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 52756
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 1
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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
3 '2D 1H-15N HMQC' . . . 52756 1
6 '2D 1H-13C HSQC' . . . 52756 1
7 '2D 1H-13C HSQC aromatic' . . . 52756 1
10 '3D 15N-separated NOESY' . . . 52756 1
14 '3D HCCH-TOCSY' . . . 52756 1
15 '3D HNCO' . . . 52756 1
16 '3D HNCACB' . . . 52756 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 . . 52756 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 1 1 TYR HA H 1 4.264 0.02 . 1 . . . . . 1 TYR HA . 52756 1
2 . 1 . 1 1 1 TYR HB2 H 1 3.140 0.02 . 2 . . . . . 1 TYR HB2 . 52756 1
3 . 1 . 1 1 1 TYR HB3 H 1 3.088 0.02 . 2 . . . . . 1 TYR HB3 . 52756 1
4 . 1 . 1 1 1 TYR CA C 13 57.345 0.2 . 1 . . . . . 1 TYR CA . 52756 1
5 . 1 . 1 1 1 TYR CB C 13 38.952 0.2 . 1 . . . . . 1 TYR CB . 52756 1
6 . 1 . 1 2 2 GLY H H 1 8.821 0.02 . 1 . . . . . 2 GLY H . 52756 1
7 . 1 . 1 2 2 GLY HA2 H 1 3.949 0.02 . 2 . . . . . 2 GLY QA . 52756 1
8 . 1 . 1 2 2 GLY HA3 H 1 3.949 0.02 . 2 . . . . . 2 GLY QA . 52756 1
9 . 1 . 1 2 2 GLY C C 13 174.016 0.2 . 1 . . . . . 2 GLY C . 52756 1
10 . 1 . 1 2 2 GLY CA C 13 45.280 0.2 . 1 . . . . . 2 GLY CA . 52756 1
11 . 1 . 1 2 2 GLY N N 15 113.319 0.2 . 1 . . . . . 2 GLY N . 52756 1
12 . 1 . 1 3 3 GLY H H 1 7.486 0.02 . 1 . . . . . 3 GLY H . 52756 1
13 . 1 . 1 3 3 GLY HA2 H 1 3.828 0.02 . 2 . . . . . 3 GLY QA . 52756 1
14 . 1 . 1 3 3 GLY HA3 H 1 3.828 0.02 . 2 . . . . . 3 GLY QA . 52756 1
15 . 1 . 1 3 3 GLY C C 13 173.536 0.2 . 1 . . . . . 3 GLY C . 52756 1
16 . 1 . 1 3 3 GLY CA C 13 45.256 0.2 . 1 . . . . . 3 GLY CA . 52756 1
17 . 1 . 1 3 3 GLY N N 15 108.036 0.2 . 1 . . . . . 3 GLY N . 52756 1
18 . 1 . 1 4 4 PHE H H 1 8.100 0.02 . 1 . . . . . 4 PHE H . 52756 1
19 . 1 . 1 4 4 PHE HA H 1 4.615 0.02 . 1 . . . . . 4 PHE HA . 52756 1
20 . 1 . 1 4 4 PHE HB2 H 1 3.103 0.02 . 2 . . . . . 4 PHE HB2 . 52756 1
21 . 1 . 1 4 4 PHE HB3 H 1 3.027 0.02 . 2 . . . . . 4 PHE HB3 . 52756 1
22 . 1 . 1 4 4 PHE C C 13 175.535 0.2 . 1 . . . . . 4 PHE C . 52756 1
23 . 1 . 1 4 4 PHE CA C 13 57.545 0.2 . 1 . . . . . 4 PHE CA . 52756 1
24 . 1 . 1 4 4 PHE CB C 13 39.812 0.2 . 1 . . . . . 4 PHE CB . 52756 1
25 . 1 . 1 4 4 PHE N N 15 118.252 0.2 . 1 . . . . . 4 PHE N . 52756 1
26 . 1 . 1 5 5 LEU H H 1 8.024 0.02 . 1 . . . . . 5 LEU H . 52756 1
