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 51583
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name TBP_pH74
_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 '3D HNCO' . . . 51583 1
2 '3D HN(CA)CO' . . . 51583 1
3 '3D HN(CO)CA' . . . 51583 1
4 '3D HNCA' . . . 51583 1
5 '3D HN(CO)CACB' . . . 51583 1
6 '2D CACO' . . . 51583 1
7 '2D CON' . . . 51583 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 . . 51583 1
2 $software_2 . . 51583 1
3 $software_3 . . 51583 1
4 $software_4 . . 51583 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 3 3 ASN HD21 H 1 7.769 0.000 . 1 . . . . . 51 ASN HD21 . 51583 1
2 . 1 . 1 3 3 ASN ND2 N 15 113.425 0.000 . 1 . . . . . 51 ASN ND2 . 51583 1
3 . 1 . 1 4 4 SER C C 13 174.735 0.003 . 1 . . . . . 52 SER C . 51583 1
4 . 1 . 1 4 4 SER CA C 13 58.871 0.084 . 1 . . . . . 52 SER CA . 51583 1
5 . 1 . 1 5 5 LEU H H 1 8.430 0.001 . 1 . . . . . 53 LEU H . 51583 1
6 . 1 . 1 5 5 LEU C C 13 178.062 0.005 . 1 . . . . . 53 LEU C . 51583 1
7 . 1 . 1 5 5 LEU CA C 13 55.722 0.019 . 1 . . . . . 53 LEU CA . 51583 1
8 . 1 . 1 5 5 LEU N N 15 123.915 0.010 . 1 . . . . . 53 LEU N . 51583 1
9 . 1 . 1 6 6 SER H H 1 8.695 0.000 . 1 . . . . . 54 SER H . 51583 1
10 . 1 . 1 6 6 SER C C 13 175.392 0.003 . 1 . . . . . 54 SER C . 51583 1
11 . 1 . 1 6 6 SER CA C 13 58.719 0.029 . 1 . . . . . 54 SER CA . 51583 1
12 . 1 . 1 6 6 SER N N 15 117.848 0.036 . 1 . . . . . 54 SER N . 51583 1
13 . 1 . 1 7 7 ILE H H 1 8.344 0.001 . 1 . . . . . 55 ILE H . 51583 1
14 . 1 . 1 7 7 ILE C C 13 178.063 0.013 . 1 . . . . . 55 ILE C . 51583 1
15 . 1 . 1 7 7 ILE CA C 13 63.832 0.026 . 1 . . . . . 55 ILE CA . 51583 1
16 . 1 . 1 7 7 ILE N N 15 122.598 0.003 . 1 . . . . . 55 ILE N . 51583 1
17 . 1 . 1 8 8 LEU H H 1 8.071 0.001 . 1 . . . . . 56 LEU H . 51583 1
18 . 1 . 1 8 8 LEU C C 13 179.241 0.005 . 1 . . . . . 56 LEU C . 51583 1
19 . 1 . 1 8 8 LEU CA C 13 57.433 0.025 . 1 . . . . . 56 LEU CA . 51583 1
20 . 1 . 1 8 8 LEU N N 15 122.201 0.019 . 1 . . . . . 56 LEU N . 51583 1
21 . 1 . 1 9 9 GLU H H 1 8.205 0.001 . 1 . . . . . 57 GLU H . 51583 1
22 . 1 . 1 9 9 GLU C C 13 179.330 0.002 . 1 . . . . . 57 GLU C . 51583 1
23 . 1 . 1 9 9 GLU CA C 13 58.954 0.003 . 1 . . . . . 57 GLU CA . 51583 1
24 . 1 . 1 9 9 GLU N N 15 120.024 0.004 . 1 . . . . . 57 GLU N . 51583 1
25 . 1 . 1 10 10 GLU H H 1 8.437 0.000 . 1 . . . . . 58 GLU H . 51583 1
26 . 1 . 1 10 10 GLU C C 13 178.666 0.001 . 1 . . . . . 58 GLU C . 51583 1
27 . 1 . 1 10 10 GLU CA C 13 58.822 0.041 . 1 . . . . . 58 GLU CA . 51583 1
28 . 1 . 1 10 10 GLU N N 15 121.349 0.041 . 1 . . . . . 58 GLU N . 51583 1
29 . 1 . 1 11 11 GLN H H 1 8.280 0.002 . 1 . . . . . 59 GLN H . 51583 1
