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 53984
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'PAD1 citrullinated Histone H2B(1-39)'
_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' . . . 53984 1
2 '3D HNCACB' . . . 53984 1
3 '3D CBCA(CO)NH' . . . 53984 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 . . 53984 1
2 $software_2 . . 53984 1
3 $software_3 . . 53984 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 PRO CA C 13 62.196 0.009 . 1 . . . . . 1 PRO CA . 53984 1
2 . 1 . 1 1 1 PRO CB C 13 32.355 0.053 . 1 . . . . . 1 PRO CB . 53984 1
3 . 1 . 1 2 2 GLU H H 1 8.850 0.002 . 1 . . . . . 2 GLU H . 53984 1
4 . 1 . 1 2 2 GLU CA C 13 54.585 0.047 . 1 . . . . . 2 GLU CA . 53984 1
5 . 1 . 1 2 2 GLU CB C 13 29.350 0.000 . 1 . . . . . 2 GLU CB . 53984 1
6 . 1 . 1 2 2 GLU N N 15 121.705 0.011 . 1 . . . . . 2 GLU N . 53984 1
7 . 1 . 1 3 3 PRO CA C 13 63.114 0.114 . 1 . . . . . 3 PRO CA . 53984 1
8 . 1 . 1 3 3 PRO CB C 13 32.018 0.172 . 1 . . . . . 3 PRO CB . 53984 1
9 . 1 . 1 4 4 ALA H H 1 8.523 0.002 . 1 . . . . . 4 ALA H . 53984 1
10 . 1 . 1 4 4 ALA CA C 13 52.452 0.060 . 1 . . . . . 4 ALA CA . 53984 1
11 . 1 . 1 4 4 ALA CB C 13 19.181 0.087 . 1 . . . . . 4 ALA CB . 53984 1
12 . 1 . 1 4 4 ALA N N 15 124.818 0.032 . 1 . . . . . 4 ALA N . 53984 1
13 . 1 . 1 5 5 LYS H H 1 8.460 0.001 . 1 . . . . . 5 LYS H . 53984 1
14 . 1 . 1 5 5 LYS CA C 13 56.175 0.033 . 1 . . . . . 5 LYS CA . 53984 1
15 . 1 . 1 5 5 LYS CB C 13 32.990 0.113 . 1 . . . . . 5 LYS CB . 53984 1
16 . 1 . 1 5 5 LYS N N 15 121.331 0.025 . 1 . . . . . 5 LYS N . 53984 1
17 . 1 . 1 6 6 SER H H 1 8.350 0.001 . 1 . . . . . 6 SER H . 53984 1
18 . 1 . 1 6 6 SER CA C 13 58.073 0.055 . 1 . . . . . 6 SER CA . 53984 1
19 . 1 . 1 6 6 SER CB C 13 63.935 0.022 . 1 . . . . . 6 SER CB . 53984 1
20 . 1 . 1 6 6 SER N N 15 117.408 0.008 . 1 . . . . . 6 SER N . 53984 1
21 . 1 . 1 7 7 ALA H H 1 8.424 0.002 . 1 . . . . . 7 ALA H . 53984 1
22 . 1 . 1 7 7 ALA CA C 13 50.503 0.030 . 1 . . . . . 7 ALA CA . 53984 1
23 . 1 . 1 7 7 ALA CB C 13 18.047 0.000 . 1 . . . . . 7 ALA CB . 53984 1
24 . 1 . 1 7 7 ALA N N 15 127.412 0.014 . 1 . . . . . 7 ALA N . 53984 1
25 . 1 . 1 8 8 PRO CA C 13 62.681 0.024 . 1 . . . . . 8 PRO CA . 53984 1
