Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51583
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name TBP_pH28
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
8 '3D HNCO' . . . 51583 2
9 '3D HN(CA)CO' . . . 51583 2
10 '3D HN(CO)CA' . . . 51583 2
11 '3D HNCA' . . . 51583 2
12 '3D HN(CO)CACB' . . . 51583 2
13 '2D CON' . . . 51583 2
14 '2D CACO' . . . 51583 2
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 2
2 $software_2 . . 51583 2
3 $software_3 . . 51583 2
4 $software_4 . . 51583 2
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 LYS C C 13 172.636 0.003 . 1 . . . . . 49 LYS C . 51583 2
2 . 1 . 1 1 1 LYS CA C 13 55.507 0.009 . 1 . . . . . 49 LYS CA . 51583 2
3 . 1 . 1 2 2 LYS H H 1 8.870 0.001 . 1 . . . . . 50 LYS H . 51583 2
4 . 1 . 1 2 2 LYS C C 13 176.036 0.000 . 1 . . . . . 50 LYS C . 51583 2
5 . 1 . 1 2 2 LYS CA C 13 56.535 0.004 . 1 . . . . . 50 LYS CA . 51583 2
6 . 1 . 1 2 2 LYS N N 15 124.431 0.028 . 1 . . . . . 50 LYS N . 51583 2
7 . 1 . 1 3 3 ASN H H 1 8.806 0.001 . 1 . . . . . 51 ASN H . 51583 2
8 . 1 . 1 3 3 ASN HD21 H 1 7.734 0.000 . 1 . . . . . 51 ASN HD21 . 51583 2
9 . 1 . 1 3 3 ASN C C 13 175.258 0.004 . 1 . . . . . 51 ASN C . 51583 2
10 . 1 . 1 3 3 ASN CA C 13 53.098 0.021 . 1 . . . . . 51 ASN CA . 51583 2
11 . 1 . 1 3 3 ASN N N 15 121.638 0.008 . 1 . . . . . 51 ASN N . 51583 2
12 . 1 . 1 3 3 ASN ND2 N 15 113.318 0.000 . 1 . . . . . 51 ASN ND2 . 51583 2
13 . 1 . 1 4 4 SER H H 1 8.494 0.001 . 1 . . . . . 52 SER H . 51583 2
14 . 1 . 1 4 4 SER C C 13 174.735 0.009 . 1 . . . . . 52 SER C . 51583 2
15 . 1 . 1 4 4 SER CA C 13 58.878 0.012 . 1 . . . . . 52 SER CA . 51583 2
16 . 1 . 1 4 4 SER N N 15 117.159 0.022 . 1 . . . . . 52 SER N . 51583 2
17 . 1 . 1 5 5 LEU H H 1 8.440 0.001 . 1 . . . . . 53 LEU H . 51583 2
18 . 1 . 1 5 5 LEU C C 13 177.864 0.002 . 1 . . . . . 53 LEU C . 51583 2
19 . 1 . 1 5 5 LEU CA C 13 55.890 0.016 . 1 . . . . . 53 LEU CA . 51583 2
20 . 1 . 1 5 5 LEU N N 15 124.115 0.034 . 1 . . . . . 53 LEU N . 51583 2
21 . 1 . 1 6 6 SER H H 1 8.302 0.001 . 1 . . . . . 54 SER H . 51583 2
22 . 1 . 1 6 6 SER C C 13 175.586 0.002 . 1 . . . . . 54 SER C . 51583 2
23 . 1 . 1 6 6 SER CA C 13 58.839 0.066 . 1 . . . . . 54 SER CA . 51583 2
24 . 1 . 1 6 6 SER N N 15 116.780 0.036 . 1 . . . . . 54 SER N . 51583 2
