###################################
# 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 19118
_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' 1 $sample_1 isotropic 19118 1
2 '3D HNCA' 1 $sample_1 isotropic 19118 1
3 '3D HN(CO)CA' 1 $sample_1 isotropic 19118 1
4 '3D HNCACB' 1 $sample_1 isotropic 19118 1
5 '3D HN(CO)CACB' 1 $sample_1 isotropic 19118 1
6 '3D HNCO' 1 $sample_1 isotropic 19118 1
7 '3D HCACO' 1 $sample_1 isotropic 19118 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 ILE H H 1 8.134 0.000 . 1 . . . . 1 ILE H . 19118 1
2 . 1 1 2 2 ILE N N 15 123.363 0.000 . 1 . . . . 1 ILE N . 19118 1
3 . 1 1 3 3 GLN H H 1 8.231 0.000 . 1 . . . . 2 GLN H . 19118 1
4 . 1 1 3 3 GLN N N 15 122.315 0.000 . 1 . . . . 2 GLN N . 19118 1
5 . 1 1 4 4 ARG H H 1 9.691 0.000 . 1 . . . . 3 ARG H . 19118 1
6 . 1 1 4 4 ARG N N 15 123.356 0.000 . 1 . . . . 3 ARG N . 19118 1
7 . 1 1 5 5 THR H H 1 8.520 0.000 . 1 . . . . 4 THR H . 19118 1
8 . 1 1 5 5 THR N N 15 120.939 0.000 . 1 . . . . 4 THR N . 19118 1
9 . 1 1 7 7 LYS H H 1 9.353 0.000 . 1 . . . . 6 LYS H . 19118 1
10 . 1 1 7 7 LYS N N 15 124.047 0.000 . 1 . . . . 6 LYS N . 19118 1
11 . 1 1 8 8 ILE H H 1 8.406 0.000 . 1 . . . . 7 ILE H . 19118 1
12 . 1 1 8 8 ILE N N 15 122.353 0.000 . 1 . . . . 7 ILE N . 19118 1
13 . 1 1 10 10 VAL H H 1 9.428 0.000 . 1 . . . . 9 VAL H . 19118 1
14 . 1 1 10 10 VAL N N 15 124.084 0.000 . 1 . . . . 9 VAL N . 19118 1
15 . 1 1 11 11 TYR H H 1 8.741 0.000 . 1 . . . . 10 TYR H . 19118 1
16 . 1 1 11 11 TYR N N 15 123.103 0.000 . 1 . . . . 10 TYR N . 19118 1
17 . 1 1 12 12 SER H H 1 9.114 0.000 . 1 . . . . 11 SER H . 19118 1
18 . 1 1 12 12 SER N N 15 113.752 0.000 . 1 . . . . 11 SER N . 19118 1
19 . 1 1 13 13 ARG H H 1 8.935 0.000 . 1 . . . . 12 ARG H . 19118 1
20 . 1 1 13 13 ARG N N 15 122.754 0.000 . 1 . . . . 12 ARG N . 19118 1
21 . 1 1 14 14 HIS H H 1 8.356 0.000 . 1 . . . . 13 HIS H . 19118 1
22 . 1 1 14 14 HIS N N 15 114.131 0.000 . 1 . . . . 13 HIS N . 19118 1
23 . 1 1 16 16 ALA H H 1 9.018 0.000 . 1 . . . . 15 ALA H . 19118 1
24 . 1 1 16 16 ALA N N 15 127.513 0.000 . 1 . . . . 15 ALA N . 19118 1
25 . 1 1 18 18 ASN H H 1 8.907 0.000 . 1 . . . . 17 ASN H . 19118 1
26 . 1 1 18 18 ASN N N 15 123.557 0.000 . 1 . . . . 17 ASN N . 19118 1
27 . 1 1 19 19 GLY H H 1 8.977 0.000 . 1 . . . . 18 GLY H . 19118 1
