Content for NMR-STAR saveframe, "chemical_shift_1"
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 10022
_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 2D-3D-13C-13C-RFDR 1 $sample_1 isotripic 10022 1
2 2D-3D-13C-13C-DARR 1 $sample_1 isotripic 10022 1
3 2D-13C-13C-SPCz5 1 $sample_1 isotripic 10022 1
4 2D-13C-13C-INADEQUATE 1 $sample_1 isotripic 10022 1
5 2D-3D-15N-13C-RFDR 1 $sample_1 isotripic 10022 1
6 3D-15N-13C-SPECIFIC_CP 1 $sample_1 isotripic 10022 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 1 1 SER C C 13 168.4 0.3 . 1 . . . . 20 SER C . 10022 1
2 . 1 1 1 1 SER CA C 13 58.2 0.3 . 1 . . . . 20 SER CA . 10022 1
3 . 1 1 1 1 SER CB C 13 65.6 0.3 . 1 . . . . 20 SER CB . 10022 1
4 . 1 1 1 1 SER N N 15 37.2 0.5 . 1 . . . . 20 SER N . 10022 1
5 . 1 1 2 2 ASN C C 13 172.3 0.3 . 1 . . . . 21 ASN C . 10022 1
6 . 1 1 2 2 ASN CA C 13 51.7 0.3 . 1 . . . . 21 ASN CA . 10022 1
7 . 1 1 2 2 ASN CB C 13 41.3 0.3 . 1 . . . . 21 ASN CB . 10022 1
8 . 1 1 2 2 ASN CG C 13 177.3 0.3 . 1 . . . . 21 ASN CG . 10022 1
9 . 1 1 2 2 ASN N N 15 118 0.5 . 1 . . . . 21 ASN N . 10022 1
10 . 1 1 2 2 ASN ND2 N 15 119.49 0.5 . 1 . . . . 21 ASN ND2 . 10022 1
11 . 1 1 3 3 PHE C C 13 172.3 0.3 . 1 . . . . 22 PHE C . 10022 1
12 . 1 1 3 3 PHE CA C 13 55.7 0.3 . 1 . . . . 22 PHE CA . 10022 1
13 . 1 1 3 3 PHE CB C 13 40.5 0.3 . 1 . . . . 22 PHE CB . 10022 1
14 . 1 1 3 3 PHE CG C 13 137.9 0.3 . 1 . . . . 22 PHE CG . 10022 1
15 . 1 1 3 3 PHE CD1 C 13 132.6 0.3 . 1 . . . . 22 PHE CD1 . 10022 1
16 . 1 1 3 3 PHE CD2 C 13 132.6 0.3 . 1 . . . . 22 PHE CD2 . 10022 1
17 . 1 1 3 3 PHE CE1 C 13 131.47 0.3 . 1 . . . . 22 PHE CE1 . 10022 1
18 . 1 1 3 3 PHE CE2 C 13 131.47 0.3 . 1 . . . . 22 PHE CE2 . 10022 1
19 . 1 1 3 3 PHE CZ C 13 130.37 0.3 . 1 . . . . 22 PHE CZ . 10022 1
20 . 1 1 3 3 PHE N N 15 120.6 0.5 . 1 . . . . 22 PHE N . 10022 1
21 . 1 1 4 4 LEU C C 13 173.2 0.3 . 1 . . . . 23 LEU C . 10022 1
22 . 1 1 4 4 LEU CA C 13 54.2 0.3 . 1 . . . . 23 LEU CA . 10022 1
23 . 1 1 4 4 LEU CB C 13 44.4 0.3 . 1 . . . . 23 LEU CB . 10022 1
24 . 1 1 4 4 LEU CG C 13 29.1 0.3 . 1 . . . . 23 LEU CG . 10022 1
25 . 1 1 4 4 LEU CD1 C 13 24.07 0.3 . 2 . . . . 23 LEU CD1 . 10022 1
26 . 1 1 4 4 LEU CD2 C 13 23.74 0.3 . 2 . . . . 23 LEU CD2 . 10022 1
27 . 1 1 4 4 LEU N N 15 121.4 0.5 . 1 . . . . 23 LEU N . 10022 1
28 . 1 1 5 5 ASN C C 13 172.1 0.3 . 1 . . . . 24 ASN C . 10022 1
29 . 1 1 5 5 ASN CA C 13 51.8 0.3 . 1 . . . . 24 ASN CA . 10022 1
30 . 1 1 5 5 ASN CB C 13 41.9 0.3 . 1 . . . . 24 ASN CB . 10022 1
