Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 53982
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'PAD1 citrullinated Histone H2A(1-28) F25Y'
_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' . . . 53982 1
2 '3D HNCACB' . . . 53982 1
3 '3D CBCA(CO)NH' . . . 53982 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 . . 53982 1
2 $software_2 . . 53982 1
3 $software_3 . . 53982 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 2 2 GLY CA C 13 45.125 0.029 . 1 . . . . . 2 GLY CA . 53982 1
2 . 1 . 1 3 3 CIR H H 1 8.447 0.001 . 1 . . . . . 3 CIR H . 53982 1
3 . 1 . 1 3 3 CIR CA C 13 56.559 0.166 . 1 . . . . . 3 CIR CA . 53982 1
4 . 1 . 1 3 3 CIR CB C 13 30.883 0.052 . 1 . . . . . 3 CIR CB . 53982 1
5 . 1 . 1 3 3 CIR N N 15 121.212 0.006 . 1 . . . . . 3 CIR N . 53982 1
6 . 1 . 1 4 4 GLY H H 1 8.538 0.000 . 1 . . . . . 4 GLY H . 53982 1
7 . 1 . 1 4 4 GLY CA C 13 45.228 0.032 . 1 . . . . . 4 GLY CA . 53982 1
8 . 1 . 1 4 4 GLY N N 15 110.190 0.030 . 1 . . . . . 4 GLY N . 53982 1
9 . 1 . 1 5 5 LYS H H 1 8.265 0.001 . 1 . . . . . 5 LYS H . 53982 1
10 . 1 . 1 5 5 LYS CA C 13 56.463 0.093 . 1 . . . . . 5 LYS CA . 53982 1
11 . 1 . 1 5 5 LYS CB C 13 32.838 0.010 . 1 . . . . . 5 LYS CB . 53982 1
12 . 1 . 1 5 5 LYS N N 15 121.218 0.018 . 1 . . . . . 5 LYS N . 53982 1
13 . 1 . 1 6 6 GLN H H 1 8.601 0.001 . 1 . . . . . 6 GLN H . 53982 1
14 . 1 . 1 6 6 GLN CA C 13 56.075 0.098 . 1 . . . . . 6 GLN CA . 53982 1
15 . 1 . 1 6 6 GLN CB C 13 28.996 0.042 . 1 . . . . . 6 GLN CB . 53982 1
16 . 1 . 1 6 6 GLN N N 15 121.787 0.012 . 1 . . . . . 6 GLN N . 53982 1
17 . 1 . 1 7 7 GLY H H 1 8.526 0.001 . 1 . . . . . 7 GLY H . 53982 1
18 . 1 . 1 7 7 GLY CA C 13 45.272 0.161 . 1 . . . . . 7 GLY CA . 53982 1
19 . 1 . 1 7 7 GLY N N 15 110.517 0.012 . 1 . . . . . 7 GLY N . 53982 1
20 . 1 . 1 8 8 GLY H H 1 8.342 0.000 . 1 . . . . . 8 GLY H . 53982 1
21 . 1 . 1 8 8 GLY CA C 13 45.150 0.034 . 1 . . . . . 8 GLY CA . 53982 1
22 . 1 . 1 8 8 GLY N N 15 108.890 0.020 . 1 . . . . . 8 GLY N . 53982 1
23 . 1 . 1 9 9 LYS H H 1 8.343 0.000 . 1 . . . . . 9 LYS H . 53982 1
24 . 1 . 1 9 9 LYS CA C 13 56.269 0.113 . 1 . . . . . 9 LYS CA . 53982 1
25 . 1 . 1 9 9 LYS CB C 13 32.816 0.045 . 1 . . . . . 9 LYS CB . 53982 1
26 . 1 . 1 9 9 LYS N N 15 121.198 0.003 . 1 . . . . . 9 LYS N . 53982 1
27 . 1 . 1 10 10 ALA H H 1 8.355 0.000 . 1 . . . . . 10 ALA H . 53982 1
28 . 1 . 1 10 10 ALA CA C 13 52.764 0.146 . 1 . . . . . 10 ALA CA . 53982 1
29 . 1 . 1 10 10 ALA CB C 13 19.213 0.039 . 1 . . . . . 10 ALA CB . 53982 1
30 . 1 . 1 10 10 ALA N N 15 125.766 0.005 . 1 . . . . . 10 ALA N . 53982 1
