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 51592
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name P1-5
_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' . . . 51592 1
2 '2D 1H-1H NOESY' . . . 51592 1
3 '2D 1H-13C HSQC' . . . 51592 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 . . 51592 1
2 $software_2 . . 51592 1
3 $software_3 . . 51592 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 . 51592 1
2 . 1 . 1 4 4 GLY H H 1 8.704 0.000 . 1 . . . . . 4 GLY H . 51592 1
3 . 1 . 1 4 4 GLY HA2 H 1 3.953 0.006 . 1 . . . . . 4 GLY HA2 . 51592 1
4 . 1 . 1 5 5 ALA H H 1 8.346 0.001 . 1 . . . . . 5 ALA H . 51592 1
5 . 1 . 1 5 5 ALA HA H 1 4.274 0.000 . 1 . . . . . 5 ALA HA . 51592 1
6 . 1 . 1 5 5 ALA HB1 H 1 1.428 0.000 . 1 . . . . . 5 ALA HB1 . 51592 1
7 . 1 . 1 5 5 ALA HB2 H 1 1.428 0.000 . 1 . . . . . 5 ALA HB2 . 51592 1
8 . 1 . 1 5 5 ALA HB3 H 1 1.428 0.000 . 1 . . . . . 5 ALA HB3 . 51592 1
9 . 1 . 1 5 5 ALA CA C 13 53.311 0.000 . 1 . . . . . 5 ALA CA . 51592 1
10 . 1 . 1 5 5 ALA N N 15 124.045 0.000 . 1 . . . . . 5 ALA N . 51592 1
11 . 1 . 1 6 6 SER H H 1 8.597 0.001 . 1 . . . . . 6 SER H . 51592 1
12 . 1 . 1 6 6 SER HA H 1 4.392 0.001 . 1 . . . . . 6 SER HA . 51592 1
13 . 1 . 1 6 6 SER HB2 H 1 3.895 0.000 . 2 . . . . . 6 SER HB2 . 51592 1
14 . 1 . 1 6 6 SER HB3 H 1 3.926 0.000 . 2 . . . . . 6 SER HB3 . 51592 1
15 . 1 . 1 6 6 SER CA C 13 59.026 0.000 . 1 . . . . . 6 SER CA . 51592 1
16 . 1 . 1 7 7 LEU H H 1 8.349 0.002 . 1 . . . . . 7 LEU H . 51592 1
17 . 1 . 1 7 7 LEU HA H 1 4.308 0.002 . 1 . . . . . 7 LEU HA . 51592 1
18 . 1 . 1 7 7 LEU HB2 H 1 1.645 0.000 . 1 . . . . . 7 LEU HB2 . 51592 1
19 . 1 . 1 7 7 LEU HD11 H 1 0.887 0.005 . 2 . . . . . 7 LEU HD11 . 51592 1
20 . 1 . 1 7 7 LEU HD12 H 1 0.887 0.005 . 2 . . . . . 7 LEU HD12 . 51592 1
21 . 1 . 1 7 7 LEU HD13 H 1 0.887 0.005 . 2 . . . . . 7 LEU HD13 . 51592 1
22 . 1 . 1 7 7 LEU HD21 H 1 0.943 0.005 . 2 . . . . . 7 LEU HD21 . 51592 1
23 . 1 . 1 7 7 LEU HD22 H 1 0.943 0.005 . 2 . . . . . 7 LEU HD22 . 51592 1
24 . 1 . 1 7 7 LEU HD23 H 1 0.943 0.005 . 2 . . . . . 7 LEU HD23 . 51592 1
25 . 1 . 1 7 7 LEU CA C 13 56.198 0.000 . 1 . . . . . 7 LEU CA . 51592 1
26 . 1 . 1 7 7 LEU N N 15 125.197 0.000 . 1 . . . . . 7 LEU N . 51592 1
27 . 1 . 1 8 8 LEU H H 1 8.156 0.000 . 1 . . . . . 8 LEU H . 51592 1