28 . 1 1 19 19 GLY N N 15 109.115 0.000 . 1 . . . . 18 GLY N . 19118 1
29 . 1 1 20 20 LYS H H 1 7.989 0.000 . 1 . . . . 19 LYS H . 19118 1
30 . 1 1 20 20 LYS N N 15 121.623 0.000 . 1 . . . . 19 LYS N . 19118 1
31 . 1 1 21 21 SER H H 1 8.459 0.000 . 1 . . . . 20 SER H . 19118 1
32 . 1 1 21 21 SER N N 15 120.324 0.000 . 1 . . . . 20 SER N . 19118 1
33 . 1 1 23 23 PHE H H 1 10.555 0.000 . 1 . . . . 22 PHE H . 19118 1
34 . 1 1 23 23 PHE N N 15 120.819 0.000 . 1 . . . . 22 PHE N . 19118 1
35 . 1 1 25 25 ASN H H 1 8.514 0.000 . 1 . . . . 24 ASN H . 19118 1
36 . 1 1 25 25 ASN N N 15 122.502 0.000 . 1 . . . . 24 ASN N . 19118 1
37 . 1 1 26 26 CYS H H 1 9.736 0.000 . 1 . . . . 25 CYS H . 19118 1
38 . 1 1 26 26 CYS N N 15 120.632 0.000 . 1 . . . . 25 CYS N . 19118 1
39 . 1 1 27 27 TYR H H 1 9.809 0.000 . 1 . . . . 26 TYR H . 19118 1
40 . 1 1 27 27 TYR N N 15 129.533 0.000 . 1 . . . . 26 TYR N . 19118 1
41 . 1 1 28 28 VAL H H 1 9.013 0.000 . 1 . . . . 27 VAL H . 19118 1
42 . 1 1 28 28 VAL N N 15 126.494 0.000 . 1 . . . . 27 VAL N . 19118 1
43 . 1 1 29 29 SER H H 1 8.987 0.000 . 1 . . . . 28 SER H . 19118 1
44 . 1 1 29 29 SER N N 15 117.493 0.000 . 1 . . . . 28 SER N . 19118 1
45 . 1 1 30 30 GLY H H 1 8.473 0.000 . 1 . . . . 29 GLY H . 19118 1
46 . 1 1 30 30 GLY N N 15 108.194 0.000 . 1 . . . . 29 GLY N . 19118 1
47 . 1 1 35 35 ASP H H 1 7.393 0.000 . 1 . . . . 34 ASP H . 19118 1
48 . 1 1 35 35 ASP N N 15 121.423 0.000 . 1 . . . . 34 ASP N . 19118 1
49 . 1 1 37 37 GLU H H 1 8.222 0.000 . 1 . . . . 36 GLU H . 19118 1
50 . 1 1 37 37 GLU N N 15 126.207 0.000 . 1 . . . . 36 GLU N . 19118 1
51 . 1 1 38 38 VAL H H 1 7.891 0.000 . 1 . . . . 37 VAL H . 19118 1
52 . 1 1 38 38 VAL N N 15 125.159 0.000 . 1 . . . . 37 VAL N . 19118 1
53 . 1 1 40 40 LEU H H 1 9.116 0.000 . 1 . . . . 39 LEU H . 19118 1
54 . 1 1 40 40 LEU N N 15 121.601 0.000 . 1 . . . . 39 LEU N . 19118 1
55 . 1 1 41 41 LEU H H 1 9.050 0.000 . 1 . . . . 40 LEU H . 19118 1
56 . 1 1 41 41 LEU N N 15 120.520 0.000 . 1 . . . . 40 LEU N . 19118 1
57 . 1 1 43 43 ASN H H 1 9.869 0.000 . 1 . . . . 42 ASN H . 19118 1
58 . 1 1 43 43 ASN N N 15 128.395 0.000 . 1 . . . . 42 ASN N . 19118 1
59 . 1 1 44 44 GLY H H 1 8.929 0.000 . 1 . . . . 43 GLY H . 19118 1
60 . 1 1 44 44 GLY N N 15 102.560 0.000 . 1 . . . . 43 GLY N . 19118 1
61 . 1 1 45 45 GLU H H 1 7.922 0.000 . 1 . . . . 44 GLU H . 19118 1
