##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_cChim500
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_cChim500
_Heteronucl_NOE_list.Entry_ID 25035
_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 500
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 20000000
_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
1 '2D 1H-15N HSQC' . . . 25035 1
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
1 $NMRView . . 25035 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 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -0.478875748919 -0.286 . . . -7 GLY N . -7 GLY H 25035 1
2 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 -0.260492191686 -0.086 . . . -6 LEU N . -6 LEU H 25035 1
3 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.152740189194 0.09 . . . -3 ARG N . -3 ARG H 25035 1
4 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.262920733654 0.2 . . . -2 GLY N . -2 GLY H 25035 1
5 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.602310210614 0.119 . . . -1 SER N . -1 SER H 25035 1
6 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.640468360961 0.068 . . . 7 ALA N . 7 ALA H 25035 1
7 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.753327523128 0.21 . . . 8 ALA N . 8 ALA H 25035 1
8 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.956712101123 0.11 . . . 9 VAL N . 9 VAL H 25035 1
9 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.821053778388 0.096 . . . 10 GLU N . 10 GLU H 25035 1
10 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.51781107461 0.075 . . . 11 GLN N . 11 GLN H 25035 1
11 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.638699860513 0.072 . . . 12 LEU N . 12 LEU H 25035 1
12 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.834332776009 0.08 . . . 13 THR N . 13 THR H 25035 1
13 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.814786950846 0.091 . . . 14 GLU N . 14 GLU H 25035 1
14 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.828018423357 0.089 . . . 15 GLU N . 15 GLU H 25035 1
15 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.720506365468 0.095 . . . 16 GLN N . 16 GLN H 25035 1
16 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.69157911238 0.232 . . . 17 LYS N . 17 LYS H 25035 1
17 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.764158896515 0.088 . . . 18 ASN N . 18 ASN H 25035 1
18 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.605908156858 0.059 . . . 19 GLU N . 19 GLU H 25035 1
19 . 1 1 35 35 PHE N N 15 . 1 1 35 35 PHE H H 1 0.869629877304 0.153 . . . 20 PHE N . 20 PHE H 25035 1
20 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.639362849522 0.223 . . . 21 LYS N . 21 LYS H 25035 1
21 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.726352080679 0.058 . . . 22 ALA N . 22 ALA H 25035 1
22 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.814786950846 0.091 . . . 24 PHE N . 24 PHE H 25035 1
23 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.823914698648 0.123 . . . 25 ASP N . 25 ASP H 25035 1
24 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.925805471155 0.118 . . . 26 ILE N . 26 ILE H 25035 1
25 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.687534002185 0.188 . . . 28 VAL N . 28 VAL H 25035 1
26 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.856264506511 0.127 . . . 29 LEU N . 29 LEU H 25035 1
27 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.765636164385 0.258 . . . 30 GLY N . 30 GLY H 25035 1
28 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.901271840453 0.127 . . . 31 ALA N . 31 ALA H 25035 1
29 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.429572131341 0.154 . . . 32 GLU N . 32 GLU H 25035 1
30 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.552098468931 0.106 . . . 33 ASP N . 33 ASP H 25035 1
31 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.932761757708 0.155 . . . 34 GLY N . 34 GLY H 25035 1
32 . 1 1 50 50 SER N N 15 . 1 1 50 50 SER H H 1 0.688062645468 0.084 . . . 35 SER N . 35 SER H 25035 1
33 . 1 1 51 51 ILE N N 15 . 1 1 51 51 ILE H H 1 0.66608187487 0.139 . . . 36 ILE N . 36 ILE H 25035 1
34 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.816781240496 0.248 . . . 37 SER N . 37 SER H 25035 1
35 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.635674493933 0.161 . . . 38 THR N . 38 THR H 25035 1
36 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.726575002015 0.13 . . . 40 GLU N . 40 GLU H 25035 1
