###################################
# 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 51124
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name p53_TAD_1_94_backbone_1H_15N_assignment
_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
2 '3D CBCACONH' . . . 51124 1
3 '3D HNCACB' . . . 51124 1
4 '3D HN(CA)NNH' . . . 51124 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 . . 51124 1
2 $software_2 . . 51124 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 1 1 MET N N 15 119.018 0.043 . . . . . . . 1 M N . 51124 1
2 . 1 . 1 2 2 GLU H H 1 8.282 0.002 . . . . . . . 2 E HN . 51124 1
3 . 1 . 1 2 2 GLU N N 15 121.702 0.034 . . . . . . . 2 E N . 51124 1
4 . 1 . 1 3 3 GLU H H 1 8.277 0.006 . . . . . . . 3 E HN . 51124 1
5 . 1 . 1 3 3 GLU N N 15 123.302 0.037 . . . . . . . 3 E N . 51124 1
6 . 1 . 1 5 5 GLN H H 1 8.470 0.004 . . . . . . . 5 Q HN . 51124 1
7 . 1 . 1 5 5 GLN N N 15 120.912 0.047 . . . . . . . 5 Q N . 51124 1
8 . 1 . 1 6 6 SER H H 1 8.292 0.005 . . . . . . . 6 S HN . 51124 1
9 . 1 . 1 6 6 SER N N 15 117.620 0.053 . . . . . . . 6 S N . 51124 1
10 . 1 . 1 7 7 ASP H H 1 8.353 0.003 . . . . . . . 7 D HN . 51124 1
11 . 1 . 1 7 7 ASP N N 15 123.537 0.014 . . . . . . . 7 D N . 51124 1
12 . 1 . 1 9 9 SER H H 1 8.434 0.002 . . . . . . . 9 S HN . 51124 1
13 . 1 . 1 9 9 SER N N 15 115.931 0.046 . . . . . . . 9 S N . 51124 1
14 . 1 . 1 10 10 VAL H H 1 7.787 0.010 . . . . . . . 10 V HN . 51124 1
15 . 1 . 1 10 10 VAL N N 15 120.974 0.144 . . . . . . . 10 V N . 51124 1
16 . 1 . 1 11 11 GLU H H 1 8.247 0.006 . . . . . . . 11 E HN . 51124 1
17 . 1 . 1 11 11 GLU N N 15 126.051 0.074 . . . . . . . 11 E N . 51124 1
18 . 1 . 1 14 14 LEU H H 1 8.256 0.006 . . . . . . . 14 L HN . 51124 1
19 . 1 . 1 14 14 LEU N N 15 122.340 0.053 . . . . . . . 14 L N . 51124 1
20 . 1 . 1 15 15 SER H H 1 8.246 0.007 . . . . . . . 15 S HN . 51124 1
21 . 1 . 1 15 15 SER N N 15 116.626 0.091 . . . . . . . 15 S N . 51124 1
22 . 1 . 1 16 16 GLN H H 1 8.409 0.003 . . . . . . . 16 Q HN . 51124 1
23 . 1 . 1 16 16 GLN N N 15 122.428 0.032 . . . . . . . 16 Q N . 51124 1
24 . 1 . 1 17 17 GLU H H 1 8.386 0.004 . . . . . . . 17 E HN . 51124 1
25 . 1 . 1 17 17 GLU N N 15 121.851 0.081 . . . . . . . 17 E N . 51124 1
26 . 1 . 1 18 18 THR H H 1 8.019 0.003 . . . . . . . 18 T HN . 51124 1
27 . 1 . 1 18 18 THR N N 15 114.849 0.059 . . . . . . . 18 T N . 51124 1
