##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_750_TRP_NE1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_TRP_NE1
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 750
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.840 0.050 . . . . . . . . . . 4267 1
2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.657 0.050 . . . . . . . . . . 4267 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_750_ARG_NE
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_ARG_NE
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 750
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.657 0.106 . . . . . . . . . . 4267 2
2 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -0.712 0.077 . . . . . . . . . . 4267 2
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_750_other
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_other
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 3
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 750
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.256 0.050 . . . . . . . . . . 4267 3
2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 0.024 0.050 . . . . . . . . . . 4267 3
3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.268 0.050 . . . . . . . . . . 4267 3
4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 0.290 0.050 . . . . . . . . . . 4267 3
5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.410 0.050 . . . . . . . . . . 4267 3
6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.437 0.050 . . . . . . . . . . 4267 3
7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.719 0.050 . . . . . . . . . . 4267 3
8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.788 0.050 . . . . . . . . . . 4267 3
9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.778 0.050 . . . . . . . . . . 4267 3
10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.840 0.050 . . . . . . . . . . 4267 3
11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.840 0.050 . . . . . . . . . . 4267 3
12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.817 0.050 . . . . . . . . . . 4267 3
13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.817 0.050 . . . . . . . . . . 4267 3
14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.837 0.050 . . . . . . . . . . 4267 3
15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.804 0.050 . . . . . . . . . . 4267 3
16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.816 0.050 . . . . . . . . . . 4267 3
17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.813 0.050 . . . . . . . . . . 4267 3
18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.860 0.050 . . . . . . . . . . 4267 3
19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.845 0.050 . . . . . . . . . . 4267 3
20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.859 0.050 . . . . . . . . . . 4267 3
21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.821 0.050 . . . . . . . . . . 4267 3
22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.861 0.050 . . . . . . . . . . 4267 3
23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.839 0.050 . . . . . . . . . . 4267 3
24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.876 0.050 . . . . . . . . . . 4267 3
25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3
26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.844 0.050 . . . . . . . . . . 4267 3
27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.868 0.050 . . . . . . . . . . 4267 3
28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.808 0.050 . . . . . . . . . . 4267 3
29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.866 0.059 . . . . . . . . . . 4267 3
30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.855 0.050 . . . . . . . . . . 4267 3
31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.824 0.050 . . . . . . . . . . 4267 3
32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.863 0.050 . . . . . . . . . . 4267 3
33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.852 0.050 . . . . . . . . . . 4267 3
34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.864 0.050 . . . . . . . . . . 4267 3
35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.861 0.050 . . . . . . . . . . 4267 3
36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.775 0.050 . . . . . . . . . . 4267 3
37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.828 0.050 . . . . . . . . . . 4267 3
38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.492 0.064 . . . . . . . . . . 4267 3
39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.462 0.054 . . . . . . . . . . 4267 3
40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.849 0.086 . . . . . . . . . . 4267 3
41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.845 0.087 . . . . . . . . . . 4267 3
42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.809 0.050 . . . . . . . . . . 4267 3
43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.849 0.050 . . . . . . . . . . 4267 3
44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.870 0.055 . . . . . . . . . . 4267 3
45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.875 0.050 . . . . . . . . . . 4267 3
46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.823 0.050 . . . . . . . . . . 4267 3
47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.828 0.050 . . . . . . . . . . 4267 3
48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.799 0.050 . . . . . . . . . . 4267 3
49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.800 0.050 . . . . . . . . . . 4267 3
50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.821 0.050 . . . . . . . . . . 4267 3
51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3
52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.843 0.050 . . . . . . . . . . 4267 3
53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.844 0.050 . . . . . . . . . . 4267 3
54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.814 0.050 . . . . . . . . . . 4267 3