37 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.822659029811 0.183 . . . 41 LEU N . 41 LEU H 25035 1
38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 1.04649608252 0.163 . . . 42 GLY N . 42 GLY H 25035 1
39 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 1.02248054989 0.264 . . . 43 LYS N . 43 LYS H 25035 1
40 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.782739108715 0.129 . . . 44 VAL N . 44 VAL H 25035 1
41 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.909463156956 0.191 . . . 45 MET N . 45 MET H 25035 1
42 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.774365397848 0.065 . . . 46 ARG N . 46 ARG H 25035 1
43 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.689124229464 0.11 . . . 47 MET N . 47 MET H 25035 1
44 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.659781959824 0.099 . . . 48 LEU N . 48 LEU H 25035 1
45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.676834253621 0.066 . . . 49 GLY N . 49 GLY H 25035 1
46 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.797064282695 0.066 . . . 50 GLN N . 50 GLN H 25035 1
47 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.731791886043 0.188 . . . 51 ASN N . 51 ASN H 25035 1
48 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.834332776009 0.08 . . . 53 THR N . 53 THR H 25035 1
49 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.789109095196 0.092 . . . 55 GLU N . 55 GLU H 25035 1
50 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.711078864045 0.053 . . . 56 GLU N . 56 GLU H 25035 1
51 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.703039542669 0.061 . . . 58 GLN N . 58 GLN H 25035 1
52 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.761898176901 0.085 . . . 59 GLU N . 59 GLU H 25035 1
53 . 1 1 75 75 MET N N 15 . 1 1 75 75 MET H H 1 0.786372960236 0.071 . . . 60 MET N . 60 MET H 25035 1
54 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.68007936317 0.219 . . . 61 ILE N . 61 ILE H 25035 1
55 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 1.08640781617 0.195 . . . 62 ASP N . 62 ASP H 25035 1
56 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.835648257747 0.104 . . . 63 GLU N . 63 GLU H 25035 1
57 . 1 1 79 79 VAL N N 15 . 1 1 79 79 VAL H H 1 0.854897951281 0.4 . . . 64 VAL N . 64 VAL H 25035 1
58 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.435316063633 0.15 . . . 65 ASP N . 65 ASP H 25035 1
59 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.855672887709 0.236 . . . 66 GLU N . 66 GLU H 25035 1
60 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.776274098742 0.126 . . . 67 ASP N . 67 ASP H 25035 1
61 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.745348514258 0.096 . . . 68 GLY N . 68 GLY H 25035 1
62 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.803526673968 0.091 . . . 69 SER N . 69 SER H 25035 1
63 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 0.846801658653 0.151 . . . 70 GLY N . 70 GLY H 25035 1
64 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.860546053622 0.146 . . . 71 THR N . 71 THR H 25035 1
65 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.754818684288 0.153 . . . 72 VAL N . 72 VAL H 25035 1
66 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 1.08890140398 0.276 . . . 73 ASP N . 73 ASP H 25035 1
67 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.723485077031 0.094 . . . 74 PHE N . 74 PHE H 25035 1
68 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.918898819849 0.196 . . . 77 PHE N . 77 PHE H 25035 1
69 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.463902736272 0.157 . . . 79 VAL N . 79 VAL H 25035 1
70 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 1.11070692707 0.462 . . . 81 MET N . 81 MET H 25035 1
71 . 1 1 97 97 VAL N N 15 . 1 1 97 97 VAL H H 1 0.876086169275 0.28 . . . 82 VAL N . 82 VAL H 25035 1
72 . 1 1 99 99 CYS N N 15 . 1 1 99 99 CYS H H 1 1.35106956006 0.403 . . . 84 CYS N . 84 CYS H 25035 1
73 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.700161804908 0.198 . . . 88 ASP N . 88 ASP H 25035 1
74 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.41285087805 0.095 . . . 89 SER N . 89 SER H 25035 1
75 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 0.461834565112 0.107 . . . 90 GLU N . 90 GLU H 25035 1
76 . 1 1 115 115 ARG N N 15 . 1 1 115 115 ARG H H 1 0.487537703662 0.159 . . . 147 ARG N . 147 ARG H 25035 1
77 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 1.0119079538 0.336 . . . 150 ALA N . 150 ALA H 25035 1
