 45 GLU HN . 50430 1
2 . 1 . 1 3 3 GLU N N 15 121.385 0.00 . 1 . . . . . 45 GLU N . 50430 1
3 . 1 . 1 4 4 ASP H H 1 8.400 0.00 . 1 . . . . . 46 ASP HN . 50430 1
4 . 1 . 1 4 4 ASP N N 15 119.558 0.00 . 1 . . . . . 46 ASP N . 50430 1
5 . 1 . 1 5 5 SER H H 1 8.061 0.00 . 1 . . . . . 47 SER HN . 50430 1
6 . 1 . 1 5 5 SER N N 15 114.912 0.00 . 1 . . . . . 47 SER N . 50430 1
7 . 1 . 1 6 6 ILE H H 1 8.091 0.00 . 1 . . . . . 48 ILE HN . 50430 1
8 . 1 . 1 6 6 ILE N N 15 121.982 0.00 . 1 . . . . . 48 ILE N . 50430 1
9 . 1 . 1 7 7 ARG H H 1 8.750 0.00 . 1 . . . . . 49 ARG HN . 50430 1
10 . 1 . 1 7 7 ARG N N 15 127.207 0.00 . 1 . . . . . 49 ARG N . 50430 1
11 . 1 . 1 8 8 LEU H H 1 8.248 0.00 . 1 . . . . . 50 LEU HN . 50430 1
12 . 1 . 1 8 8 LEU N N 15 124.936 0.00 . 1 . . . . . 50 LEU N . 50430 1
13 . 1 . 1 10 10 ALA H H 1 8.570 0.13 . 1 . . . . . 52 ALA HN . 50430 1
14 . 1 . 1 10 10 ALA N N 15 124.064 0.60 . 1 . . . . . 52 ALA N . 50430 1
15 . 1 . 1 11 11 HIS H H 1 8.233 0.00 . 1 . . . . . 53 HIS HN . 50430 1
16 . 1 . 1 11 11 HIS N N 15 112.396 0.00 . 1 . . . . . 53 HIS N . 50430 1
17 . 1 . 1 12 12 LEU H H 1 7.088 0.00 . 1 . . . . . 54 LEU HN . 50430 1
18 . 1 . 1 12 12 LEU N N 15 120.134 0.00 . 1 . . . . . 54 LEU N . 50430 1
19 . 1 . 1 13 13 ARG H H 1 7.313 0.00 . 1 . . . . . 55 ARG HN . 50430 1
20 . 1 . 1 13 13 ARG N N 15 116.888 0.00 . 1 . . . . . 55 ARG N . 50430 1
21 . 1 . 1 14 14 LEU H H 1 7.929 0.00 . 1 . . . . . 56 LEU HN . 50430 1
22 . 1 . 1 14 14 LEU N N 15 120.589 0.00 . 1 . . . . . 56 LEU N . 50430 1
23 . 1 . 1 17 17 ILE H H 1 7.189 0.00 . 1 . . . . . 59 ILE HN . 50430 1
24 . 1 . 1 17 17 ILE N N 15 113.508 0.00 . 1 . . . . . 59 ILE N . 50430 1
25 . 1 . 1 18 18 TYR H H 1 7.886 0.00 . 1 . . . . . 60 TYR HN . 50430 1
26 . 1 . 1 18 18 TYR N N 15 119.822 0.00 . 1 . . . . . 60 TYR N . 50430 1
27 . 1 . 1 19 19 TRP H H 1 8.025 0.00 . 1 . . . . . 61 TRP HN . 50430 1
28 . 1 . 1 19 19 TRP N N 15 121.503 0.00 . 1 . . . . . 61 TRP N . 50430 1
29 . 1 . 1 20 20 SER H H 1 10.647 0.00 . 1 . . . . . 62 SER HN . 50430 1
30 . 1 . 1 20 20 SER N N 15 125.532 0.00 . 1 . . . . . 62 SER N . 50430 1
31 . 1 . 1 21 21 ARG H H 1 9.240 0.00 . 1 . . . . . 63 ARG HN . 50430 1
32 . 1 . 1 21 21 ARG N N 15 120.599 0.00 . 1 . . . . . 63 ARG N . 50430 1
