Content for NMR-STAR saveframe, assigned_chemical_shifts_3
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 53980
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'PAD1 citrullinated Histone H4(1-33) T30Y'
_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' . . . 53980 1
2 '3D HNCACB' . . . 53980 1
3 '3D CBCA(CO)NH' . . . 53980 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 . . 53980 1
2 $software_2 . . 53980 1
3 $software_3 . . 53980 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 SER CA C 13 57.567 0.106 . 1 . . . . . 1 SER CA . 53980 1
2 . 1 . 1 1 1 SER CB C 13 63.335 0.015 . 1 . . . . . 1 SER CB . 53980 1
3 . 1 . 1 2 2 GLY H H 1 8.775 0.002 . 1 . . . . . 2 GLY H . 53980 1
4 . 1 . 1 2 2 GLY CA C 13 45.136 0.057 . 1 . . . . . 2 GLY CA . 53980 1
5 . 1 . 1 2 2 GLY N N 15 109.682 0.020 . 1 . . . . . 2 GLY N . 53980 1
6 . 1 . 1 3 3 CIR H H 1 8.474 0.001 . 1 . . . . . 3 CIR H . 53980 1
7 . 1 . 1 3 3 CIR CA C 13 56.542 0.068 . 1 . . . . . 3 CIR CA . 53980 1
8 . 1 . 1 3 3 CIR CB C 13 30.859 0.026 . 1 . . . . . 3 CIR CB . 53980 1
9 . 1 . 1 3 3 CIR N N 15 121.254 0.008 . 1 . . . . . 3 CIR N . 53980 1
10 . 1 . 1 4 4 GLY H H 1 8.565 0.002 . 1 . . . . . 4 GLY H . 53980 1
11 . 1 . 1 4 4 GLY CA C 13 45.134 0.047 . 1 . . . . . 4 GLY CA . 53980 1
12 . 1 . 1 4 4 GLY N N 15 110.253 0.007 . 1 . . . . . 4 GLY N . 53980 1
13 . 1 . 1 5 5 LYS H H 1 8.391 0.002 . 1 . . . . . 5 LYS H . 53980 1
14 . 1 . 1 5 5 LYS CA C 13 56.362 0.150 . 1 . . . . . 5 LYS CA . 53980 1
15 . 1 . 1 5 5 LYS CB C 13 32.797 0.055 . 1 . . . . . 5 LYS CB . 53980 1
16 . 1 . 1 5 5 LYS N N 15 121.134 0.004 . 1 . . . . . 5 LYS N . 53980 1
17 . 1 . 1 6 6 GLY H H 1 8.607 0.000 . 1 . . . . . 6 GLY H . 53980 1
18 . 1 . 1 6 6 GLY CA C 13 45.291 0.058 . 1 . . . . . 6 GLY CA . 53980 1
19 . 1 . 1 6 6 GLY N N 15 110.303 0.001 . 1 . . . . . 6 GLY N . 53980 1
20 . 1 . 1 7 7 GLY H H 1 8.302 0.000 . 1 . . . . . 7 GLY H . 53980 1
21 . 1 . 1 7 7 GLY CA C 13 45.155 0.063 . 1 . . . . . 7 GLY CA . 53980 1
22 . 1 . 1 7 7 GLY N N 15 108.870 0.017 . 1 . . . . . 7 GLY N . 53980 1
23 . 1 . 1 8 8 LYS H H 1 8.338 0.002 . 1 . . . . . 8 LYS H . 53980 1
24 . 1 . 1 8 8 LYS CA C 13 56.469 0.140 . 1 . . . . . 8 LYS CA . 53980 1
25 . 1 . 1 8 8 LYS CB C 13 32.837 0.080 . 1 . . . . . 8 LYS CB . 53980 1
26 . 1 . 1 8 8 LYS N N 15 120.769 0.011 . 1 . . . . . 8 LYS N . 53980 1
