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 50431
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Assigned_chemical_shifts_1
_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' . . . 50431 1
2 '3D HNCACB' . . . 50431 1
3 '3D 1H-15N NOESY' . . . 50431 1
4 '3D CBCA(CO)NH' . . . 50431 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 . . 50431 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 4 4 ASP H H 1 8.414 0.00 . 1 . . . . . 46 ASP HN . 50431 1
2 . 1 . 1 4 4 ASP N N 15 119.484 0.00 . 1 . . . . . 46 ASP N . 50431 1
3 . 1 . 1 5 5 SER H H 1 8.062 0.00 . 1 . . . . . 47 SER HN . 50431 1
4 . 1 . 1 5 5 SER N N 15 114.707 0.00 . 1 . . . . . 47 SER N . 50431 1
5 . 1 . 1 6 6 ILE H H 1 8.078 0.00 . 1 . . . . . 48 ILE HN . 50431 1
6 . 1 . 1 6 6 ILE N N 15 121.934 0.00 . 1 . . . . . 48 ILE N . 50431 1
7 . 1 . 1 7 7 ARG H H 1 8.737 0.00 . 1 . . . . . 49 ARG HN . 50431 1
8 . 1 . 1 7 7 ARG N N 15 127.055 0.00 . 1 . . . . . 49 ARG N . 50431 1
9 . 1 . 1 8 8 LEU H H 1 8.209 0.00 . 1 . . . . . 50 LEU HN . 50431 1
10 . 1 . 1 8 8 LEU N N 15 124.726 0.00 . 1 . . . . . 50 LEU N . 50431 1
11 . 1 . 1 10 10 ALA H H 1 8.697 0.00 . 1 . . . . . 52 ALA HN . 50431 1
12 . 1 . 1 10 10 ALA N N 15 123.659 0.00 . 1 . . . . . 52 ALA N . 50431 1
13 . 1 . 1 11 11 HIS H H 1 8.244 0.00 . 1 . . . . . 53 HIS HN . 50431 1
14 . 1 . 1 11 11 HIS N N 15 112.327 0.00 . 1 . . . . . 53 HIS N . 50431 1
15 . 1 . 1 12 12 LEU H H 1 7.031 0.00 . 1 . . . . . 54 LEU HN . 50431 1
16 . 1 . 1 12 12 LEU N N 15 119.940 0.00 . 1 . . . . . 54 LEU N . 50431 1
17 . 1 . 1 13 13 ARG H H 1 7.335 0.00 . 1 . . . . . 55 ARG HN . 50431 1
18 . 1 . 1 13 13 ARG N N 15 116.843 0.00 . 1 . . . . . 55 ARG N . 50431 1
19 . 1 . 1 14 14 LEU H H 1 7.980 0.00 . 1 . . . . . 56 LEU HN . 50431 1
20 . 1 . 1 14 14 LEU N N 15 119.992 0.00 . 1 . . . . . 56 LEU N . 50431 1
21 . 1 . 1 17 17 ILE H H 1 7.088 0.00 . 1 . . . . . 59 ILE HN . 50431 1
22 . 1 . 1 17 17 ILE N N 15 112.920 0.00 . 1 . . . . . 59 ILE N . 50431 1
23 . 1 . 1 18 18 TYR H H 1 7.871 0.00 . 1 . . . . . 60 TYR HN . 50431 1
24 . 1 . 1 18 18 TYR N N 15 119.451 0.00 . 1 . . . . . 60 TYR N . 50431 1
25 . 1 . 1 19 19 TRP H H 1 8.021 0.00 . 1 . . . . . 61 TRP HN . 50431 1
26 . 1 . 1 19 19 TRP N N 15 121.443 0.00 . 1 . . . . . 61 TRP N . 50431 1
