########################
# Coupling constants #
########################
save_J_values_set_1
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode J_values_set_1
_Coupling_constant_list.Entry_ID 5085
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_cond_1
_Coupling_constant_list.Spectrometer_frequency_1H .
_Coupling_constant_list.Details .
_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 . 5085 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 LEU H . . . . 1 1 3 3 LEU HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5085 1
2 3JHNHA . 1 1 4 4 GLY H . . . . 1 1 4 4 GLY HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5085 1
3 3JHNHA . 1 1 5 5 SER H . . . . 1 1 5 5 SER HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5085 1
4 3JHNHA . 1 1 7 7 LEU H . . . . 1 1 7 7 LEU HA . . . 7.7 . . 0.5 . . . . . . . . . . . 5085 1
5 3JHNHA . 1 1 8 8 THR H . . . . 1 1 8 8 THR HA . . . 8.6 . . 0.5 . . . . . . . . . . . 5085 1
6 3JHNHA . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA HA . . . 2.8 . . 0.5 . . . . . . . . . . . 5085 1
7 3JHNHA . 1 1 10 10 SER H . . . . 1 1 10 10 SER HA . . . 5.0 . . 0.5 . . . . . . . . . . . 5085 1
8 3JHNHA . 1 1 11 11 MET H . . . . 1 1 11 11 MET HA . . . 5.8 . . 0.5 . . . . . . . . . . . 5085 1
9 3JHNHA . 1 1 12 12 LEU H . . . . 1 1 12 12 LEU HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5085 1
10 3JHNHA . 1 1 13 13 ALA H . . . . 1 1 13 13 ALA HA . . . 3.5 . . 0.5 . . . . . . . . . . . 5085 1
11 3JHNHA . 1 1 14 14 SER H . . . . 1 1 14 14 SER HA . . . 7.8 . . 0.5 . . . . . . . . . . . 5085 1
12 3JHNHA . 1 1 15 15 ALA H . . . . 1 1 15 15 ALA HA . . . 8.1 . . 0.5 . . . . . . . . . . . 5085 1
13 3JHNHA . 1 1 18 18 GLN H . . . . 1 1 18 18 GLN HA . . . 4.4 . . 0.5 . . . . . . . . . . . 5085 1
14 3JHNHA . 1 1 19 19 GLU H . . . . 1 1 19 19 GLU HA . . . 8.1 . . 0.5 . . . . . . . . . . . 5085 1
15 3JHNHA . 1 1 20 20 GLN H . . . . 1 1 20 20 GLN HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5085 1
16 3JHNHA . 1 1 21 21 LYS H . . . . 1 1 21 21 LYS HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5085 1
17 3JHNHA . 1 1 22 22 GLN H . . . . 1 1 22 22 GLN HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5085 1
18 3JHNHA . 1 1 23 23 MET H . . . . 1 1 23 23 MET HA . . . 3.8 . . 0.5 . . . . . . . . . . . 5085 1
19 3JHNHA . 1 1 24 24 LEU H . . . . 1 1 24 24 LEU HA . . . 3.1 . . 0.5 . . . . . . . . . . . 5085 1
20 3JHNHA . 1 1 25 25 GLY H . . . . 1 1 25 25 GLY HA . . . 6.0 . . 0.5 . . . . . . . . . . . 5085 1
21 3JHNHA . 1 1 26 26 GLU H . . . . 1 1 26 26 GLU HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5085 1
22 3JHNHA . 1 1 27 27 ARG H . . . . 1 1 27 27 ARG HA . . . 8.4 . . 0.5 . . . . . . . . . . . 5085 1
23 3JHNHA . 1 1 28 28 LEU H . . . . 1 1 28 28 LEU HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 1
