##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_list_1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1
_Heteronucl_NOE_list.Entry_ID 27011
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height'
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
3 '2D NOE 15N,1H correlation' . . . 27011 1
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.972 0.010 . . . . . . . . . . 27011 1
2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 -0.656 0.014 . . . . . . . . . . 27011 1
3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 -0.334 0.026 . . . . . . . . . . 27011 1
4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 -0.236 0.101 . . . . . . . . . . 27011 1
5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.103 0.070 . . . . . . . . . . 27011 1
6 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.689 0.029 . . . . . . . . . . 27011 1
7 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.720 0.025 . . . . . . . . . . 27011 1
8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.719 0.024 . . . . . . . . . . 27011 1
9 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.784 0.025 . . . . . . . . . . 27011 1
10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.702 0.020 . . . . . . . . . . 27011 1
11 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.739 0.028 . . . . . . . . . . 27011 1
12 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.731 0.021 . . . . . . . . . . 27011 1
13 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.717 0.023 . . . . . . . . . . 27011 1
14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.696 0.022 . . . . . . . . . . 27011 1
15 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.702 0.042 . . . . . . . . . . 27011 1
16 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.706 0.027 . . . . . . . . . . 27011 1
17 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.844 0.033 . . . . . . . . . . 27011 1
18 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.028 . . . . . . . . . . 27011 1
19 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.681 0.033 . . . . . . . . . . 27011 1
20 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.668 0.042 . . . . . . . . . . 27011 1
21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.694 0.027 . . . . . . . . . . 27011 1
22 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.736 0.035 . . . . . . . . . . 27011 1
23 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.721 0.027 . . . . . . . . . . 27011 1
24 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.778 0.047 . . . . . . . . . . 27011 1
25 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.046 . . . . . . . . . . 27011 1
26 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.754 0.034 . . . . . . . . . . 27011 1
27 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.738 0.030 . . . . . . . . . . 27011 1
28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.775 0.027 . . . . . . . . . . 27011 1
29 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.732 0.018 . . . . . . . . . . 27011 1
30 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.714 0.024 . . . . . . . . . . 27011 1
31 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.633 0.036 . . . . . . . . . . 27011 1
32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.691 0.021 . . . . . . . . . . 27011 1
33 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.701 0.018 . . . . . . . . . . 27011 1
34 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.709 0.023 . . . . . . . . . . 27011 1
35 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.655 0.023 . . . . . . . . . . 27011 1
36 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.515 0.025 . . . . . . . . . . 27011 1
37 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.493 0.027 . . . . . . . . . . 27011 1
38 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.640 0.034 . . . . . . . . . . 27011 1
39 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.648 0.022 . . . . . . . . . . 27011 1
40 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.697 0.027 . . . . . . . . . . 27011 1
41 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.738 0.025 . . . . . . . . . . 27011 1
42 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.665 0.018 . . . . . . . . . . 27011 1
43 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.718 0.021 . . . . . . . . . . 27011 1
44 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.732 0.024 . . . . . . . . . . 27011 1
45 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.699 0.033 . . . . . . . . . . 27011 1
46 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.809 0.019 . . . . . . . . . . 27011 1
47 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.814 0.032 . . . . . . . . . . 27011 1
48 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.861 0.025 . . . . . . . . . . 27011 1
49 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.756 0.024 . . . . . . . . . . 27011 1
50 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.746 0.044 . . . . . . . . . . 27011 1
51 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.745 0.036 . . . . . . . . . . 27011 1
52 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.736 0.026 . . . . . . . . . . 27011 1
53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.736 0.045 . . . . . . . . . . 27011 1
54 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.700 0.029 . . . . . . . . . . 27011 1
55 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.729 0.052 . . . . . . . . . . 27011 1
56 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.684 0.037 . . . . . . . . . . 27011 1
57 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.678 0.065 . . . . . . . . . . 27011 1
58 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.510 0.022 . . . . . . . . . . 27011 1
59 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.319 0.028 . . . . . . . . . . 27011 1
60 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.257 0.030 . . . . . . . . . . 27011 1
61 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.183 0.045 . . . . . . . . . . 27011 1
62 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.209 0.035 . . . . . . . . . . 27011 1
63 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.203 0.035 . . . . . . . . . . 27011 1
64 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.191 0.037 . . . . . . . . . . 27011 1
65 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.251 0.028 . . . . . . . . . . 27011 1
66 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.312 0.037 . . . . . . . . . . 27011 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_list_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2
_Heteronucl_NOE_list.Entry_ID 27011
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 850