30 . 1 . 1 11 11 GLN HE21 H 1 7.589 0.000 . 1 . . . . . 59 GLN HE21 . 51583 1
31 . 1 . 1 11 11 GLN C C 13 178.846 0.005 . 1 . . . . . 59 GLN C . 51583 1
32 . 1 . 1 11 11 GLN CA C 13 58.683 0.017 . 1 . . . . . 59 GLN CA . 51583 1
33 . 1 . 1 11 11 GLN N N 15 120.060 0.032 . 1 . . . . . 59 GLN N . 51583 1
34 . 1 . 1 11 11 GLN NE2 N 15 111.743 0.002 . 1 . . . . . 59 GLN NE2 . 51583 1
35 . 1 . 1 12 12 GLN H H 1 8.330 0.000 . 1 . . . . . 60 GLN H . 51583 1
36 . 1 . 1 12 12 GLN HE21 H 1 7.592 0.000 . 1 . . . . . 60 GLN HE21 . 51583 1
37 . 1 . 1 12 12 GLN C C 13 178.297 0.004 . 1 . . . . . 60 GLN C . 51583 1
38 . 1 . 1 12 12 GLN CA C 13 58.449 0.001 . 1 . . . . . 60 GLN CA . 51583 1
39 . 1 . 1 12 12 GLN N N 15 119.608 0.024 . 1 . . . . . 60 GLN N . 51583 1
40 . 1 . 1 12 12 GLN NE2 N 15 111.855 0.001 . 1 . . . . . 60 GLN NE2 . 51583 1
41 . 1 . 1 13 13 ARG H H 1 8.190 0.001 . 1 . . . . . 61 ARG H . 51583 1
42 . 1 . 1 13 13 ARG C C 13 178.785 0.007 . 1 . . . . . 61 ARG C . 51583 1
43 . 1 . 1 13 13 ARG CA C 13 58.878 0.055 . 1 . . . . . 61 ARG CA . 51583 1
44 . 1 . 1 13 13 ARG N N 15 121.007 0.013 . 1 . . . . . 61 ARG N . 51583 1
45 . 1 . 1 14 14 GLN H H 1 8.264 0.001 . 1 . . . . . 62 GLN H . 51583 1
46 . 1 . 1 14 14 GLN HE21 H 1 7.757 0.000 . 1 . . . . . 62 GLN HE21 . 51583 1
47 . 1 . 1 14 14 GLN C C 13 178.280 0.002 . 1 . . . . . 62 GLN C . 51583 1
48 . 1 . 1 14 14 GLN CA C 13 58.320 0.001 . 1 . . . . . 62 GLN CA . 51583 1
49 . 1 . 1 14 14 GLN N N 15 119.415 0.013 . 1 . . . . . 62 GLN N . 51583 1
50 . 1 . 1 14 14 GLN NE2 N 15 112.440 0.001 . 1 . . . . . 62 GLN NE2 . 51583 1
51 . 1 . 1 15 15 GLN H H 1 8.228 0.003 . 1 . . . . . 63 GLN H . 51583 1
52 . 1 . 1 15 15 GLN HE21 H 1 7.601 0.000 . 1 . . . . . 63 GLN HE21 . 51583 1
53 . 1 . 1 15 15 GLN C C 13 178.070 0.004 . 1 . . . . . 63 GLN C . 51583 1
54 . 1 . 1 15 15 GLN CA C 13 58.122 0.029 . 1 . . . . . 63 GLN CA . 51583 1
55 . 1 . 1 15 15 GLN N N 15 119.869 0.016 . 1 . . . . . 63 GLN N . 51583 1
56 . 1 . 1 15 15 GLN NE2 N 15 112.085 0.000 . 1 . . . . . 63 GLN NE2 . 51583 1
57 . 1 . 1 16 16 GLN H H 1 8.247 0.001 . 1 . . . . . 64 GLN H . 51583 1
58 . 1 . 1 16 16 GLN HE21 H 1 7.611 0.000 . 1 . . . . . 64 GLN HE21 . 51583 1
59 . 1 . 1 16 16 GLN C C 13 177.952 0.009 . 1 . . . . . 64 GLN C . 51583 1
60 . 1 . 1 16 16 GLN CA C 13 57.947 0.019 . 1 . . . . . 64 GLN CA . 51583 1
61 . 1 . 1 16 16 GLN N N 15 119.806 0.010 . 1 . . . . . 64 GLN N . 51583 1
62 . 1 . 1 16 16 GLN NE2 N 15 112.247 0.000 . 1 . . . . . 64 GLN NE2 . 51583 1
63 . 1 . 1 17 17 GLN H H 1 8.250 0.002 . 1 . . . . . 65 GLN H . 51583 1
64 . 1 . 1 17 17 GLN HE21 H 1 7.609 0.000 . 1 . . . . . 65 GLN HE21 . 51583 1