27 . 1 . 1 20 20 SER H H 1 10.658 0.00 . 1 . . . . . 62 SER HN . 50431 1
28 . 1 . 1 20 20 SER N N 15 126.045 0.00 . 1 . . . . . 62 SER N . 50431 1
29 . 1 . 1 21 21 ARG H H 1 9.370 0.00 . 1 . . . . . 63 ARG HN . 50431 1
30 . 1 . 1 21 21 ARG N N 15 121.289 0.00 . 1 . . . . . 63 ARG N . 50431 1
31 . 1 . 1 22 22 ASP H H 1 8.333 0.00 . 1 . . . . . 64 ASP HN . 50431 1
32 . 1 . 1 22 22 ASP N N 15 120.481 0.00 . 1 . . . . . 64 ASP N . 50431 1
33 . 1 . 1 23 23 ASP H H 1 7.941 0.00 . 1 . . . . . 65 ASP HN . 50431 1
34 . 1 . 1 23 23 ASP N N 15 122.082 0.00 . 1 . . . . . 65 ASP N . 50431 1
35 . 1 . 1 24 24 VAL H H 1 8.217 0.00 . 1 . . . . . 66 VAL HN . 50431 1
36 . 1 . 1 24 24 VAL N N 15 120.100 0.00 . 1 . . . . . 66 VAL N . 50431 1
37 . 1 . 1 25 25 ALA H H 1 7.684 0.00 . 1 . . . . . 67 ALA HN . 50431 1
38 . 1 . 1 25 25 ALA N N 15 120.850 0.00 . 1 . . . . . 67 ALA N . 50431 1
39 . 1 . 1 26 26 GLN H H 1 8.295 0.00 . 1 . . . . . 68 GLN HN . 50431 1
40 . 1 . 1 26 26 GLN N N 15 117.843 0.00 . 1 . . . . . 68 GLN N . 50431 1
41 . 1 . 1 27 27 TRP H H 1 8.911 0.00 . 1 . . . . . 69 TRP HN . 50431 1
42 . 1 . 1 27 27 TRP N N 15 125.930 0.00 . 1 . . . . . 69 TRP N . 50431 1
43 . 1 . 1 28 28 LEU H H 1 8.328 0.00 . 1 . . . . . 70 LEU HN . 50431 1
44 . 1 . 1 28 28 LEU N N 15 118.218 0.00 . 1 . . . . . 70 LEU N . 50431 1
45 . 1 . 1 29 29 LYS H H 1 7.410 0.00 . 1 . . . . . 71 LYS HN . 50431 1
46 . 1 . 1 29 29 LYS N N 15 117.342 0.00 . 1 . . . . . 71 LYS N . 50431 1
47 . 1 . 1 30 30 TRP H H 1 8.390 0.00 . 1 . . . . . 72 TRP HN . 50431 1
48 . 1 . 1 30 30 TRP N N 15 122.139 0.00 . 1 . . . . . 72 TRP N . 50431 1
49 . 1 . 1 31 31 ALA H H 1 8.879 0.00 . 1 . . . . . 73 ALA HN . 50431 1
50 . 1 . 1 31 31 ALA N N 15 122.049 0.00 . 1 . . . . . 73 ALA N . 50431 1
51 . 1 . 1 32 32 GLU H H 1 7.917 0.00 . 1 . . . . . 74 GLU HN . 50431 1
52 . 1 . 1 32 32 GLU N N 15 116.314 0.00 . 1 . . . . . 74 GLU N . 50431 1
53 . 1 . 1 33 33 ASN H H 1 7.331 0.00 . 1 . . . . . 75 ASN HN . 50431 1
54 . 1 . 1 33 33 ASN N N 15 114.785 0.00 . 1 . . . . . 75 ASN N . 50431 1
55 . 1 . 1 34 34 GLU H H 1 8.619 0.00 . 1 . . . . . 76 GLU HN . 50431 1
56 . 1 . 1 34 34 GLU N N 15 120.613 0.00 . 1 . . . . . 76 GLU N . 50431 1
57 . 1 . 1 35 35 PHE H H 1 7.533 0.00 . 1 . . . . . 77 PHE HN . 50431 1