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height'
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
3 '2D NOE 15N,1H correlation' . . . 27011 2
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.295 0.017 . . . . . . . . . . 27011 2
2 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.140 0.040 . . . . . . . . . . 27011 2
3 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.201 0.088 . . . . . . . . . . 27011 2
4 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.310 0.027 . . . . . . . . . . 27011 2
5 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.311 0.017 . . . . . . . . . . 27011 2
6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.372 0.016 . . . . . . . . . . 27011 2
7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.518 0.012 . . . . . . . . . . 27011 2
8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.686 0.023 . . . . . . . . . . 27011 2
9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.841 0.023 . . . . . . . . . . 27011 2
10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.788 0.021 . . . . . . . . . . 27011 2
11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.828 0.020 . . . . . . . . . . 27011 2
12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.825 0.016 . . . . . . . . . . 27011 2
13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.822 0.022 . . . . . . . . . . 27011 2
14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.798 0.020 . . . . . . . . . . 27011 2
15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.795 0.019 . . . . . . . . . . 27011 2
16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.807 0.017 . . . . . . . . . . 27011 2
17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.835 0.039 . . . . . . . . . . 27011 2
18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.848 0.023 . . . . . . . . . . 27011 2
19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.816 0.014 . . . . . . . . . . 27011 2
20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.764 0.033 . . . . . . . . . . 27011 2
21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.026 . . . . . . . . . . 27011 2
22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.807 0.028 . . . . . . . . . . 27011 2
23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.764 0.034 . . . . . . . . . . 27011 2
24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.789 0.020 . . . . . . . . . . 27011 2
25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.778 0.030 . . . . . . . . . . 27011 2
26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.785 0.021 . . . . . . . . . . 27011 2
27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.045 . . . . . . . . . . 27011 2
28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.040 . . . . . . . . . . 27011 2
29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.775 0.031 . . . . . . . . . . 27011 2
30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.774 0.024 . . . . . . . . . . 27011 2
31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.848 0.024 . . . . . . . . . . 27011 2
32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.797 0.015 . . . . . . . . . . 27011 2
33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.760 0.017 . . . . . . . . . . 27011 2
34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.730 0.027 . . . . . . . . . . 27011 2
35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.819 0.018 . . . . . . . . . . 27011 2
36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.743 0.015 . . . . . . . . . . 27011 2
37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.780 0.018 . . . . . . . . . . 27011 2
38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.734 0.017 . . . . . . . . . . 27011 2
39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.613 0.018 . . . . . . . . . . 27011 2
40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.621 0.019 . . . . . . . . . . 27011 2
41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.701 0.032 . . . . . . . . . . 27011 2
42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.722 0.019 . . . . . . . . . . 27011 2
43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.720 0.024 . . . . . . . . . . 27011 2
44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.745 0.022 . . . . . . . . . . 27011 2
45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.789 0.014 . . . . . . . . . . 27011 2
46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.779 0.021 . . . . . . . . . . 27011 2
47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.822 0.021 . . . . . . . . . . 27011 2
48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.799 0.033 . . . . . . . . . . 27011 2
49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.801 0.014 . . . . . . . . . . 27011 2
50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.846 0.031 . . . . . . . . . . 27011 2
51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.803 0.020 . . . . . . . . . . 27011 2
52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.824 0.022 . . . . . . . . . . 27011 2
53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.818 0.040 . . . . . . . . . . 27011 2
54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.825 0.032 . . . . . . . . . . 27011 2
55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.805 0.021 . . . . . . . . . . 27011 2
56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.813 0.040 . . . . . . . . . . 27011 2
57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.805 0.024 . . . . . . . . . . 27011 2
58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.789 0.043 . . . . . . . . . . 27011 2
59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.747 0.031 . . . . . . . . . . 27011 2
60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.803 0.060 . . . . . . . . . . 27011 2
61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.603 0.014 . . . . . . . . . . 27011 2
62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.525 0.016 . . . . . . . . . . 27011 2
63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.428 0.014 . . . . . . . . . . 27011 2
64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.418 0.015 . . . . . . . . . . 27011 2
65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.465 0.013 . . . . . . . . . . 27011 2
66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.462 0.013 . . . . . . . . . . 27011 2
67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.441 0.013 . . . . . . . . . . 27011 2
68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.480 0.012 . . . . . . . . . . 27011 2
69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.509 0.020 . . . . . . . . . . 27011 2
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_list_3
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3