55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.889 0.050 . . . . . . . . . . 4267 3
56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.783 0.052 . . . . . . . . . . 4267 3
57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.811 0.050 . . . . . . . . . . 4267 3
58 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.762 0.060 . . . . . . . . . . 4267 3
59 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.707 0.050 . . . . . . . . . . 4267 3
60 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 3
61 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.692 0.050 . . . . . . . . . . 4267 3
62 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.777 0.050 . . . . . . . . . . 4267 3
63 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.815 0.050 . . . . . . . . . . 4267 3
64 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.822 0.050 . . . . . . . . . . 4267 3
65 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.807 0.050 . . . . . . . . . . 4267 3
66 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.813 0.050 . . . . . . . . . . 4267 3
67 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 3
68 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.806 0.050 . . . . . . . . . . 4267 3
69 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.826 0.050 . . . . . . . . . . 4267 3
70 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.613 0.050 . . . . . . . . . . 4267 3
71 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3
72 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.829 0.050 . . . . . . . . . . 4267 3
73 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.824 0.050 . . . . . . . . . . 4267 3
74 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.773 0.050 . . . . . . . . . . 4267 3
75 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.823 0.050 . . . . . . . . . . 4267 3
76 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.813 0.050 . . . . . . . . . . 4267 3
77 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.833 0.050 . . . . . . . . . . 4267 3
78 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 3
79 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.786 0.050 . . . . . . . . . . 4267 3
80 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 3
81 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.725 0.050 . . . . . . . . . . 4267 3
82 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.800 0.050 . . . . . . . . . . 4267 3
83 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.751 0.050 . . . . . . . . . . 4267 3
84 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.795 0.050 . . . . . . . . . . 4267 3
85 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.860 0.050 . . . . . . . . . . 4267 3
86 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.852 0.050 . . . . . . . . . . 4267 3
87 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 3
88 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.876 0.050 . . . . . . . . . . 4267 3
89 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.868 0.050 . . . . . . . . . . 4267 3
90 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.858 0.050 . . . . . . . . . . 4267 3
91 . 1 1 114 114 THR H H 1 . 1 1 114 114 THR N N 15 0.840 0.050 . . . . . . . . . . 4267 3
92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.861 0.050 . . . . . . . . . . 4267 3
93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.916 0.051 . . . . . . . . . . 4267 3
94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.889 0.050 . . . . . . . . . . 4267 3
95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.876 0.050 . . . . . . . . . . 4267 3
96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.840 0.050 . . . . . . . . . . 4267 3
97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.879 0.050 . . . . . . . . . . 4267 3
98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.914 0.050 . . . . . . . . . . 4267 3
99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.887 0.050 . . . . . . . . . . 4267 3
100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.873 0.050 . . . . . . . . . . 4267 3
101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3
102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.879 0.050 . . . . . . . . . . 4267 3
103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3
104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 3
105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 3
106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.755 0.050 . . . . . . . . . . 4267 3
107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 3
108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.781 0.050 . . . . . . . . . . 4267 3
109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.806 0.050 . . . . . . . . . . 4267 3
110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.846 0.050 . . . . . . . . . . 4267 3
111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.840 0.050 . . . . . . . . . . 4267 3
112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.852 0.050 . . . . . . . . . . 4267 3
113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.850 0.050 . . . . . . . . . . 4267 3
114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.870 0.050 . . . . . . . . . . 4267 3
115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.854 0.050 . . . . . . . . . . 4267 3
116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.824 0.050 . . . . . . . . . . 4267 3
117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.847 0.050 . . . . . . . . . . 4267 3
118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 3
119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 3
120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.665 0.050 . . . . . . . . . . 4267 3
121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.712 0.050 . . . . . . . . . . 4267 3
122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.832 0.050 . . . . . . . . . . 4267 3
123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3