26 . 1 . 1 8 8 PRO CB C 13 32.029 0.012 . 1 . . . . . 8 PRO CB . 53984 1
27 . 1 . 1 9 9 ALA H H 1 8.504 0.001 . 1 . . . . . 9 ALA H . 53984 1
28 . 1 . 1 9 9 ALA CA C 13 50.378 0.038 . 1 . . . . . 9 ALA CA . 53984 1
29 . 1 . 1 9 9 ALA CB C 13 17.933 0.000 . 1 . . . . . 9 ALA CB . 53984 1
30 . 1 . 1 9 9 ALA N N 15 126.164 0.012 . 1 . . . . . 9 ALA N . 53984 1
31 . 1 . 1 10 10 PRO CA C 13 62.763 0.021 . 1 . . . . . 10 PRO CA . 53984 1
32 . 1 . 1 10 10 PRO CB C 13 32.100 0.022 . 1 . . . . . 10 PRO CB . 53984 1
33 . 1 . 1 11 11 LYS H H 1 8.531 0.001 . 1 . . . . . 11 LYS H . 53984 1
34 . 1 . 1 11 11 LYS CA C 13 56.268 0.080 . 1 . . . . . 11 LYS CA . 53984 1
35 . 1 . 1 11 11 LYS CB C 13 32.979 0.100 . 1 . . . . . 11 LYS CB . 53984 1
36 . 1 . 1 11 11 LYS N N 15 122.434 0.013 . 1 . . . . . 11 LYS N . 53984 1
37 . 1 . 1 12 12 LYS H H 1 8.538 0.000 . 1 . . . . . 12 LYS H . 53984 1
38 . 1 . 1 12 12 LYS CA C 13 56.655 0.068 . 1 . . . . . 12 LYS CA . 53984 1
39 . 1 . 1 12 12 LYS CB C 13 32.870 0.065 . 1 . . . . . 12 LYS CB . 53984 1
40 . 1 . 1 12 12 LYS N N 15 123.856 0.005 . 1 . . . . . 12 LYS N . 53984 1
41 . 1 . 1 13 13 GLY H H 1 8.589 0.001 . 1 . . . . . 13 GLY H . 53984 1
42 . 1 . 1 13 13 GLY CA C 13 45.131 0.027 . 1 . . . . . 13 GLY CA . 53984 1
43 . 1 . 1 13 13 GLY N N 15 111.163 0.006 . 1 . . . . . 13 GLY N . 53984 1
44 . 1 . 1 14 14 SER H H 1 8.254 0.001 . 1 . . . . . 14 SER H . 53984 1
45 . 1 . 1 14 14 SER CA C 13 58.275 0.045 . 1 . . . . . 14 SER CA . 53984 1
46 . 1 . 1 14 14 SER CB C 13 64.028 0.020 . 1 . . . . . 14 SER CB . 53984 1
47 . 1 . 1 14 14 SER N N 15 115.790 0.007 . 1 . . . . . 14 SER N . 53984 1
48 . 1 . 1 15 15 LYS H H 1 8.496 0.000 . 1 . . . . . 15 LYS H . 53984 1
49 . 1 . 1 15 15 LYS CA C 13 56.585 0.063 . 1 . . . . . 15 LYS CA . 53984 1
50 . 1 . 1 15 15 LYS CB C 13 32.831 0.049 . 1 . . . . . 15 LYS CB . 53984 1
51 . 1 . 1 15 15 LYS N N 15 123.722 0.005 . 1 . . . . . 15 LYS N . 53984 1
52 . 1 . 1 16 16 LYS H H 1 8.384 0.000 . 1 . . . . . 16 LYS H . 53984 1
53 . 1 . 1 16 16 LYS CA C 13 56.222 0.026 . 1 . . . . . 16 LYS CA . 53984 1
54 . 1 . 1 16 16 LYS CB C 13 33.027 0.018 . 1 . . . . . 16 LYS CB . 53984 1
55 . 1 . 1 16 16 LYS N N 15 123.657 0.000 . 1 . . . . . 16 LYS N . 53984 1
56 . 1 . 1 17 17 ALA H H 1 8.438 0.001 . 1 . . . . . 17 ALA H . 53984 1