24 3JHNHA . 1 1 31 31 LEU H . . . . 1 1 31 31 LEU HA . . . 6.9 . . 0.5 . . . . . . . . . . . 5085 1
25 3JHNHA . 1 1 32 32 ILE H . . . . 1 1 32 32 ILE HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5085 1
26 3JHNHA . 1 1 33 33 GLN H . . . . 1 1 33 33 GLN HA . . . 3.2 . . 0.5 . . . . . . . . . . . 5085 1
27 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5085 1
28 3JHNHA . 1 1 35 35 MET H . . . . 1 1 35 35 MET HA . . . 9.2 . . 0.5 . . . . . . . . . . . 5085 1
29 3JHNHA . 1 1 36 36 HIS H . . . . 1 1 36 36 HIS HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5085 1
30 3JHNHA . 1 1 38 38 THR H . . . . 1 1 38 38 THR HA . . . 7.5 . . 0.5 . . . . . . . . . . . 5085 1
31 3JHNHA . 1 1 39 39 LEU H . . . . 1 1 39 39 LEU HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5085 1
32 3JHNHA . 1 1 42 42 LYS H . . . . 1 1 42 42 LYS HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5085 1
33 3JHNHA . 1 1 43 43 ILE H . . . . 1 1 43 43 ILE HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5085 1
34 3JHNHA . 1 1 44 44 THR H . . . . 1 1 44 44 THR HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5085 1
35 3JHNHA . 1 1 45 45 GLY H . . . . 1 1 45 45 GLY HA . . . 3.8 . . 0.5 . . . . . . . . . . . 5085 1
36 3JHNHA . 1 1 46 46 MET H . . . . 1 1 46 46 MET HA . . . 4.7 . . 0.5 . . . . . . . . . . . 5085 1
37 3JHNHA . 1 1 47 47 LEU H . . . . 1 1 47 47 LEU HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 1
38 3JHNHA . 1 1 48 48 LEU H . . . . 1 1 48 48 LEU HA . . . 3.5 . . 0.5 . . . . . . . . . . . 5085 1
39 3JHNHA . 1 1 49 49 GLU H . . . . 1 1 49 49 GLU HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5085 1
40 3JHNHA . 1 1 50 50 ILE H . . . . 1 1 50 50 ILE HA . . . 8.0 . . 0.5 . . . . . . . . . . . 5085 1
41 3JHNHA . 1 1 51 51 ASP H . . . . 1 1 51 51 ASP HA . . . 4.1 . . 0.5 . . . . . . . . . . . 5085 1
42 3JHNHA . 1 1 53 53 SER H . . . . 1 1 53 53 SER HA . . . 4.4 . . 0.5 . . . . . . . . . . . 5085 1
43 3JHNHA . 1 1 54 54 GLU H . . . . 1 1 54 54 GLU HA . . . 7.2 . . 0.5 . . . . . . . . . . . 5085 1
44 3JHNHA . 1 1 55 55 LEU H . . . . 1 1 55 55 LEU HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 1
45 3JHNHA . 1 1 56 56 LEU H . . . . 1 1 56 56 LEU HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5085 1
46 3JHNHA . 1 1 57 57 HIS H . . . . 1 1 57 57 HIS HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5085 1
47 3JHNHA . 1 1 58 58 MET H . . . . 1 1 58 58 MET HA . . . 4.7 . . 0.5 . . . . . . . . . . . 5085 1
48 3JHNHA . 1 1 59 59 LEU H . . . . 1 1 59 59 LEU HA . . . 5.4 . . 0.5 . . . . . . . . . . . 5085 1
49 3JHNHA . 1 1 60 60 GLU H . . . . 1 1 60 60 GLU HA . . . 8.3 . . 0.5 . . . . . . . . . . . 5085 1
50 3JHNHA . 1 1 61 61 SER H . . . . 1 1 61 61 SER HA . . . 9.1 . . 0.5 . . . . . . . . . . . 5085 1
51 3JHNHA . 1 1 63 63 GLU H . . . . 1 1 63 63 GLU HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5085 1