25 . 1 . 1 7 7 ILE H H 1 8.256 0.001 . 1 . . . . . 55 ILE H . 51583 2
26 . 1 . 1 7 7 ILE C C 13 177.947 0.004 . 1 . . . . . 55 ILE C . 51583 2
27 . 1 . 1 7 7 ILE CA C 13 63.623 0.014 . 1 . . . . . 55 ILE CA . 51583 2
28 . 1 . 1 7 7 ILE N N 15 122.859 0.031 . 1 . . . . . 55 ILE N . 51583 2
29 . 1 . 1 8 8 LEU H H 1 8.129 0.001 . 1 . . . . . 56 LEU H . 51583 2
30 . 1 . 1 8 8 LEU C C 13 179.228 0.004 . 1 . . . . . 56 LEU C . 51583 2
31 . 1 . 1 8 8 LEU CA C 13 57.361 0.006 . 1 . . . . . 56 LEU CA . 51583 2
32 . 1 . 1 8 8 LEU N N 15 122.380 0.039 . 1 . . . . . 56 LEU N . 51583 2
33 . 1 . 1 9 9 GLU H H 1 8.221 0.001 . 1 . . . . . 57 GLU H . 51583 2
34 . 1 . 1 9 9 GLU C C 13 178.621 0.002 . 1 . . . . . 57 GLU C . 51583 2
35 . 1 . 1 9 9 GLU CA C 13 58.010 0.001 . 1 . . . . . 57 GLU CA . 51583 2
36 . 1 . 1 9 9 GLU N N 15 118.896 0.007 . 1 . . . . . 57 GLU N . 51583 2
37 . 1 . 1 10 10 GLU H H 1 8.362 0.001 . 1 . . . . . 58 GLU H . 51583 2
38 . 1 . 1 10 10 GLU C C 13 178.093 0.003 . 1 . . . . . 58 GLU C . 51583 2
39 . 1 . 1 10 10 GLU CA C 13 58.144 0.018 . 1 . . . . . 58 GLU CA . 51583 2
40 . 1 . 1 10 10 GLU N N 15 120.462 0.011 . 1 . . . . . 58 GLU N . 51583 2
41 . 1 . 1 11 11 GLN H H 1 8.371 0.003 . 1 . . . . . 59 GLN H . 51583 2
42 . 1 . 1 11 11 GLN HE21 H 1 7.563 0.000 . 1 . . . . . 59 GLN HE21 . 51583 2
43 . 1 . 1 11 11 GLN C C 13 178.350 0.016 . 1 . . . . . 59 GLN C . 51583 2
44 . 1 . 1 11 11 GLN CA C 13 58.241 0.033 . 1 . . . . . 59 GLN CA . 51583 2
45 . 1 . 1 11 11 GLN N N 15 120.439 0.031 . 1 . . . . . 59 GLN N . 51583 2
46 . 1 . 1 11 11 GLN NE2 N 15 111.729 0.000 . 1 . . . . . 59 GLN NE2 . 51583 2
47 . 1 . 1 12 12 GLN H H 1 8.352 0.001 . 1 . . . . . 60 GLN H . 51583 2
48 . 1 . 1 12 12 GLN HE21 H 1 7.601 0.000 . 1 . . . . . 60 GLN HE21 . 51583 2
49 . 1 . 1 12 12 GLN C C 13 178.075 0.006 . 1 . . . . . 60 GLN C . 51583 2
50 . 1 . 1 12 12 GLN CA C 13 58.097 0.003 . 1 . . . . . 60 GLN CA . 51583 2
51 . 1 . 1 12 12 GLN N N 15 119.950 0.067 . 1 . . . . . 60 GLN N . 51583 2
52 . 1 . 1 12 12 GLN NE2 N 15 111.946 0.000 . 1 . . . . . 60 GLN NE2 . 51583 2
53 . 1 . 1 13 13 ARG H H 1 8.189 0.001 . 1 . . . . . 61 ARG H . 51583 2
54 . 1 . 1 13 13 ARG C C 13 178.231 0.005 . 1 . . . . . 61 ARG C . 51583 2
55 . 1 . 1 13 13 ARG CA C 13 58.394 0.039 . 1 . . . . . 61 ARG CA . 51583 2
