Content for NMR-STAR saveframe, "J_values_1"
save_J_values_1
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode J_values_1
_Coupling_constant_list.Entry_ID 5731
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $condition_1
_Coupling_constant_list.Spectrometer_frequency_1H 600
_Coupling_constant_list.Details
;
J3HNHB and J3HAHB were only qualitatively measured
and classified as big (HNHB <-3 Hz, HAHB >9 Hz) 9..11)
or small (HNHB >-2.5Hz).
;
_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_1 . 5731 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 3 3 ASN H H 1 . . 1 1 3 3 ASN HA H 1 . 6.9 . . 1.0 . . . . . . . . . . . 5731 1
2 3JHNHA . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG HA H 1 . 6.7 . . 1.0 . . . . . . . . . . . 5731 1
3 3JHNHA . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU HA H 1 . 6.3 . . 1.0 . . . . . . . . . . . 5731 1
4 3JHNHA . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN HA H 1 . 7.3 . . 1.0 . . . . . . . . . . . 5731 1
5 3JHNHA . 1 1 7 7 PHE H H 1 . . 1 1 7 7 PHE HA H 1 . 6.8 . . 1.0 . . . . . . . . . . . 5731 1
6 3JHNHA . 1 1 8 8 HIS H H 1 . . 1 1 8 8 HIS HA H 1 . 7.7 . . 1.0 . . . . . . . . . . . 5731 1
7 3JHNHA . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR HA H 1 . 6.7 . . 1.0 . . . . . . . . . . . 5731 1
8 3JHNHA . 1 1 11 11 SER H H 1 . . 1 1 11 11 SER HA H 1 . 6.8 . . 1.0 . . . . . . . . . . . 5731 1
9 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 7.4 . . 1.0 . . . . . . . . . . . 5731 1
10 3JHNHA . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL HA H 1 . 7.6 . . 1.0 . . . . . . . . . . . 5731 1
11 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 7.9 . . 1.0 . . . . . . . . . . . 5731 1
12 3JHNHA . 1 1 15 15 TYR H H 1 . . 1 1 15 15 TYR HA H 1 . 7.0 . . 1.0 . . . . . . . . . . . 5731 1
13 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 7.2 . . 1.0 . . . . . . . . . . . 5731 1
14 3JHNHA . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER HA H 1 . 6.6 . . 1.0 . . . . . . . . . . . 5731 1
stop_
save_