78 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.957228892351 0.136 . . . 151 ASP N . 151 ASP H 25035 1
79 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.841315474914 0.159 . . . 152 ALA N . 152 ALA H 25035 1
80 . 1 1 121 121 MET N N 15 . 1 1 121 121 MET H H 1 0.764800415917 0.09 . . . 153 MET N . 153 MET H 25035 1
81 . 1 1 122 122 MET N N 15 . 1 1 122 122 MET H H 1 0.816042428761 0.172 . . . 154 MET N . 154 MET H 25035 1
82 . 1 1 123 123 GLN N N 15 . 1 1 123 123 GLN H H 1 0.518821383598 0.05 . . . 155 GLN N . 155 GLN H 25035 1
83 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.797919935143 0.096 . . . 156 ALA N . 156 ALA H 25035 1
84 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.982275270261 0.266 . . . 157 LEU N . 157 LEU H 25035 1
85 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.764740919667 0.189 . . . 159 GLY N . 159 GLY H 25035 1
86 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.607310023044 0.232 . . . 160 ALA N . 160 ALA H 25035 1
87 . 1 1 129 129 ARG N N 15 . 1 1 129 129 ARG H H 1 0.730233975857 0.053 . . . 161 ARG N . 161 ARG H 25035 1
88 . 1 1 131 131 LYS N N 15 . 1 1 131 131 LYS H H 1 0.490802775849 0.181 . . . 163 LYS N . 163 LYS H 25035 1
89 . 1 1 132 132 GLU N N 15 . 1 1 132 132 GLU H H 1 0.265958012185 0.189 . . . 164 GLU N . 164 GLU H 25035 1
90 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.373945228472 0.115 . . . 165 SER N . 165 SER H 25035 1
91 . 1 1 134 134 LEU N N 15 . 1 1 134 134 LEU H H 1 0.528674773651 0.096 . . . 166 LEU N . 166 LEU H 25035 1
92 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.404610948222 0.05 . . . 167 ASP N . 167 ASP H 25035 1
93 . 1 1 136 136 LEU N N 15 . 1 1 136 136 LEU H H 1 -0.156145983389 -0.066 . . . 168 LEU N . 168 LEU H 25035 1
94 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.163110682411 0.053 . . . 169 ARG N . 169 ARG H 25035 1
95 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 -0.742406805735 -0.112 . . . 170 ALA N . 170 ALA H 25035 1
96 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.605908156858 0.059 . . . 162 ALA N . 162 ALA H 25035 1
97 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 -1.92813800905 -0.149 . . . 173 LYS N . 173 LYS H 25035 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_cChim600
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_cChim600
_Heteronucl_NOE_list.Entry_ID 25035
_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 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 20000000
_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
1 '2D 1H-15N HSQC' . . . 25035 2
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
1 $NMRView . . 25035 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 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -0.361836905379 -0.211 . . . -7 GLY N . -7 GLY H 25035 2
2 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.0982250315373 0.063 . . . -6 LEU N . -6 LEU H 25035 2
3 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.373879453542 0.081 . . . -3 ARG N . -3 ARG H 25035 2
4 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.157923407957 0.18 . . . -2 GLY N . -2 GLY H 25035 2
5 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.780129296384 0.157 . . . -1 SER N . -1 SER H 25035 2
6 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.859509579821 0.092 . . . 7 ALA N . 7 ALA H 25035 2
7 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.694881942121 0.159 . . . 8 ALA N . 8 ALA H 25035 2
8 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 1.11913778058 0.187 . . . 9 VAL N . 9 VAL H 25035 2
9 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.74763457162 0.086 . . . 10 GLU N . 10 GLU H 25035 2
10 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.686860461579 0.104 . . . 11 GLN N . 11 GLN H 25035 2
11 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.830616711415 0.084 . . . 12 LEU N . 12 LEU H 25035 2
12 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.746556520676 0.074 . . . 13 THR N . 13 THR H 25035 2
13 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.901856239035 0.08 . . . 14 GLU N . 14 GLU H 25035 2
14 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.734663712855 0.076 . . . 15 GLU N . 15 GLU H 25035 2
15 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.913801867694 0.106 . . . 16 GLN N . 16 GLN H 25035 2
16 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.853637328546 0.25 . . . 17 LYS N . 17 LYS H 25035 2
