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 51594
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name P3-7
_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 TOCSY' . . . 51594 1
2 '2D 1H-1H NOESY' . . . 51594 1
3 '2D 1H-13C HSQC' . . . 51594 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 . . 51594 1
2 $software_2 . . 51594 1
3 $software_3 . . 51594 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 PRO HA H 1 4.447 0.000 . 1 . . . . . 3 PRO HA . 51594 1
2 . 1 . 1 3 3 PRO CA C 13 63.456 0.000 . 1 . . . . . 3 PRO CA . 51594 1
3 . 1 . 1 4 4 GLY H H 1 8.703 0.001 . 1 . . . . . 4 GLY H . 51594 1
4 . 1 . 1 4 4 GLY HA2 H 1 3.931 0.000 . 2 . . . . . 4 GLY HA2 . 51594 1
5 . 1 . 1 4 4 GLY HA3 H 1 3.984 0.001 . 2 . . . . . 4 GLY HA3 . 51594 1
6 . 1 . 1 5 5 ALA H H 1 8.327 0.002 . 1 . . . . . 5 ALA H . 51594 1
7 . 1 . 1 5 5 ALA HA H 1 4.315 0.000 . 1 . . . . . 5 ALA HA . 51594 1
8 . 1 . 1 5 5 ALA HB1 H 1 1.409 0.000 . 1 . . . . . 5 ALA HB1 . 51594 1
9 . 1 . 1 5 5 ALA HB2 H 1 1.409 0.000 . 1 . . . . . 5 ALA HB2 . 51594 1
10 . 1 . 1 5 5 ALA HB3 H 1 1.409 0.000 . 1 . . . . . 5 ALA HB3 . 51594 1
11 . 1 . 1 5 5 ALA CA C 13 52.894 0.000 . 1 . . . . . 5 ALA CA . 51594 1
12 . 1 . 1 5 5 ALA N N 15 124.165 0.000 . 1 . . . . . 5 ALA N . 51594 1
13 . 1 . 1 6 6 SER H H 1 8.558 0.000 . 1 . . . . . 6 SER H . 51594 1
14 . 1 . 1 6 6 SER HA H 1 4.411 0.001 . 1 . . . . . 6 SER HA . 51594 1
15 . 1 . 1 6 6 SER HB2 H 1 3.994 0.000 . 2 . . . . . 6 SER HB2 . 51594 1
16 . 1 . 1 6 6 SER HB3 H 1 3.921 0.000 . 2 . . . . . 6 SER HB3 . 51594 1
17 . 1 . 1 6 6 SER CA C 13 58.589 0.000 . 1 . . . . . 6 SER CA . 51594 1
18 . 1 . 1 7 7 LEU H H 1 8.468 0.001 . 1 . . . . . 7 LEU H . 51594 1
19 . 1 . 1 7 7 LEU HA H 1 4.270 0.000 . 1 . . . . . 7 LEU HA . 51594 1
20 . 1 . 1 7 7 LEU HB2 H 1 1.648 0.001 . 1 . . . . . 7 LEU HB2 . 51594 1
21 . 1 . 1 7 7 LEU HG H 1 1.642 0.000 . 1 . . . . . 7 LEU HG . 51594 1
22 . 1 . 1 7 7 LEU HD11 H 1 0.892 0.000 . 2 . . . . . 7 LEU HD11 . 51594 1
23 . 1 . 1 7 7 LEU HD12 H 1 0.892 0.000 . 2 . . . . . 7 LEU HD12 . 51594 1
24 . 1 . 1 7 7 LEU HD13 H 1 0.892 0.000 . 2 . . . . . 7 LEU HD13 . 51594 1
25 . 1 . 1 7 7 LEU HD21 H 1 0.956 0.000 . 2 . . . . . 7 LEU HD21 . 51594 1
26 . 1 . 1 7 7 LEU HD22 H 1 0.956 0.000 . 2 . . . . . 7 LEU HD22 . 51594 1
27 . 1 . 1 7 7 LEU HD23 H 1 0.956 0.000 . 2 . . . . . 7 LEU HD23 . 51594 1