33 . 1 . 1 23 23 ASP H H 1 7.848 0.00 . 1 . . . . . 65 ASP HN . 50430 1
34 . 1 . 1 23 23 ASP N N 15 122.008 0.00 . 1 . . . . . 65 ASP N . 50430 1
35 . 1 . 1 24 24 VAL H H 1 8.161 0.00 . 1 . . . . . 66 VAL HN . 50430 1
36 . 1 . 1 24 24 VAL N N 15 119.969 0.00 . 1 . . . . . 66 VAL N . 50430 1
37 . 1 . 1 25 25 ALA H H 1 7.783 0.00 . 1 . . . . . 67 ALA HN . 50430 1
38 . 1 . 1 25 25 ALA N N 15 120.917 0.00 . 1 . . . . . 67 ALA N . 50430 1
39 . 1 . 1 26 26 GLN H H 1 8.284 0.00 . 1 . . . . . 68 GLN HN . 50430 1
40 . 1 . 1 26 26 GLN N N 15 117.713 0.00 . 1 . . . . . 68 GLN N . 50430 1
41 . 1 . 1 27 27 TRP H H 1 8.898 0.00 . 1 . . . . . 69 TRP HN . 50430 1
42 . 1 . 1 27 27 TRP N N 15 125.979 0.00 . 1 . . . . . 69 TRP N . 50430 1
43 . 1 . 1 28 28 LEU H H 1 8.364 0.00 . 1 . . . . . 70 LEU HN . 50430 1
44 . 1 . 1 28 28 LEU N N 15 118.514 0.00 . 1 . . . . . 70 LEU N . 50430 1
45 . 1 . 1 29 29 LYS H H 1 7.461 0.00 . 1 . . . . . 71 LYS HN . 50430 1
46 . 1 . 1 29 29 LYS N N 15 117.506 0.00 . 1 . . . . . 71 LYS N . 50430 1
47 . 1 . 1 30 30 TRP H H 1 8.372 0.00 . 1 . . . . . 72 TRP HN . 50430 1
48 . 1 . 1 30 30 TRP N N 15 122.034 0.00 . 1 . . . . . 72 TRP N . 50430 1
49 . 1 . 1 31 31 ALA H H 1 8.875 0.00 . 1 . . . . . 73 ALA HN . 50430 1
50 . 1 . 1 31 31 ALA N N 15 122.157 0.00 . 1 . . . . . 73 ALA N . 50430 1
51 . 1 . 1 32 32 GLU H H 1 7.951 0.00 . 1 . . . . . 74 GLU HN . 50430 1
52 . 1 . 1 32 32 GLU N N 15 116.437 0.00 . 1 . . . . . 74 GLU N . 50430 1
53 . 1 . 1 33 33 ASN H H 1 7.290 0.00 . 1 . . . . . 75 ASN HN . 50430 1
54 . 1 . 1 33 33 ASN N N 15 114.593 0.00 . 1 . . . . . 75 ASN N . 50430 1
55 . 1 . 1 34 34 GLU H H 1 8.635 0.00 . 1 . . . . . 76 GLU HN . 50430 1
56 . 1 . 1 34 34 GLU N N 15 120.964 0.00 . 1 . . . . . 76 GLU N . 50430 1
57 . 1 . 1 35 35 PHE H H 1 7.532 0.00 . 1 . . . . . 77 PHE HN . 50430 1
58 . 1 . 1 35 35 PHE N N 15 112.402 0.00 . 1 . . . . . 77 PHE N . 50430 1
59 . 1 . 1 36 36 SER H H 1 7.200 0.00 . 1 . . . . . 78 SER HN . 50430 1
60 . 1 . 1 36 36 SER N N 15 113.364 0.00 . 1 . . . . . 78 SER N . 50430 1
61 . 1 . 1 37 37 LEU H H 1 7.673 0.00 . 1 . . . . . 79 LEU HN . 50430 1
62 . 1 . 1 37 37 LEU N N 15 117.184 0.00 . 1 . . . . . 79 LEU N . 50430 1
63 . 1 . 1 38 38 ARG H H 1 8.247 0.00 . 1 . . . . . 80 ARG HN . 50430 1
