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 52579
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ShiftList_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-1H COSY' . . . 52579 1
2 '2D 1H-1H TOCSY' . . . 52579 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 . . 52579 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 2 2 GLU HA H 1 4.349487917 0 . . . . . . . 2 GLU HA . 52579 1
2 . 1 . 1 2 2 GLU HG2 H 1 2.348255605 0 . . . . . . . 2 GLU HG2 . 52579 1
3 . 1 . 1 2 2 GLU HG3 H 1 2.348255605 0 . . . . . . . 2 GLU HG3 . 52579 1
4 . 1 . 1 3 3 GLU H H 1 8.836746548 0 . . . . . . . 3 GLU H . 52579 1
5 . 1 . 1 3 3 GLU HA H 1 4.153080935 0.001566000547 . . . . . . . 3 GLU HA . 52579 1
6 . 1 . 1 3 3 GLU HB2 H 1 2.054559956 0 . . . . . . . 3 GLU HB2 . 52579 1
7 . 1 . 1 3 3 GLU HB3 H 1 2.054559956 0 . . . . . . . 3 GLU HB3 . 52579 1
8 . 1 . 1 3 3 GLU HG2 H 1 2.310555692 0 . . . . . . . 3 GLU HG2 . 52579 1
9 . 1 . 1 3 3 GLU HG3 H 1 2.310555692 0 . . . . . . . 3 GLU HG3 . 52579 1
10 . 1 . 1 4 4 ALA H H 1 8.481273826 0.0001519451818 . . . . . . . 4 ALA H . 52579 1
11 . 1 . 1 4 4 ALA HA H 1 4.136760706 0.001036304322 . . . . . . . 4 ALA HA . 52579 1
12 . 1 . 1 4 4 ALA HB1 H 1 1.437986902 0.002424008093 . . . . . . . 4 ALA HB# . 52579 1
13 . 1 . 1 4 4 ALA HB2 H 1 1.437986902 0.002424008093 . . . . . . . 4 ALA HB# . 52579 1
14 . 1 . 1 4 4 ALA HB3 H 1 1.437986902 0.002424008093 . . . . . . . 4 ALA HB# . 52579 1
15 . 1 . 1 5 5 VAL H H 1 7.538383265 0 . . . . . . . 5 VAL H . 52579 1
16 . 1 . 1 5 5 VAL HA H 1 3.928300582 0.0004050679912 . . . . . . . 5 VAL HA . 52579 1
17 . 1 . 1 5 5 VAL HB H 1 2.177250479 0 . . . . . . . 5 VAL HB . 52579 1
18 . 1 . 1 5 5 VAL HG11 H 1 1.00740719 0 . . . . . . . 5 VAL HG1# . 52579 1
19 . 1 . 1 5 5 VAL HG12 H 1 1.00740719 0 . . . . . . . 5 VAL HG1# . 52579 1
20 . 1 . 1 5 5 VAL HG13 H 1 1.00740719 0 . . . . . . . 5 VAL HG1# . 52579 1
21 . 1 . 1 5 5 VAL HG21 H 1 1.025667121 0 . . . . . . . 5 VAL HG2# . 52579 1
22 . 1 . 1 5 5 VAL HG22 H 1 1.025667121 0 . . . . . . . 5 VAL HG2# . 52579 1
23 . 1 . 1 5 5 VAL HG23 H 1 1.025667121 0 . . . . . . . 5 VAL HG2# . 52579 1
24 . 1 . 1 6 6 ARG H H 1 7.92653529 0 . . . . . . . 6 ARG H . 52579 1
25 . 1 . 1 6 6 ARG HA H 1 4.104840585 0.0008210826802 . . . . . . . 6 ARG HA . 52579 1
26 . 1 . 1 6 6 ARG HB2 H 1 1.900767291 0 . . . . . . . 6 ARG HB2 . 52579 1
27 . 1 . 1 6 6 ARG HB3 H 1 1.900767291 0 . . . . . . . 6 ARG HB3 . 52579 1
28 . 1 . 1 6 6 ARG HG2 H 1 1.57076162 0 . . . . . . . 6 ARG HG2 . 52579 1