31 . 1 . 1 11 11 CIR H H 1 8.318 0.000 . 1 . . . . . 11 CIR H . 53982 1
32 . 1 . 1 11 11 CIR CA C 13 56.206 0.070 . 1 . . . . . 11 CIR CA . 53982 1
33 . 1 . 1 11 11 CIR CB C 13 30.905 0.074 . 1 . . . . . 11 CIR CB . 53982 1
34 . 1 . 1 11 11 CIR N N 15 121.541 0.007 . 1 . . . . . 11 CIR N . 53982 1
35 . 1 . 1 12 12 ALA H H 1 8.346 0.000 . 1 . . . . . 12 ALA H . 53982 1
36 . 1 . 1 12 12 ALA CA C 13 52.763 0.152 . 1 . . . . . 12 ALA CA . 53982 1
37 . 1 . 1 12 12 ALA CB C 13 19.219 0.067 . 1 . . . . . 12 ALA CB . 53982 1
38 . 1 . 1 12 12 ALA N N 15 125.698 0.025 . 1 . . . . . 12 ALA N . 53982 1
39 . 1 . 1 13 13 LYS H H 1 8.434 0.000 . 1 . . . . . 13 LYS H . 53982 1
40 . 1 . 1 13 13 LYS CA C 13 56.570 0.143 . 1 . . . . . 13 LYS CA . 53982 1
41 . 1 . 1 13 13 LYS CB C 13 32.914 0.080 . 1 . . . . . 13 LYS CB . 53982 1
42 . 1 . 1 13 13 LYS N N 15 121.343 0.004 . 1 . . . . . 13 LYS N . 53982 1
43 . 1 . 1 14 14 ALA H H 1 8.391 0.000 . 1 . . . . . 14 ALA H . 53982 1
44 . 1 . 1 14 14 ALA CA C 13 52.766 0.143 . 1 . . . . . 14 ALA CA . 53982 1
45 . 1 . 1 14 14 ALA CB C 13 19.265 0.010 . 1 . . . . . 14 ALA CB . 53982 1
46 . 1 . 1 14 14 ALA N N 15 125.574 0.015 . 1 . . . . . 14 ALA N . 53982 1
47 . 1 . 1 15 15 LYS H H 1 8.310 0.000 . 1 . . . . . 15 LYS H . 53982 1
48 . 1 . 1 15 15 LYS CA C 13 56.435 0.215 . 1 . . . . . 15 LYS CA . 53982 1
49 . 1 . 1 15 15 LYS CB C 13 32.854 0.019 . 1 . . . . . 15 LYS CB . 53982 1
50 . 1 . 1 15 15 LYS N N 15 121.309 0.005 . 1 . . . . . 15 LYS N . 53982 1
51 . 1 . 1 16 16 THR H H 1 8.206 0.001 . 1 . . . . . 16 THR H . 53982 1
52 . 1 . 1 16 16 THR CA C 13 61.951 0.065 . 1 . . . . . 16 THR CA . 53982 1
53 . 1 . 1 16 16 THR CB C 13 69.879 0.074 . 1 . . . . . 16 THR CB . 53982 1
54 . 1 . 1 16 16 THR N N 15 116.001 0.015 . 1 . . . . . 16 THR N . 53982 1
55 . 1 . 1 17 17 CIR H H 1 8.472 0.001 . 1 . . . . . 17 CIR H . 53982 1
56 . 1 . 1 17 17 CIR CA C 13 56.635 0.106 . 1 . . . . . 17 CIR CA . 53982 1
57 . 1 . 1 17 17 CIR CB C 13 30.916 0.002 . 1 . . . . . 17 CIR CB . 53982 1
58 . 1 . 1 17 17 CIR N N 15 124.251 0.028 . 1 . . . . . 17 CIR N . 53982 1
59 . 1 . 1 18 18 SER H H 1 8.448 0.002 . 1 . . . . . 18 SER H . 53982 1
60 . 1 . 1 18 18 SER CA C 13 58.643 0.086 . 1 . . . . . 18 SER CA . 53982 1
61 . 1 . 1 18 18 SER CB C 13 63.781 0.130 . 1 . . . . . 18 SER CB . 53982 1
62 . 1 . 1 18 18 SER N N 15 117.256 0.025 . 1 . . . . . 18 SER N . 53982 1
63 . 1 . 1 19 19 SER H H 1 8.399 0.000 . 1 . . . . . 19 SER H . 53982 1
64 . 1 . 1 19 19 SER CA C 13 58.610 0.117 . 1 . . . . . 19 SER CA . 53982 1