28 . 1 . 1 7 7 LEU CA C 13 56.442 0.000 . 1 . . . . . 7 LEU CA . 51594 1
29 . 1 . 1 7 7 LEU CG C 13 26.988 0.000 . 1 . . . . . 7 LEU CG . 51594 1
30 . 1 . 1 7 7 LEU N N 15 124.665 0.000 . 1 . . . . . 7 LEU N . 51594 1
31 . 1 . 1 8 8 ALA H H 1 8.343 0.001 . 1 . . . . . 8 ALA H . 51594 1
32 . 1 . 1 8 8 ALA HA H 1 4.195 0.001 . 1 . . . . . 8 ALA HA . 51594 1
33 . 1 . 1 8 8 ALA HB1 H 1 1.402 0.000 . 1 . . . . . 8 ALA HB1 . 51594 1
34 . 1 . 1 8 8 ALA HB2 H 1 1.402 0.000 . 1 . . . . . 8 ALA HB2 . 51594 1
35 . 1 . 1 8 8 ALA HB3 H 1 1.402 0.000 . 1 . . . . . 8 ALA HB3 . 51594 1
36 . 1 . 1 8 8 ALA CA C 13 53.889 0.000 . 1 . . . . . 8 ALA CA . 51594 1
37 . 1 . 1 8 8 ALA N N 15 123.143 0.000 . 1 . . . . . 8 ALA N . 51594 1
38 . 1 . 1 10 10 LEU H H 1 8.188 0.000 . 1 . . . . . 10 LEU H . 51594 1
39 . 1 . 1 10 10 LEU HA H 1 4.222 0.000 . 1 . . . . . 10 LEU HA . 51594 1
40 . 1 . 1 10 10 LEU HB2 H 1 1.629 0.003 . 2 . . . . . 10 LEU HB2 . 51594 1
41 . 1 . 1 10 10 LEU HB3 H 1 1.780 0.001 . 2 . . . . . 10 LEU HB3 . 51594 1
42 . 1 . 1 10 10 LEU HG H 1 1.691 0.002 . 1 . . . . . 10 LEU HG . 51594 1
43 . 1 . 1 10 10 LEU HD11 H 1 0.902 0.000 . 1 . . . . . 10 LEU HD11 . 51594 1
44 . 1 . 1 10 10 LEU HD12 H 1 0.902 0.000 . 1 . . . . . 10 LEU HD12 . 51594 1
45 . 1 . 1 10 10 LEU HD13 H 1 0.902 0.000 . 1 . . . . . 10 LEU HD13 . 51594 1
46 . 1 . 1 10 10 LEU CA C 13 56.586 0.000 . 1 . . . . . 10 LEU CA . 51594 1
47 . 1 . 1 10 10 LEU CG C 13 26.888 0.000 . 1 . . . . . 10 LEU CG . 51594 1
48 . 1 . 1 10 10 LEU N N 15 121.496 0.000 . 1 . . . . . 10 LEU N . 51594 1
49 . 1 . 1 11 11 GLN H H 1 8.389 0.001 . 1 . . . . . 11 GLN H . 51594 1
50 . 1 . 1 11 11 GLN HA H 1 4.177 0.002 . 1 . . . . . 11 GLN HA . 51594 1
51 . 1 . 1 11 11 GLN HB2 H 1 2.087 0.002 . 1 . . . . . 11 GLN HB2 . 51594 1
52 . 1 . 1 11 11 GLN HG2 H 1 2.470 0.000 . 2 . . . . . 11 GLN HG2 . 51594 1
53 . 1 . 1 11 11 GLN HG3 H 1 2.393 0.001 . 2 . . . . . 11 GLN HG3 . 51594 1
54 . 1 . 1 11 11 GLN HE21 H 1 7.612 0.001 . 1 . . . . . 11 GLN HE21 . 51594 1
55 . 1 . 1 11 11 GLN HE22 H 1 6.943 0.001 . 1 . . . . . 11 GLN HE22 . 51594 1
56 . 1 . 1 11 11 GLN CA C 13 57.197 0.000 . 1 . . . . . 11 GLN CA . 51594 1
57 . 1 . 1 11 11 GLN CB C 13 28.851 0.000 . 1 . . . . . 11 GLN CB . 51594 1
58 . 1 . 1 11 11 GLN CG C 13 33.867 0.000 . 1 . . . . . 11 GLN CG . 51594 1
59 . 1 . 1 11 11 GLN N N 15 120.251 0.000 . 1 . . . . . 11 GLN N . 51594 1