52 3JHNHA . 1 1 64 64 SER H . . . . 1 1 64 64 SER HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5085 1
53 3JHNHA . 1 1 65 65 LEU H . . . . 1 1 65 65 LEU HA . . . 5.0 . . 0.5 . . . . . . . . . . . 5085 1
54 3JHNHA . 1 1 66 66 ARG H . . . . 1 1 66 66 ARG HA . . . 3.1 . . 0.5 . . . . . . . . . . . 5085 1
55 3JHNHA . 1 1 67 67 SER H . . . . 1 1 67 67 SER HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5085 1
56 3JHNHA . 1 1 68 68 LYS H . . . . 1 1 68 68 LYS HA . . . 6.1 . . 0.5 . . . . . . . . . . . 5085 1
57 3JHNHA . 1 1 69 69 VAL H . . . . 1 1 69 69 VAL HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5085 1
58 3JHNHA . 1 1 70 70 ASP H . . . . 1 1 70 70 ASP HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5085 1
59 3JHNHA . 1 1 71 71 GLU H . . . . 1 1 71 71 GLU HA . . . 3.8 . . 0.5 . . . . . . . . . . . 5085 1
60 3JHNHA . 1 1 72 72 ALA H . . . . 1 1 72 72 ALA HA . . . 3.5 . . 0.5 . . . . . . . . . . . 5085 1
61 3JHNHA . 1 1 73 73 VAL H . . . . 1 1 73 73 VAL HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5085 1
62 3JHNHA . 1 1 74 74 ALA H . . . . 1 1 74 74 ALA HA . . . 4.4 . . 0.5 . . . . . . . . . . . 5085 1
63 3JHNHA . 1 1 75 75 VAL H . . . . 1 1 75 75 VAL HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5085 1
64 3JHNHA . 1 1 76 76 LEU H . . . . 1 1 76 76 LEU HA . . . 4.1 . . 0.5 . . . . . . . . . . . 5085 1
65 3JHNHA . 1 1 77 77 GLN H . . . . 1 1 77 77 GLN HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5085 1
66 3JHNHA . 1 1 78 78 ALA H . . . . 1 1 78 78 ALA HA . . . 5.3 . . 0.5 . . . . . . . . . . . 5085 1
67 3JHNHA . 1 1 79 79 HIS H . . . . 1 1 79 79 HIS HA . . . 5.1 . . 0.5 . . . . . . . . . . . 5085 1
68 3JHNHA . 1 1 80 80 GLN H . . . . 1 1 80 80 GLN HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5085 1
69 3JHNHA . 1 1 81 81 ALA H . . . . 1 1 81 81 ALA HA . . . 5.1 . . 0.5 . . . . . . . . . . . 5085 1
70 3JHNHA . 1 1 82 82 LYS H . . . . 1 1 82 82 LYS HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 1
71 3JHNHA . 1 1 83 83 GLU H . . . . 1 1 83 83 GLU HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5085 1
72 3JHNHA . 1 1 84 84 ALA H . . . . 1 1 84 84 ALA HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 1
73 3JHNHA . 1 1 85 85 ALA H . . . . 1 1 85 85 ALA HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5085 1
74 3JHNHA . 1 1 86 86 GLN H . . . . 1 1 86 86 GLN HA . . . 6.9 . . 0.5 . . . . . . . . . . . 5085 1
75 3JHNHA . 1 1 87 87 LYS H . . . . 1 1 87 87 LYS HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5085 1
76 3JHNHA . 1 1 88 88 ALA H . . . . 1 1 88 88 ALA HA . . . 6.5 . . 0.5 . . . . . . . . . . . 5085 1
77 3JHNHA . 1 1 89 89 VAL H . . . . 1 1 89 89 VAL HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5085 1
78 3JHNHA . 1 1 90 90 ASN H . . . . 1 1 90 90 ASN HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5085 1