65 . 1 . 1 17 17 GLN C C 13 177.766 0.007 . 1 . . . . . 65 GLN C . 51583 1
66 . 1 . 1 17 17 GLN CA C 13 57.800 0.019 . 1 . . . . . 65 GLN CA . 51583 1
67 . 1 . 1 17 17 GLN N N 15 119.862 0.012 . 1 . . . . . 65 GLN N . 51583 1
68 . 1 . 1 17 17 GLN NE2 N 15 112.326 0.000 . 1 . . . . . 65 GLN NE2 . 51583 1
69 . 1 . 1 18 18 GLN H H 1 8.262 0.002 . 1 . . . . . 66 GLN H . 51583 1
70 . 1 . 1 18 18 GLN HE21 H 1 7.613 0.000 . 1 . . . . . 66 GLN HE21 . 51583 1
71 . 1 . 1 18 18 GLN C C 13 177.655 0.004 . 1 . . . . . 66 GLN C . 51583 1
72 . 1 . 1 18 18 GLN CA C 13 57.596 0.000 . 1 . . . . . 66 GLN CA . 51583 1
73 . 1 . 1 18 18 GLN N N 15 119.964 0.016 . 1 . . . . . 66 GLN N . 51583 1
74 . 1 . 1 18 18 GLN NE2 N 15 112.372 0.000 . 1 . . . . . 66 GLN NE2 . 51583 1
75 . 1 . 1 19 19 GLN H H 1 8.269 0.002 . 1 . . . . . 67 GLN H . 51583 1
76 . 1 . 1 19 19 GLN HE21 H 1 7.616 0.000 . 1 . . . . . 67 GLN HE21 . 51583 1
77 . 1 . 1 19 19 GLN C C 13 177.511 0.004 . 1 . . . . . 67 GLN C . 51583 1
78 . 1 . 1 19 19 GLN CA C 13 57.444 0.002 . 1 . . . . . 67 GLN CA . 51583 1
79 . 1 . 1 19 19 GLN N N 15 119.997 0.012 . 1 . . . . . 67 GLN N . 51583 1
80 . 1 . 1 19 19 GLN NE2 N 15 112.433 0.000 . 1 . . . . . 67 GLN NE2 . 51583 1
81 . 1 . 1 20 20 GLN H H 1 8.287 0.002 . 1 . . . . . 68 GLN H . 51583 1
82 . 1 . 1 20 20 GLN HE21 H 1 7.618 0.000 . 1 . . . . . 68 GLN HE21 . 51583 1
83 . 1 . 1 20 20 GLN C C 13 177.359 0.006 . 1 . . . . . 68 GLN C . 51583 1
84 . 1 . 1 20 20 GLN CA C 13 57.289 0.006 . 1 . . . . . 68 GLN CA . 51583 1
85 . 1 . 1 20 20 GLN N N 15 120.069 0.009 . 1 . . . . . 68 GLN N . 51583 1
86 . 1 . 1 20 20 GLN NE2 N 15 112.492 0.000 . 1 . . . . . 68 GLN NE2 . 51583 1
87 . 1 . 1 21 21 GLN H H 1 8.303 0.000 . 1 . . . . . 69 GLN H . 51583 1
88 . 1 . 1 21 21 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 69 GLN HE21 . 51583 1
89 . 1 . 1 21 21 GLN C C 13 177.194 0.001 . 1 . . . . . 69 GLN C . 51583 1
90 . 1 . 1 21 21 GLN CA C 13 57.077 0.001 . 1 . . . . . 69 GLN CA . 51583 1
91 . 1 . 1 21 21 GLN N N 15 120.167 0.026 . 1 . . . . . 69 GLN N . 51583 1
92 . 1 . 1 21 21 GLN NE2 N 15 112.564 0.000 . 1 . . . . . 69 GLN NE2 . 51583 1
93 . 1 . 1 22 22 GLN H H 1 8.325 0.001 . 1 . . . . . 70 GLN H . 51583 1
94 . 1 . 1 22 22 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 70 GLN HE21 . 51583 1
95 . 1 . 1 22 22 GLN C C 13 177.039 0.006 . 1 . . . . . 70 GLN C . 51583 1
96 . 1 . 1 22 22 GLN CA C 13 56.939 0.002 . 1 . . . . . 70 GLN CA . 51583 1
97 . 1 . 1 22 22 GLN N N 15 120.257 0.012 . 1 . . . . . 70 GLN N . 51583 1
98 . 1 . 1 22 22 GLN NE2 N 15 112.605 0.000 . 1 . . . . . 70 GLN NE2 . 51583 1
99 . 1 . 1 23 23 GLN H H 1 8.345 0.000 . 1 . . . . . 71 GLN H . 51583 1