29 . 1 . 1 6 6 ARG HG3 H 1 1.705881657 0 . . . . . . . 6 ARG HG3 . 52579 1
30 . 1 . 1 6 6 ARG HD2 H 1 3.595428742 0 . . . . . . . 6 ARG HD2 . 52579 1
31 . 1 . 1 6 6 ARG HD3 H 1 3.627640039 0 . . . . . . . 6 ARG HD3 . 52579 1
32 . 1 . 1 7 7 LEU H H 1 8.289449473 0.001207589968 . . . . . . . 7 LEU H . 52579 1
33 . 1 . 1 7 7 LEU HA H 1 4.139834178 0.002795171331 . . . . . . . 7 LEU HA . 52579 1
34 . 1 . 1 7 7 LEU HB2 H 1 1.431692928 0 . . . . . . . 7 LEU HB2 . 52579 1
35 . 1 . 1 7 7 LEU HB3 H 1 1.805986239 0 . . . . . . . 7 LEU HB3 . 52579 1
36 . 1 . 1 7 7 LEU HG H 1 1.735195719 0 . . . . . . . 7 LEU HG . 52579 1
37 . 1 . 1 7 7 LEU HD11 H 1 0.8731879573 0 . . . . . . . 7 LEU HD1# . 52579 1
38 . 1 . 1 7 7 LEU HD12 H 1 0.8731879573 0 . . . . . . . 7 LEU HD1# . 52579 1
39 . 1 . 1 7 7 LEU HD13 H 1 0.8731879573 0 . . . . . . . 7 LEU HD1# . 52579 1
40 . 1 . 1 7 7 LEU HD21 H 1 0.9117184357 0 . . . . . . . 7 LEU HD2# . 52579 1
41 . 1 . 1 7 7 LEU HD22 H 1 0.9117184357 0 . . . . . . . 7 LEU HD2# . 52579 1
42 . 1 . 1 7 7 LEU HD23 H 1 0.9117184357 0 . . . . . . . 7 LEU HD2# . 52579 1
43 . 1 . 1 8 8 TYR H H 1 8.067951312 0.0005408886735 . . . . . . . 8 TYR H . 52579 1
44 . 1 . 1 8 8 TYR HA H 1 4.262687567 0.0008150802647 . . . . . . . 8 TYR HA . 52579 1
45 . 1 . 1 8 8 TYR HB2 H 1 3.16826891 0.0004704327656 . . . . . . . 8 TYR HB2 . 52579 1
46 . 1 . 1 8 8 TYR HB3 H 1 3.21671795 0.0001200015889 . . . . . . . 8 TYR HB3 . 52579 1
47 . 1 . 1 8 8 TYR HD1 H 1 7.068338576 0 . . . . . . . 8 TYR HD# . 52579 1
48 . 1 . 1 8 8 TYR HD2 H 1 7.068338576 0 . . . . . . . 8 TYR HD# . 52579 1
49 . 1 . 1 8 8 TYR HE1 H 1 6.841672758 0 . . . . . . . 8 TYR HE# . 52579 1
50 . 1 . 1 8 8 TYR HE2 H 1 6.841672758 0 . . . . . . . 8 TYR HE# . 52579 1
51 . 1 . 1 9 9 ILE H H 1 8.285934852 0.0003771162276 . . . . . . . 9 ILE H . 52579 1
52 . 1 . 1 9 9 ILE HA H 1 3.776896838 0.0006983612054 . . . . . . . 9 ILE HA . 52579 1
53 . 1 . 1 9 9 ILE HB H 1 2.010085334 0 . . . . . . . 9 ILE HB . 52579 1
54 . 1 . 1 9 9 ILE HG12 H 1 1.37258606 0 . . . . . . . 9 ILE HG12 . 52579 1
55 . 1 . 1 9 9 ILE HG13 H 1 1.806317915 0 . . . . . . . 9 ILE HG13 . 52579 1
56 . 1 . 1 9 9 ILE HG21 H 1 0.9167180282 0.00567086289 . . . . . . . 9 ILE HG2# . 52579 1
57 . 1 . 1 9 9 ILE HG22 H 1 0.9167180282 0.00567086289 . . . . . . . 9 ILE HG2# . 52579 1
58 . 1 . 1 9 9 ILE HG23 H 1 0.9167180282 0.00567086289 . . . . . . . 9 ILE HG2# . 52579 1
59 . 1 . 1 9 9 ILE HD11 H 1 0.8917046412 0 . . . . . . . 9 ILE HD1# . 52579 1