56 . 1 . 1 13 13 ARG N N 15 120.614 0.002 . 1 . . . . . 61 ARG N . 51583 2
57 . 1 . 1 14 14 GLN H H 1 8.253 0.002 . 1 . . . . . 62 GLN H . 51583 2
58 . 1 . 1 14 14 GLN HE21 H 1 7.557 0.000 . 1 . . . . . 62 GLN HE21 . 51583 2
59 . 1 . 1 14 14 GLN C C 13 177.887 0.002 . 1 . . . . . 62 GLN C . 51583 2
60 . 1 . 1 14 14 GLN CA C 13 57.919 0.011 . 1 . . . . . 62 GLN CA . 51583 2
61 . 1 . 1 14 14 GLN N N 15 119.957 0.001 . 1 . . . . . 62 GLN N . 51583 2
62 . 1 . 1 14 14 GLN NE2 N 15 112.251 0.000 . 1 . . . . . 62 GLN NE2 . 51583 2
63 . 1 . 1 15 15 GLN H H 1 8.284 0.001 . 1 . . . . . 63 GLN H . 51583 2
64 . 1 . 1 15 15 GLN HE21 H 1 7.609 0.000 . 1 . . . . . 63 GLN HE21 . 51583 2
65 . 1 . 1 15 15 GLN C C 13 177.757 0.006 . 1 . . . . . 63 GLN C . 51583 2
66 . 1 . 1 15 15 GLN CA C 13 57.742 0.008 . 1 . . . . . 63 GLN CA . 51583 2
67 . 1 . 1 15 15 GLN N N 15 120.200 0.028 . 1 . . . . . 63 GLN N . 51583 2
68 . 1 . 1 15 15 GLN NE2 N 15 112.241 0.000 . 1 . . . . . 63 GLN NE2 . 51583 2
69 . 1 . 1 16 16 GLN H H 1 8.323 0.001 . 1 . . . . . 64 GLN H . 51583 2
70 . 1 . 1 16 16 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 64 GLN HE21 . 51583 2
71 . 1 . 1 16 16 GLN C C 13 177.587 0.013 . 1 . . . . . 64 GLN C . 51583 2
72 . 1 . 1 16 16 GLN CA C 13 57.654 0.001 . 1 . . . . . 64 GLN CA . 51583 2
73 . 1 . 1 16 16 GLN N N 15 120.163 0.028 . 1 . . . . . 64 GLN N . 51583 2
74 . 1 . 1 16 16 GLN NE2 N 15 112.321 0.000 . 1 . . . . . 64 GLN NE2 . 51583 2
75 . 1 . 1 17 17 GLN H H 1 8.323 0.002 . 1 . . . . . 65 GLN H . 51583 2
76 . 1 . 1 17 17 GLN HE21 H 1 7.617 0.000 . 1 . . . . . 65 GLN HE21 . 51583 2
77 . 1 . 1 17 17 GLN C C 13 177.501 0.000 . 1 . . . . . 65 GLN C . 51583 2
78 . 1 . 1 17 17 GLN CA C 13 57.474 0.001 . 1 . . . . . 65 GLN CA . 51583 2
79 . 1 . 1 17 17 GLN N N 15 120.293 0.041 . 1 . . . . . 65 GLN N . 51583 2
80 . 1 . 1 17 17 GLN NE2 N 15 112.376 0.000 . 1 . . . . . 65 GLN NE2 . 51583 2
81 . 1 . 1 18 18 GLN H H 1 8.325 0.001 . 1 . . . . . 66 GLN H . 51583 2
82 . 1 . 1 18 18 GLN HE21 H 1 7.618 0.000 . 1 . . . . . 66 GLN HE21 . 51583 2
83 . 1 . 1 18 18 GLN C C 13 177.491 0.000 . 1 . . . . . 66 GLN C . 51583 2
84 . 1 . 1 18 18 GLN CA C 13 57.421 0.002 . 1 . . . . . 66 GLN CA . 51583 2
85 . 1 . 1 18 18 GLN N N 15 120.305 0.030 . 1 . . . . . 66 GLN N . 51583 2