100 . 1 . 1 23 23 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 71 GLN HE21 . 51583 1
101 . 1 . 1 23 23 GLN C C 13 176.840 0.003 . 1 . . . . . 71 GLN C . 51583 1
102 . 1 . 1 23 23 GLN CA C 13 56.696 0.054 . 1 . . . . . 71 GLN CA . 51583 1
103 . 1 . 1 23 23 GLN N N 15 120.336 0.016 . 1 . . . . . 71 GLN N . 51583 1
104 . 1 . 1 23 23 GLN NE2 N 15 112.684 0.001 . 1 . . . . . 71 GLN NE2 . 51583 1
105 . 1 . 1 24 24 GLN H H 1 8.359 0.001 . 1 . . . . . 72 GLN H . 51583 1
106 . 1 . 1 24 24 GLN HE21 H 1 7.634 0.000 . 1 . . . . . 72 GLN HE21 . 51583 1
107 . 1 . 1 24 24 GLN C C 13 176.505 0.001 . 1 . . . . . 72 GLN C . 51583 1
108 . 1 . 1 24 24 GLN CA C 13 56.475 0.035 . 1 . . . . . 72 GLN CA . 51583 1
109 . 1 . 1 24 24 GLN N N 15 120.479 0.025 . 1 . . . . . 72 GLN N . 51583 1
110 . 1 . 1 24 24 GLN NE2 N 15 112.841 0.005 . 1 . . . . . 72 GLN NE2 . 51583 1
111 . 1 . 1 25 25 GLN H H 1 8.374 0.000 . 1 . . . . . 73 GLN H . 51583 1
112 . 1 . 1 25 25 GLN HE21 H 1 7.642 0.000 . 1 . . . . . 73 GLN HE21 . 51583 1
113 . 1 . 1 25 25 GLN C C 13 176.160 0.009 . 1 . . . . . 73 GLN C . 51583 1
114 . 1 . 1 25 25 GLN CA C 13 56.145 0.019 . 1 . . . . . 73 GLN CA . 51583 1
115 . 1 . 1 25 25 GLN N N 15 120.701 0.026 . 1 . . . . . 73 GLN N . 51583 1
116 . 1 . 1 25 25 GLN NE2 N 15 112.926 0.000 . 1 . . . . . 73 GLN NE2 . 51583 1
117 . 1 . 1 26 26 GLN H H 1 8.397 0.001 . 1 . . . . . 74 GLN H . 51583 1
118 . 1 . 1 26 26 GLN HE21 H 1 7.654 0.000 . 1 . . . . . 74 GLN HE21 . 51583 1
119 . 1 . 1 26 26 GLN C C 13 175.869 0.003 . 1 . . . . . 74 GLN C . 51583 1
120 . 1 . 1 26 26 GLN CA C 13 55.871 0.055 . 1 . . . . . 74 GLN CA . 51583 1
121 . 1 . 1 26 26 GLN N N 15 121.384 0.008 . 1 . . . . . 74 GLN N . 51583 1
122 . 1 . 1 26 26 GLN NE2 N 15 113.079 0.002 . 1 . . . . . 74 GLN NE2 . 51583 1
123 . 1 . 1 27 27 LYS H H 1 8.397 0.000 . 1 . . . . . 75 LYS H . 51583 1
124 . 1 . 1 27 27 LYS C C 13 176.014 0.001 . 1 . . . . . 75 LYS C . 51583 1
125 . 1 . 1 27 27 LYS CA C 13 56.379 0.021 . 1 . . . . . 75 LYS CA . 51583 1
126 . 1 . 1 27 27 LYS N N 15 123.476 0.005 . 1 . . . . . 75 LYS N . 51583 1
127 . 1 . 1 28 28 LYS H H 1 8.408 0.001 . 1 . . . . . 76 LYS H . 51583 1
128 . 1 . 1 28 28 LYS C C 13 175.193 0.003 . 1 . . . . . 76 LYS C . 51583 1
129 . 1 . 1 28 28 LYS CA C 13 56.050 0.025 . 1 . . . . . 76 LYS CA . 51583 1
130 . 1 . 1 28 28 LYS N N 15 123.737 0.044 . 1 . . . . . 76 LYS N . 51583 1
131 . 1 . 1 29 29 TYR H H 1 7.877 0.002 . 1 . . . . . 77 TYR H . 51583 1
132 . 1 . 1 29 29 TYR C C 13 180.459 0.001 . 1 . . . . . 77 TYR C . 51583 1
133 . 1 . 1 29 29 TYR CA C 13 59.161 0.036 . 1 . . . . . 77 TYR CA . 51583 1
134 . 1 . 1 29 29 TYR N N 15 126.381 0.012 . 1 . . . . . 77 TYR N . 51583 1
stop_
save_