27 . 1 . 1 9 9 GLY H H 1 8.541 0.002 . 1 . . . . . 9 GLY H . 53980 1
28 . 1 . 1 9 9 GLY CA C 13 45.229 0.031 . 1 . . . . . 9 GLY CA . 53980 1
29 . 1 . 1 9 9 GLY N N 15 110.007 0.000 . 1 . . . . . 9 GLY N . 53980 1
30 . 1 . 1 10 10 LEU H H 1 8.255 0.001 . 1 . . . . . 10 LEU H . 53980 1
31 . 1 . 1 10 10 LEU CA C 13 55.156 0.037 . 1 . . . . . 10 LEU CA . 53980 1
32 . 1 . 1 10 10 LEU CB C 13 42.394 0.015 . 1 . . . . . 10 LEU CB . 53980 1
33 . 1 . 1 10 10 LEU N N 15 121.484 0.009 . 1 . . . . . 10 LEU N . 53980 1
34 . 1 . 1 11 11 GLY H H 1 8.544 0.001 . 1 . . . . . 11 GLY H . 53980 1
35 . 1 . 1 11 11 GLY CA C 13 45.155 0.061 . 1 . . . . . 11 GLY CA . 53980 1
36 . 1 . 1 11 11 GLY N N 15 109.655 0.013 . 1 . . . . . 11 GLY N . 53980 1
37 . 1 . 1 12 12 LYS H H 1 8.384 0.000 . 1 . . . . . 12 LYS H . 53980 1
38 . 1 . 1 12 12 LYS CA C 13 56.388 0.116 . 1 . . . . . 12 LYS CA . 53980 1
39 . 1 . 1 12 12 LYS CB C 13 32.829 0.025 . 1 . . . . . 12 LYS CB . 53980 1
40 . 1 . 1 12 12 LYS N N 15 121.127 0.001 . 1 . . . . . 12 LYS N . 53980 1
41 . 1 . 1 13 13 GLY H H 1 8.609 0.002 . 1 . . . . . 13 GLY H . 53980 1
42 . 1 . 1 13 13 GLY CA C 13 45.286 0.103 . 1 . . . . . 13 GLY CA . 53980 1
43 . 1 . 1 13 13 GLY N N 15 110.282 0.019 . 1 . . . . . 13 GLY N . 53980 1
44 . 1 . 1 14 14 GLY H H 1 8.329 0.001 . 1 . . . . . 14 GLY H . 53980 1
45 . 1 . 1 14 14 GLY CA C 13 45.187 0.051 . 1 . . . . . 14 GLY CA . 53980 1
46 . 1 . 1 14 14 GLY N N 15 108.826 0.008 . 1 . . . . . 14 GLY N . 53980 1
47 . 1 . 1 15 15 ALA H H 1 8.238 0.001 . 1 . . . . . 15 ALA H . 53980 1
48 . 1 . 1 15 15 ALA CA C 13 52.712 0.081 . 1 . . . . . 15 ALA CA . 53980 1
49 . 1 . 1 15 15 ALA CB C 13 19.224 0.059 . 1 . . . . . 15 ALA CB . 53980 1
50 . 1 . 1 15 15 ALA N N 15 123.829 0.009 . 1 . . . . . 15 ALA N . 53980 1
51 . 1 . 1 16 16 LYS H H 1 8.376 0.001 . 1 . . . . . 16 LYS H . 53980 1
52 . 1 . 1 16 16 LYS CA C 13 56.297 0.112 . 1 . . . . . 16 LYS CA . 53980 1
53 . 1 . 1 16 16 LYS CB C 13 32.826 0.033 . 1 . . . . . 16 LYS CB . 53980 1
54 . 1 . 1 16 16 LYS N N 15 120.741 0.030 . 1 . . . . . 16 LYS N . 53980 1
55 . 1 . 1 17 17 CIR H H 1 8.268 0.001 . 1 . . . . . 17 CIR H . 53980 1
56 . 1 . 1 17 17 CIR CA C 13 56.310 0.081 . 1 . . . . . 17 CIR CA . 53980 1
57 . 1 . 1 17 17 CIR CB C 13 30.834 0.030 . 1 . . . . . 17 CIR CB . 53980 1