62 . 1 1 45 45 GLU N N 15 120.976 0.000 . 1 . . . . 44 GLU N . 19118 1
63 . 1 1 46 46 ARG H H 1 8.783 0.000 . 1 . . . . 45 ARG H . 19118 1
64 . 1 1 46 46 ARG N N 15 124.656 0.000 . 1 . . . . 45 ARG N . 19118 1
65 . 1 1 47 47 ILE H H 1 8.946 0.000 . 1 . . . . 46 ILE H . 19118 1
66 . 1 1 47 47 ILE N N 15 128.911 0.000 . 1 . . . . 46 ILE N . 19118 1
67 . 1 1 48 48 GLU H H 1 8.597 0.000 . 1 . . . . 47 GLU H . 19118 1
68 . 1 1 48 48 GLU N N 15 126.474 0.000 . 1 . . . . 47 GLU N . 19118 1
69 . 1 1 49 49 LYS H H 1 8.088 0.000 . 1 . . . . 48 LYS H . 19118 1
70 . 1 1 49 49 LYS N N 15 119.643 0.000 . 1 . . . . 48 LYS N . 19118 1
71 . 1 1 50 50 VAL H H 1 7.951 0.000 . 1 . . . . 49 VAL H . 19118 1
72 . 1 1 50 50 VAL N N 15 123.919 0.000 . 1 . . . . 49 VAL N . 19118 1
73 . 1 1 51 51 GLU H H 1 8.478 0.000 . 1 . . . . 50 GLU H . 19118 1
74 . 1 1 51 51 GLU N N 15 126.743 0.000 . 1 . . . . 50 GLU N . 19118 1
75 . 1 1 52 52 HIS H H 1 8.130 0.000 . 1 . . . . 51 HIS H . 19118 1
76 . 1 1 52 52 HIS N N 15 111.764 0.000 . 1 . . . . 51 HIS N . 19118 1
77 . 1 1 53 53 SER H H 1 9.138 0.000 . 1 . . . . 52 SER H . 19118 1
78 . 1 1 53 53 SER N N 15 116.678 0.000 . 1 . . . . 52 SER N . 19118 1
79 . 1 1 54 54 ASP H H 1 8.591 0.000 . 1 . . . . 53 ASP H . 19118 1
80 . 1 1 54 54 ASP N N 15 118.580 0.000 . 1 . . . . 53 ASP N . 19118 1
81 . 1 1 55 55 LEU H H 1 8.686 0.000 . 1 . . . . 54 LEU H . 19118 1
82 . 1 1 55 55 LEU N N 15 126.085 0.000 . 1 . . . . 54 LEU N . 19118 1
83 . 1 1 56 56 SER H H 1 6.928 0.000 . 1 . . . . 55 SER H . 19118 1
84 . 1 1 56 56 SER N N 15 117.960 0.000 . 1 . . . . 55 SER N . 19118 1
85 . 1 1 57 57 PHE H H 1 6.910 0.000 . 1 . . . . 56 PHE H . 19118 1
86 . 1 1 57 57 PHE N N 15 112.286 0.000 . 1 . . . . 56 PHE N . 19118 1
87 . 1 1 58 58 SER H H 1 8.964 0.000 . 1 . . . . 57 SER H . 19118 1
88 . 1 1 58 58 SER N N 15 115.078 0.000 . 1 . . . . 57 SER N . 19118 1
89 . 1 1 60 60 ASP H H 1 7.555 0.000 . 1 . . . . 59 ASP H . 19118 1
90 . 1 1 60 60 ASP N N 15 116.978 0.000 . 1 . . . . 59 ASP N . 19118 1
91 . 1 1 61 61 TRP H H 1 7.847 0.000 . 1 . . . . 60 TRP H . 19118 1
92 . 1 1 61 61 TRP HE1 H 1 10.657 0.000 . 1 . . . . 60 TRP HE1 . 19118 1
93 . 1 1 61 61 TRP N N 15 110.897 0.000 . 1 . . . . 60 TRP N . 19118 1
94 . 1 1 61 61 TRP NE1 N 15 130.139 0.000 . 1 . . . . 60 TRP NE1 . 19118 1