60 . 1 . 1 11 11 GLN NE2 N 15 112.425 0.001 . 1 . . . . . 11 GLN NE2 . 51594 1
61 . 1 . 1 12 12 ALA H H 1 8.266 0.001 . 1 . . . . . 12 ALA H . 51594 1
62 . 1 . 1 12 12 ALA HA H 1 4.227 0.000 . 1 . . . . . 12 ALA HA . 51594 1
63 . 1 . 1 12 12 ALA CA C 13 53.633 0.000 . 1 . . . . . 12 ALA CA . 51594 1
64 . 1 . 1 12 12 ALA N N 15 124.122 0.000 . 1 . . . . . 12 ALA N . 51594 1
65 . 1 . 1 13 13 ALA H H 1 8.140 0.001 . 1 . . . . . 13 ALA H . 51594 1
66 . 1 . 1 13 13 ALA HA H 1 4.244 0.000 . 1 . . . . . 13 ALA HA . 51594 1
67 . 1 . 1 13 13 ALA HB1 H 1 1.455 0.000 . 1 . . . . . 13 ALA HB1 . 51594 1
68 . 1 . 1 13 13 ALA HB2 H 1 1.455 0.000 . 1 . . . . . 13 ALA HB2 . 51594 1
69 . 1 . 1 13 13 ALA HB3 H 1 1.455 0.000 . 1 . . . . . 13 ALA HB3 . 51594 1
70 . 1 . 1 13 13 ALA CA C 13 53.462 0.000 . 1 . . . . . 13 ALA CA . 51594 1
71 . 1 . 1 13 13 ALA N N 15 122.250 0.000 . 1 . . . . . 13 ALA N . 51594 1
72 . 1 . 1 14 14 GLN H H 1 8.174 0.000 . 1 . . . . . 14 GLN H . 51594 1
73 . 1 . 1 14 14 GLN HA H 1 4.209 0.000 . 1 . . . . . 14 GLN HA . 51594 1
74 . 1 . 1 14 14 GLN HB2 H 1 2.113 0.000 . 2 . . . . . 14 GLN HB2 . 51594 1
75 . 1 . 1 14 14 GLN HB3 H 1 2.070 0.000 . 2 . . . . . 14 GLN HB3 . 51594 1
76 . 1 . 1 14 14 GLN HG2 H 1 2.441 0.000 . 1 . . . . . 14 GLN HG2 . 51594 1
77 . 1 . 1 14 14 GLN HE21 H 1 6.975 0.000 . 1 . . . . . 14 GLN HE21 . 51594 1
78 . 1 . 1 14 14 GLN HE22 H 1 7.629 0.000 . 1 . . . . . 14 GLN HE22 . 51594 1
79 . 1 . 1 14 14 GLN CA C 13 56.558 0.000 . 1 . . . . . 14 GLN CA . 51594 1
80 . 1 . 1 14 14 GLN CB C 13 29.050 0.002 . 1 . . . . . 14 GLN CB . 51594 1
81 . 1 . 1 14 14 GLN CG C 13 33.804 0.000 . 1 . . . . . 14 GLN CG . 51594 1
82 . 1 . 1 14 14 GLN N N 15 118.728 0.000 . 1 . . . . . 14 GLN N . 51594 1
83 . 1 . 1 14 14 GLN NE2 N 15 112.807 0.001 . 1 . . . . . 14 GLN NE2 . 51594 1
84 . 1 . 1 16 16 ALA H H 1 8.068 0.000 . 1 . . . . . 16 ALA H . 51594 1
85 . 1 . 1 16 16 ALA HA H 1 4.250 0.000 . 1 . . . . . 16 ALA HA . 51594 1
86 . 1 . 1 16 16 ALA HB1 H 1 1.403 0.001 . 1 . . . . . 16 ALA HB1 . 51594 1
87 . 1 . 1 16 16 ALA HB2 H 1 1.403 0.001 . 1 . . . . . 16 ALA HB2 . 51594 1
88 . 1 . 1 16 16 ALA HB3 H 1 1.403 0.001 . 1 . . . . . 16 ALA HB3 . 51594 1
89 . 1 . 1 16 16 ALA CA C 13 52.610 0.000 . 1 . . . . . 16 ALA CA . 51594 1
90 . 1 . 1 16 16 ALA N N 15 122.371 0.000 . 1 . . . . . 16 ALA N . 51594 1