31 . 1 1 5 5 ASN CG C 13 175.3 0.3 . 1 . . . . 24 ASN CG . 10022 1
32 . 1 1 5 5 ASN N N 15 123.8 0.5 . 1 . . . . 24 ASN N . 10022 1
33 . 1 1 5 5 ASN ND2 N 15 118.72 0.5 . 1 . . . . 24 ASN ND2 . 10022 1
34 . 1 1 6 6 CYS C C 13 170.3 0.3 . 1 . . . . 25 CYS C . 10022 1
35 . 1 1 6 6 CYS CA C 13 56.3 0.3 . 1 . . . . 25 CYS CA . 10022 1
36 . 1 1 6 6 CYS CB C 13 29.7 0.3 . 1 . . . . 25 CYS CB . 10022 1
37 . 1 1 6 6 CYS N N 15 124.6 0.5 . 1 . . . . 25 CYS N . 10022 1
38 . 1 1 7 7 TYR C C 13 172.7 0.3 . 1 . . . . 26 TYR C . 10022 1
39 . 1 1 7 7 TYR CA C 13 55.7 0.3 . 1 . . . . 26 TYR CA . 10022 1
40 . 1 1 7 7 TYR CB C 13 40.7 0.3 . 1 . . . . 26 TYR CB . 10022 1
41 . 1 1 7 7 TYR CG C 13 128.2 0.3 . 1 . . . . 26 TYR CG . 10022 1
42 . 1 1 7 7 TYR CD1 C 13 133.2 0.3 . 1 . . . . 26 TYR CD1 . 10022 1
43 . 1 1 7 7 TYR CD2 C 13 133.2 0.3 . 1 . . . . 26 TYR CD2 . 10022 1
44 . 1 1 7 7 TYR CE1 C 13 118.16 0.3 . 1 . . . . 26 TYR CE1 . 10022 1
45 . 1 1 7 7 TYR CE2 C 13 118.16 0.3 . 1 . . . . 26 TYR CE2 . 10022 1
46 . 1 1 7 7 TYR CZ C 13 155.35 0.3 . 1 . . . . 26 TYR CZ . 10022 1
47 . 1 1 7 7 TYR N N 15 131.1 0.5 . 1 . . . . 26 TYR N . 10022 1
48 . 1 1 8 8 VAL C C 13 173.7 0.3 . 1 . . . . 27 VAL C . 10022 1
49 . 1 1 8 8 VAL CA C 13 59.6 0.3 . 1 . . . . 27 VAL CA . 10022 1
50 . 1 1 8 8 VAL CB C 13 34.4 0.3 . 1 . . . . 27 VAL CB . 10022 1
51 . 1 1 8 8 VAL CG1 C 13 20.5 0.3 . 1 . . . . 27 VAL CG1 . 10022 1
52 . 1 1 8 8 VAL CG2 C 13 20.5 0.3 . 1 . . . . 27 VAL CG2 . 10022 1
53 . 1 1 8 8 VAL N N 15 126.1 0.5 . 1 . . . . 27 VAL N . 10022 1
54 . 1 1 9 9 SER C C 13 175.9 0.3 . 1 . . . . 28 SER C . 10022 1
55 . 1 1 9 9 SER CA C 13 56.3 0.3 . 1 . . . . 28 SER CA . 10022 1
56 . 1 1 9 9 SER CB C 13 65.1 0.3 . 1 . . . . 28 SER CB . 10022 1
57 . 1 1 9 9 SER N N 15 117.2 0.5 . 1 . . . . 28 SER N . 10022 1
58 . 1 1 10 10 GLY C C 13 172.2 0.3 . 1 . . . . 29 GLY C . 10022 1
59 . 1 1 10 10 GLY CA C 13 45.8 0.3 . 1 . . . . 29 GLY CA . 10022 1
60 . 1 1 10 10 GLY N N 15 107.7 0.5 . 1 . . . . 29 GLY N . 10022 1
61 . 1 1 11 11 PHE C C 13 173.5 0.3 . 1 . . . . 30 PHE C . 10022 1
62 . 1 1 11 11 PHE CA C 13 55.7 0.3 . 1 . . . . 30 PHE CA . 10022 1
63 . 1 1 11 11 PHE CB C 13 38.8 0.3 . 1 . . . . 30 PHE CB . 10022 1
64 . 1 1 11 11 PHE CG C 13 139.3 0.3 . 1 . . . . 30 PHE CG . 10022 1
65 . 1 1 11 11 PHE CD1 C 13 132.3 0.3 . 1 . . . . 30 PHE CD1 . 10022 1
66 . 1 1 11 11 PHE CD2 C 13 132.3 0.3 . 1 . . . . 30 PHE CD2 . 10022 1
67 . 1 1 11 11 PHE CE1 C 13 131.48 0.3 . 1 . . . . 30 PHE CE1 . 10022 1