60 . 1 . 1 9 9 ILE HD12 H 1 0.8917046412 0 . . . . . . . 9 ILE HD1# . 52579 1
61 . 1 . 1 9 9 ILE HD13 H 1 0.8917046412 0 . . . . . . . 9 ILE HD1# . 52579 1
62 . 1 . 1 10 10 GLN H H 1 7.977087541 0 . . . . . . . 10 GLN H . 52579 1
63 . 1 . 1 10 10 GLN HA H 1 4.050076581 0.0005492546315 . . . . . . . 10 GLN HA . 52579 1
64 . 1 . 1 10 10 GLN HB2 H 1 2.142145833 0 . . . . . . . 10 GLN HB2 . 52579 1
65 . 1 . 1 10 10 GLN HB3 H 1 2.142145833 0 . . . . . . . 10 GLN HB3 . 52579 1
66 . 1 . 1 10 10 GLN HG2 H 1 2.36742458 0 . . . . . . . 10 GLN HG2 . 52579 1
67 . 1 . 1 10 10 GLN HG3 H 1 2.415094486 0 . . . . . . . 10 GLN HG3 . 52579 1
68 . 1 . 1 10 10 GLN HE21 H 1 6.844606872 0 . . . . . . . 10 GLN HE21 . 52579 1
69 . 1 . 1 10 10 GLN HE22 H 1 7.406971357 0 . . . . . . . 10 GLN HE22 . 52579 1
70 . 1 . 1 11 11 TRP H H 1 7.997553783 0.003026199091 . . . . . . . 11 TRP H . 52579 1
71 . 1 . 1 11 11 TRP HA H 1 4.340337 0.001530927313 . . . . . . . 11 TRP HA . 52579 1
72 . 1 . 1 11 11 TRP HB2 H 1 3.224693603 0.002415062878 . . . . . . . 11 TRP HB2 . 52579 1
73 . 1 . 1 11 11 TRP HB3 H 1 3.546987998 0.005718720977 . . . . . . . 11 TRP HB3 . 52579 1
74 . 1 . 1 12 12 LEU H H 1 8.359823927 0 . . . . . . . 12 LEU H . 52579 1
75 . 1 . 1 12 12 LEU HA H 1 3.545347865 0.001560413719 . . . . . . . 12 LEU HA . 52579 1
76 . 1 . 1 12 12 LEU HB2 H 1 1.434605459 0 . . . . . . . 12 LEU HB2 . 52579 1
77 . 1 . 1 12 12 LEU HB3 H 1 1.822617435 0 . . . . . . . 12 LEU HB3 . 52579 1
78 . 1 . 1 12 12 LEU HG H 1 1.571092084 0 . . . . . . . 12 LEU HG . 52579 1
79 . 1 . 1 12 12 LEU HD11 H 1 0.8188137729 0 . . . . . . . 12 LEU HD1# . 52579 1
80 . 1 . 1 12 12 LEU HD12 H 1 0.8188137729 0 . . . . . . . 12 LEU HD1# . 52579 1
81 . 1 . 1 12 12 LEU HD13 H 1 0.8188137729 0 . . . . . . . 12 LEU HD1# . 52579 1
82 . 1 . 1 12 12 LEU HD21 H 1 0.8915438668 0 . . . . . . . 12 LEU HD2# . 52579 1
83 . 1 . 1 12 12 LEU HD22 H 1 0.8915438668 0 . . . . . . . 12 LEU HD2# . 52579 1
84 . 1 . 1 12 12 LEU HD23 H 1 0.8915438668 0 . . . . . . . 12 LEU HD2# . 52579 1
85 . 1 . 1 13 13 LYS H H 1 8.229776681 0 . . . . . . . 13 LYS H . 52579 1
86 . 1 . 1 13 13 LYS HA H 1 4.054891596 0.002035192191 . . . . . . . 13 LYS HA . 52579 1
87 . 1 . 1 13 13 LYS HB2 H 1 1.9063585 0 . . . . . . . 13 LYS HB2 . 52579 1
88 . 1 . 1 13 13 LYS HB3 H 1 1.9063585 0 . . . . . . . 13 LYS HB3 . 52579 1
89 . 1 . 1 13 13 LYS HG2 H 1 1.440708823 0 . . . . . . . 13 LYS HG2 . 52579 1
90 . 1 . 1 13 13 LYS HG3 H 1 1.440708823 0 . . . . . . . 13 LYS HG3 . 52579 1