79 3JHNHA . 1 1 91 91 SER H . . . . 1 1 91 91 SER HA . . . 7.2 . . 0.5 . . . . . . . . . . . 5085 1
80 3JHNHA . 1 1 92 92 ALA H . . . . 1 1 92 92 ALA HA . . . 6.2 . . 0.5 . . . . . . . . . . . 5085 1
81 3JHNHA . 1 1 93 93 THR H . . . . 1 1 93 93 THR HA . . . 8.9 . . 0.5 . . . . . . . . . . . 5085 1
82 3JHNHA . 1 1 94 94 GLY H . . . . 1 1 94 94 GLY HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5085 1
83 3JHNHA . 1 1 95 95 VAL H . . . . 1 1 95 95 VAL HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5085 1
84 3JHNHA . 1 1 97 97 THR H . . . . 1 1 97 97 THR HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5085 1
85 3JHNHA . 1 1 98 98 VAL H . . . . 1 1 98 98 VAL HA . . . 9.8 . . 0.5 . . . . . . . . . . . 5085 1
stop_
save_
########################
# Coupling constants #
########################
save_J_values_set_2
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode J_values_set_2
_Coupling_constant_list.Entry_ID 5085
_Coupling_constant_list.ID 2
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_cond_1
_Coupling_constant_list.Spectrometer_frequency_1H .
_Coupling_constant_list.Details .
_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 . 5085 2
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 . 2 2 4 4 SER H . . . . 2 2 4 4 SER HA . . . 6.9 . . 0.5 . . . . . . . . . . . 5085 2
2 3JHNHA . 2 2 5 5 ASN H . . . . 2 2 5 5 ASN HA . . . 9.4 . . 0.5 . . . . . . . . . . . 5085 2
3 3JHNHA . 2 2 6 6 LEU H . . . . 2 2 6 6 LEU HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5085 2
4 3JHNHA . 2 2 7 7 ASN H . . . . 2 2 7 7 ASN HA . . . 7.0 . . 0.5 . . . . . . . . . . . 5085 2
5 3JHNHA . 2 2 9 9 ASN H . . . . 2 2 9 9 ASN HA . . . 9.3 . . 0.5 . . . . . . . . . . . 5085 2
6 3JHNHA . 2 2 10 10 ALA H . . . . 2 2 10 10 ALA HA . . . 2.8 . . 0.5 . . . . . . . . . . . 5085 2
7 3JHNHA . 2 2 12 12 GLU H . . . . 2 2 12 12 GLU HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5085 2
8 3JHNHA . 2 2 13 13 PHE H . . . . 2 2 13 13 PHE HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5085 2
9 3JHNHA . 2 2 14 14 VAL H . . . . 2 2 14 14 VAL HA . . . 9.5 . . 0.5 . . . . . . . . . . . 5085 2
10 3JHNHA . 2 2 16 16 GLY H . . . . 2 2 16 16 GLY HA . . . 6.7 . . 0.5 . . . . . . . . . . . 5085 2
11 3JHNHA . 2 2 17 17 VAL H . . . . 2 2 17 17 VAL HA . . . 9.0 . . 0.5 . . . . . . . . . . . 5085 2
12 3JHNHA . 2 2 18 18 LYS H . . . . 2 2 18 18 LYS HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5085 2
13 3JHNHA . 2 2 19 19 TYR H . . . . 2 2 19 19 TYR HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5085 2
14 3JHNHA . 2 2 20 20 GLY H . . . . 2 2 20 20 GLY HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5085 2
15 3JHNHA . 2 2 21 21 ASN H . . . . 2 2 21 21 ASN HA . . . 8.1 . . 0.5 . . . . . . . . . . . 5085 2
16 3JHNHA . 2 2 22 22 ILE H . . . . 2 2 22 22 ILE HA . . . 9.4 . . 0.5 . . . . . . . . . . . 5085 2
stop_
save_