86 . 1 . 1 18 18 GLN NE2 N 15 112.457 0.000 . 1 . . . . . 66 GLN NE2 . 51583 2
87 . 1 . 1 19 19 GLN H H 1 8.328 0.003 . 1 . . . . . 67 GLN H . 51583 2
88 . 1 . 1 19 19 GLN HE21 H 1 7.619 0.000 . 1 . . . . . 67 GLN HE21 . 51583 2
89 . 1 . 1 19 19 GLN C C 13 177.394 0.003 . 1 . . . . . 67 GLN C . 51583 2
90 . 1 . 1 19 19 GLN CA C 13 57.381 0.005 . 1 . . . . . 67 GLN CA . 51583 2
91 . 1 . 1 19 19 GLN N N 15 120.321 0.031 . 1 . . . . . 67 GLN N . 51583 2
92 . 1 . 1 19 19 GLN NE2 N 15 112.497 0.000 . 1 . . . . . 67 GLN NE2 . 51583 2
93 . 1 . 1 20 20 GLN H H 1 8.335 0.002 . 1 . . . . . 68 GLN H . 51583 2
94 . 1 . 1 20 20 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 68 GLN HE21 . 51583 2
95 . 1 . 1 20 20 GLN C C 13 177.299 0.017 . 1 . . . . . 68 GLN C . 51583 2
96 . 1 . 1 20 20 GLN CA C 13 57.227 0.002 . 1 . . . . . 68 GLN CA . 51583 2
97 . 1 . 1 20 20 GLN N N 15 120.338 0.021 . 1 . . . . . 68 GLN N . 51583 2
98 . 1 . 1 20 20 GLN NE2 N 15 112.544 0.000 . 1 . . . . . 68 GLN NE2 . 51583 2
99 . 1 . 1 21 21 GLN H H 1 8.344 0.002 . 1 . . . . . 69 GLN H . 51583 2
100 . 1 . 1 21 21 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 69 GLN HE21 . 51583 2
101 . 1 . 1 21 21 GLN C C 13 177.170 0.000 . 1 . . . . . 69 GLN C . 51583 2
102 . 1 . 1 21 21 GLN CA C 13 57.065 0.000 . 1 . . . . . 69 GLN CA . 51583 2
103 . 1 . 1 21 21 GLN N N 15 120.412 0.015 . 1 . . . . . 69 GLN N . 51583 2
104 . 1 . 1 21 21 GLN NE2 N 15 112.621 0.000 . 1 . . . . . 69 GLN NE2 . 51583 2
105 . 1 . 1 22 22 GLN H H 1 8.364 0.000 . 1 . . . . . 70 GLN H . 51583 2
106 . 1 . 1 22 22 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 70 GLN HE21 . 51583 2
107 . 1 . 1 22 22 GLN C C 13 177.056 0.003 . 1 . . . . . 70 GLN C . 51583 2
108 . 1 . 1 22 22 GLN CA C 13 56.927 0.001 . 1 . . . . . 70 GLN CA . 51583 2
109 . 1 . 1 22 22 GLN N N 15 120.468 0.041 . 1 . . . . . 70 GLN N . 51583 2
110 . 1 . 1 22 22 GLN NE2 N 15 112.666 0.000 . 1 . . . . . 70 GLN NE2 . 51583 2
111 . 1 . 1 23 23 GLN H H 1 8.374 0.002 . 1 . . . . . 71 GLN H . 51583 2
112 . 1 . 1 23 23 GLN HE21 H 1 7.624 0.000 . 1 . . . . . 71 GLN HE21 . 51583 2
113 . 1 . 1 23 23 GLN C C 13 176.897 0.003 . 1 . . . . . 71 GLN C . 51583 2
114 . 1 . 1 23 23 GLN CA C 13 56.781 0.040 . 1 . . . . . 71 GLN CA . 51583 2
115 . 1 . 1 23 23 GLN N N 15 120.505 0.014 . 1 . . . . . 71 GLN N . 51583 2