124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.756 0.050 . . . . . . . . . . 4267 3
125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.843 0.050 . . . . . . . . . . 4267 3
126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.872 0.050 . . . . . . . . . . 4267 3
127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.822 0.050 . . . . . . . . . . 4267 3
128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.830 0.050 . . . . . . . . . . 4267 3
129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.861 0.050 . . . . . . . . . . 4267 3
130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.874 0.050 . . . . . . . . . . 4267 3
131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.779 0.050 . . . . . . . . . . 4267 3
132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.831 0.050 . . . . . . . . . . 4267 3
133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.890 0.050 . . . . . . . . . . 4267 3
134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.837 0.050 . . . . . . . . . . 4267 3
135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.828 0.050 . . . . . . . . . . 4267 3
136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.842 0.050 . . . . . . . . . . 4267 3
137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.801 0.050 . . . . . . . . . . 4267 3
138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.844 0.050 . . . . . . . . . . 4267 3
139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.805 0.050 . . . . . . . . . . 4267 3
140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.836 0.050 . . . . . . . . . . 4267 3
141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.829 0.050 . . . . . . . . . . 4267 3
142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.847 0.155 . . . . . . . . . . 4267 3
143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.558 0.050 . . . . . . . . . . 4267 3
144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.830 0.060 . . . . . . . . . . 4267 3
145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.707 0.050 . . . . . . . . . . 4267 3
146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 0.234 0.050 . . . . . . . . . . 4267 3
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_600_TRP_NE1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_TRP_NE1
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 4
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.868 0.050 . . . . . . . . . . 4267 4
2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.645 0.050 . . . . . . . . . . 4267 4
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_600_ARG_NE
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_ARG_NE
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 5
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.572 0.111 . . . . . . . . . . 4267 5
2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.634 0.065 . . . . . . . . . . 4267 5
3 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -1.115 0.094 . . . . . . . . . . 4267 5
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_600
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 6
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.952 0.050 . . . . . . . . . . 4267 6
2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.086 0.050 . . . . . . . . . . 4267 6
3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.176 0.050 . . . . . . . . . . 4267 6
4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.115 0.050 . . . . . . . . . . 4267 6
5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.062 0.050 . . . . . . . . . . 4267 6
6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.493 0.050 . . . . . . . . . . 4267 6
7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.706 0.050 . . . . . . . . . . 4267 6
8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.839 0.050 . . . . . . . . . . 4267 6
9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.777 0.050 . . . . . . . . . . 4267 6
10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 6
11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 6
12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.812 0.050 . . . . . . . . . . 4267 6
13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.784 0.050 . . . . . . . . . . 4267 6
14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.752 0.050 . . . . . . . . . . 4267 6
15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.737 0.050 . . . . . . . . . . 4267 6
16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.725 0.050 . . . . . . . . . . 4267 6
17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.831 0.050 . . . . . . . . . . 4267 6
18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.724 0.054 . . . . . . . . . . 4267 6
19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.837 0.050 . . . . . . . . . . 4267 6
20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.807 0.050 . . . . . . . . . . 4267 6
21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.763 0.050 . . . . . . . . . . 4267 6
22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 6
23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.784 0.050 . . . . . . . . . . 4267 6
24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.778 0.052 . . . . . . . . . . 4267 6
25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.743 0.050 . . . . . . . . . . 4267 6
26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.824 0.054 . . . . . . . . . . 4267 6
27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.842 0.051 . . . . . . . . . . 4267 6
28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.864 0.065 . . . . . . . . . . 4267 6
29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.869 0.093 . . . . . . . . . . 4267 6
30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.807 0.055 . . . . . . . . . . 4267 6
31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.791 0.050 . . . . . . . . . . 4267 6