28 . 1 . 1 19 19 PHE H H 1 8.155 0.002 . . . . . . . 19 F HN . 51124 1
29 . 1 . 1 19 19 PHE N N 15 122.208 0.091 . . . . . . . 19 F N . 51124 1
30 . 1 . 1 20 20 SER H H 1 8.010 0.002 . . . . . . . 20 S HN . 51124 1
31 . 1 . 1 20 20 SER N N 15 116.663 0.080 . . . . . . . 20 S N . 51124 1
32 . 1 . 1 21 21 ASP H H 1 8.193 0.001 . . . . . . . 21 D HN . 51124 1
33 . 1 . 1 21 21 ASP N N 15 122.068 0.042 . . . . . . . 21 D N . 51124 1
34 . 1 . 1 22 22 LEU H H 1 7.854 0.002 . . . . . . . 22 L HN . 51124 1
35 . 1 . 1 22 22 LEU N N 15 121.076 0.057 . . . . . . . 22 L N . 51124 1
36 . 1 . 1 23 23 TRP H H 1 7.766 0.002 . . . . . . . 23 W HN . 51124 1
37 . 1 . 1 23 23 TRP N N 15 119.278 0.078 . . . . . . . 23 W N . 51124 1
38 . 1 . 1 24 24 LYS H H 1 7.491 0.008 . . . . . . . 24 K HN . 51124 1
39 . 1 . 1 24 24 LYS N N 15 120.420 0.117 . . . . . . . 24 K N . 51124 1
40 . 1 . 1 25 25 LEU H H 1 7.741 0.002 . . . . . . . 25 L HN . 51124 1
41 . 1 . 1 25 25 LEU N N 15 120.755 0.022 . . . . . . . 25 L N . 51124 1
42 . 1 . 1 26 26 LEU H H 1 7.833 0.009 . . . . . . . 26 L HN . 51124 1
43 . 1 . 1 26 26 LEU N N 15 123.617 0.131 . . . . . . . 26 L N . 51124 1
44 . 1 . 1 28 28 GLU H H 1 8.619 0.002 . . . . . . . 28 E HN . 51124 1
45 . 1 . 1 28 28 GLU N N 15 119.763 0.054 . . . . . . . 28 E N . 51124 1
46 . 1 . 1 29 29 ASN H H 1 8.204 0.004 . . . . . . . 29 N HN . 51124 1
47 . 1 . 1 29 29 ASN N N 15 118.798 0.099 . . . . . . . 29 N N . 51124 1
48 . 1 . 1 30 30 ASN H H 1 8.199 0.013 . . . . . . . 30 N HN . 51124 1
49 . 1 . 1 30 30 ASN N N 15 119.426 0.214 . . . . . . . 30 N N . 51124 1
50 . 1 . 1 31 31 VAL H H 1 7.939 0.015 . . . . . . . 31 V HN . 51124 1
51 . 1 . 1 31 31 VAL N N 15 120.132 0.091 . . . . . . . 31 V N . 51124 1
52 . 1 . 1 32 32 LEU H H 1 8.208 0.000 . . . . . . . 32 L HN . 51124 1
53 . 1 . 1 32 32 LEU N N 15 125.385 0.000 . . . . . . . 32 L N . 51124 1
54 . 1 . 1 33 33 SER H H 1 8.136 0.013 . . . . . . . 33 S HN . 51124 1
55 . 1 . 1 33 33 SER N N 15 118.025 0.118 . . . . . . . 33 S N . 51124 1
56 . 1 . 1 35 35 LEU H H 1 8.219 0.015 . . . . . . . 35 L HN . 51124 1
57 . 1 . 1 35 35 LEU N N 15 123.624 0.122 . . . . . . . 35 L N . 51124 1
58 . 1 . 1 37 37 SER H H 1 8.254 0.010 . . . . . . . 37 S HN . 51124 1
59 . 1 . 1 37 37 SER N N 15 115.601 0.121 . . . . . . . 37 S N . 51124 1
60 . 1 . 1 38 38 GLN H H 1 8.296 0.003 . . . . . . . 38 Q HN . 51124 1
61 . 1 . 1 38 38 GLN N N 15 122.175 0.023 . . . . . . . 38 Q N . 51124 1