28 . 1 . 1 8 8 LEU HA H 1 4.255 0.002 . 1 . . . . . 8 LEU HA . 51592 1
29 . 1 . 1 8 8 LEU HB2 H 1 1.620 0.000 . 1 . . . . . 8 LEU HB2 . 51592 1
30 . 1 . 1 8 8 LEU HD11 H 1 0.934 0.001 . 2 . . . . . 8 LEU HD11 . 51592 1
31 . 1 . 1 8 8 LEU HD12 H 1 0.934 0.001 . 2 . . . . . 8 LEU HD12 . 51592 1
32 . 1 . 1 8 8 LEU HD13 H 1 0.934 0.001 . 2 . . . . . 8 LEU HD13 . 51592 1
33 . 1 . 1 8 8 LEU HD21 H 1 0.876 0.000 . 2 . . . . . 8 LEU HD21 . 51592 1
34 . 1 . 1 8 8 LEU HD22 H 1 0.876 0.000 . 2 . . . . . 8 LEU HD22 . 51592 1
35 . 1 . 1 8 8 LEU HD23 H 1 0.876 0.000 . 2 . . . . . 8 LEU HD23 . 51592 1
36 . 1 . 1 8 8 LEU CA C 13 56.187 0.000 . 1 . . . . . 8 LEU CA . 51592 1
37 . 1 . 1 8 8 LEU N N 15 121.777 0.000 . 1 . . . . . 8 LEU N . 51592 1
38 . 1 . 1 9 9 ALA H H 1 8.232 0.001 . 1 . . . . . 9 ALA H . 51592 1
39 . 1 . 1 9 9 ALA HA H 1 4.221 0.000 . 1 . . . . . 9 ALA HA . 51592 1
40 . 1 . 1 9 9 ALA HB1 H 1 1.432 0.000 . 1 . . . . . 9 ALA HB1 . 51592 1
41 . 1 . 1 9 9 ALA HB2 H 1 1.432 0.000 . 1 . . . . . 9 ALA HB2 . 51592 1
42 . 1 . 1 9 9 ALA HB3 H 1 1.432 0.000 . 1 . . . . . 9 ALA HB3 . 51592 1
43 . 1 . 1 9 9 ALA CA C 13 53.739 0.000 . 1 . . . . . 9 ALA CA . 51592 1
44 . 1 . 1 9 9 ALA N N 15 123.424 0.000 . 1 . . . . . 9 ALA N . 51592 1
45 . 1 . 1 10 10 ALA H H 1 8.224 0.003 . 1 . . . . . 10 ALA H . 51592 1
46 . 1 . 1 10 10 ALA HA H 1 4.234 0.000 . 1 . . . . . 10 ALA HA . 51592 1
47 . 1 . 1 10 10 ALA HB1 H 1 1.456 0.000 . 1 . . . . . 10 ALA HB1 . 51592 1
48 . 1 . 1 10 10 ALA HB2 H 1 1.456 0.000 . 1 . . . . . 10 ALA HB2 . 51592 1
49 . 1 . 1 10 10 ALA HB3 H 1 1.456 0.000 . 1 . . . . . 10 ALA HB3 . 51592 1
50 . 1 . 1 10 10 ALA CA C 13 53.659 0.000 . 1 . . . . . 10 ALA CA . 51592 1
51 . 1 . 1 10 10 ALA N N 15 122.502 0.000 . 1 . . . . . 10 ALA N . 51592 1
52 . 1 . 1 11 11 GLN H H 1 8.347 0.001 . 1 . . . . . 11 GLN H . 51592 1
53 . 1 . 1 11 11 GLN HA H 1 4.210 0.000 . 1 . . . . . 11 GLN HA . 51592 1
54 . 1 . 1 11 11 GLN HB2 H 1 2.137 0.004 . 1 . . . . . 11 GLN HB2 . 51592 1
55 . 1 . 1 11 11 GLN HG2 H 1 2.397 0.001 . 2 . . . . . 11 GLN HG2 . 51592 1
56 . 1 . 1 11 11 GLN HG3 H 1 2.485 0.001 . 2 . . . . . 11 GLN HG3 . 51592 1
57 . 1 . 1 11 11 GLN HE21 H 1 6.916 0.001 . 1 . . . . . 11 GLN HE21 . 51592 1
58 . 1 . 1 11 11 GLN HE22 H 1 7.621 0.000 . 1 . . . . . 11 GLN HE22 . 51592 1
59 . 1 . 1 11 11 GLN CA C 13 57.117 0.000 . 1 . . . . . 11 GLN CA . 51592 1