58 . 1 . 1 17 17 CIR N N 15 122.349 0.016 . 1 . . . . . 17 CIR N . 53980 1
59 . 1 . 1 18 18 HIS H H 1 8.506 0.001 . 1 . . . . . 18 HIS H . 53980 1
60 . 1 . 1 18 18 HIS CA C 13 55.608 0.085 . 1 . . . . . 18 HIS CA . 53980 1
61 . 1 . 1 18 18 HIS CB C 13 29.686 0.162 . 1 . . . . . 18 HIS CB . 53980 1
62 . 1 . 1 18 18 HIS N N 15 120.351 0.016 . 1 . . . . . 18 HIS N . 53980 1
63 . 1 . 1 19 19 CIR H H 1 8.295 0.001 . 1 . . . . . 19 CIR H . 53980 1
64 . 1 . 1 19 19 CIR CA C 13 56.317 0.078 . 1 . . . . . 19 CIR CA . 53980 1
65 . 1 . 1 19 19 CIR CB C 13 30.948 0.016 . 1 . . . . . 19 CIR CB . 53980 1
66 . 1 . 1 19 19 CIR N N 15 123.177 0.011 . 1 . . . . . 19 CIR N . 53980 1
67 . 1 . 1 20 20 LYS H H 1 8.460 0.001 . 1 . . . . . 20 LYS H . 53980 1
68 . 1 . 1 20 20 LYS CA C 13 56.578 0.122 . 1 . . . . . 20 LYS CA . 53980 1
69 . 1 . 1 20 20 LYS CB C 13 32.885 0.074 . 1 . . . . . 20 LYS CB . 53980 1
70 . 1 . 1 20 20 LYS N N 15 123.574 0.025 . 1 . . . . . 20 LYS N . 53980 1
71 . 1 . 1 21 21 VAL H H 1 8.260 0.002 . 1 . . . . . 21 VAL H . 53980 1
72 . 1 . 1 21 21 VAL CA C 13 62.409 0.106 . 1 . . . . . 21 VAL CA . 53980 1
73 . 1 . 1 21 21 VAL CB C 13 32.793 0.023 . 1 . . . . . 21 VAL CB . 53980 1
74 . 1 . 1 21 21 VAL N N 15 122.791 0.019 . 1 . . . . . 21 VAL N . 53980 1
75 . 1 . 1 22 22 LEU H H 1 8.402 0.001 . 1 . . . . . 22 LEU H . 53980 1
76 . 1 . 1 22 22 LEU CA C 13 55.005 0.054 . 1 . . . . . 22 LEU CA . 53980 1
77 . 1 . 1 22 22 LEU CB C 13 42.070 0.021 . 1 . . . . . 22 LEU CB . 53980 1
78 . 1 . 1 22 22 LEU N N 15 126.618 0.026 . 1 . . . . . 22 LEU N . 53980 1
79 . 1 . 1 23 23 CIR H H 1 8.340 0.001 . 1 . . . . . 23 CIR H . 53980 1
80 . 1 . 1 23 23 CIR CA C 13 56.251 0.151 . 1 . . . . . 23 CIR CA . 53980 1
81 . 1 . 1 23 23 CIR CB C 13 30.894 0.068 . 1 . . . . . 23 CIR CB . 53980 1
82 . 1 . 1 23 23 CIR N N 15 122.579 0.042 . 1 . . . . . 23 CIR N . 53980 1
83 . 1 . 1 24 24 ASP H H 1 8.357 0.000 . 1 . . . . . 24 ASP H . 53980 1
84 . 1 . 1 24 24 ASP CA C 13 54.549 0.038 . 1 . . . . . 24 ASP CA . 53980 1
85 . 1 . 1 24 24 ASP CB C 13 41.143 0.018 . 1 . . . . . 24 ASP CB . 53980 1
86 . 1 . 1 24 24 ASP N N 15 121.072 0.005 . 1 . . . . . 24 ASP N . 53980 1
87 . 1 . 1 25 25 ASN H H 1 8.391 0.001 . 1 . . . . . 25 ASN H . 53980 1
88 . 1 . 1 25 25 ASN CA C 13 53.349 0.086 . 1 . . . . . 25 ASN CA . 53980 1
