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 53469
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'EcMscL G22S 1H detected'
_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 hCANH' . . . 53469 1
3 '3D hCONH' . . . 53469 1
4 '3D hCAcoNH' . . . 53469 1
5 '3D hCOcaNH' . . . 53469 1
6 '4D hCXCANH' . . . 53469 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 . . 53469 1
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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 33 33 VAL H H 1 8.31 . . . . . . . . 33 VAL H . 53469 1
2 . 1 . 1 33 33 VAL C C 13 177.05 . . . . . . . . 33 VAL CO . 53469 1
3 . 1 . 1 33 33 VAL CA C 13 66.94 . . . . . . . . 33 VAL CA . 53469 1
4 . 1 . 1 33 33 VAL N N 15 119.05 . . . . . . . . 33 VAL N . 53469 1
5 . 1 . 1 34 34 SER H H 1 8.22 . . . . . . . . 34 SER H . 53469 1
6 . 1 . 1 34 34 SER CA C 13 61.76 . . . . . . . . 34 SER CA . 53469 1
7 . 1 . 1 34 34 SER N N 15 113.82 . . . . . . . . 34 SER N . 53469 1
8 . 1 . 1 58 58 ALA H H 1 8.51 . . . . . . . . 58 ALA H . 53469 1
9 . 1 . 1 58 58 ALA CA C 13 51.58 . . . . . . . . 58 ALA CA . 53469 1
10 . 1 . 1 58 58 ALA N N 15 130.11 . . . . . . . . 58 ALA N . 53469 1
11 . 1 . 1 62 62 ARG H H 1 8.38 . . . . . . . . 62 ARG H . 53469 1
12 . 1 . 1 62 62 ARG C C 13 177.25 . . . . . . . . 62 ARG CO . 53469 1
13 . 1 . 1 62 62 ARG CA C 13 55.7 . . . . . . . . 62 ARG CA . 53469 1
14 . 1 . 1 62 62 ARG N N 15 117.4 . . . . . . . . 62 ARG N . 53469 1
15 . 1 . 1 63 63 ASP H H 1 9.14 . . . . . . . . 63 ASP H . 53469 1
16 . 1 . 1 63 63 ASP C C 13 174.35 . . . . . . . . 63 ASP CO . 53469 1
17 . 1 . 1 63 63 ASP CA C 13 53.55 . . . . . . . . 63 ASP CA . 53469 1
18 . 1 . 1 63 63 ASP N N 15 125.78 . . . . . . . . 63 ASP N . 53469 1
19 . 1 . 1 64 64 ALA H H 1 8.92 . . . . . . . . 64 ALA H . 53469 1
20 . 1 . 1 64 64 ALA CA C 13 54.17 . . . . . . . . 64 ALA CA . 53469 1
21 . 1 . 1 64 64 ALA N N 15 122 . . . . . . . . 64 ALA N . 53469 1
22 . 1 . 1 73 73 MET H H 1 9.15 . . . . . . . . 73 MET H . 53469 1
23 . 1 . 1 73 73 MET CA C 13 54.01 . . . . . . . . 73 MET CA . 53469 1
24 . 1 . 1 73 73 MET N N 15 124.51 . . . . . . . . 73 MET N . 53469 1
25 . 1 . 1 77 77 VAL H H 1 8.15 . . . . . . . . 77 VAL H . 53469 1
26 . 1 . 1 77 77 VAL C C 13 179.31 . . . . . . . . 77 VAL CO . 53469 1
27 . 1 . 1 77 77 VAL CA C 13 66.16 . . . . . . . . 77 VAL CA . 53469 1
28 . 1 . 1 77 77 VAL N N 15 121.61 . . . . . . . . 77 VAL N . 53469 1
29 . 1 . 1 78 78 PHE H H 1 8.27 . . . . . . . . 78 PHE H . 53469 1
30 . 1 . 1 78 78 PHE C C 13 178.88 . . . . . . . . 78 PHE CO . 53469 1
31 . 1 . 1 78 78 PHE CA C 13 61.24 . . . . . . . . 78 PHE CA . 53469 1