91 . 1 . 1 17 17 LYS H H 1 8.122 0.001 . 1 . . . . . 17 LYS H . 51594 1
92 . 1 . 1 17 17 LYS HA H 1 4.191 0.000 . 1 . . . . . 17 LYS HA . 51594 1
93 . 1 . 1 17 17 LYS HB2 H 1 1.717 0.000 . 1 . . . . . 17 LYS HB2 . 51594 1
94 . 1 . 1 17 17 LYS HG2 H 1 1.313 0.000 . 2 . . . . . 17 LYS HG2 . 51594 1
95 . 1 . 1 17 17 LYS HG3 H 1 1.392 0.000 . 2 . . . . . 17 LYS HG3 . 51594 1
96 . 1 . 1 17 17 LYS HD2 H 1 1.640 0.002 . 1 . . . . . 17 LYS HD2 . 51594 1
97 . 1 . 1 17 17 LYS HE2 H 1 2.926 0.001 . 1 . . . . . 17 LYS HE2 . 51594 1
98 . 1 . 1 17 17 LYS CA C 13 56.440 0.000 . 1 . . . . . 17 LYS CA . 51594 1
99 . 1 . 1 17 17 LYS CB C 13 33.076 0.000 . 1 . . . . . 17 LYS CB . 51594 1
100 . 1 . 1 17 17 LYS CG C 13 24.745 0.006 . 1 . . . . . 17 LYS CG . 51594 1
101 . 1 . 1 17 17 LYS CD C 13 29.067 0.000 . 1 . . . . . 17 LYS CD . 51594 1
102 . 1 . 1 17 17 LYS CE C 13 42.112 0.000 . 1 . . . . . 17 LYS CE . 51594 1
103 . 1 . 1 17 17 LYS N N 15 120.935 0.000 . 1 . . . . . 17 LYS N . 51594 1
104 . 1 . 1 18 18 LYS H H 1 8.335 0.001 . 1 . . . . . 18 LYS H . 51594 1
105 . 1 . 1 18 18 LYS HA H 1 4.284 0.001 . 1 . . . . . 18 LYS HA . 51594 1
106 . 1 . 1 18 18 LYS HB2 H 1 1.659 0.000 . 2 . . . . . 18 LYS HB2 . 51594 1
107 . 1 . 1 18 18 LYS HB3 H 1 1.783 0.000 . 2 . . . . . 18 LYS HB3 . 51594 1
108 . 1 . 1 18 18 LYS HG2 H 1 1.339 0.000 . 2 . . . . . 18 LYS HG2 . 51594 1
109 . 1 . 1 18 18 LYS HG3 H 1 1.401 0.001 . 2 . . . . . 18 LYS HG3 . 51594 1
110 . 1 . 1 18 18 LYS HE2 H 1 2.977 0.000 . 1 . . . . . 18 LYS HE2 . 51594 1
111 . 1 . 1 18 18 LYS CA C 13 56.175 0.000 . 1 . . . . . 18 LYS CA . 51594 1
112 . 1 . 1 18 18 LYS CB C 13 33.230 0.000 . 1 . . . . . 18 LYS CB . 51594 1
113 . 1 . 1 18 18 LYS CG C 13 24.740 0.005 . 1 . . . . . 18 LYS CG . 51594 1
114 . 1 . 1 18 18 LYS CE C 13 42.040 0.000 . 1 . . . . . 18 LYS CE . 51594 1
115 . 1 . 1 18 18 LYS N N 15 123.594 0.000 . 1 . . . . . 18 LYS N . 51594 1
116 . 1 . 1 19 19 TYR H H 1 7.849 0.001 . 1 . . . . . 19 TYR H . 51594 1
117 . 1 . 1 19 19 TYR HA H 1 4.370 0.000 . 1 . . . . . 19 TYR HA . 51594 1
118 . 1 . 1 19 19 TYR HB2 H 1 3.087 0.000 . 2 . . . . . 19 TYR HB2 . 51594 1
119 . 1 . 1 19 19 TYR HB3 H 1 2.854 0.000 . 2 . . . . . 19 TYR HB3 . 51594 1
120 . 1 . 1 19 19 TYR CA C 13 59.157 0.000 . 1 . . . . . 19 TYR CA . 51594 1
121 . 1 . 1 19 19 TYR CB C 13 39.549 0.000 . 1 . . . . . 19 TYR CB . 51594 1
stop_
save_