60 . 1 . 1 11 11 GLN N N 15 119.673 0.000 . 1 . . . . . 11 GLN N . 51592 1
61 . 1 . 1 11 11 GLN NE2 N 15 112.296 0.003 . 1 . . . . . 11 GLN NE2 . 51592 1
62 . 1 . 1 12 12 GLN H H 1 8.449 0.001 . 1 . . . . . 12 GLN H . 51592 1
63 . 1 . 1 12 12 GLN HA H 1 4.203 0.001 . 1 . . . . . 12 GLN HA . 51592 1
64 . 1 . 1 12 12 GLN HB2 H 1 2.089 0.001 . 1 . . . . . 12 GLN HB2 . 51592 1
65 . 1 . 1 12 12 GLN HG2 H 1 2.404 0.001 . 2 . . . . . 12 GLN HG2 . 51592 1
66 . 1 . 1 12 12 GLN HG3 H 1 2.463 0.000 . 2 . . . . . 12 GLN HG3 . 51592 1
67 . 1 . 1 12 12 GLN HE21 H 1 6.955 0.001 . 1 . . . . . 12 GLN HE21 . 51592 1
68 . 1 . 1 12 12 GLN HE22 H 1 7.618 0.000 . 1 . . . . . 12 GLN HE22 . 51592 1
69 . 1 . 1 12 12 GLN CA C 13 57.064 0.000 . 1 . . . . . 12 GLN CA . 51592 1
70 . 1 . 1 12 12 GLN N N 15 121.132 0.000 . 1 . . . . . 12 GLN N . 51592 1
71 . 1 . 1 12 12 GLN NE2 N 15 112.645 0.002 . 1 . . . . . 12 GLN NE2 . 51592 1
72 . 1 . 1 13 13 ALA H H 1 8.312 0.001 . 1 . . . . . 13 ALA H . 51592 1
73 . 1 . 1 13 13 ALA HA H 1 4.231 0.000 . 1 . . . . . 13 ALA HA . 51592 1
74 . 1 . 1 13 13 ALA HB1 H 1 1.435 0.000 . 1 . . . . . 13 ALA HB1 . 51592 1
75 . 1 . 1 13 13 ALA HB2 H 1 1.435 0.000 . 1 . . . . . 13 ALA HB2 . 51592 1
76 . 1 . 1 13 13 ALA HB3 H 1 1.435 0.000 . 1 . . . . . 13 ALA HB3 . 51592 1
77 . 1 . 1 13 13 ALA CA C 13 53.455 0.000 . 1 . . . . . 13 ALA CA . 51592 1
78 . 1 . 1 13 13 ALA N N 15 124.386 0.000 . 1 . . . . . 13 ALA N . 51592 1
79 . 1 . 1 14 14 ALA H H 1 8.147 0.001 . 1 . . . . . 14 ALA H . 51592 1
80 . 1 . 1 14 14 ALA HA H 1 4.230 0.000 . 1 . . . . . 14 ALA HA . 51592 1
81 . 1 . 1 14 14 ALA HB1 H 1 1.431 0.000 . 1 . . . . . 14 ALA HB1 . 51592 1
82 . 1 . 1 14 14 ALA HB2 H 1 1.431 0.000 . 1 . . . . . 14 ALA HB2 . 51592 1
83 . 1 . 1 14 14 ALA HB3 H 1 1.431 0.000 . 1 . . . . . 14 ALA HB3 . 51592 1
84 . 1 . 1 14 14 ALA CA C 13 53.316 0.000 . 1 . . . . . 14 ALA CA . 51592 1
85 . 1 . 1 14 14 ALA N N 15 122.275 0.000 . 1 . . . . . 14 ALA N . 51592 1
86 . 1 . 1 15 15 ALA H H 1 8.069 0.001 . 1 . . . . . 15 ALA H . 51592 1
87 . 1 . 1 15 15 ALA HA H 1 4.246 0.000 . 1 . . . . . 15 ALA HA . 51592 1
88 . 1 . 1 15 15 ALA HB1 H 1 1.420 0.000 . 1 . . . . . 15 ALA HB1 . 51592 1
89 . 1 . 1 15 15 ALA HB2 H 1 1.420 0.000 . 1 . . . . . 15 ALA HB2 . 51592 1