68 . 1 1 11 11 PHE CE2 C 13 131.48 0.3 . 1 . . . . 30 PHE CE2 . 10022 1
69 . 1 1 11 11 PHE CZ C 13 130.09 0.3 . 1 . . . . 30 PHE CZ . 10022 1
70 . 1 1 11 11 PHE N N 15 120.3 0.5 . 1 . . . . 30 PHE N . 10022 1
71 . 1 1 12 12 HIS C C 13 175.7 0.3 . 1 . . . . 31 HIS C . 10022 1
72 . 1 1 12 12 HIS CA C 13 56.3 0.3 . 1 . . . . 31 HIS CA . 10022 1
73 . 1 1 12 12 HIS CB C 13 29.2 0.3 . 1 . . . . 31 HIS CB . 10022 1
74 . 1 1 12 12 HIS CG C 13 130.6 0.3 . 1 . . . . 31 HIS CG . 10022 1
75 . 1 1 12 12 HIS CD2 C 13 122.05 0.3 . 1 . . . . 31 HIS CD2 . 10022 1
76 . 1 1 12 12 HIS CE1 C 13 135.3 0.3 . 1 . . . . 31 HIS CE1 . 10022 1
77 . 1 1 12 12 HIS N N 15 122.6 0.5 . 1 . . . . 31 HIS N . 10022 1
78 . 1 1 12 12 HIS ND1 N 15 176.6 0.5 . 4 . . . . 31 HIS ND1 . 10022 1
79 . 1 1 12 12 HIS NE2 N 15 180.4 0.5 . 4 . . . . 31 HIS NE2 . 10022 1
80 . 1 1 13 13 PRO C C 13 176.4 0.3 . 1 . . . . 32 PRO C . 10022 1
81 . 1 1 13 13 PRO CA C 13 62.4 0.3 . 1 . . . . 32 PRO CA . 10022 1
82 . 1 1 13 13 PRO CB C 13 32.4 0.3 . 1 . . . . 32 PRO CB . 10022 1
83 . 1 1 13 13 PRO CG C 13 27.1 0.3 . 1 . . . . 32 PRO CG . 10022 1
84 . 1 1 13 13 PRO CD C 13 50.1 0.3 . 1 . . . . 32 PRO CD . 10022 1
85 . 1 1 13 13 PRO N N 15 134.9 0.5 . 1 . . . . 32 PRO N . 10022 1
86 . 1 1 14 14 SER C C 13 172 0.3 . 1 . . . . 33 SER C . 10022 1
87 . 1 1 14 14 SER CA C 13 56.8 0.3 . 1 . . . . 33 SER CA . 10022 1
88 . 1 1 14 14 SER CB C 13 62.6 0.3 . 1 . . . . 33 SER CB . 10022 1
89 . 1 1 14 14 SER N N 15 118.7 0.5 . 1 . . . . 33 SER N . 10022 1
90 . 1 1 15 15 ASP C C 13 172.5 0.3 . 1 . . . . 34 ASP C . 10022 1
91 . 1 1 15 15 ASP CA C 13 51.2 0.3 . 1 . . . . 34 ASP CA . 10022 1
92 . 1 1 15 15 ASP CB C 13 42.1 0.3 . 1 . . . . 34 ASP CB . 10022 1
93 . 1 1 15 15 ASP CG C 13 175.1 0.3 . 1 . . . . 34 ASP CG . 10022 1
94 . 1 1 15 15 ASP N N 15 129.6 0.5 . 1 . . . . 34 ASP N . 10022 1
95 . 1 1 16 16 ILE C C 13 172.5 0.3 . 1 . . . . 35 ILE C . 10022 1
96 . 1 1 16 16 ILE CA C 13 59.6 0.3 . 1 . . . . 35 ILE CA . 10022 1
97 . 1 1 16 16 ILE CB C 13 41.9 0.3 . 1 . . . . 35 ILE CB . 10022 1
98 . 1 1 16 16 ILE CG1 C 13 27.1 0.3 . 4 . . . . 35 ILE CG1 . 10022 1
99 . 1 1 16 16 ILE CG2 C 13 17.4 0.3 . 4 . . . . 35 ILE CG2 . 10022 1
100 . 1 1 16 16 ILE CD1 C 13 13.5 0.3 . 1 . . . . 35 ILE CD1 . 10022 1
101 . 1 1 16 16 ILE N N 15 123.1 0.5 . 1 . . . . 35 ILE N . 10022 1
102 . 1 1 17 17 GLU C C 13 173.2 0.3 . 1 . . . . 36 GLU C . 10022 1
103 . 1 1 17 17 GLU CA C 13 53.8 0.3 . 1 . . . . 36 GLU CA . 10022 1
104 . 1 1 17 17 GLU CB C 13 31.1 0.3 . 1 . . . . 36 GLU CB . 10022 1