57 . 1 . 1 17 17 ALA CA C 13 52.332 0.036 . 1 . . . . . 17 ALA CA . 53984 1
58 . 1 . 1 17 17 ALA CB C 13 19.201 0.016 . 1 . . . . . 17 ALA CB . 53984 1
59 . 1 . 1 17 17 ALA N N 15 126.565 0.011 . 1 . . . . . 17 ALA N . 53984 1
60 . 1 . 1 18 18 VAL H H 1 8.323 0.001 . 1 . . . . . 18 VAL H . 53984 1
61 . 1 . 1 18 18 VAL CA C 13 62.136 0.128 . 1 . . . . . 18 VAL CA . 53984 1
62 . 1 . 1 18 18 VAL CB C 13 32.786 0.021 . 1 . . . . . 18 VAL CB . 53984 1
63 . 1 . 1 18 18 VAL N N 15 120.825 0.008 . 1 . . . . . 18 VAL N . 53984 1
64 . 1 . 1 19 19 THR H H 1 8.362 0.001 . 1 . . . . . 19 THR H . 53984 1
65 . 1 . 1 19 19 THR CA C 13 61.842 0.127 . 1 . . . . . 19 THR CA . 53984 1
66 . 1 . 1 19 19 THR CB C 13 69.924 0.020 . 1 . . . . . 19 THR CB . 53984 1
67 . 1 . 1 19 19 THR N N 15 119.738 0.012 . 1 . . . . . 19 THR N . 53984 1
68 . 1 . 1 20 20 LYS H H 1 8.484 0.001 . 1 . . . . . 20 LYS H . 53984 1
69 . 1 . 1 20 20 LYS CA C 13 56.396 0.012 . 1 . . . . . 20 LYS CA . 53984 1
70 . 1 . 1 20 20 LYS CB C 13 32.996 0.008 . 1 . . . . . 20 LYS CB . 53984 1
71 . 1 . 1 20 20 LYS N N 15 124.767 0.011 . 1 . . . . . 20 LYS N . 53984 1
72 . 1 . 1 21 21 ALA H H 1 8.416 0.001 . 1 . . . . . 21 ALA H . 53984 1
73 . 1 . 1 21 21 ALA CA C 13 52.563 0.050 . 1 . . . . . 21 ALA CA . 53984 1
74 . 1 . 1 21 21 ALA CB C 13 19.168 0.020 . 1 . . . . . 21 ALA CB . 53984 1
75 . 1 . 1 21 21 ALA N N 15 125.869 0.013 . 1 . . . . . 21 ALA N . 53984 1
76 . 1 . 1 22 22 GLN H H 1 8.439 0.001 . 1 . . . . . 22 GLN H . 53984 1
77 . 1 . 1 22 22 GLN CA C 13 55.650 0.084 . 1 . . . . . 22 GLN CA . 53984 1
78 . 1 . 1 22 22 GLN CB C 13 29.642 0.004 . 1 . . . . . 22 GLN CB . 53984 1
79 . 1 . 1 22 22 GLN N N 15 120.537 0.011 . 1 . . . . . 22 GLN N . 53984 1
80 . 1 . 1 23 23 LYS H H 1 8.491 0.000 . 1 . . . . . 23 LYS H . 53984 1
81 . 1 . 1 23 23 LYS CA C 13 56.599 0.060 . 1 . . . . . 23 LYS CA . 53984 1
82 . 1 . 1 23 23 LYS CB C 13 32.849 0.057 . 1 . . . . . 23 LYS CB . 53984 1
83 . 1 . 1 23 23 LYS N N 15 123.811 0.004 . 1 . . . . . 23 LYS N . 53984 1
84 . 1 . 1 24 24 LYS H H 1 8.546 0.000 . 1 . . . . . 24 LYS H . 53984 1
85 . 1 . 1 24 24 LYS CA C 13 56.442 0.176 . 1 . . . . . 24 LYS CA . 53984 1
86 . 1 . 1 24 24 LYS CB C 13 32.936 0.072 . 1 . . . . . 24 LYS CB . 53984 1