65 . 1 . 1 19 19 SER CB C 13 63.853 0.055 . 1 . . . . . 19 SER CB . 53982 1
66 . 1 . 1 19 19 SER N N 15 118.170 0.043 . 1 . . . . . 19 SER N . 53982 1
67 . 1 . 1 20 20 CIR H H 1 8.321 0.001 . 1 . . . . . 20 CIR H . 53982 1
68 . 1 . 1 20 20 CIR CA C 13 56.677 0.111 . 1 . . . . . 20 CIR CA . 53982 1
69 . 1 . 1 20 20 CIR CB C 13 30.864 0.054 . 1 . . . . . 20 CIR CB . 53982 1
70 . 1 . 1 20 20 CIR N N 15 123.187 0.025 . 1 . . . . . 20 CIR N . 53982 1
71 . 1 . 1 21 21 ALA H H 1 8.253 0.001 . 1 . . . . . 21 ALA H . 53982 1
72 . 1 . 1 21 21 ALA CA C 13 52.927 0.017 . 1 . . . . . 21 ALA CA . 53982 1
73 . 1 . 1 21 21 ALA CB C 13 19.238 0.016 . 1 . . . . . 21 ALA CB . 53982 1
74 . 1 . 1 21 21 ALA N N 15 124.745 0.017 . 1 . . . . . 21 ALA N . 53982 1
75 . 1 . 1 22 22 GLY H H 1 8.325 0.001 . 1 . . . . . 22 GLY H . 53982 1
76 . 1 . 1 22 22 GLY CA C 13 45.222 0.088 . 1 . . . . . 22 GLY CA . 53982 1
77 . 1 . 1 22 22 GLY N N 15 107.995 0.039 . 1 . . . . . 22 GLY N . 53982 1
78 . 1 . 1 23 23 LEU H H 1 7.989 0.001 . 1 . . . . . 23 LEU H . 53982 1
79 . 1 . 1 23 23 LEU CA C 13 54.976 0.122 . 1 . . . . . 23 LEU CA . 53982 1
80 . 1 . 1 23 23 LEU CB C 13 42.360 0.091 . 1 . . . . . 23 LEU CB . 53982 1
81 . 1 . 1 23 23 LEU N N 15 121.455 0.008 . 1 . . . . . 23 LEU N . 53982 1
82 . 1 . 1 24 24 GLN H H 1 8.350 0.002 . 1 . . . . . 24 GLN H . 53982 1
83 . 1 . 1 24 24 GLN CA C 13 55.476 0.016 . 1 . . . . . 24 GLN CA . 53982 1
84 . 1 . 1 24 24 GLN CB C 13 29.598 0.063 . 1 . . . . . 24 GLN CB . 53982 1
85 . 1 . 1 24 24 GLN N N 15 120.848 0.004 . 1 . . . . . 24 GLN N . 53982 1
86 . 1 . 1 25 25 TYR H H 1 8.163 0.000 . 1 . . . . . 25 TYR H . 53982 1
87 . 1 . 1 25 25 TYR CA C 13 55.995 0.002 . 1 . . . . . 25 TYR CA . 53982 1
88 . 1 . 1 25 25 TYR CB C 13 38.031 0.000 . 1 . . . . . 25 TYR CB . 53982 1
89 . 1 . 1 25 25 TYR N N 15 121.768 0.024 . 1 . . . . . 25 TYR N . 53982 1
90 . 1 . 1 26 26 PRO CA C 13 63.100 0.085 . 1 . . . . . 26 PRO CA . 53982 1
91 . 1 . 1 26 26 PRO CB C 13 32.038 0.002 . 1 . . . . . 26 PRO CB . 53982 1
92 . 1 . 1 27 27 VAL H H 1 8.324 0.000 . 1 . . . . . 27 VAL H . 53982 1
93 . 1 . 1 27 27 VAL CA C 13 62.163 0.126 . 1 . . . . . 27 VAL CA . 53982 1
94 . 1 . 1 27 27 VAL CB C 13 32.799 0.056 . 1 . . . . . 27 VAL CB . 53982 1
95 . 1 . 1 27 27 VAL N N 15 120.611 0.011 . 1 . . . . . 27 VAL N . 53982 1
96 . 1 . 1 28 28 GLY H H 1 8.102 0.002 . 1 . . . . . 28 GLY H . 53982 1
97 . 1 . 1 28 28 GLY CA C 13 45.956 0.084 . 1 . . . . . 28 GLY CA . 53982 1
98 . 1 . 1 28 28 GLY N N 15 118.862 0.007 . 1 . . . . . 28 GLY N . 53982 1
stop_
save_