17 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.812590693814 0.093 . . . 18 ASN N . 18 ASN H 25035 2
18 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.577741952126 0.057 . . . 19 GLU N . 19 GLU H 25035 2
19 . 1 1 35 35 PHE N N 15 . 1 1 35 35 PHE H H 1 0.857074058419 0.144 . . . 20 PHE N . 20 PHE H 25035 2
20 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.959534461174 0.36 . . . 21 LYS N . 21 LYS H 25035 2
21 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.904298583699 0.06 . . . 22 ALA N . 22 ALA H 25035 2
22 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.867006841438 0.084 . . . 24 PHE N . 24 PHE H 25035 2
23 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.968030413262 0.168 . . . 25 ASP N . 25 ASP H 25035 2
24 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.887018352937 0.118 . . . 26 ILE N . 26 ILE H 25035 2
25 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 1.32583312953 0.509 . . . 28 VAL N . 28 VAL H 25035 2
26 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.805052217266 0.12 . . . 29 LEU N . 29 LEU H 25035 2
27 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.803922927292 0.391 . . . 30 GLY N . 30 GLY H 25035 2
28 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.669763954656 0.104 . . . 31 ALA N . 31 ALA H 25035 2
29 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.478314888493 0.189 . . . 32 GLU N . 32 GLU H 25035 2
30 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.622757823098 0.095 . . . 33 ASP N . 33 ASP H 25035 2
31 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.975513301914 0.156 . . . 34 GLY N . 34 GLY H 25035 2
32 . 1 1 50 50 SER N N 15 . 1 1 50 50 SER H H 1 0.821307802607 0.094 . . . 35 SER N . 35 SER H 25035 2
33 . 1 1 51 51 ILE N N 15 . 1 1 51 51 ILE H H 1 0.848782917142 0.182 . . . 36 ILE N . 36 ILE H 25035 2
34 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 1.25104748955 0.427 . . . 37 SER N . 37 SER H 25035 2
35 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.793494716468 0.211 . . . 38 THR N . 38 THR H 25035 2
36 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.840939973861 0.147 . . . 40 GLU N . 40 GLU H 25035 2
37 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 1.34333495212 0.499 . . . 41 LEU N . 41 LEU H 25035 2
38 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 1.05126044114 0.189 . . . 42 GLY N . 42 GLY H 25035 2
39 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.69077722556 0.188 . . . 43 LYS N . 43 LYS H 25035 2
40 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.889384108378 0.136 . . . 44 VAL N . 44 VAL H 25035 2
41 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.877492009664 0.162 . . . 45 MET N . 45 MET H 25035 2
42 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.872140005225 0.071 . . . 46 ARG N . 46 ARG H 25035 2
43 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.969088541733 0.148 . . . 47 MET N . 47 MET H 25035 2
44 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.739006782629 0.095 . . . 48 LEU N . 48 LEU H 25035 2
45 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.805141606586 0.078 . . . 49 GLY N . 49 GLY H 25035 2
46 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.782233506541 0.064 . . . 50 GLN N . 50 GLN H 25035 2
47 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.825876493394 0.191 . . . 51 ASN N . 51 ASN H 25035 2
48 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.774175085597 0.075 . . . 53 THR N . 53 THR H 25035 2
49 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.911149187743 0.095 . . . 55 GLU N . 55 GLU H 25035 2
50 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.904298583699 0.06 . . . 56 GLU N . 56 GLU H 25035 2
51 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.67832763316 0.058 . . . 58 GLN N . 58 GLN H 25035 2
52 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.896609489395 0.092 . . . 59 GLU N . 59 GLU H 25035 2
53 . 1 1 75 75 MET N N 15 . 1 1 75 75 MET H H 1 0.828175007829 0.081 . . . 60 MET N . 60 MET H 25035 2
54 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.686662326351 0.288 . . . 61 ILE N . 61 ILE H 25035 2
55 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.888368804703 0.156 . . . 62 ASP N . 62 ASP H 25035 2
56 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.818847951096 0.099 . . . 63 GLU N . 63 GLU H 25035 2