62 . 1 . 1 39 39 ALA H H 1 8.231 0.000 . . . . . . . 39 A HN . 51124 1
63 . 1 . 1 39 39 ALA N N 15 125.033 0.000 . . . . . . . 39 A N . 51124 1
64 . 1 . 1 40 40 MET H H 1 8.250 0.022 . . . . . . . 40 M HN . 51124 1
65 . 1 . 1 40 40 MET N N 15 119.491 0.157 . . . . . . . 40 M N . 51124 1
66 . 1 . 1 41 41 ASP H H 1 8.165 0.015 . . . . . . . 41 D HN . 51124 1
67 . 1 . 1 41 41 ASP N N 15 120.938 0.134 . . . . . . . 41 D N . 51124 1
68 . 1 . 1 42 42 ASP H H 1 8.149 0.018 . . . . . . . 42 D HN . 51124 1
69 . 1 . 1 42 42 ASP N N 15 120.103 0.261 . . . . . . . 42 D N . 51124 1
70 . 1 . 1 43 43 LEU H H 1 7.992 0.013 . . . . . . . 43 L HN . 51124 1
71 . 1 . 1 43 43 LEU N N 15 121.639 0.198 . . . . . . . 43 L N . 51124 1
72 . 1 . 1 44 44 MET H H 1 8.168 0.012 . . . . . . . 44 M HN . 51124 1
73 . 1 . 1 44 44 MET N N 15 120.321 0.150 . . . . . . . 44 M N . 51124 1
74 . 1 . 1 45 45 LEU H H 1 7.994 0.025 . . . . . . . 45 L HN . 51124 1
75 . 1 . 1 45 45 LEU N N 15 123.079 0.288 . . . . . . . 45 L N . 51124 1
76 . 1 . 1 46 46 SER H H 1 8.439 0.020 . . . . . . . 46 S HN . 51124 1
77 . 1 . 1 46 46 SER N N 15 118.378 0.079 . . . . . . . 46 S N . 51124 1
78 . 1 . 1 48 48 ASP H H 1 8.125 0.022 . . . . . . . 48 D HN . 51124 1
79 . 1 . 1 48 48 ASP N N 15 118.765 0.415 . . . . . . . 48 D N . 51124 1
80 . 1 . 1 49 49 ASP H H 1 8.009 0.032 . . . . . . . 49 D HN . 51124 1
81 . 1 . 1 49 49 ASP N N 15 120.137 0.154 . . . . . . . 49 D N . 51124 1
82 . 1 . 1 50 50 ILE H H 1 7.764 0.017 . . . . . . . 50 I HN . 51124 1
83 . 1 . 1 50 50 ILE N N 15 120.058 0.154 . . . . . . . 50 I N . 51124 1
84 . 1 . 1 51 51 GLU H H 1 8.255 0.029 . . . . . . . 51 E HN . 51124 1
85 . 1 . 1 51 51 GLU N N 15 123.789 0.172 . . . . . . . 51 E N . 51124 1
86 . 1 . 1 52 52 GLN H H 1 8.056 0.020 . . . . . . . 52 Q HN . 51124 1
87 . 1 . 1 52 52 GLN N N 15 120.302 0.351 . . . . . . . 52 Q N . 51124 1
88 . 1 . 1 53 53 TRP H H 1 7.896 0.012 . . . . . . . 53 W HN . 51124 1
89 . 1 . 1 53 53 TRP N N 15 121.491 0.243 . . . . . . . 53 W N . 51124 1
90 . 1 . 1 54 54 PHE H H 1 7.894 0.014 . . . . . . . 54 F HN . 51124 1
91 . 1 . 1 54 54 PHE N N 15 121.495 0.234 . . . . . . . 54 F N . 51124 1
92 . 1 . 1 55 55 THR H H 1 7.901 0.005 . . . . . . . 55 T HN . 51124 1
93 . 1 . 1 55 55 THR N N 15 116.202 0.421 . . . . . . . 55 T N . 51124 1
94 . 1 . 1 56 56 GLU H H 1 8.224 0.004 . . . . . . . 56 E HN . 51124 1
