Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5608
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5608 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 GLY CA C 13 43.680 . . 1 . . . . . . . . 5608 1
2 . 1 1 1 1 GLY HA3 H 1 4.100 . . 1 . . . . . . . . 5608 1
3 . 1 1 1 1 GLY HA2 H 1 4.100 . . 1 . . . . . . . . 5608 1
4 . 1 1 2 2 ASP N N 15 118.590 . . 1 . . . . . . . . 5608 1
5 . 1 1 2 2 ASP H H 1 9.020 . . 1 . . . . . . . . 5608 1
6 . 1 1 2 2 ASP CA C 13 56.030 . . 1 . . . . . . . . 5608 1
7 . 1 1 2 2 ASP HA H 1 4.850 . . 1 . . . . . . . . 5608 1
8 . 1 1 2 2 ASP CB C 13 42.550 . . 1 . . . . . . . . 5608 1
9 . 1 1 2 2 ASP HB3 H 1 3.100 . . 1 . . . . . . . . 5608 1
10 . 1 1 2 2 ASP HB2 H 1 3.100 . . 1 . . . . . . . . 5608 1
11 . 1 1 3 3 CYS N N 15 114.180 . . 1 . . . . . . . . 5608 1
12 . 1 1 3 3 CYS H H 1 8.080 . . 1 . . . . . . . . 5608 1
13 . 1 1 3 3 CYS CA C 13 51.778 . . 1 . . . . . . . . 5608 1
14 . 1 1 3 3 CYS HA H 1 4.990 . . 1 . . . . . . . . 5608 1
15 . 1 1 3 3 CYS CB C 13 40.890 . . 1 . . . . . . . . 5608 1
16 . 1 1 3 3 CYS HB3 H 1 3.230 . . 2 . . . . . . . . 5608 1
17 . 1 1 3 3 CYS HB2 H 1 2.830 . . 2 . . . . . . . . 5608 1
18 . 1 1 4 4 PRO CA C 13 63.090 . . 1 . . . . . . . . 5608 1
19 . 1 1 4 4 PRO HA H 1 4.525 . . 1 . . . . . . . . 5608 1
20 . 1 1 4 4 PRO CB C 13 34.920 . . 1 . . . . . . . . 5608 1
21 . 1 1 4 4 PRO HB3 H 1 1.476 . . 2 . . . . . . . . 5608 1
22 . 1 1 4 4 PRO HB2 H 1 2.240 . . 2 . . . . . . . . 5608 1
23 . 1 1 4 4 PRO CG C 13 24.250 . . 1 . . . . . . . . 5608 1
24 . 1 1 4 4 PRO HG3 H 1 0.973 . . 2 . . . . . . . . 5608 1
25 . 1 1 4 4 PRO HG2 H 1 1.780 . . 2 . . . . . . . . 5608 1
26 . 1 1 4 4 PRO CD C 13 50.220 . . 1 . . . . . . . . 5608 1
27 . 1 1 4 4 PRO HD3 H 1 3.400 . . 2 . . . . . . . . 5608 1
28 . 1 1 4 4 PRO HD2 H 1 3.530 . . 2 . . . . . . . . 5608 1
29 . 1 1 5 5 DTR N N 15 115.290 . . 1 . . . . . . . . 5608 1
30 . 1 1 5 5 DTR H H 1 8.800 . . 1 . . . . . . . . 5608 1
31 . 1 1 5 5 DTR CA C 13 55.707 . . 1 . . . . . . . . 5608 1
32 . 1 1 5 5 DTR HA H 1 5.360 . . 1 . . . . . . . . 5608 1
33 . 1 1 5 5 DTR CB C 13 30.550 . . 1 . . . . . . . . 5608 1
34 . 1 1 5 5 DTR HB3 H 1 3.660 . . 2 . . . . . . . . 5608 1
35 . 1 1 5 5 DTR HB2 H 1 3.280 . . 2 . . . . . . . . 5608 1
36 . 1 1 5 5 DTR CD1 C 13 127.900 . . 4 . . . . . . . . 5608 1
37 . 1 1 5 5 DTR HD1 H 1 7.423 . . 1 . . . . . . . . 5608 1
38 . 1 1 5 5 DTR HE1 H 1 10.347 . . 4 . . . . . . . . 5608 1
39 . 1 1 5 5 DTR CZ2 C 13 114.840 . . 4 . . . . . . . . 5608 1
40 . 1 1 5 5 DTR HZ2 H 1 7.690 . . 4 . . . . . . . . 5608 1
41 . 1 1 5 5 DTR CH2 C 13 124.760 . . 1 . . . . . . . . 5608 1
42 . 1 1 5 5 DTR HH2 H 1 7.420 . . 1 . . . . . . . . 5608 1
43 . 1 1 5 5 DTR CZ3 C 13 121.900 . . 4 . . . . . . . . 5608 1
44 . 1 1 5 5 DTR HZ3 H 1 7.300 . . 4 . . . . . . . . 5608 1
45 . 1 1 5 5 DTR CE3 C 13 121.610 . . 4 . . . . . . . . 5608 1
46 . 1 1 5 5 DTR HE3 H 1 7.800 . . 4 . . . . . . . . 5608 1
47 . 1 1 6 6 LYS N N 15 118.310 . . 1 . . . . . . . . 5608 1
48 . 1 1 6 6 LYS H H 1 7.170 . . 1 . . . . . . . . 5608 1
