###################################
# 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11411
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11411 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11411 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 $AMBER . . 11411 1
2 $xwinnmr . . 11411 1
3 $NMRPipe . . 11411 1
4 $NMRView . . 11411 1
5 $Kujira . . 11411 1
6 $CYANA . . 11411 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 8 8 ASN H H 1 8.242 0.030 . 1 . . . . 8 ASN H . 11411 1
2 . 1 1 8 8 ASN N N 15 118.795 0.300 . 1 . . . . 8 ASN N . 11411 1
3 . 1 1 9 9 ARG H H 1 8.263 0.030 . 1 . . . . 9 ARG H . 11411 1
4 . 1 1 9 9 ARG N N 15 121.460 0.300 . 1 . . . . 9 ARG N . 11411 1
5 . 1 1 10 10 ALA H H 1 8.206 0.030 . 1 . . . . 10 ALA H . 11411 1
6 . 1 1 10 10 ALA N N 15 124.538 0.300 . 1 . . . . 10 ALA N . 11411 1
7 . 1 1 11 11 ASN H H 1 8.305 0.030 . 1 . . . . 11 ASN H . 11411 1
8 . 1 1 11 11 ASN N N 15 118.676 0.300 . 1 . . . . 11 ASN N . 11411 1
9 . 1 1 13 13 ASP H H 1 8.431 0.030 . 1 . . . . 13 ASP H . 11411 1
10 . 1 1 13 13 ASP N N 15 122.842 0.300 . 1 . . . . 13 ASP N . 11411 1
11 . 1 1 16 16 CYS H H 1 8.095 0.030 . 1 . . . . 16 CYS H . 11411 1
12 . 1 1 16 16 CYS N N 15 115.143 0.300 . 1 . . . . 16 CYS N . 11411 1
13 . 1 1 18 18 LEU H H 1 9.257 0.030 . 1 . . . . 18 LEU H . 11411 1
14 . 1 1 18 18 LEU N N 15 128.347 0.300 . 1 . . . . 18 LEU N . 11411 1
15 . 1 1 19 19 GLY H H 1 9.091 0.030 . 1 . . . . 19 GLY H . 11411 1
16 . 1 1 19 19 GLY N N 15 109.694 0.300 . 1 . . . . 19 GLY N . 11411 1
17 . 1 1 20 20 VAL H H 1 8.011 0.030 . 1 . . . . 20 VAL H . 11411 1
18 . 1 1 20 20 VAL N N 15 124.027 0.300 . 1 . . . . 20 VAL N . 11411 1
19 . 1 1 21 21 PHE H H 1 9.338 0.030 . 1 . . . . 21 PHE H . 11411 1
20 . 1 1 21 21 PHE N N 15 122.778 0.300 . 1 . . . . 21 PHE N . 11411 1
21 . 1 1 22 22 GLY H H 1 8.647 0.030 . 1 . . . . 22 GLY H . 11411 1
22 . 1 1 22 22 GLY N N 15 109.069 0.300 . 1 . . . . 22 GLY N . 11411 1
23 . 1 1 23 23 LEU H H 1 7.780 0.030 . 1 . . . . 23 LEU H . 11411 1
24 . 1 1 23 23 LEU N N 15 116.194 0.300 . 1 . . . . 23 LEU N . 11411 1
25 . 1 1 24 24 SER H H 1 9.295 0.030 . 1 . . . . 24 SER H . 11411 1
26 . 1 1 24 24 SER N N 15 115.185 0.300 . 1 . . . . 24 SER N . 11411 1
27 . 1 1 25 25 LEU H H 1 8.887 0.030 . 1 . . . . 25 LEU H . 11411 1
28 . 1 1 25 25 LEU N N 15 125.543 0.300 . 1 . . . . 25 LEU N . 11411 1