89 . 1 . 1 25 25 ASN CB C 13 38.610 0.049 . 1 . . . . . 25 ASN CB . 53980 1
90 . 1 . 1 25 25 ASN N N 15 118.716 0.013 . 1 . . . . . 25 ASN N . 53980 1
91 . 1 . 1 26 26 ILE H H 1 8.162 0.002 . 1 . . . . . 26 ILE H . 53980 1
92 . 1 . 1 26 26 ILE CA C 13 61.710 0.058 . 1 . . . . . 26 ILE CA . 53980 1
93 . 1 . 1 26 26 ILE CB C 13 38.287 0.100 . 1 . . . . . 26 ILE CB . 53980 1
94 . 1 . 1 26 26 ILE N N 15 121.247 0.030 . 1 . . . . . 26 ILE N . 53980 1
95 . 1 . 1 27 27 GLN H H 1 8.521 0.001 . 1 . . . . . 27 GLN H . 53980 1
96 . 1 . 1 27 27 GLN CA C 13 56.190 0.020 . 1 . . . . . 27 GLN CA . 53980 1
97 . 1 . 1 27 27 GLN CB C 13 29.275 0.032 . 1 . . . . . 27 GLN CB . 53980 1
98 . 1 . 1 27 27 GLN N N 15 123.631 0.018 . 1 . . . . . 27 GLN N . 53980 1
99 . 1 . 1 28 28 GLY H H 1 8.369 0.001 . 1 . . . . . 28 GLY H . 53980 1
100 . 1 . 1 28 28 GLY CA C 13 45.260 0.045 . 1 . . . . . 28 GLY CA . 53980 1
101 . 1 . 1 28 28 GLY N N 15 110.046 0.019 . 1 . . . . . 28 GLY N . 53980 1
102 . 1 . 1 29 29 ILE H H 1 7.905 0.001 . 1 . . . . . 29 ILE H . 53980 1
103 . 1 . 1 29 29 ILE CA C 13 61.107 0.041 . 1 . . . . . 29 ILE CA . 53980 1
104 . 1 . 1 29 29 ILE CB C 13 38.652 0.033 . 1 . . . . . 29 ILE CB . 53980 1
105 . 1 . 1 29 29 ILE N N 15 119.741 0.025 . 1 . . . . . 29 ILE N . 53980 1
106 . 1 . 1 30 30 TYR H H 1 8.420 0.001 . 1 . . . . . 30 TYR H . 53980 1
107 . 1 . 1 30 30 TYR CA C 13 57.918 0.110 . 1 . . . . . 30 TYR CA . 53980 1
108 . 1 . 1 30 30 TYR CB C 13 38.715 0.011 . 1 . . . . . 30 TYR CB . 53980 1
109 . 1 . 1 30 30 TYR N N 15 125.457 0.064 . 1 . . . . . 30 TYR N . 53980 1
110 . 1 . 1 31 31 LYS H H 1 8.130 0.002 . 1 . . . . . 31 LYS H . 53980 1
111 . 1 . 1 31 31 LYS CA C 13 53.453 0.021 . 1 . . . . . 31 LYS CA . 53980 1
112 . 1 . 1 31 31 LYS CB C 13 33.059 0.000 . 1 . . . . . 31 LYS CB . 53980 1
113 . 1 . 1 31 31 LYS N N 15 126.699 0.015 . 1 . . . . . 31 LYS N . 53980 1
114 . 1 . 1 32 32 PRO CA C 13 63.087 0.091 . 1 . . . . . 32 PRO CA . 53980 1
115 . 1 . 1 32 32 PRO CB C 13 32.010 0.014 . 1 . . . . . 32 PRO CB . 53980 1
116 . 1 . 1 33 33 ALA H H 1 8.048 0.001 . 1 . . . . . 33 ALA H . 53980 1
117 . 1 . 1 33 33 ALA CA C 13 53.892 0.060 . 1 . . . . . 33 ALA CA . 53980 1
118 . 1 . 1 33 33 ALA CB C 13 19.870 0.000 . 1 . . . . . 33 ALA CB . 53980 1
119 . 1 . 1 33 33 ALA N N 15 130.092 0.016 . 1 . . . . . 33 ALA N . 53980 1
stop_
save_