95 . 1 1 62 62 SER H H 1 8.308 0.000 . 1 . . . . 61 SER H . 19118 1
96 . 1 1 62 62 SER N N 15 116.965 0.000 . 1 . . . . 61 SER N . 19118 1
97 . 1 1 63 63 PHE H H 1 8.417 0.000 . 1 . . . . 62 PHE H . 19118 1
98 . 1 1 63 63 PHE N N 15 121.239 0.000 . 1 . . . . 62 PHE N . 19118 1
99 . 1 1 64 64 TYR H H 1 7.650 0.000 . 1 . . . . 63 TYR H . 19118 1
100 . 1 1 64 64 TYR N N 15 109.923 0.000 . 1 . . . . 63 TYR N . 19118 1
101 . 1 1 65 65 LEU H H 1 9.474 0.000 . 1 . . . . 64 LEU H . 19118 1
102 . 1 1 65 65 LEU N N 15 120.808 0.000 . 1 . . . . 64 LEU N . 19118 1
103 . 1 1 66 66 LEU H H 1 8.686 0.000 . 1 . . . . 65 LEU H . 19118 1
104 . 1 1 66 66 LEU N N 15 121.995 0.000 . 1 . . . . 65 LEU N . 19118 1
105 . 1 1 67 67 TYR H H 1 9.310 0.000 . 1 . . . . 66 TYR H . 19118 1
106 . 1 1 67 67 TYR N N 15 127.813 0.000 . 1 . . . . 66 TYR N . 19118 1
107 . 1 1 68 68 TYR H H 1 9.030 0.000 . 1 . . . . 67 TYR H . 19118 1
108 . 1 1 68 68 TYR N N 15 116.333 0.000 . 1 . . . . 67 TYR N . 19118 1
109 . 1 1 69 69 THR H H 1 8.471 0.000 . 1 . . . . 68 THR H . 19118 1
110 . 1 1 69 69 THR N N 15 112.494 0.000 . 1 . . . . 68 THR N . 19118 1
111 . 1 1 70 70 GLU H H 1 8.535 0.000 . 1 . . . . 69 GLU H . 19118 1
112 . 1 1 70 70 GLU N N 15 129.193 0.000 . 1 . . . . 69 GLU N . 19118 1
113 . 1 1 71 71 PHE H H 1 8.726 0.000 . 1 . . . . 70 PHE H . 19118 1
114 . 1 1 71 71 PHE N N 15 125.090 0.000 . 1 . . . . 70 PHE N . 19118 1
115 . 1 1 72 72 THR H H 1 8.257 0.000 . 1 . . . . 71 THR H . 19118 1
116 . 1 1 72 72 THR N N 15 117.395 0.000 . 1 . . . . 71 THR N . 19118 1
117 . 1 1 74 74 THR H H 1 8.124 0.000 . 1 . . . . 73 THR H . 19118 1
118 . 1 1 74 74 THR N N 15 110.284 0.000 . 1 . . . . 73 THR N . 19118 1
119 . 1 1 76 76 LYS H H 1 7.890 0.000 . 1 . . . . 75 LYS H . 19118 1
120 . 1 1 76 76 LYS N N 15 113.829 0.000 . 1 . . . . 75 LYS N . 19118 1
121 . 1 1 77 77 ASP H H 1 7.244 0.000 . 1 . . . . 76 ASP H . 19118 1
122 . 1 1 77 77 ASP N N 15 118.135 0.000 . 1 . . . . 76 ASP N . 19118 1
123 . 1 1 79 79 TYR H H 1 9.533 0.000 . 1 . . . . 78 TYR H . 19118 1
124 . 1 1 79 79 TYR N N 15 124.010 0.000 . 1 . . . . 78 TYR N . 19118 1
125 . 1 1 80 80 ALA H H 1 8.925 0.000 . 1 . . . . 79 ALA H . 19118 1
126 . 1 1 80 80 ALA N N 15 121.357 0.000 . 1 . . . . 79 ALA N . 19118 1
127 . 1 1 81 81 CYS H H 1 9.190 0.000 . 1 . . . . 80 CYS H . 19118 1