27 . 1 . 1 5 5 LEU HA H 1 4.387 0.02 . 1 . . . . . 5 LEU HA . 52756 1
28 . 1 . 1 5 5 LEU HB2 H 1 1.607 0.02 . 2 . . . . . 5 LEU HB . 52756 1
29 . 1 . 1 5 5 LEU HB3 H 1 1.607 0.02 . 2 . . . . . 5 LEU HB . 52756 1
30 . 1 . 1 5 5 LEU C C 13 176.271 0.2 . 1 . . . . . 5 LEU C . 52756 1
31 . 1 . 1 5 5 LEU CA C 13 54.789 0.2 . 1 . . . . . 5 LEU CA . 52756 1
32 . 1 . 1 5 5 LEU CB C 13 42.582 0.2 . 1 . . . . . 5 LEU CB . 52756 1
33 . 1 . 1 5 5 LEU N N 15 122.771 0.2 . 1 . . . . . 5 LEU N . 52756 1
34 . 1 . 1 6 6 ARG H H 1 8.023 0.02 . 1 . . . . . 6 ARG H . 52756 1
35 . 1 . 1 6 6 ARG HA H 1 4.317 0.02 . 1 . . . . . 6 ARG HA . 52756 1
36 . 1 . 1 6 6 ARG HB2 H 1 1.810 0.02 . 2 . . . . . 6 ARG QB . 52756 1
37 . 1 . 1 6 6 ARG HB3 H 1 1.810 0.02 . 2 . . . . . 6 ARG QB . 52756 1
38 . 1 . 1 6 6 ARG C C 13 176.285 0.2 . 1 . . . . . 6 ARG C . 52756 1
39 . 1 . 1 6 6 ARG CA C 13 55.071 0.2 . 1 . . . . . 6 ARG CA . 52756 1
40 . 1 . 1 6 6 ARG CB C 13 31.562 0.2 . 1 . . . . . 6 ARG CB . 52756 1
41 . 1 . 1 6 6 ARG N N 15 121.095 0.2 . 1 . . . . . 6 ARG N . 52756 1
42 . 1 . 1 7 7 ARG H H 1 8.512 0.02 . 1 . . . . . 7 ARG H . 52756 1
43 . 1 . 1 7 7 ARG HA H 1 4.357 0.02 . 1 . . . . . 7 ARG HA . 52756 1
44 . 1 . 1 7 7 ARG HE H 1 7.593 0.02 . 1 . . . . . 7 ARG HE . 52756 1
45 . 1 . 1 7 7 ARG C C 13 176.230 0.2 . 1 . . . . . 7 ARG C . 52756 1
46 . 1 . 1 7 7 ARG CA C 13 56.330 0.2 . 1 . . . . . 7 ARG CA . 52756 1
47 . 1 . 1 7 7 ARG CB C 13 31.305 0.2 . 1 . . . . . 7 ARG CB . 52756 1
48 . 1 . 1 7 7 ARG N N 15 121.049 0.2 . 1 . . . . . 7 ARG N . 52756 1
49 . 1 . 1 7 7 ARG NE N 15 85.150 0.2 . 1 . . . . . 7 ARG NE . 52756 1
50 . 1 . 1 8 8 ILE H H 1 9.166 0.02 . 1 . . . . . 8 ILE H . 52756 1
51 . 1 . 1 8 8 ILE HA H 1 4.135 0.02 . 1 . . . . . 8 ILE HA . 52756 1
52 . 1 . 1 8 8 ILE HB H 1 1.506 0.02 . 1 . . . . . 8 ILE HB . 52756 1
53 . 1 . 1 8 8 ILE HG12 H 1 1.506 0.02 . 1 . . . . . 8 ILE HG12 . 52756 1
54 . 1 . 1 8 8 ILE HG13 H 1 1.036 0.02 . 1 . . . . . 8 ILE HG13 . 52756 1
55 . 1 . 1 8 8 ILE HG21 H 1 0.738 0.02 . 1 . . . . . 8 ILE HG2 . 52756 1
56 . 1 . 1 8 8 ILE HG22 H 1 0.738 0.02 . 1 . . . . . 8 ILE HG2 . 52756 1
57 . 1 . 1 8 8 ILE HG23 H 1 0.738 0.02 . 1 . . . . . 8 ILE HG2 . 52756 1
58 . 1 . 1 8 8 ILE HD11 H 1 0.357 0.02 . 1 . . . . . 8 ILE HD1 . 52756 1
59 . 1 . 1 8 8 ILE HD12 H 1 0.357 0.02 . 1 . . . . . 8 ILE HD1 . 52756 1