95 . 1 . 1 56 56 GLU N N 15 123.294 0.231 . . . . . . . 56 E N . 51124 1
96 . 1 . 1 57 57 ASP H H 1 8.353 0.011 . . . . . . . 57 D HN . 51124 1
97 . 1 . 1 57 57 ASP N N 15 123.367 0.180 . . . . . . . 57 D N . 51124 1
98 . 1 . 1 59 59 GLY H H 1 8.312 0.001 . . . . . . . 59 G HN . 51124 1
99 . 1 . 1 59 59 GLY N N 15 109.207 0.041 . . . . . . . 59 G N . 51124 1
100 . 1 . 1 61 61 ASP H H 1 8.358 0.009 . . . . . . . 61 D HN . 51124 1
101 . 1 . 1 61 61 ASP N N 15 119.876 0.046 . . . . . . . 61 D N . 51124 1
102 . 1 . 1 62 62 GLU H H 1 8.034 0.003 . . . . . . . 62 E HN . 51124 1
103 . 1 . 1 62 62 GLU N N 15 120.840 0.054 . . . . . . . 62 E N . 51124 1
104 . 1 . 1 63 63 ALA H H 1 8.181 0.002 . . . . . . . 63 A HN . 51124 1
105 . 1 . 1 63 63 ALA N N 15 126.548 0.054 . . . . . . . 63 A N . 51124 1
106 . 1 . 1 65 65 ARG H H 1 8.371 0.005 . . . . . . . 65 R HN . 51124 1
107 . 1 . 1 65 65 ARG N N 15 121.860 0.070 . . . . . . . 65 R N . 51124 1
108 . 1 . 1 66 66 MET H H 1 8.405 0.006 . . . . . . . 66 M HN . 51124 1
109 . 1 . 1 66 66 MET N N 15 123.328 0.033 . . . . . . . 66 M N . 51124 1
110 . 1 . 1 68 68 GLU H H 1 8.442 0.005 . . . . . . . 68 E HN . 51124 1
111 . 1 . 1 68 68 GLU N N 15 121.189 0.062 . . . . . . . 68 E N . 51124 1
112 . 1 . 1 69 69 ALA H H 1 8.214 0.006 . . . . . . . 69 A HN . 51124 1
113 . 1 . 1 69 69 ALA N N 15 125.544 0.050 . . . . . . . 69 A N . 51124 1
114 . 1 . 1 73 73 VAL H H 1 8.068 0.004 . . . . . . . 73 V HN . 51124 1
115 . 1 . 1 73 73 VAL N N 15 120.415 0.049 . . . . . . . 73 V N . 51124 1
116 . 1 . 1 74 74 ALA H H 1 8.301 0.002 . . . . . . . 74 A HN . 51124 1
117 . 1 . 1 74 74 ALA N N 15 129.554 0.031 . . . . . . . 74 A N . 51124 1
118 . 1 . 1 81 81 THR H H 1 8.222 0.003 . . . . . . . 81 T HN . 51124 1
119 . 1 . 1 81 81 THR N N 15 117.342 0.028 . . . . . . . 81 T N . 51124 1
120 . 1 . 1 90 90 SER H H 1 8.041 0.003 . . . . . . . 90 S HN . 51124 1
121 . 1 . 1 90 90 SER N N 15 115.602 0.040 . . . . . . . 90 S N . 51124 1
122 . 1 . 1 91 91 TRP H H 1 7.946 0.001 . . . . . . . 91 W HN . 51124 1
123 . 1 . 1 91 91 TRP N N 15 123.758 0.032 . . . . . . . 91 W N . 51124 1
124 . 1 . 1 93 93 LEU H H 1 8.062 0.003 . . . . . . . 93 L HN . 51124 1
125 . 1 . 1 93 93 LEU N N 15 122.850 0.041 . . . . . . . 93 L N . 51124 1
126 . 1 . 1 94 94 SER H H 1 7.670 0.002 . . . . . . . 94 S HN . 51124 1
127 . 1 . 1 94 94 SER N N 15 120.956 0.032 . . . . . . . 94 S N . 51124 1
stop_
save_