Content for NMR-STAR saveframe, "coupling_constant"
save_coupling_constant
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode coupling_constant
_Coupling_constant_list.Entry_ID 4071
_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 .
_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
coupling constants 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 . 4071 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 1 1 PCA H H 1 . . 1 1 1 1 PCA HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4071 1
2 3JHNHA . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS HA H 1 . 4.7 . . 0.1 . . . . . . . . . . . 4071 1
3 3JHNHA . 1 1 3 3 LEU H H 1 . . 1 1 3 3 LEU HA H 1 . 9.7 . . 0.1 . . . . . . . . . . . 4071 1
4 3JHNHA . 1 1 4 4 CYS H H 1 . . 1 1 4 4 CYS HA H 1 . 9.5 . . 0.1 . . . . . . . . . . . 4071 1
5 3JHNHA . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 4071 1
6 3JHNHA . 1 1 6 6 ARG H H 1 . . 1 1 6 6 ARG HA H 1 . 8.4 . . 0.1 . . . . . . . . . . . 4071 1
7 3JHNHA . 1 1 8 8 SER H H 1 . . 1 1 8 8 SER HA H 1 . 3.9 . . 0.1 . . . . . . . . . . . 4071 1
8 3JHNHA . 1 1 10 10 THR H H 1 . . 1 1 10 10 THR HA H 1 . 10.1 . . 0.1 . . . . . . . . . . . 4071 1
9 3JHNHA . 1 1 11 11 TRP H H 1 . . 1 1 11 11 TRP HA H 1 . 8.2 . . 0.1 . . . . . . . . . . . 4071 1
10 3JHNHA . 1 1 12 12 SER H H 1 . . 1 1 12 12 SER HA H 1 . 11.9 . . 0.1 . . . . . . . . . . . 4071 1
11 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 4071 1
12 3JHNHA . 1 1 15 15 CYS H H 1 . . 1 1 15 15 CYS HA H 1 . 9.3 . . 0.1 . . . . . . . . . . . 4071 1
13 3JHNHA . 1 1 17 17 ASN H H 1 . . 1 1 17 17 ASN HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4071 1
14 3JHNHA . 1 1 18 18 ASN H H 1 . . 1 1 18 18 ASN HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 4071 1
15 3JHNHA . 1 1 19 19 ASN H H 1 . . 1 1 19 19 ASN HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4071 1
16 3JHNHA . 1 1 20 20 ALA H H 1 . . 1 1 20 20 ALA HA H 1 . 6.4 . . 0.1 . . . . . . . . . . . 4071 1
17 3JHNHA . 1 1 21 21 CYS H H 1 . . 1 1 21 21 CYS HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 4071 1
18 3JHNHA . 1 1 22 22 LYS H H 1 . . 1 1 22 22 LYS HA H 1 . 4.9 . . 0.1 . . . . . . . . . . . 4071 1
19 3JHNHA . 1 1 23 23 ASN H H 1 . . 1 1 23 23 ASN HA H 1 . 5.1 . . 0.1 . . . . . . . . . . . 4071 1
20 3JHNHA . 1 1 24 24 GLN H H 1 . . 1 1 24 24 GLN HA H 1 . 4.9 . . 0.1 . . . . . . . . . . . 4071 1
21 3JHNHA . 1 1 25 25 CYS H H 1 . . 1 1 25 25 CYS HA H 1 . 5.5 . . 0.1 . . . . . . . . . . . 4071 1
22 3JHNHA . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE HA H 1 . 4.8 . . 0.1 . . . . . . . . . . . 4071 1
23 3JHNHA . 1 1 27 27 ASN H H 1 . . 1 1 27 27 ASN HA H 1 . 6.2 . . 0.1 . . . . . . . . . . . 4071 1
24 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 9.9 . . 0.1 . . . . . . . . . . . 4071 1
25 3JHNHA . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU HA H 1 . 10.9 . . 0.1 . . . . . . . . . . . 4071 1
26 3JHNHA . 1 1 30 30 LYS H H 1 . . 1 1 30 30 LYS HA H 1 . 7.9 . . 0.1 . . . . . . . . . . . 4071 1
27 3JHNHA . 1 1 31 31 ALA H H 1 . . 1 1 31 31 ALA HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 4071 1
28 3JHNHA . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG HA H 1 . 8.5 . . 0.1 . . . . . . . . . . . 4071 1
29 3JHNHA . 1 1 33 33 HIS H H 1 . . 1 1 33 33 HIS HA H 1 . 6.1 . . 0.1 . . . . . . . . . . . 4071 1
30 3JHNHA . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER HA H 1 . 6.0 . . 0.1 . . . . . . . . . . . 4071 1
31 3JHNHA . 1 1 36 36 CYS H H 1 . . 1 1 36 36 CYS HA H 1 . 10.1 . . 0.1 . . . . . . . . . . . 4071 1
32 3JHNHA . 1 1 37 37 ASN H H 1 . . 1 1 37 37 ASN HA H 1 . 9.9 . . 0.1 . . . . . . . . . . . 4071 1
33 3JHNHA . 1 1 38 38 TYR H H 1 . . 1 1 38 38 TYR HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 4071 1
34 3JHNHA . 1 1 39 39 VAL H H 1 . . 1 1 39 39 VAL HA H 1 . 7.0 . . 0.1 . . . . . . . . . . . 4071 1
35 3JHNHA . 1 1 40 40 PHE H H 1 . . 1 1 40 40 PHE HA H 1 . 4.3 . . 0.1 . . . . . . . . . . . 4071 1
36 3JHNHA . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA HA H 1 . 9.4 . . 0.1 . . . . . . . . . . . 4071 1
37 3JHNHA . 1 1 43 43 HIS H H 1 . . 1 1 43 43 HIS HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4071 1
38 3JHNHA . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS HA H 1 . 9.4 . . 0.1 . . . . . . . . . . . 4071 1
39 3JHNHA . 1 1 45 45 CYS H H 1 . . 1 1 45 45 CYS HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 4071 1
40 3JHNHA . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE HA H 1 . 11.3 . . 0.1 . . . . . . . . . . . 4071 1
41 3JHNHA . 1 1 47 47 CYS H H 1 . . 1 1 47 47 CYS HA H 1 . 10.7 . . 0.1 . . . . . . . . . . . 4071 1
42 3JHNHA . 1 1 48 48 TYR H H 1 . . 1 1 48 48 TYR HA H 1 . 9.9 . . 0.1 . . . . . . . . . . . 4071 1
43 3JHNHA . 1 1 49 49 PHE H H 1 . . 1 1 49 49 PHE HA H 1 . 9.7 . . 0.1 . . . . . . . . . . . 4071 1
44 3JHNHA . 1 1 51 51 CYS H H 1 . . 1 1 51 51 CYS HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4071 1
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