91 . 1 . 1 13 13 LYS HD2 H 1 1.656113697 0 . . . . . . . 13 LYS HD2 . 52579 1
92 . 1 . 1 13 13 LYS HD3 H 1 1.656113697 0 . . . . . . . 13 LYS HD3 . 52579 1
93 . 1 . 1 13 13 LYS HE2 H 1 2.95640211 0.002719826303 . . . . . . . 13 LYS HE2 . 52579 1
94 . 1 . 1 13 13 LYS HE3 H 1 2.95640211 0.002719826303 . . . . . . . 13 LYS HE3 . 52579 1
95 . 1 . 1 14 14 GLN H H 1 7.682796119 0.0007431835244 . . . . . . . 14 GLN H . 52579 1
96 . 1 . 1 14 14 GLN HA H 1 4.304648386 0 . . . . . . . 14 GLN HA . 52579 1
97 . 1 . 1 14 14 GLN HB2 H 1 2.089795114 0 . . . . . . . 14 GLN HB2 . 52579 1
98 . 1 . 1 14 14 GLN HB3 H 1 2.184589674 0 . . . . . . . 14 GLN HB3 . 52579 1
99 . 1 . 1 14 14 GLN HG2 H 1 2.413903077 0 . . . . . . . 14 GLN HG2 . 52579 1
100 . 1 . 1 14 14 GLN HG3 H 1 2.510982676 0 . . . . . . . 14 GLN HG3 . 52579 1
101 . 1 . 1 14 14 GLN HE21 H 1 6.745823049 0 . . . . . . . 14 GLN HE21 . 52579 1
102 . 1 . 1 14 14 GLN HE22 H 1 7.339536667 0 . . . . . . . 14 GLN HE22 . 52579 1
103 . 1 . 1 15 15 GLY H H 1 7.695031312 0.001900471258 . . . . . . . 15 GLY H . 52579 1
104 . 1 . 1 15 15 GLY HA2 H 1 3.620706958 0 . . . . . . . 15 GLY HA2 . 52579 1
105 . 1 . 1 15 15 GLY HA3 H 1 4.099288463 0 . . . . . . . 15 GLY HA3 . 52579 1
106 . 1 . 1 16 16 GLY H H 1 8.016705355 0.001561658241 . . . . . . . 16 GLY H . 52579 1
107 . 1 . 1 16 16 GLY HA2 H 1 2.024251671 0 . . . . . . . 16 GLY HA2 . 52579 1
108 . 1 . 1 16 16 GLY HA3 H 1 3.273614241 0 . . . . . . . 16 GLY HA3 . 52579 1
109 . 1 . 1 17 17 PRO HA H 1 4.53124274 0.001991320734 . . . . . . . 17 PRO HA . 52579 1
110 . 1 . 1 17 17 PRO HB2 H 1 2.023069585 0.002097701572 . . . . . . . 17 PRO HB2 . 52579 1
111 . 1 . 1 17 17 PRO HB3 H 1 2.429723301 0.000411516909 . . . . . . . 17 PRO HB3 . 52579 1
112 . 1 . 1 17 17 PRO HG2 H 1 2.085012352 0.002305507289 . . . . . . . 17 PRO HG2 . 52579 1
113 . 1 . 1 17 17 PRO HG3 H 1 2.085012352 0.002305507289 . . . . . . . 17 PRO HG3 . 52579 1
114 . 1 . 1 17 17 PRO HD2 H 1 3.332084395 0.001732897619 . . . . . . . 17 PRO HD2 . 52579 1
115 . 1 . 1 17 17 PRO HD3 H 1 3.693617335 0.002891321598 . . . . . . . 17 PRO HD3 . 52579 1
116 . 1 . 1 18 18 SER HA H 1 4.447898634 0 . . . . . . . 18 SER HA . 52579 1
117 . 1 . 1 18 18 SER HB2 H 1 3.909003756 0 . . . . . . . 18 SER HB2 . 52579 1
118 . 1 . 1 18 18 SER HB3 H 1 3.909003756 0 . . . . . . . 18 SER HB3 . 52579 1
119 . 1 . 1 19 19 SER HA H 1 4.308731401 0 . . . . . . . 19 SER HA . 52579 1
120 . 1 . 1 19 19 SER HB2 H 1 3.69195427 0.001565719619 . . . . . . . 19 SER HB2 . 52579 1