116 . 1 . 1 23 23 GLN NE2 N 15 112.691 0.000 . 1 . . . . . 71 GLN NE2 . 51583 2
117 . 1 . 1 24 24 GLN H H 1 8.374 0.000 . 1 . . . . . 72 GLN H . 51583 2
118 . 1 . 1 24 24 GLN HE21 H 1 7.629 0.000 . 1 . . . . . 72 GLN HE21 . 51583 2
119 . 1 . 1 24 24 GLN C C 13 176.610 0.006 . 1 . . . . . 72 GLN C . 51583 2
120 . 1 . 1 24 24 GLN CA C 13 56.474 0.013 . 1 . . . . . 72 GLN CA . 51583 2
121 . 1 . 1 24 24 GLN N N 15 120.521 0.007 . 1 . . . . . 72 GLN N . 51583 2
122 . 1 . 1 24 24 GLN NE2 N 15 112.829 0.000 . 1 . . . . . 72 GLN NE2 . 51583 2
123 . 1 . 1 25 25 GLN H H 1 8.381 0.001 . 1 . . . . . 73 GLN H . 51583 2
124 . 1 . 1 25 25 GLN HE21 H 1 7.632 0.000 . 1 . . . . . 73 GLN HE21 . 51583 2
125 . 1 . 1 25 25 GLN C C 13 176.281 0.003 . 1 . . . . . 73 GLN C . 51583 2
126 . 1 . 1 25 25 GLN CA C 13 56.206 0.016 . 1 . . . . . 73 GLN CA . 51583 2
127 . 1 . 1 25 25 GLN N N 15 120.699 0.030 . 1 . . . . . 73 GLN N . 51583 2
128 . 1 . 1 25 25 GLN NE2 N 15 112.890 0.000 . 1 . . . . . 73 GLN NE2 . 51583 2
129 . 1 . 1 26 26 GLN H H 1 8.390 0.001 . 1 . . . . . 74 GLN H . 51583 2
130 . 1 . 1 26 26 GLN HE21 H 1 7.648 0.000 . 1 . . . . . 74 GLN HE21 . 51583 2
131 . 1 . 1 26 26 GLN C C 13 176.038 0.003 . 1 . . . . . 74 GLN C . 51583 2
132 . 1 . 1 26 26 GLN CA C 13 55.975 0.003 . 1 . . . . . 74 GLN CA . 51583 2
133 . 1 . 1 26 26 GLN N N 15 121.167 0.020 . 1 . . . . . 74 GLN N . 51583 2
134 . 1 . 1 26 26 GLN NE2 N 15 113.038 0.000 . 1 . . . . . 74 GLN NE2 . 51583 2
135 . 1 . 1 27 27 LYS H H 1 8.353 0.000 . 1 . . . . . 75 LYS H . 51583 2
136 . 1 . 1 27 27 LYS C C 13 176.058 0.003 . 1 . . . . . 75 LYS C . 51583 2
137 . 1 . 1 27 27 LYS CA C 13 56.378 0.052 . 1 . . . . . 75 LYS CA . 51583 2
138 . 1 . 1 27 27 LYS N N 15 123.033 0.016 . 1 . . . . . 75 LYS N . 51583 2
139 . 1 . 1 28 28 LYS H H 1 8.329 0.001 . 1 . . . . . 76 LYS H . 51583 2
140 . 1 . 1 28 28 LYS C C 13 175.970 0.004 . 1 . . . . . 76 LYS C . 51583 2
141 . 1 . 1 28 28 LYS CA C 13 56.051 0.033 . 1 . . . . . 76 LYS CA . 51583 2
142 . 1 . 1 28 28 LYS N N 15 122.873 0.006 . 1 . . . . . 76 LYS N . 51583 2
143 . 1 . 1 29 29 TYR H H 1 8.415 0.002 . 1 . . . . . 77 TYR H . 51583 2
144 . 1 . 1 29 29 TYR C C 13 177.507 0.000 . 1 . . . . . 77 TYR C . 51583 2
145 . 1 . 1 29 29 TYR N N 15 122.041 0.010 . 1 . . . . . 77 TYR N . 51583 2
stop_
save_