58 . 1 . 1 35 35 PHE N N 15 112.341 0.00 . 1 . . . . . 77 PHE N . 50431 1
59 . 1 . 1 36 36 SER H H 1 7.216 0.00 . 1 . . . . . 78 SER HN . 50431 1
60 . 1 . 1 36 36 SER N N 15 113.400 0.00 . 1 . . . . . 78 SER N . 50431 1
61 . 1 . 1 37 37 LEU H H 1 7.609 0.00 . 1 . . . . . 79 LEU HN . 50431 1
62 . 1 . 1 37 37 LEU N N 15 117.341 0.00 . 1 . . . . . 79 LEU N . 50431 1
63 . 1 . 1 38 38 ARG H H 1 8.239 0.00 . 1 . . . . . 80 ARG HN . 50431 1
64 . 1 . 1 38 38 ARG N N 15 121.977 0.00 . 1 . . . . . 80 ARG N . 50431 1
65 . 1 . 1 40 40 ILE H H 1 8.390 0.00 . 1 . . . . . 82 ILE HN . 50431 1
66 . 1 . 1 40 40 ILE N N 15 121.134 0.00 . 1 . . . . . 82 ILE N . 50431 1
67 . 1 . 1 41 41 ASP H H 1 8.598 0.00 . 1 . . . . . 83 ASP HN . 50431 1
68 . 1 . 1 41 41 ASP N N 15 124.437 0.00 . 1 . . . . . 83 ASP N . 50431 1
69 . 1 . 1 43 43 ASN H H 1 8.815 0.00 . 1 . . . . . 85 ASN HN . 50431 1
70 . 1 . 1 43 43 ASN N N 15 118.964 0.00 . 1 . . . . . 85 ASN N . 50431 1
71 . 1 . 1 44 44 THR H H 1 7.830 0.00 . 1 . . . . . 86 THR HN . 50431 1
72 . 1 . 1 44 44 THR N N 15 113.345 0.00 . 1 . . . . . 86 THR N . 50431 1
73 . 1 . 1 45 45 PHE H H 1 8.081 0.00 . 1 . . . . . 87 PHE HN . 50431 1
74 . 1 . 1 45 45 PHE N N 15 119.630 0.00 . 1 . . . . . 87 PHE N . 50431 1
75 . 1 . 1 46 46 GLU H H 1 8.269 0.00 . 1 . . . . . 88 GLU HN . 50431 1
76 . 1 . 1 46 46 GLU N N 15 125.641 0.00 . 1 . . . . . 88 GLU N . 50431 1
77 . 1 . 1 47 47 MET H H 1 7.825 0.00 . 1 . . . . . 89 MET HN . 50431 1
78 . 1 . 1 47 47 MET N N 15 118.073 0.00 . 1 . . . . . 89 MET N . 50431 1
79 . 1 . 1 48 48 ASN H H 1 7.595 0.00 . 1 . . . . . 90 ASN HN . 50431 1
80 . 1 . 1 48 48 ASN N N 15 112.956 0.00 . 1 . . . . . 90 ASN N . 50431 1
81 . 1 . 1 49 49 GLY H H 1 8.365 0.00 . 1 . . . . . 91 GLY HN . 50431 1
82 . 1 . 1 49 49 GLY N N 15 104.129 0.00 . 1 . . . . . 91 GLY N . 50431 1
83 . 1 . 1 50 50 LYS H H 1 7.579 0.00 . 1 . . . . . 92 LYS HN . 50431 1
84 . 1 . 1 50 50 LYS N N 15 118.084 0.00 . 1 . . . . . 92 LYS N . 50431 1
85 . 1 . 1 51 51 ALA H H 1 7.398 0.00 . 1 . . . . . 93 ALA HN . 50431 1
86 . 1 . 1 51 51 ALA N N 15 118.443 0.00 . 1 . . . . . 93 ALA N . 50431 1
87 . 1 . 1 52 52 LEU H H 1 7.802 0.00 . 1 . . . . . 94 LEU HN . 50431 1
88 . 1 . 1 52 52 LEU N N 15 118.493 0.00 . 1 . . . . . 94 LEU N . 50431 1