60 . 1 . 1 8 8 ILE HD13 H 1 0.357 0.02 . 1 . . . . . 8 ILE HD1 . 52756 1
61 . 1 . 1 8 8 ILE C C 13 176.539 0.2 . 1 . . . . . 8 ILE C . 52756 1
62 . 1 . 1 8 8 ILE CA C 13 61.123 0.2 . 1 . . . . . 8 ILE CA . 52756 1
63 . 1 . 1 8 8 ILE CB C 13 38.355 0.2 . 1 . . . . . 8 ILE CB . 52756 1
64 . 1 . 1 8 8 ILE CG1 C 13 27.630 0.2 . 1 . . . . . 8 ILE CG1 . 52756 1
65 . 1 . 1 8 8 ILE CG2 C 13 17.708 0.2 . 1 . . . . . 8 ILE CG2 . 52756 1
66 . 1 . 1 8 8 ILE CD1 C 13 12.853 0.2 . 1 . . . . . 8 ILE CD1 . 52756 1
67 . 1 . 1 8 8 ILE N N 15 121.913 0.2 . 1 . . . . . 8 ILE N . 52756 1
68 . 1 . 1 9 9 ARG H H 1 9.135 0.02 . 1 . . . . . 9 ARG H . 52756 1
69 . 1 . 1 9 9 ARG HA H 1 4.620 0.02 . 1 . . . . . 9 ARG HA . 52756 1
70 . 1 . 1 9 9 ARG HE H 1 8.128 0.02 . 1 . . . . . 9 ARG HE . 52756 1
71 . 1 . 1 9 9 ARG CA C 13 52.563 0.2 . 1 . . . . . 9 ARG CA . 52756 1
72 . 1 . 1 9 9 ARG CB C 13 30.163 0.2 . 1 . . . . . 9 ARG CB . 52756 1
73 . 1 . 1 9 9 ARG N N 15 129.371 0.2 . 1 . . . . . 9 ARG N . 52756 1
74 . 1 . 1 9 9 ARG NE N 15 87.340 0.2 . 1 . . . . . 9 ARG NE . 52756 1
75 . 1 . 1 10 10 PRO HA H 1 4.291 0.02 . 1 . . . . . 10 PRO HA . 52756 1
76 . 1 . 1 10 10 PRO HB2 H 1 1.944 0.02 . 2 . . . . . 10 PRO QB . 52756 1
77 . 1 . 1 10 10 PRO HB3 H 1 1.944 0.02 . 2 . . . . . 10 PRO QB . 52756 1
78 . 1 . 1 10 10 PRO HG2 H 1 2.314 0.02 . 2 . . . . . 10 PRO HG2 . 52756 1
79 . 1 . 1 10 10 PRO HG3 H 1 1.852 0.02 . 2 . . . . . 10 PRO HG3 . 52756 1
80 . 1 . 1 10 10 PRO HD2 H 1 3.940 0.02 . 2 . . . . . 10 PRO HD2 . 52756 1
81 . 1 . 1 10 10 PRO HD3 H 1 3.497 0.02 . 2 . . . . . 10 PRO HD3 . 52756 1
82 . 1 . 1 10 10 PRO C C 13 174.030 0.2 . 1 . . . . . 10 PRO C . 52756 1
83 . 1 . 1 10 10 PRO CA C 13 63.207 0.2 . 1 . . . . . 10 PRO CA . 52756 1
84 . 1 . 1 10 10 PRO CB C 13 31.610 0.2 . 1 . . . . . 10 PRO CB . 52756 1
85 . 1 . 1 10 10 PRO CG C 13 27.611 0.2 . 1 . . . . . 10 PRO CG . 52756 1
86 . 1 . 1 10 10 PRO CD C 13 49.700 0.2 . 1 . . . . . 10 PRO CD . 52756 1
87 . 1 . 1 11 11 LYS H H 1 7.764 0.02 . 1 . . . . . 11 LYS H . 52756 1
88 . 1 . 1 11 11 LYS HA H 1 4.514 0.02 . 1 . . . . . 11 LYS HA . 52756 1
89 . 1 . 1 11 11 LYS HB2 H 1 1.834 0.02 . 2 . . . . . 11 LYS QB . 52756 1
90 . 1 . 1 11 11 LYS HB3 H 1 1.834 0.02 . 2 . . . . . 11 LYS QB . 52756 1
91 . 1 . 1 11 11 LYS HZ1 H 1 6.829 0.02 . 1 . . . . . 11 LYS QZ . 52756 1