32 . 1 . 1 78 78 PHE CB C 13 42.31 . . . . . . . . 78 PHE CB . 53469 1
33 . 1 . 1 78 78 PHE N N 15 119.02 . . . . . . . . 78 PHE N . 53469 1
34 . 1 . 1 79 79 ILE H H 1 8.41 . . . . . . . . 79 ILE H . 53469 1
35 . 1 . 1 79 79 ILE C C 13 177.46 . . . . . . . . 79 ILE CO . 53469 1
36 . 1 . 1 79 79 ILE CA C 13 64.074 . . . . . . . . 79 ILE CA . 53469 1
37 . 1 . 1 79 79 ILE N N 15 118.03 . . . . . . . . 79 ILE N . 53469 1
38 . 1 . 1 80 80 GLN H H 1 8.08 . . . . . . . . 80 GLN H . 53469 1
39 . 1 . 1 80 80 GLN C C 13 178.47 . . . . . . . . 80 GLN CO . 53469 1
40 . 1 . 1 80 80 GLN CA C 13 59.29 . . . . . . . . 80 GLN CA . 53469 1
41 . 1 . 1 80 80 GLN CB C 13 27.66 . . . . . . . . 80 GLN CB . 53469 1
42 . 1 . 1 80 80 GLN N N 15 119.22 . . . . . . . . 80 GLN N . 53469 1
43 . 1 . 1 81 81 ASN H H 1 8.55 . . . . . . . . 81 ASN H . 53469 1
44 . 1 . 1 81 81 ASN CA C 13 56.57 . . . . . . . . 81 ASN CA . 53469 1
45 . 1 . 1 81 81 ASN N N 15 116.45 . . . . . . . . 81 ASN N . 53469 1
46 . 1 . 1 113 113 PRO C C 13 176.36 . . . . . . . . 113 PRO CO . 53469 1
47 . 1 . 1 114 114 ALA H H 1 8.48 . . . . . . . . 114 ALA H . 53469 1
48 . 1 . 1 114 114 ALA CA C 13 49.97 . . . . . . . . 114 ALA CA . 53469 1
49 . 1 . 1 114 114 ALA CB C 13 25.3 . . . . . . . . 114 ALA CB . 53469 1
50 . 1 . 1 114 114 ALA N N 15 125.66 . . . . . . . . 114 ALA N . 53469 1
51 . 1 . 1 116 116 THR H H 1 8.41 . . . . . . . . 116 THR H . 53469 1
52 . 1 . 1 116 116 THR C C 13 177.63 . . . . . . . . 116 THR CO . 53469 1
53 . 1 . 1 116 116 THR CA C 13 60.4 . . . . . . . . 116 THR CA . 53469 1
54 . 1 . 1 116 116 THR N N 15 113.85 . . . . . . . . 116 THR N . 53469 1
55 . 1 . 1 117 117 LYS H H 1 8.94 . . . . . . . . 117 LYS H . 53469 1
56 . 1 . 1 117 117 LYS C C 13 175.17 . . . . . . . . 117 LYS CO . 53469 1
57 . 1 . 1 117 117 LYS CA C 13 58.82 . . . . . . . . 117 LYS CA . 53469 1
58 . 1 . 1 117 117 LYS N N 15 120.79 . . . . . . . . 117 LYS N . 53469 1
59 . 1 . 1 118 118 GLU H H 1 9.18 . . . . . . . . 118 GLU H . 53469 1
60 . 1 . 1 118 118 GLU C C 13 179.67 . . . . . . . . 118 GLU CO . 53469 1
61 . 1 . 1 118 118 GLU CA C 13 60.57 . . . . . . . . 118 GLU CA . 53469 1
62 . 1 . 1 118 118 GLU N N 15 117.63 . . . . . . . . 118 GLU N . 53469 1
63 . 1 . 1 119 119 GLU H H 1 8.18 . . . . . . . . 119 GLU H . 53469 1
64 . 1 . 1 119 119 GLU CA C 13 59.16 . . . . . . . . 119 GLU CA . 53469 1
65 . 1 . 1 119 119 GLU N N 15 120.1 . . . . . . . . 119 GLU N . 53469 1
66 . 1 . 1 120 120 VAL H H 1 8.44 . . . . . . . . 120 VAL H . 53469 1
67 . 1 . 1 120 120 VAL C C 13 179.74 . . . . . . . . 120 VAL CO . 53469 1
68 . 1 . 1 120 120 VAL CA C 13 66.61 . . . . . . . . 120 VAL CA . 53469 1