89 . 1 . 1 53 53 LEU H H 1 7.289 0.00 . 1 . . . . . 95 LEU HN . 50431 1
90 . 1 . 1 53 53 LEU N N 15 113.843 0.00 . 1 . . . . . 95 LEU N . 50431 1
91 . 1 . 1 54 54 LEU H H 1 7.719 0.00 . 1 . . . . . 96 LEU HN . 50431 1
92 . 1 . 1 54 54 LEU N N 15 118.778 0.00 . 1 . . . . . 96 LEU N . 50431 1
93 . 1 . 1 55 55 LEU H H 1 6.907 0.00 . 1 . . . . . 97 LEU HN . 50431 1
94 . 1 . 1 55 55 LEU N N 15 115.509 0.00 . 1 . . . . . 97 LEU N . 50431 1
95 . 1 . 1 56 56 THR H H 1 9.456 0.00 . 1 . . . . . 98 THR HN . 50431 1
96 . 1 . 1 56 56 THR N N 15 113.308 0.00 . 1 . . . . . 98 THR N . 50431 1
97 . 1 . 1 57 57 LYS H H 1 8.566 0.00 . 1 . . . . . 99 LYS HN . 50431 1
98 . 1 . 1 57 57 LYS N N 15 122.637 0.00 . 1 . . . . . 99 LYS N . 50431 1
99 . 1 . 1 58 58 GLU H H 1 8.152 0.00 . 1 . . . . . 100 GLU HN . 50431 1
100 . 1 . 1 58 58 GLU N N 15 116.892 0.00 . 1 . . . . . 100 GLU N . 50431 1
101 . 1 . 1 59 59 ASP H H 1 7.744 0.00 . 1 . . . . . 101 ASP HN . 50431 1
102 . 1 . 1 59 59 ASP N N 15 122.162 0.00 . 1 . . . . . 101 ASP N . 50431 1
103 . 1 . 1 60 60 PHE H H 1 8.246 0.00 . 1 . . . . . 102 PHE HN . 50431 1
104 . 1 . 1 60 60 PHE N N 15 120.833 0.00 . 1 . . . . . 102 PHE N . 50431 1
105 . 1 . 1 61 61 ARG H H 1 8.496 0.00 . 1 . . . . . 103 ARG HN . 50431 1
106 . 1 . 1 61 61 ARG N N 15 123.354 0.00 . 1 . . . . . 103 ARG N . 50431 1
107 . 1 . 1 62 62 TYR H H 1 8.226 0.00 . 1 . . . . . 104 TYR HN . 50431 1
108 . 1 . 1 62 62 TYR N N 15 119.564 0.00 . 1 . . . . . 104 TYR N . 50431 1
109 . 1 . 1 63 63 ARG H H 1 7.710 0.00 . 1 . . . . . 105 ARG HN . 50431 1
110 . 1 . 1 63 63 ARG N N 15 116.953 0.00 . 1 . . . . . 105 ARG N . 50431 1
111 . 1 . 1 64 64 SER H H 1 8.288 0.00 . 1 . . . . . 106 SER HN . 50431 1
112 . 1 . 1 64 64 SER N N 15 109.905 0.00 . 1 . . . . . 106 SER N . 50431 1
113 . 1 . 1 66 66 HIS H H 1 8.377 0.00 . 1 . . . . . 108 HIS HN . 50431 1
114 . 1 . 1 66 66 HIS N N 15 111.579 0.00 . 1 . . . . . 108 HIS N . 50431 1
115 . 1 . 1 67 67 SER H H 1 7.444 0.00 . 1 . . . . . 109 SER HN . 50431 1
116 . 1 . 1 67 67 SER N N 15 112.139 0.00 . 1 . . . . . 109 SER N . 50431 1
117 . 1 . 1 68 68 GLY H H 1 9.358 0.00 . 1 . . . . . 110 GLY HN . 50431 1
118 . 1 . 1 68 68 GLY N N 15 112.331 0.00 . 1 . . . . . 110 GLY N . 50431 1