92 . 1 . 1 11 11 LYS HZ2 H 1 6.829 0.02 . 1 . . . . . 11 LYS QZ . 52756 1
93 . 1 . 1 11 11 LYS HZ3 H 1 6.829 0.02 . 1 . . . . . 11 LYS QZ . 52756 1
94 . 1 . 1 11 11 LYS C C 13 175.287 0.2 . 1 . . . . . 11 LYS C . 52756 1
95 . 1 . 1 11 11 LYS CA C 13 54.789 0.2 . 1 . . . . . 11 LYS CA . 52756 1
96 . 1 . 1 11 11 LYS CB C 13 34.772 0.2 . 1 . . . . . 11 LYS CB . 52756 1
97 . 1 . 1 11 11 LYS N N 15 120.056 0.2 . 1 . . . . . 11 LYS N . 52756 1
98 . 1 . 1 11 11 LYS NZ N 15 72.840 0.2 . 1 . . . . . 11 LYS NZ . 52756 1
99 . 1 . 1 12 12 LEU H H 1 9.261 0.02 . 1 . . . . . 12 LEU H . 52756 1
100 . 1 . 1 12 12 LEU HA H 1 5.477 0.02 . 1 . . . . . 12 LEU HA . 52756 1
101 . 1 . 1 12 12 LEU HB2 H 1 2.009 0.02 . 2 . . . . . 12 LEU HB2 . 52756 1
102 . 1 . 1 12 12 LEU HB3 H 1 1.677 0.02 . 2 . . . . . 12 LEU HB3 . 52756 1
103 . 1 . 1 12 12 LEU C C 13 177.005 0.2 . 1 . . . . . 12 LEU C . 52756 1
104 . 1 . 1 12 12 LEU CA C 13 53.364 0.2 . 1 . . . . . 12 LEU CA . 52756 1
105 . 1 . 1 12 12 LEU CB C 13 46.804 0.2 . 1 . . . . . 12 LEU CB . 52756 1
106 . 1 . 1 12 12 LEU N N 15 118.714 0.2 . 1 . . . . . 12 LEU N . 52756 1
107 . 1 . 1 13 13 LYS H H 1 9.525 0.02 . 1 . . . . . 13 LYS H . 52756 1
108 . 1 . 1 13 13 LYS HA H 1 4.633 0.02 . 1 . . . . . 13 LYS HA . 52756 1
109 . 1 . 1 13 13 LYS HB2 H 1 1.680 0.02 . 2 . . . . . 13 LYS HB2 . 52756 1
110 . 1 . 1 13 13 LYS HB3 H 1 1.575 0.02 . 2 . . . . . 13 LYS HB3 . 52756 1
111 . 1 . 1 13 13 LYS C C 13 174.605 0.2 . 1 . . . . . 13 LYS C . 52756 1
112 . 1 . 1 13 13 LYS CA C 13 54.986 0.2 . 1 . . . . . 13 LYS CA . 52756 1
113 . 1 . 1 13 13 LYS CB C 13 35.579 0.13 . 1 . . . . . 13 LYS CB . 52756 1
114 . 1 . 1 13 13 LYS N N 15 120.765 0.2 . 1 . . . . . 13 LYS N . 52756 1
115 . 1 . 1 14 14 TRP H H 1 7.843 0.02 . 1 . . . . . 14 TRP H . 52756 1
116 . 1 . 1 14 14 TRP HA H 1 4.909 0.02 . 1 . . . . . 14 TRP HA . 52756 1
117 . 1 . 1 14 14 TRP HB2 H 1 3.197 0.02 . 2 . . . . . 14 TRP HB2 . 52756 1
118 . 1 . 1 14 14 TRP HB3 H 1 2.504 0.02 . 2 . . . . . 14 TRP HB3 . 52756 1
119 . 1 . 1 14 14 TRP HE1 H 1 9.864 0.02 . 1 . . . . . 14 TRP HE1 . 52756 1
120 . 1 . 1 14 14 TRP C C 13 174.643 0.2 . 1 . . . . . 14 TRP C . 52756 1
121 . 1 . 1 14 14 TRP CA C 13 56.759 0.2 . 1 . . . . . 14 TRP CA . 52756 1
122 . 1 . 1 14 14 TRP CB C 13 31.057 0.2 . 1 . . . . . 14 TRP CB . 52756 1
123 . 1 . 1 14 14 TRP N N 15 119.789 0.2 . 1 . . . . . 14 TRP N . 52756 1