32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.916 0.050 . . . . . . . . . . 4267 6
33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.769 0.050 . . . . . . . . . . 4267 6
34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.832 0.050 . . . . . . . . . . 4267 6
35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.849 0.054 . . . . . . . . . . 4267 6
36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.808 0.052 . . . . . . . . . . 4267 6
37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.649 0.050 . . . . . . . . . . 4267 6
38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.537 0.070 . . . . . . . . . . 4267 6
39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.407 0.057 . . . . . . . . . . 4267 6
40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.879 0.107 . . . . . . . . . . 4267 6
41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.849 0.139 . . . . . . . . . . 4267 6
42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.807 0.058 . . . . . . . . . . 4267 6
43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.803 0.050 . . . . . . . . . . 4267 6
44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.788 0.076 . . . . . . . . . . 4267 6
45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.901 0.058 . . . . . . . . . . 4267 6
46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.861 0.050 . . . . . . . . . . 4267 6
47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.839 0.050 . . . . . . . . . . 4267 6
48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.822 0.050 . . . . . . . . . . 4267 6
49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.775 0.050 . . . . . . . . . . 4267 6
50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.778 0.050 . . . . . . . . . . 4267 6
51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.757 0.050 . . . . . . . . . . 4267 6
52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.790 0.050 . . . . . . . . . . 4267 6
53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.880 0.050 . . . . . . . . . . 4267 6
54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 6
55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.951 0.066 . . . . . . . . . . 4267 6
56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.930 0.084 . . . . . . . . . . 4267 6
57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.818 0.062 . . . . . . . . . . 4267 6
58 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.724 0.050 . . . . . . . . . . 4267 6
59 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.658 0.063 . . . . . . . . . . 4267 6
60 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.607 0.050 . . . . . . . . . . 4267 6
61 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.617 0.050 . . . . . . . . . . 4267 6
62 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.758 0.050 . . . . . . . . . . 4267 6
63 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.774 0.054 . . . . . . . . . . 4267 6
64 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.767 0.050 . . . . . . . . . . 4267 6
65 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.852 0.056 . . . . . . . . . . 4267 6
66 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.832 0.069 . . . . . . . . . . 4267 6
67 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.762 0.050 . . . . . . . . . . 4267 6
68 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.805 0.054 . . . . . . . . . . 4267 6
69 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.740 0.066 . . . . . . . . . . 4267 6
70 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.772 0.050 . . . . . . . . . . 4267 6
71 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.635 0.050 . . . . . . . . . . 4267 6
72 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 6
73 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.676 0.050 . . . . . . . . . . 4267 6
74 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.750 0.050 . . . . . . . . . . 4267 6
75 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.869 0.057 . . . . . . . . . . 4267 6
76 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.833 0.078 . . . . . . . . . . 4267 6
77 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 6
78 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.849 0.050 . . . . . . . . . . 4267 6
79 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.718 0.050 . . . . . . . . . . 4267 6
80 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.773 0.050 . . . . . . . . . . 4267 6
81 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.699 0.050 . . . . . . . . . . 4267 6
82 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.588 0.050 . . . . . . . . . . 4267 6
83 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.661 0.050 . . . . . . . . . . 4267 6
84 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.722 0.057 . . . . . . . . . . 4267 6
85 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.867 0.050 . . . . . . . . . . 4267 6
86 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 6
87 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.806 0.053 . . . . . . . . . . 4267 6
88 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.793 0.052 . . . . . . . . . . 4267 6
89 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.858 0.050 . . . . . . . . . . 4267 6
90 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.822 0.064 . . . . . . . . . . 4267 6
91 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.841 0.050 . . . . . . . . . . 4267 6
92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.900 0.054 . . . . . . . . . . 4267 6
93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.839 0.074 . . . . . . . . . . 4267 6
94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.868 0.050 . . . . . . . . . . 4267 6
95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.874 0.050 . . . . . . . . . . 4267 6
96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.872 0.050 . . . . . . . . . . 4267 6