90 . 1 . 1 15 15 ALA HB3 H 1 1.420 0.000 . 1 . . . . . 15 ALA HB3 . 51592 1
91 . 1 . 1 15 15 ALA CA C 13 52.614 0.000 . 1 . . . . . 15 ALA CA . 51592 1
92 . 1 . 1 15 15 ALA N N 15 122.315 0.000 . 1 . . . . . 15 ALA N . 51592 1
93 . 1 . 1 16 16 ALA H H 1 8.045 0.002 . 1 . . . . . 16 ALA H . 51592 1
94 . 1 . 1 16 16 ALA HA H 1 4.244 0.001 . 1 . . . . . 16 ALA HA . 51592 1
95 . 1 . 1 16 16 ALA HB1 H 1 1.407 0.000 . 1 . . . . . 16 ALA HB1 . 51592 1
96 . 1 . 1 16 16 ALA HB2 H 1 1.407 0.000 . 1 . . . . . 16 ALA HB2 . 51592 1
97 . 1 . 1 16 16 ALA HB3 H 1 1.407 0.000 . 1 . . . . . 16 ALA HB3 . 51592 1
98 . 1 . 1 16 16 ALA CA C 13 52.606 0.000 . 1 . . . . . 16 ALA CA . 51592 1
99 . 1 . 1 16 16 ALA N N 15 122.579 0.000 . 1 . . . . . 16 ALA N . 51592 1
100 . 1 . 1 17 17 LYS H H 1 8.131 0.001 . 1 . . . . . 17 LYS H . 51592 1
101 . 1 . 1 17 17 LYS HA H 1 4.197 0.001 . 1 . . . . . 17 LYS HA . 51592 1
102 . 1 . 1 17 17 LYS HB2 H 1 1.715 0.000 . 1 . . . . . 17 LYS HB2 . 51592 1
103 . 1 . 1 17 17 LYS HG2 H 1 1.311 0.000 . 1 . . . . . 17 LYS HG2 . 51592 1
104 . 1 . 1 17 17 LYS HE2 H 1 2.925 0.000 . 1 . . . . . 17 LYS HE2 . 51592 1
105 . 1 . 1 17 17 LYS CA C 13 56.327 0.000 . 1 . . . . . 17 LYS CA . 51592 1
106 . 1 . 1 17 17 LYS N N 15 120.944 0.000 . 1 . . . . . 17 LYS N . 51592 1
107 . 1 . 1 18 18 LYS H H 1 8.332 0.001 . 1 . . . . . 18 LYS H . 51592 1
108 . 1 . 1 18 18 LYS HA H 1 4.285 0.001 . 1 . . . . . 18 LYS HA . 51592 1
109 . 1 . 1 18 18 LYS HB2 H 1 1.785 0.000 . 2 . . . . . 18 LYS HB2 . 51592 1
110 . 1 . 1 18 18 LYS HB3 H 1 1.657 0.000 . 2 . . . . . 18 LYS HB3 . 51592 1
111 . 1 . 1 18 18 LYS HG2 H 1 1.338 0.000 . 1 . . . . . 18 LYS HG2 . 51592 1
112 . 1 . 1 18 18 LYS HE2 H 1 2.978 0.000 . 1 . . . . . 18 LYS HE2 . 51592 1
113 . 1 . 1 18 18 LYS CA C 13 56.076 0.000 . 1 . . . . . 18 LYS CA . 51592 1
114 . 1 . 1 18 18 LYS N N 15 123.662 0.000 . 1 . . . . . 18 LYS N . 51592 1
115 . 1 . 1 19 19 TYR H H 1 7.848 0.001 . 1 . . . . . 19 TYR H . 51592 1
116 . 1 . 1 19 19 TYR HA H 1 4.373 0.001 . 1 . . . . . 19 TYR HA . 51592 1
117 . 1 . 1 19 19 TYR HB2 H 1 3.090 0.000 . 2 . . . . . 19 TYR HB2 . 51592 1
118 . 1 . 1 19 19 TYR HB3 H 1 2.858 0.000 . 2 . . . . . 19 TYR HB3 . 51592 1
119 . 1 . 1 19 19 TYR CA C 13 59.162 0.000 . 1 . . . . . 19 TYR CA . 51592 1
120 . 1 . 1 19 19 TYR N N 15 126.351 0.000 . 1 . . . . . 19 TYR N . 51592 1
stop_
save_