124 . 1 . 1 14 14 TRP NE1 N 15 129.309 0.2 . 1 . . . . . 14 TRP NE1 . 52756 1
125 . 1 . 1 15 15 ASP H H 1 8.549 0.02 . 1 . . . . . 15 ASP H . 52756 1
126 . 1 . 1 15 15 ASP HA H 1 4.516 0.02 . 1 . . . . . 15 ASP HA . 52756 1
127 . 1 . 1 15 15 ASP HB2 H 1 2.644 0.02 . 2 . . . . . 15 ASP HB2 . 52756 1
128 . 1 . 1 15 15 ASP HB3 H 1 2.533 0.02 . 2 . . . . . 15 ASP HB3 . 52756 1
129 . 1 . 1 15 15 ASP C C 13 175.856 0.2 . 1 . . . . . 15 ASP C . 52756 1
130 . 1 . 1 15 15 ASP CA C 13 54.496 0.2 . 1 . . . . . 15 ASP CA . 52756 1
131 . 1 . 1 15 15 ASP CB C 13 41.499 0.06 . 1 . . . . . 15 ASP CB . 52756 1
132 . 1 . 1 15 15 ASP N N 15 121.044 0.2 . 1 . . . . . 15 ASP N . 52756 1
133 . 1 . 1 16 16 ASN HA H 1 4.641 0.02 . 1 . . . . . 16 ASN HA . 52756 1
134 . 1 . 1 16 16 ASN HB2 H 1 2.757 0.02 . 2 . . . . . 16 ASN HB2 . 52756 1
135 . 1 . 1 16 16 ASN HB3 H 1 2.708 0.02 . 2 . . . . . 16 ASN HB3 . 52756 1
136 . 1 . 1 16 16 ASN HD21 H 1 7.545 0.02 . 2 . . . . . 16 ASN HD21 . 52756 1
137 . 1 . 1 16 16 ASN HD22 H 1 6.815 0.02 . 2 . . . . . 16 ASN HD22 . 52756 1
138 . 1 . 1 16 16 ASN C C 13 174.316 0.2 . 1 . . . . . 16 ASN C . 52756 1
139 . 1 . 1 16 16 ASN CA C 13 53.448 0.2 . 1 . . . . . 16 ASN CA . 52756 1
140 . 1 . 1 16 16 ASN CB C 13 38.813 0.2 . 1 . . . . . 16 ASN CB . 52756 1
141 . 1 . 1 16 16 ASN ND2 N 15 112.775 0.2 . 1 . . . . . 16 ASN ND2 . 52756 1
142 . 1 . 1 17 17 GLN H H 1 7.794 0.02 . 1 . . . . . 17 GLN H . 52756 1
143 . 1 . 1 17 17 GLN HA H 1 3.976 0.02 . 1 . . . . . 17 GLN HA . 52756 1
144 . 1 . 1 17 17 GLN HB2 H 1 1.807 0.02 . 2 . . . . . 17 GLN HB2 . 52756 1
145 . 1 . 1 17 17 GLN HB3 H 1 1.650 0.02 . 2 . . . . . 17 GLN HB3 . 52756 1
146 . 1 . 1 17 17 GLN HG2 H 1 2.038 0.02 . 2 . . . . . 17 GLN QG . 52756 1
147 . 1 . 1 17 17 GLN HG3 H 1 2.038 0.02 . 2 . . . . . 17 GLN QG . 52756 1
148 . 1 . 1 17 17 GLN HE21 H 1 7.328 0.02 . 2 . . . . . 17 GLN HE21 . 52756 1
149 . 1 . 1 17 17 GLN HE22 H 1 6.625 0.02 . 2 . . . . . 17 GLN HE22 . 52756 1
150 . 1 . 1 17 17 GLN CA C 13 57.811 0.2 . 1 . . . . . 17 GLN CA . 52756 1
151 . 1 . 1 17 17 GLN CB C 13 30.206 0.2 . 1 . . . . . 17 GLN CB . 52756 1
152 . 1 . 1 17 17 GLN CG C 13 34.042 0.2 . 1 . . . . . 17 GLN CG . 52756 1
153 . 1 . 1 17 17 GLN N N 15 125.244 0.2 . 1 . . . . . 17 GLN N . 52756 1
154 . 1 . 1 17 17 GLN NE2 N 15 111.555 0.2 . 1 . . . . . 17 GLN NE2 . 52756 1
stop_
save_