97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.779 0.050 . . . . . . . . . . 4267 6
98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.819 0.060 . . . . . . . . . . 4267 6
99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.901 0.073 . . . . . . . . . . 4267 6
100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.803 0.050 . . . . . . . . . . 4267 6
101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.763 0.050 . . . . . . . . . . 4267 6
102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.727 0.053 . . . . . . . . . . 4267 6
103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.709 0.050 . . . . . . . . . . 4267 6
104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.759 0.050 . . . . . . . . . . 4267 6
105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.732 0.050 . . . . . . . . . . 4267 6
106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.631 0.050 . . . . . . . . . . 4267 6
107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.798 0.050 . . . . . . . . . . 4267 6
108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.811 0.058 . . . . . . . . . . 4267 6
109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.726 0.050 . . . . . . . . . . 4267 6
110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.716 0.050 . . . . . . . . . . 4267 6
111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.725 0.051 . . . . . . . . . . 4267 6
112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.729 0.065 . . . . . . . . . . 4267 6
113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.831 0.053 . . . . . . . . . . 4267 6
114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.823 0.053 . . . . . . . . . . 4267 6
115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.835 0.059 . . . . . . . . . . 4267 6
116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.776 0.052 . . . . . . . . . . 4267 6
117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.758 0.050 . . . . . . . . . . 4267 6
118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.861 0.055 . . . . . . . . . . 4267 6
119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.688 0.050 . . . . . . . . . . 4267 6
120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.600 0.100 . . . . . . . . . . 4267 6
121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.721 0.050 . . . . . . . . . . 4267 6
122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.791 0.050 . . . . . . . . . . 4267 6
123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.939 0.050 . . . . . . . . . . 4267 6
124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.786 0.050 . . . . . . . . . . 4267 6
125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.881 0.050 . . . . . . . . . . 4267 6
126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.782 0.050 . . . . . . . . . . 4267 6
127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.881 0.050 . . . . . . . . . . 4267 6
128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.867 0.050 . . . . . . . . . . 4267 6
129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.910 0.050 . . . . . . . . . . 4267 6
130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 6
131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.820 0.050 . . . . . . . . . . 4267 6
132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.783 0.050 . . . . . . . . . . 4267 6
133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.893 0.050 . . . . . . . . . . 4267 6
134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.821 0.050 . . . . . . . . . . 4267 6
135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.904 0.050 . . . . . . . . . . 4267 6
136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.833 0.050 . . . . . . . . . . 4267 6
137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.776 0.050 . . . . . . . . . . 4267 6
138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.846 0.050 . . . . . . . . . . 4267 6
139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.747 0.050 . . . . . . . . . . 4267 6
140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.702 0.050 . . . . . . . . . . 4267 6
141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.737 0.050 . . . . . . . . . . 4267 6
142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.992 0.221 . . . . . . . . . . 4267 6
143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.617 0.061 . . . . . . . . . . 4267 6
144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.871 0.084 . . . . . . . . . . 4267 6
145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.682 0.050 . . . . . . . . . . 4267 6
146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.145 0.050 . . . . . . . . . . 4267 6
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_500_TRP_NE1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_TRP_NE1
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 7
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.841 0.050 . . . . . . . . . . 4267 7
2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.576 0.050 . . . . . . . . . . 4267 7
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_500_ARG_NE
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_ARG_NE
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 8
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.652 0.102 . . . . . . . . . . 4267 8
2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.766 0.080 . . . . . . . . . . 4267 8
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_NOE_500
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500
_Heteronucl_NOE_list.Entry_ID 4267
_Heteronucl_NOE_list.ID 9
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all
_Heteronucl_NOE_list.Spectrometer_frequency_1H 500
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description 'internal reference'
_Heteronucl_NOE_list.Details
;
N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback.
Reference experiment (i.e. no presat.) interleaved with acquisition. 500 MHz.
Minimum error assumed to be 0.05.