128 . 1 1 81 81 CYS N N 15 119.975 0.000 . 1 . . . . 80 CYS N . 19118 1
129 . 1 1 82 82 ARG H H 1 9.487 0.000 . 1 . . . . 81 ARG H . 19118 1
130 . 1 1 82 82 ARG N N 15 128.728 0.000 . 1 . . . . 81 ARG N . 19118 1
131 . 1 1 83 83 VAL H H 1 9.185 0.000 . 1 . . . . 82 VAL H . 19118 1
132 . 1 1 83 83 VAL N N 15 128.140 0.000 . 1 . . . . 82 VAL N . 19118 1
133 . 1 1 84 84 ASN H H 1 9.166 0.000 . 1 . . . . 83 ASN H . 19118 1
134 . 1 1 84 84 ASN N N 15 123.616 0.000 . 1 . . . . 83 ASN N . 19118 1
135 . 1 1 85 85 HIS H H 1 7.818 0.000 . 1 . . . . 84 HIS H . 19118 1
136 . 1 1 85 85 HIS N N 15 122.845 0.000 . 1 . . . . 84 HIS N . 19118 1
137 . 1 1 86 86 VAL H H 1 8.118 0.000 . 1 . . . . 85 VAL H . 19118 1
138 . 1 1 86 86 VAL N N 15 125.328 0.000 . 1 . . . . 85 VAL N . 19118 1
139 . 1 1 87 87 THR H H 1 7.542 0.000 . 1 . . . . 86 THR H . 19118 1
140 . 1 1 87 87 THR N N 15 110.504 0.000 . 1 . . . . 86 THR N . 19118 1
141 . 1 1 90 90 GLN H H 1 7.619 0.000 . 1 . . . . 89 GLN H . 19118 1
142 . 1 1 90 90 GLN N N 15 117.437 0.000 . 1 . . . . 89 GLN N . 19118 1
143 . 1 1 92 92 LYS H H 1 8.889 0.000 . 1 . . . . 91 LYS H . 19118 1
144 . 1 1 92 92 LYS N N 15 125.289 0.000 . 1 . . . . 91 LYS N . 19118 1
145 . 1 1 93 93 ILE H H 1 8.612 0.000 . 1 . . . . 92 ILE H . 19118 1
146 . 1 1 93 93 ILE N N 15 125.321 0.000 . 1 . . . . 92 ILE N . 19118 1
147 . 1 1 94 94 VAL H H 1 9.130 0.000 . 1 . . . . 93 VAL H . 19118 1
148 . 1 1 94 94 VAL N N 15 129.789 0.000 . 1 . . . . 93 VAL N . 19118 1
149 . 1 1 95 95 LYS H H 1 8.943 0.000 . 1 . . . . 94 LYS H . 19118 1
150 . 1 1 95 95 LYS N N 15 128.102 0.000 . 1 . . . . 94 LYS N . 19118 1
151 . 1 1 96 96 TRP H H 1 9.117 0.000 . 1 . . . . 95 TRP H . 19118 1
152 . 1 1 96 96 TRP HE1 H 1 10.724 0.000 . 1 . . . . 95 TRP HE1 . 19118 1
153 . 1 1 96 96 TRP N N 15 123.009 0.000 . 1 . . . . 95 TRP N . 19118 1
154 . 1 1 96 96 TRP NE1 N 15 129.694 0.000 . 1 . . . . 95 TRP NE1 . 19118 1
155 . 1 1 97 97 ASP H H 1 8.535 0.000 . 1 . . . . 96 ASP H . 19118 1
156 . 1 1 97 97 ASP N N 15 132.381 0.000 . 1 . . . . 96 ASP N . 19118 1
157 . 1 1 99 99 ASP H H 1 8.628 0.000 . 1 . . . . 98 ASP H . 19118 1
158 . 1 1 99 99 ASP N N 15 120.354 0.000 . 1 . . . . 98 ASP N . 19118 1
159 . 1 1 100 100 MET H H 1 7.908 0.000 . 1 . . . . 99 MET H . 19118 1
160 . 1 1 100 100 MET N N 15 122.102 0.000 . 1 . . . . 99 MET N . 19118 1
stop_
save_