29 . 1 1 26 26 TYR H H 1 7.742 0.030 . 1 . . . . 26 TYR H . 11411 1
30 . 1 1 26 26 TYR N N 15 114.714 0.300 . 1 . . . . 26 TYR N . 11411 1
31 . 1 1 27 27 THR H H 1 7.093 0.030 . 1 . . . . 27 THR H . 11411 1
32 . 1 1 27 27 THR N N 15 119.432 0.300 . 1 . . . . 27 THR N . 11411 1
33 . 1 1 28 28 THR H H 1 9.174 0.030 . 1 . . . . 28 THR H . 11411 1
34 . 1 1 28 28 THR N N 15 119.911 0.300 . 1 . . . . 28 THR N . 11411 1
35 . 1 1 29 29 GLU H H 1 9.456 0.030 . 1 . . . . 29 GLU H . 11411 1
36 . 1 1 29 29 GLU N N 15 121.114 0.300 . 1 . . . . 29 GLU N . 11411 1
37 . 1 1 30 30 ARG H H 1 8.169 0.030 . 1 . . . . 30 ARG H . 11411 1
38 . 1 1 30 30 ARG N N 15 119.446 0.300 . 1 . . . . 30 ARG N . 11411 1
39 . 1 1 31 31 ASP H H 1 7.496 0.030 . 1 . . . . 31 ASP H . 11411 1
40 . 1 1 31 31 ASP N N 15 119.485 0.300 . 1 . . . . 31 ASP N . 11411 1
41 . 1 1 32 32 LEU H H 1 7.685 0.030 . 1 . . . . 32 LEU H . 11411 1
42 . 1 1 32 32 LEU N N 15 117.312 0.300 . 1 . . . . 32 LEU N . 11411 1
43 . 1 1 33 33 ARG H H 1 8.723 0.030 . 1 . . . . 33 ARG H . 11411 1
44 . 1 1 33 33 ARG N N 15 120.052 0.300 . 1 . . . . 33 ARG N . 11411 1
45 . 1 1 34 34 GLU H H 1 8.146 0.030 . 1 . . . . 34 GLU H . 11411 1
46 . 1 1 34 34 GLU N N 15 119.688 0.300 . 1 . . . . 34 GLU N . 11411 1
47 . 1 1 35 35 VAL H H 1 7.517 0.030 . 1 . . . . 35 VAL H . 11411 1
48 . 1 1 35 35 VAL N N 15 116.491 0.300 . 1 . . . . 35 VAL N . 11411 1
49 . 1 1 36 36 PHE H H 1 8.457 0.030 . 1 . . . . 36 PHE H . 11411 1
50 . 1 1 36 36 PHE N N 15 114.572 0.300 . 1 . . . . 36 PHE N . 11411 1
51 . 1 1 37 37 SER H H 1 8.389 0.030 . 1 . . . . 37 SER H . 11411 1
52 . 1 1 37 37 SER N N 15 115.055 0.300 . 1 . . . . 37 SER N . 11411 1
53 . 1 1 38 38 LYS H H 1 6.903 0.030 . 1 . . . . 38 LYS H . 11411 1
54 . 1 1 38 38 LYS N N 15 119.303 0.300 . 1 . . . . 38 LYS N . 11411 1
55 . 1 1 39 39 TYR H H 1 7.591 0.030 . 1 . . . . 39 TYR H . 11411 1
56 . 1 1 39 39 TYR N N 15 116.349 0.300 . 1 . . . . 39 TYR N . 11411 1
57 . 1 1 40 40 GLY H H 1 7.308 0.030 . 1 . . . . 40 GLY H . 11411 1
58 . 1 1 40 40 GLY N N 15 106.426 0.300 . 1 . . . . 40 GLY N . 11411 1
59 . 1 1 42 42 ILE H H 1 8.480 0.030 . 1 . . . . 42 ILE H . 11411 1
60 . 1 1 42 42 ILE N N 15 124.123 0.300 . 1 . . . . 42 ILE N . 11411 1
61 . 1 1 43 43 ALA H H 1 9.077 0.030 . 1 . . . . 43 ALA H . 11411 1
62 . 1 1 43 43 ALA N N 15 130.927 0.300 . 1 . . . . 43 ALA N . 11411 1