64 . 1 . 1 38 38 ARG N N 15 122.175 0.00 . 1 . . . . . 80 ARG N . 50430 1
65 . 1 . 1 40 40 ILE H H 1 8.397 0.00 . 1 . . . . . 82 ILE HN . 50430 1
66 . 1 . 1 40 40 ILE N N 15 123.091 0.00 . 1 . . . . . 82 ILE N . 50430 1
67 . 1 . 1 41 41 ASP H H 1 8.621 0.00 . 1 . . . . . 83 ASP HN . 50430 1
68 . 1 . 1 41 41 ASP N N 15 125.537 0.00 . 1 . . . . . 83 ASP N . 50430 1
69 . 1 . 1 43 43 ASN H H 1 8.779 0.00 . 1 . . . . . 85 ASN HN . 50430 1
70 . 1 . 1 43 43 ASN N N 15 119.231 0.00 . 1 . . . . . 85 ASN N . 50430 1
71 . 1 . 1 44 44 THR H H 1 7.775 0.00 . 1 . . . . . 86 THR HN . 50430 1
72 . 1 . 1 44 44 THR N N 15 111.746 0.00 . 1 . . . . . 86 THR N . 50430 1
73 . 1 . 1 49 49 GLY H H 1 8.501 0.00 . 1 . . . . . 91 GLY HN . 50430 1
74 . 1 . 1 49 49 GLY N N 15 105.414 0.00 . 1 . . . . . 91 GLY N . 50430 1
75 . 1 . 1 50 50 LYS H H 1 7.773 0.00 . 1 . . . . . 92 LYS HN . 50430 1
76 . 1 . 1 50 50 LYS N N 15 119.364 0.00 . 1 . . . . . 92 LYS N . 50430 1
77 . 1 . 1 51 51 ALA H H 1 7.451 0.00 . 1 . . . . . 93 ALA HN . 50430 1
78 . 1 . 1 51 51 ALA N N 15 118.697 0.00 . 1 . . . . . 93 ALA N . 50430 1
79 . 1 . 1 54 54 LEU H H 1 7.391 0.00 . 1 . . . . . 96 LEU HN . 50430 1
80 . 1 . 1 54 54 LEU N N 15 117.518 0.00 . 1 . . . . . 96 LEU N . 50430 1
81 . 1 . 1 56 56 THR H H 1 9.512 0.00 . 1 . . . . . 98 THR HN . 50430 1
82 . 1 . 1 56 56 THR N N 15 114.225 0.00 . 1 . . . . . 98 THR N . 50430 1
83 . 1 . 1 57 57 LYS H H 1 8.628 0.00 . 1 . . . . . 99 LYS HN . 50430 1
84 . 1 . 1 57 57 LYS N N 15 122.731 0.00 . 1 . . . . . 99 LYS N . 50430 1
85 . 1 . 1 58 58 GLU H H 1 8.211 0.00 . 1 . . . . . 100 GLU HN . 50430 1
86 . 1 . 1 58 58 GLU N N 15 117.136 0.00 . 1 . . . . . 100 GLU N . 50430 1
87 . 1 . 1 59 59 ASP H H 1 7.804 0.00 . 1 . . . . . 101 ASP HN . 50430 1
88 . 1 . 1 59 59 ASP N N 15 121.171 0.00 . 1 . . . . . 101 ASP N . 50430 1
89 . 1 . 1 60 60 PHE H H 1 8.293 0.00 . 1 . . . . . 102 PHE HN . 50430 1
90 . 1 . 1 60 60 PHE N N 15 120.775 0.00 . 1 . . . . . 102 PHE N . 50430 1
91 . 1 . 1 61 61 ARG H H 1 8.187 0.00 . 1 . . . . . 103 ARG HN . 50430 1
92 . 1 . 1 61 61 ARG N N 15 118.803 0.00 . 1 . . . . . 103 ARG N . 50430 1
93 . 1 . 1 62 62 TYR H H 1 8.094 0.00 . 1 . . . . . 104 TYR HN . 50430 1
94 . 1 . 1 62 62 TYR N N 15 118.490 0.00 . 1 . . . . . 104 TYR N . 50430 1