_Heteronucl_NOE_list.Entry_ID 27011
_Heteronucl_NOE_list.ID 3
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 950
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height'
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
3 '2D NOE 15N,1H correlation' . . . 27011 3
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.046 0.085 . . . . . . . . . . 27011 3
2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.133 0.034 . . . . . . . . . . 27011 3
3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.293 0.017 . . . . . . . . . . 27011 3
4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.330 0.042 . . . . . . . . . . 27011 3
5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.411 0.016 . . . . . . . . . . 27011 3
6 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.413 0.012 . . . . . . . . . . 27011 3
7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.448 0.011 . . . . . . . . . . 27011 3
8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.738 0.018 . . . . . . . . . . 27011 3
9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.840 0.017 . . . . . . . . . . 27011 3
10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.809 0.016 . . . . . . . . . . 27011 3
11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.791 0.016 . . . . . . . . . . 27011 3
12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.815 0.013 . . . . . . . . . . 27011 3
13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.838 0.018 . . . . . . . . . . 27011 3
14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.803 0.014 . . . . . . . . . . 27011 3
15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.805 0.015 . . . . . . . . . . 27011 3
16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.833 0.014 . . . . . . . . . . 27011 3
17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.822 0.027 . . . . . . . . . . 27011 3
18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.845 0.018 . . . . . . . . . . 27011 3
19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.808 0.011 . . . . . . . . . . 27011 3
20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.866 0.027 . . . . . . . . . . 27011 3
21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.859 0.019 . . . . . . . . . . 27011 3
22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.867 0.021 . . . . . . . . . . 27011 3
23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.828 0.025 . . . . . . . . . . 27011 3
24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.786 0.016 . . . . . . . . . . 27011 3
25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.836 0.021 . . . . . . . . . . 27011 3
26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.804 0.017 . . . . . . . . . . 27011 3
27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.037 . . . . . . . . . . 27011 3
28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.753 0.031 . . . . . . . . . . 27011 3
29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.781 0.024 . . . . . . . . . . 27011 3
30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.845 0.018 . . . . . . . . . . 27011 3
31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.810 0.019 . . . . . . . . . . 27011 3
32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.833 0.012 . . . . . . . . . . 27011 3
33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.806 0.015 . . . . . . . . . . 27011 3
34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.733 0.021 . . . . . . . . . . 27011 3
35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.779 0.014 . . . . . . . . . . 27011 3
36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.784 0.011 . . . . . . . . . . 27011 3
37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.773 0.014 . . . . . . . . . . 27011 3
38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.740 0.013 . . . . . . . . . . 27011 3
39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.632 0.013 . . . . . . . . . . 27011 3
40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.617 0.014 . . . . . . . . . . 27011 3
41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.780 0.021 . . . . . . . . . . 27011 3
42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.758 0.015 . . . . . . . . . . 27011 3
43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.768 0.017 . . . . . . . . . . 27011 3
44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.792 0.015 . . . . . . . . . . 27011 3
45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.831 0.012 . . . . . . . . . . 27011 3
46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.827 0.017 . . . . . . . . . . 27011 3
47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.837 0.016 . . . . . . . . . . 27011 3
48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.910 0.021 . . . . . . . . . . 27011 3
49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.845 0.011 . . . . . . . . . . 27011 3
50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.867 0.021 . . . . . . . . . . 27011 3
51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.816 0.016 . . . . . . . . . . 27011 3
52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.834 0.017 . . . . . . . . . . 27011 3
53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.754 0.029 . . . . . . . . . . 27011 3
54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.839 0.025 . . . . . . . . . . 27011 3
55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.837 0.014 . . . . . . . . . . 27011 3
56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.768 0.030 . . . . . . . . . . 27011 3
57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.779 0.017 . . . . . . . . . . 27011 3
58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.825 0.030 . . . . . . . . . . 27011 3
59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.739 0.023 . . . . . . . . . . 27011 3
60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.848 0.043 . . . . . . . . . . 27011 3
61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.631 0.011 . . . . . . . . . . 27011 3
62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.562 0.013 . . . . . . . . . . 27011 3
63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.558 0.011 . . . . . . . . . . 27011 3
64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.478 0.011 . . . . . . . . . . 27011 3
65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.524 0.010 . . . . . . . . . . 27011 3
66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.519 0.009 . . . . . . . . . . 27011 3
67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.520 0.010 . . . . . . . . . . 27011 3
68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.555 0.009 . . . . . . . . . . 27011 3
69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.594 0.012 . . . . . . . . . . 27011 3
stop_
save_