63 . 1 1 44 44 ASP H H 1 7.600 0.030 . 1 . . . . 44 ASP H . 11411 1
64 . 1 1 44 44 ASP N N 15 114.322 0.300 . 1 . . . . 44 ASP N . 11411 1
65 . 1 1 45 45 VAL H H 1 8.220 0.030 . 1 . . . . 45 VAL H . 11411 1
66 . 1 1 45 45 VAL N N 15 120.995 0.300 . 1 . . . . 45 VAL N . 11411 1
67 . 1 1 46 46 SER H H 1 9.031 0.030 . 1 . . . . 46 SER H . 11411 1
68 . 1 1 46 46 SER N N 15 121.051 0.300 . 1 . . . . 46 SER N . 11411 1
69 . 1 1 47 47 ILE H H 1 8.896 0.030 . 1 . . . . 47 ILE H . 11411 1
70 . 1 1 47 47 ILE N N 15 128.122 0.300 . 1 . . . . 47 ILE N . 11411 1
71 . 1 1 48 48 VAL H H 1 7.446 0.030 . 1 . . . . 48 VAL H . 11411 1
72 . 1 1 48 48 VAL N N 15 127.157 0.300 . 1 . . . . 48 VAL N . 11411 1
73 . 1 1 49 49 TYR H H 1 8.414 0.030 . 1 . . . . 49 TYR H . 11411 1
74 . 1 1 49 49 TYR N N 15 125.497 0.300 . 1 . . . . 49 TYR N . 11411 1
75 . 1 1 50 50 ASP H H 1 8.871 0.030 . 1 . . . . 50 ASP H . 11411 1
76 . 1 1 50 50 ASP N N 15 122.967 0.300 . 1 . . . . 50 ASP N . 11411 1
77 . 1 1 51 51 GLN H H 1 9.041 0.030 . 1 . . . . 51 GLN H . 11411 1
78 . 1 1 51 51 GLN N N 15 126.097 0.300 . 1 . . . . 51 GLN N . 11411 1
79 . 1 1 52 52 GLN H H 1 8.466 0.030 . 1 . . . . 52 GLN H . 11411 1
80 . 1 1 52 52 GLN N N 15 116.973 0.300 . 1 . . . . 52 GLN N . 11411 1
81 . 1 1 53 53 SER H H 1 8.351 0.030 . 1 . . . . 53 SER H . 11411 1
82 . 1 1 53 53 SER N N 15 113.538 0.300 . 1 . . . . 53 SER N . 11411 1
83 . 1 1 54 54 ARG H H 1 8.012 0.030 . 1 . . . . 54 ARG H . 11411 1
84 . 1 1 54 54 ARG N N 15 116.757 0.300 . 1 . . . . 54 ARG N . 11411 1
85 . 1 1 55 55 ARG H H 1 7.739 0.030 . 1 . . . . 55 ARG H . 11411 1
86 . 1 1 55 55 ARG N N 15 117.936 0.300 . 1 . . . . 55 ARG N . 11411 1
87 . 1 1 56 56 SER H H 1 8.853 0.030 . 1 . . . . 56 SER H . 11411 1
88 . 1 1 56 56 SER N N 15 117.280 0.300 . 1 . . . . 56 SER N . 11411 1
89 . 1 1 57 57 ARG H H 1 8.937 0.030 . 1 . . . . 57 ARG H . 11411 1
90 . 1 1 57 57 ARG N N 15 122.599 0.300 . 1 . . . . 57 ARG N . 11411 1
91 . 1 1 58 58 GLY H H 1 9.132 0.030 . 1 . . . . 58 GLY H . 11411 1
92 . 1 1 58 58 GLY N N 15 107.647 0.300 . 1 . . . . 58 GLY N . 11411 1
93 . 1 1 59 59 PHE H H 1 6.933 0.030 . 1 . . . . 59 PHE H . 11411 1
94 . 1 1 59 59 PHE N N 15 112.418 0.300 . 1 . . . . 59 PHE N . 11411 1
95 . 1 1 60 60 ALA H H 1 8.368 0.030 . 1 . . . . 60 ALA H . 11411 1
96 . 1 1 60 60 ALA N N 15 119.703 0.300 . 1 . . . . 60 ALA N . 11411 1
97 . 1 1 61 61 PHE H H 1 8.288 0.030 . 1 . . . . 61 PHE H . 11411 1