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
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 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.651 0.183 . . . . . . . . . . 4267 9
2 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 -0.354 0.087 . . . . . . . . . . 4267 9
3 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.052 0.052 . . . . . . . . . . 4267 9
4 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.112 0.050 . . . . . . . . . . 4267 9
5 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.310 0.050 . . . . . . . . . . 4267 9
6 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.627 0.064 . . . . . . . . . . 4267 9
7 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.740 0.050 . . . . . . . . . . 4267 9
8 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.722 0.050 . . . . . . . . . . 4267 9
9 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.775 0.050 . . . . . . . . . . 4267 9
10 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.758 0.050 . . . . . . . . . . 4267 9
11 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.807 0.050 . . . . . . . . . . 4267 9
12 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.753 0.050 . . . . . . . . . . 4267 9
13 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.850 0.056 . . . . . . . . . . 4267 9
14 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.799 0.050 . . . . . . . . . . 4267 9
15 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.774 0.050 . . . . . . . . . . 4267 9
16 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.793 0.064 . . . . . . . . . . 4267 9
17 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.830 0.050 . . . . . . . . . . 4267 9
18 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.838 0.050 . . . . . . . . . . 4267 9
19 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.770 0.050 . . . . . . . . . . 4267 9
20 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.809 0.050 . . . . . . . . . . 4267 9
21 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 9
22 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.863 0.064 . . . . . . . . . . 4267 9
23 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 9
24 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.813 0.056 . . . . . . . . . . 4267 9
25 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.807 0.061 . . . . . . . . . . 4267 9
26 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.813 0.074 . . . . . . . . . . 4267 9
27 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.798 0.104 . . . . . . . . . . 4267 9
28 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.812 0.059 . . . . . . . . . . 4267 9
29 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.802 0.055 . . . . . . . . . . 4267 9
30 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.779 0.051 . . . . . . . . . . 4267 9
31 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.708 0.064 . . . . . . . . . . 4267 9
32 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.853 0.066 . . . . . . . . . . 4267 9
33 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.734 0.089 . . . . . . . . . . 4267 9
34 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.709 0.136 . . . . . . . . . . 4267 9
35 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.452 0.122 . . . . . . . . . . 4267 9
36 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.774 0.065 . . . . . . . . . . 4267 9
37 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.716 0.130 . . . . . . . . . . 4267 9
38 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.637 0.140 . . . . . . . . . . 4267 9
39 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.842 0.067 . . . . . . . . . . 4267 9
40 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.856 0.072 . . . . . . . . . . 4267 9
41 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.813 0.100 . . . . . . . . . . 4267 9
42 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.753 0.064 . . . . . . . . . . 4267 9
43 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.828 0.050 . . . . . . . . . . 4267 9
44 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.747 0.055 . . . . . . . . . . 4267 9
45 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.728 0.065 . . . . . . . . . . 4267 9
46 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.758 0.050 . . . . . . . . . . 4267 9
47 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.772 0.050 . . . . . . . . . . 4267 9
48 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.739 0.050 . . . . . . . . . . 4267 9
49 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.776 0.054 . . . . . . . . . . 4267 9
50 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.883 0.061 . . . . . . . . . . 4267 9
51 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.829 0.055 . . . . . . . . . . 4267 9
52 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.856 0.074 . . . . . . . . . . 4267 9
53 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.901 0.114 . . . . . . . . . . 4267 9
54 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.732 0.067 . . . . . . . . . . 4267 9
55 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.765 0.050 . . . . . . . . . . 4267 9
56 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.677 0.050 . . . . . . . . . . 4267 9
57 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.696 0.053 . . . . . . . . . . 4267 9
58 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.781 0.070 . . . . . . . . . . 4267 9
59 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.733 0.050 . . . . . . . . . . 4267 9
60 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.878 0.062 . . . . . . . . . . 4267 9
61 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.718 0.074 . . . . . . . . . . 4267 9
62 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.777 0.063 . . . . . . . . . . 4267 9
63 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.766 0.064 . . . . . . . . . . 4267 9
64 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.731 0.074 . . . . . . . . . . 4267 9
65 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.820 0.050 . . . . . . . . . . 4267 9
66 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.553 0.050 . . . . . . . . . . 4267 9
67 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.796 0.050 . . . . . . . . . . 4267 9
68 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.730 0.050 . . . . . . . . . . 4267 9
69 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.782 0.062 . . . . . . . . . . 4267 9