49 . 1 1 6 6 LYS CA C 13 52.690 . . 1 . . . . . . . . 5608 1
50 . 1 1 6 6 LYS HA H 1 4.780 . . 1 . . . . . . . . 5608 1
51 . 1 1 6 6 LYS CB C 13 31.360 . . 1 . . . . . . . . 5608 1
52 . 1 1 6 6 LYS HB3 H 1 0.953 . . 2 . . . . . . . . 5608 1
53 . 1 1 6 6 LYS HB2 H 1 0.128 . . 2 . . . . . . . . 5608 1
54 . 1 1 6 6 LYS CG C 13 25.030 . . 1 . . . . . . . . 5608 1
55 . 1 1 6 6 LYS HG3 H 1 1.392 . . 2 . . . . . . . . 5608 1
56 . 1 1 6 6 LYS HG2 H 1 1.560 . . 2 . . . . . . . . 5608 1
57 . 1 1 6 6 LYS CD C 13 28.090 . . 1 . . . . . . . . 5608 1
58 . 1 1 6 6 LYS HD3 H 1 1.920 . . 2 . . . . . . . . 5608 1
59 . 1 1 6 6 LYS HD2 H 1 1.692 . . 2 . . . . . . . . 5608 1
60 . 1 1 6 6 LYS CE C 13 42.810 . . 1 . . . . . . . . 5608 1
61 . 1 1 6 6 LYS HE3 H 1 3.310 . . 1 . . . . . . . . 5608 1
62 . 1 1 6 6 LYS HE2 H 1 3.310 . . 1 . . . . . . . . 5608 1
63 . 1 1 7 7 PRO CA C 13 65.530 . . 1 . . . . . . . . 5608 1
64 . 1 1 7 7 PRO HA H 1 4.390 . . 1 . . . . . . . . 5608 1
65 . 1 1 7 7 PRO CB C 13 32.170 . . 1 . . . . . . . . 5608 1
66 . 1 1 7 7 PRO HB3 H 1 2.360 . . 2 . . . . . . . . 5608 1
67 . 1 1 7 7 PRO HB2 H 1 2.640 . . 2 . . . . . . . . 5608 1
68 . 1 1 7 7 PRO CG C 13 27.800 . . 1 . . . . . . . . 5608 1
69 . 1 1 7 7 PRO HG3 H 1 2.390 . . 1 . . . . . . . . 5608 1
70 . 1 1 7 7 PRO HG2 H 1 2.390 . . 1 . . . . . . . . 5608 1
71 . 1 1 7 7 PRO CD C 13 50.890 . . 1 . . . . . . . . 5608 1
72 . 1 1 7 7 PRO HD3 H 1 3.460 . . 2 . . . . . . . . 5608 1
73 . 1 1 7 7 PRO HD2 H 1 3.890 . . 2 . . . . . . . . 5608 1
74 . 1 1 8 8 TRP N N 15 110.970 . . 1 . . . . . . . . 5608 1
75 . 1 1 8 8 TRP H H 1 6.530 . . 1 . . . . . . . . 5608 1
76 . 1 1 8 8 TRP CA C 13 56.640 . . 1 . . . . . . . . 5608 1
77 . 1 1 8 8 TRP HA H 1 5.000 . . 1 . . . . . . . . 5608 1
78 . 1 1 8 8 TRP CB C 13 27.530 . . 1 . . . . . . . . 5608 1
79 . 1 1 8 8 TRP HB3 H 1 3.490 . . 2 . . . . . . . . 5608 1
80 . 1 1 8 8 TRP HB2 H 1 3.800 . . 2 . . . . . . . . 5608 1
81 . 1 1 8 8 TRP CD1 C 13 127.750 . . 4 . . . . . . . . 5608 1
82 . 1 1 8 8 TRP HD1 H 1 7.340 . . 1 . . . . . . . . 5608 1
83 . 1 1 8 8 TRP HE1 H 1 10.540 . . 4 . . . . . . . . 5608 1
84 . 1 1 8 8 TRP CZ2 C 13 115.310 . . 4 . . . . . . . . 5608 1
85 . 1 1 8 8 TRP HZ2 H 1 7.734 . . 3 . . . . . . . . 5608 1
86 . 1 1 8 8 TRP CH2 C 13 125.440 . . 1 . . . . . . . . 5608 1
87 . 1 1 8 8 TRP HH2 H 1 7.515 . . 1 . . . . . . . . 5608 1
88 . 1 1 8 8 TRP CZ3 C 13 123.010 . . 4 . . . . . . . . 5608 1
89 . 1 1 8 8 TRP HZ3 H 1 7.506 . . 4 . . . . . . . . 5608 1
90 . 1 1 8 8 TRP CE3 C 13 120.380 . . 4 . . . . . . . . 5608 1
91 . 1 1 8 8 TRP HE3 H 1 7.860 . . 4 . . . . . . . . 5608 1
92 . 1 1 9 9 CYS N N 15 121.390 . . 1 . . . . . . . . 5608 1
93 . 1 1 9 9 CYS H H 1 7.370 . . 1 . . . . . . . . 5608 1
94 . 1 1 9 9 CYS CA C 13 57.050 . . 1 . . . . . . . . 5608 1
95 . 1 1 9 9 CYS HA H 1 4.530 . . 1 . . . . . . . . 5608 1
96 . 1 1 9 9 CYS CB C 13 40.410 . . 1 . . . . . . . . 5608 1
97 . 1 1 9 9 CYS HB3 H 1 3.295 . . 1 . . . . . . . . 5608 1
98 . 1 1 9 9 CYS HB2 H 1 3.295 . . 1 . . . . . . . . 5608 1
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save_