98 . 1 1 61 61 PHE N N 15 115.025 0.300 . 1 . . . . 61 PHE N . 11411 1
99 . 1 1 62 62 VAL H H 1 9.052 0.030 . 1 . . . . 62 VAL H . 11411 1
100 . 1 1 62 62 VAL N N 15 123.203 0.300 . 1 . . . . 62 VAL N . 11411 1
101 . 1 1 63 63 TYR H H 1 8.829 0.030 . 1 . . . . 63 TYR H . 11411 1
102 . 1 1 63 63 TYR N N 15 124.879 0.300 . 1 . . . . 63 TYR N . 11411 1
103 . 1 1 64 64 PHE H H 1 8.946 0.030 . 1 . . . . 64 PHE H . 11411 1
104 . 1 1 64 64 PHE N N 15 124.280 0.300 . 1 . . . . 64 PHE N . 11411 1
105 . 1 1 65 65 GLU H H 1 7.992 0.030 . 1 . . . . 65 GLU H . 11411 1
106 . 1 1 65 65 GLU N N 15 117.751 0.300 . 1 . . . . 65 GLU N . 11411 1
107 . 1 1 66 66 ASN H H 1 9.027 0.030 . 1 . . . . 66 ASN H . 11411 1
108 . 1 1 66 66 ASN N N 15 116.157 0.300 . 1 . . . . 66 ASN N . 11411 1
109 . 1 1 67 67 VAL H H 1 8.850 0.030 . 1 . . . . 67 VAL H . 11411 1
110 . 1 1 67 67 VAL N N 15 125.858 0.300 . 1 . . . . 67 VAL N . 11411 1
111 . 1 1 68 68 ASP H H 1 8.405 0.030 . 1 . . . . 68 ASP H . 11411 1
112 . 1 1 68 68 ASP N N 15 121.145 0.300 . 1 . . . . 68 ASP N . 11411 1
113 . 1 1 69 69 ASP H H 1 7.325 0.030 . 1 . . . . 69 ASP H . 11411 1
114 . 1 1 69 69 ASP N N 15 122.180 0.300 . 1 . . . . 69 ASP N . 11411 1
115 . 1 1 70 70 ALA H H 1 6.931 0.030 . 1 . . . . 70 ALA H . 11411 1
116 . 1 1 70 70 ALA N N 15 121.128 0.300 . 1 . . . . 70 ALA N . 11411 1
117 . 1 1 71 71 LYS H H 1 8.049 0.030 . 1 . . . . 71 LYS H . 11411 1
118 . 1 1 71 71 LYS N N 15 116.528 0.300 . 1 . . . . 71 LYS N . 11411 1
119 . 1 1 72 72 GLU H H 1 7.338 0.030 . 1 . . . . 72 GLU H . 11411 1
120 . 1 1 72 72 GLU N N 15 119.885 0.300 . 1 . . . . 72 GLU N . 11411 1
121 . 1 1 73 73 ALA H H 1 7.944 0.030 . 1 . . . . 73 ALA H . 11411 1
122 . 1 1 73 73 ALA N N 15 120.477 0.300 . 1 . . . . 73 ALA N . 11411 1
123 . 1 1 74 74 LYS H H 1 8.068 0.030 . 1 . . . . 74 LYS H . 11411 1
124 . 1 1 74 74 LYS N N 15 117.483 0.300 . 1 . . . . 74 LYS N . 11411 1
125 . 1 1 75 75 GLU H H 1 7.416 0.030 . 1 . . . . 75 GLU H . 11411 1
126 . 1 1 75 75 GLU N N 15 115.251 0.300 . 1 . . . . 75 GLU N . 11411 1
127 . 1 1 76 76 ARG H H 1 8.137 0.030 . 1 . . . . 76 ARG H . 11411 1
128 . 1 1 76 76 ARG N N 15 115.594 0.300 . 1 . . . . 76 ARG N . 11411 1
129 . 1 1 77 77 ALA H H 1 8.738 0.030 . 1 . . . . 77 ALA H . 11411 1
130 . 1 1 77 77 ALA N N 15 119.479 0.300 . 1 . . . . 77 ALA N . 11411 1