95 . 1 . 1 63 63 ARG H H 1 7.343 0.00 . 1 . . . . . 105 ARG HN . 50430 1
96 . 1 . 1 63 63 ARG N N 15 116.840 0.00 . 1 . . . . . 105 ARG N . 50430 1
97 . 1 . 1 64 64 SER H H 1 8.224 0.00 . 1 . . . . . 106 SER HN . 50430 1
98 . 1 . 1 64 64 SER N N 15 110.250 0.00 . 1 . . . . . 106 SER N . 50430 1
99 . 1 . 1 67 67 SER H H 1 7.450 0.00 . 1 . . . . . 109 SER HN . 50430 1
100 . 1 . 1 67 67 SER N N 15 112.345 0.00 . 1 . . . . . 109 SER N . 50430 1
101 . 1 . 1 68 68 GLY H H 1 9.251 0.00 . 1 . . . . . 110 GLY HN . 50430 1
102 . 1 . 1 68 68 GLY N N 15 111.892 0.00 . 1 . . . . . 110 GLY N . 50430 1
103 . 1 . 1 69 69 ASP H H 1 8.679 0.00 . 1 . . . . . 111 ASP HN . 50430 1
104 . 1 . 1 69 69 ASP N N 15 120.897 0.00 . 1 . . . . . 111 ASP N . 50430 1
105 . 1 . 1 74 74 LEU H H 1 8.481 0.00 . 1 . . . . . 116 LEU HN . 50430 1
106 . 1 . 1 74 74 LEU N N 15 122.624 0.00 . 1 . . . . . 116 LEU N . 50430 1
107 . 1 . 1 75 75 LEU H H 1 8.406 0.00 . 1 . . . . . 117 LEU HN . 50430 1
108 . 1 . 1 75 75 LEU N N 15 120.799 0.00 . 1 . . . . . 117 LEU N . 50430 1
109 . 1 . 1 76 76 GLN H H 1 7.911 0.00 . 1 . . . . . 118 GLN HN . 50430 1
110 . 1 . 1 76 76 GLN N N 15 115.044 0.00 . 1 . . . . . 118 GLN N . 50430 1
111 . 1 . 1 77 77 HIS H H 1 8.090 0.00 . 1 . . . . . 119 HIS HN . 50430 1
112 . 1 . 1 77 77 HIS N N 15 119.326 0.00 . 1 . . . . . 119 HIS N . 50430 1
113 . 1 . 1 78 78 ILE H H 1 8.233 0.00 . 1 . . . . . 120 ILE HN . 50430 1
114 . 1 . 1 78 78 ILE N N 15 120.575 0.00 . 1 . . . . . 120 ILE N . 50430 1
115 . 1 . 1 79 79 LEU H H 1 8.223 0.00 . 1 . . . . . 121 LEU HN . 50430 1
116 . 1 . 1 79 79 LEU N N 15 119.758 0.00 . 1 . . . . . 121 LEU N . 50430 1
117 . 1 . 1 80 80 LYS H H 1 7.541 0.00 . 1 . . . . . 122 LYS HN . 50430 1
118 . 1 . 1 80 80 LYS N N 15 117.038 0.00 . 1 . . . . . 122 LYS N . 50430 1
119 . 1 . 1 81 81 GLN H H 1 7.730 0.00 . 1 . . . . . 123 GLN HN . 50430 1
120 . 1 . 1 81 81 GLN N N 15 117.947 0.00 . 1 . . . . . 123 GLN N . 50430 1
121 . 1 . 1 82 82 ARG H H 1 7.936 0.00 . 1 . . . . . 124 ARG HN . 50430 1
122 . 1 . 1 82 82 ARG N N 15 120.735 0.00 . 1 . . . . . 124 ARG N . 50430 1
123 . 1 . 1 83 83 LYS H H 1 7.873 0.00 . 1 . . . . . 125 LYS HN . 50430 1
124 . 1 . 1 83 83 LYS N N 15 128.029 0.00 . 1 . . . . . 125 LYS N . 50430 1
stop_
save_