Content for NMR-STAR saveframe, "coupling_constant_one"
save_coupling_constant_one
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode coupling_constant_one
_Coupling_constant_list.Entry_ID 4163
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_conditions_one
_Coupling_constant_list.Spectrometer_frequency_1H 500
_Coupling_constant_list.Details
;
3JHNHA coupling constants were measured at two transforms, one phased in pure
absorption and the other in pure dispersion, of the DQF-COSY spectrum. From
these values the real couplingconstants were calculated according to Kim, Y.
and Prestegard, J.H. (1989) J. Magn. Reson. 84, 9-13.
;
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
. . 1 $sample_one . 4163 1
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JHNHA . 1 1 2 2 CYS H . . . . 1 1 2 2 CYS HA . . . 6.3 . . 0.1 . . . . . . . . . . . 4163 1
2 3JHNHA . 1 1 3 3 ASN H . . . . 1 1 3 3 ASN HA . . . 9.1 . . 0.1 . . . . . . . . . . . 4163 1
3 3JHNHA . 1 1 4 4 GLU H . . . . 1 1 4 4 GLU HA . . . 9.0 . . 0.1 . . . . . . . . . . . 4163 1
4 3JHNHA . 1 1 5 5 ARG H . . . . 1 1 5 5 ARG HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1
5 3JHNHA . 1 1 8 8 GLN H . . . . 1 1 8 8 GLN HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
6 3JHNHA . 1 1 9 9 THR H . . . . 1 1 9 9 THR HA . . . 8.0 . . 0.1 . . . . . . . . . . . 4163 1
7 3JHNHA . 1 1 10 10 TRP H . . . . 1 1 10 10 TRP HA . . . 7.9 . . 0.1 . . . . . . . . . . . 4163 1
8 3JHNHA . 1 1 11 11 SER H . . . . 1 1 11 11 SER HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
9 3JHNHA . 1 1 13 13 ASN H . . . . 1 1 13 13 ASN HA . . . 5.9 . . 0.1 . . . . . . . . . . . 4163 1
10 3JHNHA . 1 1 16 16 ASN H . . . . 1 1 16 16 ASN HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
11 3JHNHA . 1 1 17 17 THR H . . . . 1 1 17 17 THR HA . . . 1.9 . . 0.1 . . . . . . . . . . . 4163 1
12 3JHNHA . 1 1 18 18 ALA H . . . . 1 1 18 18 ALA HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1
13 3JHNHA . 1 1 19 19 HIS H . . . . 1 1 19 19 HIS HA . . . 4.7 . . 0.1 . . . . . . . . . . . 4163 1
14 3JHNHA . 1 1 20 20 CYS H . . . . 1 1 20 20 CYS HA . . . 2.5 . . 0.1 . . . . . . . . . . . 4163 1
15 3JHNHA . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP HA . . . 7.5 . . 0.1 . . . . . . . . . . . 4163 1
16 3JHNHA . 1 1 22 22 LYS H . . . . 1 1 22 22 LYS HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1
17 3JHNHA . 1 1 23 23 GLN H . . . . 1 1 23 23 GLN HA . . . 2.4 . . 0.1 . . . . . . . . . . . 4163 1
18 3JHNHA . 1 1 24 24 CYS H . . . . 1 1 24 24 CYS HA . . . 4.3 . . 0.1 . . . . . . . . . . . 4163 1
19 3JHNHA . 1 1 25 25 GLN H . . . . 1 1 25 25 GLN HA . . . 9.1 . . 0.1 . . . . . . . . . . . 4163 1
20 3JHNHA . 1 1 26 26 ASP H . . . . 1 1 26 26 ASP HA . . . 2.0 . . 0.1 . . . . . . . . . . . 4163 1
21 3JHNHA . 1 1 27 27 TRP H . . . . 1 1 27 27 TRP HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
22 3JHNHA . 1 1 28 28 GLU H . . . . 1 1 28 28 GLU HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1
23 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1
24 3JHNHA . 1 1 30 30 ALA H . . . . 1 1 30 30 ALA HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1
25 3JHNHA . 1 1 31 31 SER H . . . . 1 1 31 31 SER HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1
26 3JHNHA . 1 1 32 32 HIS H . . . . 1 1 32 32 HIS HA . . . 5.8 . . 0.1 . . . . . . . . . . . 4163 1
27 3JHNHA . 1 1 35 35 CYS H . . . . 1 1 35 35 CYS HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
28 3JHNHA . 1 1 36 36 HIS H . . . . 1 1 36 36 HIS HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1
29 3JHNHA . 1 1 37 37 LYS H . . . . 1 1 37 37 LYS HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1
30 3JHNHA . 1 1 38 38 ARG H . . . . 1 1 38 38 ARG HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1
31 3JHNHA . 1 1 39 39 GLU H . . . . 1 1 39 39 GLU HA . . . 9.8 . . 0.1 . . . . . . . . . . . 4163 1
32 3JHNHA . 1 1 40 40 ASN H . . . . 1 1 40 40 ASN HA . . . 3.2 . . 0.1 . . . . . . . . . . . 4163 1
33 3JHNHA . 1 1 41 41 HIS H . . . . 1 1 41 41 HIS HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1
34 3JHNHA . 1 1 42 42 TRP H . . . . 1 1 42 42 TRP HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1
35 3JHNHA . 1 1 43 43 LYS H . . . . 1 1 43 43 LYS HA . . . 12.9 . . 0.1 . . . . . . . . . . . 4163 1
36 3JHNHA . 1 1 45 45 PHE H . . . . 1 1 45 45 PHE HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1
37 3JHNHA . 1 1 46 46 CYS H . . . . 1 1 46 46 CYS HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
38 3JHNHA . 1 1 47 47 TYR H . . . . 1 1 47 47 TYR HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1
39 3JHNHA . 1 1 50 50 CYS H . . . . 1 1 50 50 CYS HA . . . 9.8 . . 0.1 . . . . . . . . . . . 4163 1
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