119 . 1 . 1 69 69 ASP H H 1 8.692 0.00 . 1 . . . . . 111 ASP HN . 50431 1
120 . 1 . 1 69 69 ASP N N 15 121.097 0.00 . 1 . . . . . 111 ASP N . 50431 1
121 . 1 . 1 70 70 GLU H H 1 8.485 0.00 . 1 . . . . . 112 GLU HN . 50431 1
122 . 1 . 1 70 70 GLU N N 15 119.376 0.00 . 1 . . . . . 112 GLU N . 50431 1
123 . 1 . 1 71 71 LEU H H 1 8.632 0.00 . 1 . . . . . 113 LEU HN . 50431 1
124 . 1 . 1 71 71 LEU N N 15 119.693 0.00 . 1 . . . . . 113 LEU N . 50431 1
125 . 1 . 1 72 72 TYR H H 1 8.457 0.00 . 1 . . . . . 114 TYR HN . 50431 1
126 . 1 . 1 72 72 TYR N N 15 119.805 0.00 . 1 . . . . . 114 TYR N . 50431 1
127 . 1 . 1 73 73 GLU H H 1 8.021 0.00 . 1 . . . . . 115 GLU HN . 50431 1
128 . 1 . 1 73 73 GLU N N 15 118.064 0.00 . 1 . . . . . 115 GLU N . 50431 1
129 . 1 . 1 74 74 LEU H H 1 8.485 0.00 . 1 . . . . . 116 LEU HN . 50431 1
130 . 1 . 1 74 74 LEU N N 15 122.559 0.00 . 1 . . . . . 116 LEU N . 50431 1
131 . 1 . 1 75 75 LEU H H 1 8.414 0.00 . 1 . . . . . 117 LEU HN . 50431 1
132 . 1 . 1 75 75 LEU N N 15 120.889 0.00 . 1 . . . . . 117 LEU N . 50431 1
133 . 1 . 1 76 76 GLN H H 1 7.913 0.00 . 1 . . . . . 118 GLN HN . 50431 1
134 . 1 . 1 76 76 GLN N N 15 115.034 0.00 . 1 . . . . . 118 GLN N . 50431 1
135 . 1 . 1 77 77 HIS H H 1 8.055 0.00 . 1 . . . . . 119 HIS HN . 50431 1
136 . 1 . 1 77 77 HIS N N 15 119.076 0.00 . 1 . . . . . 119 HIS N . 50431 1
137 . 1 . 1 78 78 ILE H H 1 8.235 0.00 . 1 . . . . . 120 ILE HN . 50431 1
138 . 1 . 1 78 78 ILE N N 15 120.769 0.00 . 1 . . . . . 120 ILE N . 50431 1
139 . 1 . 1 79 79 LEU H H 1 8.226 0.00 . 1 . . . . . 121 LEU HN . 50431 1
140 . 1 . 1 79 79 LEU N N 15 119.737 0.00 . 1 . . . . . 121 LEU N . 50431 1
141 . 1 . 1 80 80 LYS H H 1 7.549 0.00 . 1 . . . . . 122 LYS HN . 50431 1
142 . 1 . 1 80 80 LYS N N 15 117.095 0.00 . 1 . . . . . 122 LYS N . 50431 1
143 . 1 . 1 81 81 GLN H H 1 7.747 0.00 . 1 . . . . . 123 GLN HN . 50431 1
144 . 1 . 1 81 81 GLN N N 15 117.841 0.00 . 1 . . . . . 123 GLN N . 50431 1
145 . 1 . 1 82 82 ARG H H 1 7.929 0.00 . 1 . . . . . 124 ARG HN . 50431 1
146 . 1 . 1 82 82 ARG N N 15 120.760 0.00 . 1 . . . . . 124 ARG N . 50431 1
147 . 1 . 1 83 83 LYS H H 1 7.881 0.00 . 1 . . . . . 125 LYS HN . 50431 1
148 . 1 . 1 83 83 LYS N N 15 128.164 0.00 . 1 . . . . . 125 LYS N . 50431 1
stop_
save_