131 . 1 1 78 78 ASN H H 1 6.836 0.030 . 1 . . . . 78 ASN H . 11411 1
132 . 1 1 78 78 ASN N N 15 113.549 0.300 . 1 . . . . 78 ASN N . 11411 1
133 . 1 1 79 79 GLY H H 1 8.569 0.030 . 1 . . . . 79 GLY H . 11411 1
134 . 1 1 79 79 GLY N N 15 116.829 0.300 . 1 . . . . 79 GLY N . 11411 1
135 . 1 1 80 80 MET H H 1 7.843 0.030 . 1 . . . . 80 MET H . 11411 1
136 . 1 1 80 80 MET N N 15 120.127 0.300 . 1 . . . . 80 MET N . 11411 1
137 . 1 1 81 81 GLU H H 1 8.354 0.030 . 1 . . . . 81 GLU H . 11411 1
138 . 1 1 81 81 GLU N N 15 121.447 0.300 . 1 . . . . 81 GLU N . 11411 1
139 . 1 1 82 82 LEU H H 1 9.162 0.030 . 1 . . . . 82 LEU H . 11411 1
140 . 1 1 82 82 LEU N N 15 128.063 0.300 . 1 . . . . 82 LEU N . 11411 1
141 . 1 1 83 83 ASP H H 1 9.659 0.030 . 1 . . . . 83 ASP H . 11411 1
142 . 1 1 83 83 ASP N N 15 129.731 0.300 . 1 . . . . 83 ASP N . 11411 1
143 . 1 1 84 84 GLY H H 1 8.638 0.030 . 1 . . . . 84 GLY H . 11411 1
144 . 1 1 84 84 GLY N N 15 102.107 0.300 . 1 . . . . 84 GLY N . 11411 1
145 . 1 1 85 85 ARG H H 1 7.496 0.030 . 1 . . . . 85 ARG H . 11411 1
146 . 1 1 85 85 ARG N N 15 119.485 0.300 . 1 . . . . 85 ARG N . 11411 1
147 . 1 1 86 86 ARG H H 1 8.484 0.030 . 1 . . . . 86 ARG H . 11411 1
148 . 1 1 86 86 ARG N N 15 121.340 0.300 . 1 . . . . 86 ARG N . 11411 1
149 . 1 1 87 87 ILE H H 1 8.414 0.030 . 1 . . . . 87 ILE H . 11411 1
150 . 1 1 87 87 ILE N N 15 121.938 0.300 . 1 . . . . 87 ILE N . 11411 1
151 . 1 1 88 88 ARG H H 1 8.561 0.030 . 1 . . . . 88 ARG H . 11411 1
152 . 1 1 88 88 ARG N N 15 123.840 0.300 . 1 . . . . 88 ARG N . 11411 1
153 . 1 1 89 89 VAL H H 1 8.609 0.030 . 1 . . . . 89 VAL H . 11411 1
154 . 1 1 89 89 VAL N N 15 124.403 0.300 . 1 . . . . 89 VAL N . 11411 1
155 . 1 1 90 90 ASP H H 1 8.961 0.030 . 1 . . . . 90 ASP H . 11411 1
156 . 1 1 90 90 ASP N N 15 124.673 0.300 . 1 . . . . 90 ASP N . 11411 1
157 . 1 1 91 91 PHE H H 1 8.933 0.030 . 1 . . . . 91 PHE H . 11411 1
158 . 1 1 91 91 PHE N N 15 120.846 0.300 . 1 . . . . 91 PHE N . 11411 1
159 . 1 1 92 92 SER H H 1 8.739 0.030 . 1 . . . . 92 SER H . 11411 1
160 . 1 1 92 92 SER N N 15 117.293 0.300 . 1 . . . . 92 SER N . 11411 1
161 . 1 1 95 95 LYS H H 1 8.385 0.030 . 1 . . . . 95 LYS H . 11411 1
162 . 1 1 95 95 LYS N N 15 124.291 0.300 . 1 . . . . 95 LYS N . 11411 1
163 . 1 1 96 96 ARG H H 1 8.225 0.030 . 1 . . . . 96 ARG H . 11411 1
164 . 1 1 96 96 ARG N N 15 123.112 0.300 . 1 . . . . 96 ARG N . 11411 1
stop_
save_