57 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.774271186549 0.258 . . . 65 ASP N . 65 ASP H 25035 2
58 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.699124880109 0.215 . . . 66 GLU N . 66 GLU H 25035 2
59 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.911548948265 0.134 . . . 67 ASP N . 67 ASP H 25035 2
60 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.718646195147 0.096 . . . 68 GLY N . 68 GLY H 25035 2
61 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.877981698069 0.096 . . . 69 SER N . 69 SER H 25035 2
62 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 0.938415762156 0.155 . . . 70 GLY N . 70 GLY H 25035 2
63 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.949329449924 0.162 . . . 71 THR N . 71 THR H 25035 2
64 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.782213197672 0.186 . . . 72 VAL N . 72 VAL H 25035 2
65 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 0.880121808807 0.195 . . . 73 ASP N . 73 ASP H 25035 2
66 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.846659280502 0.099 . . . 74 PHE N . 74 PHE H 25035 2
67 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.885175578315 0.215 . . . 77 PHE N . 77 PHE H 25035 2
68 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.865348092731 0.295 . . . 79 VAL N . 79 VAL H 25035 2
69 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 1.08609662481 0.369 . . . 81 MET N . 81 MET H 25035 2
70 . 1 1 97 97 VAL N N 15 . 1 1 97 97 VAL H H 1 0.960716940664 0.326 . . . 82 VAL N . 82 VAL H 25035 2
71 . 1 1 99 99 CYS N N 15 . 1 1 99 99 CYS H H 1 0.910608400988 0.262 . . . 84 CYS N . 84 CYS H 25035 2
72 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.406556106699 0.128 . . . 88 ASP N . 88 ASP H 25035 2
73 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.625888379068 0.095 . . . 89 SER N . 89 SER H 25035 2
74 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 0.70461950639 0.161 . . . 90 GLU N . 90 GLU H 25035 2
75 . 1 1 115 115 ARG N N 15 . 1 1 115 115 ARG H H 1 0.835228553796 0.212 . . . 147 ARG N . 147 ARG H 25035 2
76 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.215499946318 0.287 . . . 148 ILE N . 148 ILE H 25035 2
77 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 1.27673252373 0.697 . . . 150 ALA N . 150 ALA H 25035 2
78 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.789988310483 0.117 . . . 151 ASP N . 151 ASP H 25035 2
79 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.77273655653 0.127 . . . 152 ALA N . 152 ALA H 25035 2
80 . 1 1 121 121 MET N N 15 . 1 1 121 121 MET H H 1 0.877825435456 0.102 . . . 153 MET N . 153 MET H 25035 2
81 . 1 1 122 122 MET N N 15 . 1 1 122 122 MET H H 1 0.83136600442 0.162 . . . 154 MET N . 154 MET H 25035 2
82 . 1 1 123 123 GLN N N 15 . 1 1 123 123 GLN H H 1 0.670451906768 0.059 . . . 155 GLN N . 155 GLN H 25035 2
83 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.930251655167 0.124 . . . 156 ALA N . 156 ALA H 25035 2
84 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.942583198161 0.243 . . . 157 LEU N . 157 LEU H 25035 2
85 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.763070990912 0.208 . . . 159 GLY N . 159 GLY H 25035 2
86 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.709817796484 0.25 . . . 160 ALA N . 160 ALA H 25035 2
87 . 1 1 129 129 ARG N N 15 . 1 1 129 129 ARG H H 1 0.752350761415 0.057 . . . 161 ARG N . 161 ARG H 25035 2
88 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.577741952126 0.057 . . . 162 ALA N . 162 ALA H 25035 2
89 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.556208159092 0.167 . . . 165 SER N . 165 SER H 25035 2
90 . 1 1 134 134 LEU N N 15 . 1 1 134 134 LEU H H 1 0.476139669646 0.107 . . . 166 LEU N . 166 LEU H 25035 2
91 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.492172558285 0.05 . . . 167 ASP N . 167 ASP H 25035 2
92 . 1 1 136 136 LEU N N 15 . 1 1 136 136 LEU H H 1 0.191933155476 0.063 . . . 168 LEU N . 168 LEU H 25035 2
93 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.40942730676 0.054 . . . 169 ARG N . 169 ARG H 25035 2
94 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 -0.625025483439 -0.086 . . . 170 ALA N . 170 ALA H 25035 2
95 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.835172726546 0.216 . . . 172 LEU N . 172 LEU H 25035 2
96 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 -1.43175472215 -0.115 . . . 173 LYS N . 173 LYS H 25035 2
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