87 . 1 . 1 24 24 LYS N N 15 123.588 0.003 . 1 . . . . . 24 LYS N . 53984 1
88 . 1 . 1 25 25 ASP H H 1 8.423 0.000 . 1 . . . . . 25 ASP H . 53984 1
89 . 1 . 1 25 25 ASP CA C 13 54.341 0.011 . 1 . . . . . 25 ASP CA . 53984 1
90 . 1 . 1 25 25 ASP CB C 13 41.204 0.032 . 1 . . . . . 25 ASP CB . 53984 1
91 . 1 . 1 25 25 ASP N N 15 121.890 0.017 . 1 . . . . . 25 ASP N . 53984 1
92 . 1 . 1 26 26 GLY H H 1 8.408 0.000 . 1 . . . . . 26 GLY H . 53984 1
93 . 1 . 1 26 26 GLY CA C 13 45.517 0.028 . 1 . . . . . 26 GLY CA . 53984 1
94 . 1 . 1 26 26 GLY N N 15 109.634 0.000 . 1 . . . . . 26 GLY N . 53984 1
95 . 1 . 1 27 27 LYS H H 1 8.242 0.001 . 1 . . . . . 27 LYS H . 53984 1
96 . 1 . 1 27 27 LYS CA C 13 56.608 0.076 . 1 . . . . . 27 LYS CA . 53984 1
97 . 1 . 1 27 27 LYS CB C 13 32.770 0.047 . 1 . . . . . 27 LYS CB . 53984 1
98 . 1 . 1 27 27 LYS N N 15 121.029 0.013 . 1 . . . . . 27 LYS N . 53984 1
99 . 1 . 1 28 28 LYS H H 1 8.360 0.000 . 1 . . . . . 28 LYS H . 53984 1
100 . 1 . 1 28 28 LYS CA C 13 56.193 0.028 . 1 . . . . . 28 LYS CA . 53984 1
101 . 1 . 1 28 28 LYS CB C 13 32.905 0.070 . 1 . . . . . 28 LYS CB . 53984 1
102 . 1 . 1 28 28 LYS N N 15 122.867 0.010 . 1 . . . . . 28 LYS N . 53984 1
103 . 1 . 1 29 29 CIR H H 1 8.421 0.000 . 1 . . . . . 29 CIR H . 53984 1
104 . 1 . 1 29 29 CIR CA C 13 56.317 0.232 . 1 . . . . . 29 CIR CA . 53984 1
105 . 1 . 1 29 29 CIR CB C 13 30.877 0.053 . 1 . . . . . 29 CIR CB . 53984 1
106 . 1 . 1 29 29 CIR N N 15 123.394 0.002 . 1 . . . . . 29 CIR N . 53984 1
107 . 1 . 1 30 30 LYS H H 1 8.432 0.000 . 1 . . . . . 30 LYS H . 53984 1
108 . 1 . 1 30 30 LYS CA C 13 56.343 0.205 . 1 . . . . . 30 LYS CA . 53984 1
109 . 1 . 1 30 30 LYS CB C 13 32.825 0.036 . 1 . . . . . 30 LYS CB . 53984 1
110 . 1 . 1 30 30 LYS N N 15 123.391 0.000 . 1 . . . . . 30 LYS N . 53984 1
111 . 1 . 1 31 31 CIR H H 1 8.374 0.000 . 1 . . . . . 31 CIR H . 53984 1
112 . 1 . 1 31 31 CIR CA C 13 56.445 0.153 . 1 . . . . . 31 CIR CA . 53984 1
113 . 1 . 1 31 31 CIR CB C 13 30.932 0.014 . 1 . . . . . 31 CIR CB . 53984 1
114 . 1 . 1 31 31 CIR N N 15 123.486 0.002 . 1 . . . . . 31 CIR N . 53984 1
115 . 1 . 1 32 32 SER H H 1 8.448 0.001 . 1 . . . . . 32 SER H . 53984 1
116 . 1 . 1 32 32 SER CA C 13 58.131 0.075 . 1 . . . . . 32 SER CA . 53984 1