121 . 1 . 1 19 19 SER HB3 H 1 3.913387197 0 . . . . . . . 19 SER HB3 . 52579 1
122 . 1 . 1 20 20 GLY H H 1 8.03778657 0.0001173253201 . . . . . . . 20 GLY H . 52579 1
123 . 1 . 1 20 20 GLY HA2 H 1 3.870267241 0 . . . . . . . 20 GLY HA2 . 52579 1
124 . 1 . 1 20 20 GLY HA3 H 1 4.14071986 0 . . . . . . . 20 GLY HA3 . 52579 1
125 . 1 . 1 21 21 ARG H H 1 7.966906207 0 . . . . . . . 21 ARG H . 52579 1
126 . 1 . 1 21 21 ARG HA H 1 4.787083016 0.002117906822 . . . . . . . 21 ARG HA . 52579 1
127 . 1 . 1 21 21 ARG HB2 H 1 1.760889904 0 . . . . . . . 21 ARG HB2 . 52579 1
128 . 1 . 1 21 21 ARG HB3 H 1 1.914622731 0 . . . . . . . 21 ARG HB3 . 52579 1
129 . 1 . 1 21 21 ARG HG2 H 1 1.675482777 0 . . . . . . . 21 ARG HG2 . 52579 1
130 . 1 . 1 21 21 ARG HG3 H 1 1.675482777 0 . . . . . . . 21 ARG HG3 . 52579 1
131 . 1 . 1 21 21 ARG HD2 H 1 3.223846277 0 . . . . . . . 21 ARG HD2 . 52579 1
132 . 1 . 1 21 21 ARG HD3 H 1 3.223846277 0 . . . . . . . 21 ARG HD3 . 52579 1
133 . 1 . 1 22 22 PRO HA H 1 4.664104322 0 . . . . . . . 22 PRO HA . 52579 1
134 . 1 . 1 22 22 PRO HB2 H 1 1.994720919 0.0004723110099 . . . . . . . 22 PRO HB2 . 52579 1
135 . 1 . 1 22 22 PRO HB3 H 1 1.994720919 0.0004723110099 . . . . . . . 22 PRO HB3 . 52579 1
136 . 1 . 1 22 22 PRO HG2 H 1 1.825091327 0.001387997149 . . . . . . . 22 PRO HG2 . 52579 1
137 . 1 . 1 22 22 PRO HG3 H 1 2.28046908 0 . . . . . . . 22 PRO HG3 . 52579 1
138 . 1 . 1 22 22 PRO HD2 H 1 3.626445005 0.0004452990868 . . . . . . . 22 PRO HD2 . 52579 1
139 . 1 . 1 22 22 PRO HD3 H 1 3.830168487 0.0007712806499 . . . . . . . 22 PRO HD3 . 52579 1
140 . 1 . 1 24 24 PRO HB2 H 1 1.96824944 0.00129079062 . . . . . . . 24 PRO HB2 . 52579 1
141 . 1 . 1 24 24 PRO HB3 H 1 2.220489678 0.004943242788 . . . . . . . 24 PRO HB3 . 52579 1
142 . 1 . 1 24 24 PRO HG2 H 1 1.879830282 0.0006453953098 . . . . . . . 24 PRO HG2 . 52579 1
143 . 1 . 1 24 24 PRO HG3 H 1 1.879830282 0.0006453953098 . . . . . . . 24 PRO HG3 . 52579 1
144 . 1 . 1 24 24 PRO HD2 H 1 3.186835798 0.00174287703 . . . . . . . 24 PRO HD2 . 52579 1
145 . 1 . 1 24 24 PRO HD3 H 1 3.288989862 0.0004769355255 . . . . . . . 24 PRO HD3 . 52579 1
146 . 1 . 1 25 25 SER H H 1 7.674565434 0 . . . . . . . 25 SER H . 52579 1
147 . 1 . 1 25 25 SER HA H 1 4.178365747 0 . . . . . . . 25 SER HA . 52579 1
148 . 1 . 1 25 25 SER HB2 H 1 3.791740493 0 . . . . . . . 25 SER HB2 . 52579 1
149 . 1 . 1 25 25 SER HB3 H 1 3.791740493 0 . . . . . . . 25 SER HB3 . 52579 1
stop_
save_