69 . 1 . 1 120 120 VAL N N 15 122.66 . . . . . . . . 120 VAL N . 53469 1
70 . 1 . 1 121 121 LEU H H 1 8.14 . . . . . . . . 121 LEU H . 53469 1
71 . 1 . 1 121 121 LEU C C 13 179.34 . . . . . . . . 121 LEU CO . 53469 1
72 . 1 . 1 121 121 LEU CA C 13 57.71 . . . . . . . . 121 LEU CA . 53469 1
73 . 1 . 1 121 121 LEU CB C 13 42.31 . . . . . . . . 121 LEU CB . 53469 1
74 . 1 . 1 121 121 LEU N N 15 121.04 . . . . . . . . 121 LEU N . 53469 1
75 . 1 . 1 122 122 LEU H H 1 8.74 . . . . . . . . 122 LEU H . 53469 1
76 . 1 . 1 122 122 LEU C C 13 179.46 . . . . . . . . 122 LEU CO . 53469 1
77 . 1 . 1 122 122 LEU CA C 13 57.41 . . . . . . . . 122 LEU CA . 53469 1
78 . 1 . 1 122 122 LEU CB C 13 42.32 . . . . . . . . 122 LEU CB . 53469 1
79 . 1 . 1 122 122 LEU N N 15 117.52 . . . . . . . . 122 LEU N . 53469 1
80 . 1 . 1 123 123 THR H H 1 8.17 . . . . . . . . 123 THR H . 53469 1
81 . 1 . 1 123 123 THR C C 13 178.56 . . . . . . . . 123 THR CO . 53469 1
82 . 1 . 1 123 123 THR CA C 13 67.12 . . . . . . . . 123 THR CA . 53469 1
83 . 1 . 1 123 123 THR N N 15 117.12 . . . . . . . . 123 THR N . 53469 1
84 . 1 . 1 124 124 GLU H H 1 7.89 . . . . . . . . 124 GLU H . 53469 1
85 . 1 . 1 124 124 GLU C C 13 175.02 . . . . . . . . 124 GLU CO . 53469 1
86 . 1 . 1 124 124 GLU CA C 13 59.42 . . . . . . . . 124 GLU CA . 53469 1
87 . 1 . 1 124 124 GLU N N 15 121.26 . . . . . . . . 124 GLU N . 53469 1
88 . 1 . 1 125 125 ILE H H 1 8.57 . . . . . . . . 125 ILE H . 53469 1
89 . 1 . 1 125 125 ILE C C 13 179.59 . . . . . . . . 125 ILE CO . 53469 1
90 . 1 . 1 125 125 ILE CA C 13 65.8 . . . . . . . . 125 ILE CA . 53469 1
91 . 1 . 1 125 125 ILE N N 15 119.85 . . . . . . . . 125 ILE N . 53469 1
92 . 1 . 1 126 126 ARG H H 1 8.46 . . . . . . . . 126 ARG H . 53469 1
93 . 1 . 1 126 126 ARG CA C 13 60.02 . . . . . . . . 126 ARG CA . 53469 1
94 . 1 . 1 126 126 ARG N N 15 120.14 . . . . . . . . 126 ARG N . 53469 1
95 . 1 . 1 127 127 ASP H H 1 8.82 . . . . . . . . 127 ASP H . 53469 1
96 . 1 . 1 127 127 ASP C C 13 178.89 . . . . . . . . 127 ASP CO . 53469 1
97 . 1 . 1 127 127 ASP CA C 13 57.47 . . . . . . . . 127 ASP CA . 53469 1
98 . 1 . 1 127 127 ASP CB C 13 38.73 . . . . . . . . 127 ASP CB . 53469 1
99 . 1 . 1 127 127 ASP N N 15 119.93 . . . . . . . . 127 ASP N . 53469 1
100 . 1 . 1 128 128 LEU H H 1 8.73 . . . . . . . . 128 LEU H . 53469 1
101 . 1 . 1 128 128 LEU C C 13 179.06 . . . . . . . . 128 LEU CO . 53469 1
102 . 1 . 1 128 128 LEU CA C 13 59.49 . . . . . . . . 128 LEU CA . 53469 1
103 . 1 . 1 128 128 LEU N N 15 121.21 . . . . . . . . 128 LEU N . 53469 1
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save_