117 . 1 . 1 32 32 SER CB C 13 63.880 0.035 . 1 . . . . . 32 SER CB . 53984 1
118 . 1 . 1 32 32 SER N N 15 117.472 0.011 . 1 . . . . . 32 SER N . 53984 1
119 . 1 . 1 33 33 CIR H H 1 8.417 0.000 . 1 . . . . . 33 CIR H . 53984 1
120 . 1 . 1 33 33 CIR CA C 13 56.552 0.272 . 1 . . . . . 33 CIR CA . 53984 1
121 . 1 . 1 33 33 CIR CB C 13 30.871 0.038 . 1 . . . . . 33 CIR CB . 53984 1
122 . 1 . 1 33 33 CIR N N 15 123.507 0.092 . 1 . . . . . 33 CIR N . 53984 1
123 . 1 . 1 34 34 LYS H H 1 8.360 0.001 . 1 . . . . . 34 LYS H . 53984 1
124 . 1 . 1 34 34 LYS CA C 13 56.375 0.302 . 1 . . . . . 34 LYS CA . 53984 1
125 . 1 . 1 34 34 LYS CB C 13 32.871 0.024 . 1 . . . . . 34 LYS CB . 53984 1
126 . 1 . 1 34 34 LYS N N 15 122.325 0.010 . 1 . . . . . 34 LYS N . 53984 1
127 . 1 . 1 35 35 GLU H H 1 8.444 0.000 . 1 . . . . . 35 GLU H . 53984 1
128 . 1 . 1 35 35 GLU CA C 13 56.552 0.093 . 1 . . . . . 35 GLU CA . 53984 1
129 . 1 . 1 35 35 GLU CB C 13 30.201 0.054 . 1 . . . . . 35 GLU CB . 53984 1
130 . 1 . 1 35 35 GLU N N 15 122.027 0.002 . 1 . . . . . 35 GLU N . 53984 1
131 . 1 . 1 36 36 SER H H 1 8.309 0.001 . 1 . . . . . 36 SER H . 53984 1
132 . 1 . 1 36 36 SER CA C 13 58.232 0.036 . 1 . . . . . 36 SER CA . 53984 1
133 . 1 . 1 36 36 SER CB C 13 63.865 0.031 . 1 . . . . . 36 SER CB . 53984 1
134 . 1 . 1 36 36 SER N N 15 116.572 0.013 . 1 . . . . . 36 SER N . 53984 1
135 . 1 . 1 37 37 TYR H H 1 8.179 0.001 . 1 . . . . . 37 TYR H . 53984 1
136 . 1 . 1 37 37 TYR CA C 13 57.849 0.126 . 1 . . . . . 37 TYR CA . 53984 1
137 . 1 . 1 37 37 TYR CB C 13 38.724 0.046 . 1 . . . . . 37 TYR CB . 53984 1
138 . 1 . 1 37 37 TYR N N 15 122.006 0.021 . 1 . . . . . 37 TYR N . 53984 1
139 . 1 . 1 38 38 SER H H 1 8.220 0.001 . 1 . . . . . 38 SER H . 53984 1
140 . 1 . 1 38 38 SER CA C 13 58.237 0.212 . 1 . . . . . 38 SER CA . 53984 1
141 . 1 . 1 38 38 SER CB C 13 63.971 0.013 . 1 . . . . . 38 SER CB . 53984 1
142 . 1 . 1 38 38 SER N N 15 118.395 0.006 . 1 . . . . . 38 SER N . 53984 1
143 . 1 . 1 39 39 VAL H H 1 7.825 0.001 . 1 . . . . . 39 VAL H . 53984 1
144 . 1 . 1 39 39 VAL CA C 13 63.666 0.000 . 1 . . . . . 39 VAL CA . 53984 1
145 . 1 . 1 39 39 VAL CB C 13 32.984 0.000 . 1 . . . . . 39 VAL CB . 53984 1
146 . 1 . 1 39 39 VAL N N 15 125.722 0.011 . 1 . . . . . 39 VAL N . 53984 1
stop_
save_