105 . 1 1 17 17 GLU CG C 13 32.4 0.3 . 1 . . . . 36 GLU CG . 10022 1
106 . 1 1 17 17 GLU CD C 13 180.05 0.3 . 1 . . . . 36 GLU CD . 10022 1
107 . 1 1 17 17 GLU N N 15 126.4 0.5 . 1 . . . . 36 GLU N . 10022 1
108 . 1 1 18 18 VAL C C 13 173.2 0.3 . 1 . . . . 37 VAL C . 10022 1
109 . 1 1 18 18 VAL CA C 13 60.1 0.3 . 1 . . . . 37 VAL CA . 10022 1
110 . 1 1 18 18 VAL CB C 13 33.9 0.3 . 1 . . . . 37 VAL CB . 10022 1
111 . 1 1 18 18 VAL CG1 C 13 19.9 0.3 . 1 . . . . 37 VAL CG1 . 10022 1
112 . 1 1 18 18 VAL CG2 C 13 19.9 0.3 . 1 . . . . 37 VAL CG2 . 10022 1
113 . 1 1 18 18 VAL N N 15 126.4 0.5 . 1 . . . . 37 VAL N . 10022 1
114 . 1 1 19 19 ASP C C 13 173 0.3 . 1 . . . . 38 ASP C . 10022 1
115 . 1 1 19 19 ASP CA C 13 51 0.3 . 1 . . . . 38 ASP CA . 10022 1
116 . 1 1 19 19 ASP CB C 13 39.9 0.3 . 1 . . . . 38 ASP CB . 10022 1
117 . 1 1 19 19 ASP CG C 13 175.61 0.3 . 1 . . . . 38 ASP CG . 10022 1
118 . 1 1 19 19 ASP N N 15 124.7 0.5 . 1 . . . . 38 ASP N . 10022 1
119 . 1 1 20 20 LEU C C 13 170.4 0.3 . 1 . . . . 39 LEU C . 10022 1
120 . 1 1 20 20 LEU CA C 13 53 0.3 . 1 . . . . 39 LEU CA . 10022 1
121 . 1 1 20 20 LEU CB C 13 44.6 0.3 . 1 . . . . 39 LEU CB . 10022 1
122 . 1 1 20 20 LEU CG C 13 26.9 0.3 . 1 . . . . 39 LEU CG . 10022 1
123 . 1 1 20 20 LEU CD1 C 13 24.3 0.3 . 2 . . . . 39 LEU CD1 . 10022 1
124 . 1 1 20 20 LEU CD2 C 13 23.7 0.3 . 2 . . . . 39 LEU CD2 . 10022 1
125 . 1 1 20 20 LEU N N 15 124.4 0.5 . 1 . . . . 39 LEU N . 10022 1
126 . 1 1 21 21 LEU C C 13 173.8 0.3 . 1 . . . . 40 LEU C . 10022 1
127 . 1 1 21 21 LEU CA C 13 53.5 0.3 . 1 . . . . 40 LEU CA . 10022 1
128 . 1 1 21 21 LEU CB C 13 43.1 0.3 . 1 . . . . 40 LEU CB . 10022 1
129 . 1 1 21 21 LEU CG C 13 28.6 0.3 . 1 . . . . 40 LEU CG . 10022 1
130 . 1 1 21 21 LEU CD1 C 13 24.6 0.3 . 2 . . . . 40 LEU CD1 . 10022 1
131 . 1 1 21 21 LEU CD2 C 13 23.8 0.3 . 2 . . . . 40 LEU CD2 . 10022 1
132 . 1 1 21 21 LEU N N 15 123.8 0.5 . 1 . . . . 40 LEU N . 10022 1
133 . 1 1 22 22 LYS C C 13 174.7 0.3 . 1 . . . . 41 LYS C . 10022 1
134 . 1 1 22 22 LYS CA C 13 54.3 0.3 . 1 . . . . 41 LYS CA . 10022 1
135 . 1 1 22 22 LYS CB C 13 31.3 0.3 . 1 . . . . 41 LYS CB . 10022 1
136 . 1 1 22 22 LYS CG C 13 26.9 0.3 . 1 . . . . 41 LYS CG . 10022 1
137 . 1 1 22 22 LYS CD C 13 29.4 0.3 . 1 . . . . 41 LYS CD . 10022 1
138 . 1 1 22 22 LYS CE C 13 42.35 0.3 . 1 . . . . 41 LYS CE . 10022 1
139 . 1 1 22 22 LYS N N 15 118.4 0.5 . 1 . . . . 41 LYS N . 10022 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 78 10022 1
1 79 10022 1
2 98 10022 1
2 99 10022 1
stop_
save_