70 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.865 0.065 . . . . . . . . . . 4267 9
71 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.712 0.080 . . . . . . . . . . 4267 9
72 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.862 0.106 . . . . . . . . . . 4267 9
73 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.770 0.050 . . . . . . . . . . 4267 9
74 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.726 0.050 . . . . . . . . . . 4267 9
75 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.823 0.050 . . . . . . . . . . 4267 9
76 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.755 0.050 . . . . . . . . . . 4267 9
77 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.896 0.254 . . . . . . . . . . 4267 9
78 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.719 0.050 . . . . . . . . . . 4267 9
79 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.764 0.060 . . . . . . . . . . 4267 9
80 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.776 0.050 . . . . . . . . . . 4267 9
81 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.766 0.053 . . . . . . . . . . 4267 9
82 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.765 0.063 . . . . . . . . . . 4267 9
83 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.785 0.055 . . . . . . . . . . 4267 9
84 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.784 0.050 . . . . . . . . . . 4267 9
85 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.896 0.077 . . . . . . . . . . 4267 9
86 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.818 0.050 . . . . . . . . . . 4267 9
87 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.778 0.059 . . . . . . . . . . 4267 9
88 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.797 0.080 . . . . . . . . . . 4267 9
89 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.829 0.050 . . . . . . . . . . 4267 9
90 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.845 0.051 . . . . . . . . . . 4267 9
91 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.881 0.068 . . . . . . . . . . 4267 9
92 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.851 0.050 . . . . . . . . . . 4267 9
93 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.886 0.074 . . . . . . . . . . 4267 9
94 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.815 0.077 . . . . . . . . . . 4267 9
95 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.840 0.050 . . . . . . . . . . 4267 9
96 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.819 0.050 . . . . . . . . . . 4267 9
97 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.854 0.073 . . . . . . . . . . 4267 9
98 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.782 0.051 . . . . . . . . . . 4267 9
99 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.826 0.083 . . . . . . . . . . 4267 9
100 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.707 0.050 . . . . . . . . . . 4267 9
101 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.689 0.050 . . . . . . . . . . 4267 9
102 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 9
103 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.742 0.067 . . . . . . . . . . 4267 9
104 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 9
105 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.841 0.050 . . . . . . . . . . 4267 9
106 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.845 0.068 . . . . . . . . . . 4267 9
107 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.799 0.080 . . . . . . . . . . 4267 9
108 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.903 0.073 . . . . . . . . . . 4267 9
109 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.795 0.059 . . . . . . . . . . 4267 9
110 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.763 0.063 . . . . . . . . . . 4267 9
111 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.861 0.062 . . . . . . . . . . 4267 9
112 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.830 0.050 . . . . . . . . . . 4267 9
113 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.752 0.057 . . . . . . . . . . 4267 9
114 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.680 0.050 . . . . . . . . . . 4267 9
115 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.622 0.050 . . . . . . . . . . 4267 9
116 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.831 0.050 . . . . . . . . . . 4267 9
117 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.761 0.050 . . . . . . . . . . 4267 9
118 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.785 0.050 . . . . . . . . . . 4267 9
119 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.827 0.050 . . . . . . . . . . 4267 9
120 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.799 0.050 . . . . . . . . . . 4267 9
121 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.790 0.050 . . . . . . . . . . 4267 9
122 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.819 0.050 . . . . . . . . . . 4267 9
123 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 9
124 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 9
125 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.826 0.050 . . . . . . . . . . 4267 9
126 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.808 0.050 . . . . . . . . . . 4267 9
127 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.846 0.050 . . . . . . . . . . 4267 9
128 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.818 0.050 . . . . . . . . . . 4267 9
129 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.788 0.055 . . . . . . . . . . 4267 9
130 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.825 0.058 . . . . . . . . . . 4267 9
131 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.787 0.054 . . . . . . . . . . 4267 9
132 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.773 0.051 . . . . . . . . . . 4267 9
133 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.718 0.053 . . . . . . . . . . 4267 9
134 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.721 0.189 . . . . . . . . . . 4267 9
135 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.534 0.063 . . . . . . . . . . 4267 9
136 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.703 0.145 . . . . . . . . . . 4267 9
137 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.708 0.050 . . . . . . . . . . 4267 9
138 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.224 0.050 . . . . . . . . . . 4267 9
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