##############################
# Heteronuclear NOE values #
##############################
save_heteronucl_NOEs_1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1
_Heteronucl_NOE_list.Entry_ID 51413
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Name 'BRD4 15N-NOE 600'
_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 1
_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
10 '1H-15N heteronoe' . . . 51413 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
3 $software_3 . . 51413 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 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.3417 0.010554 . . . 49 GLU N . 49 GLU H 51413 1
2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5752 0.021368 . . . 55 LYS N . 55 LYS H 51413 1
3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.2788 0.022312 . . . 57 LYS N . 57 LYS H 51413 1
4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 -0.3992 0.021379 . . . 58 ARG N . 58 ARG H 51413 1
5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.3946 0.097851 . . . 60 THR N . 60 THR H 51413 1
6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8275 0.025681 . . . 65 TYR N . 65 TYR H 51413 1
7 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.8536 0.027776 . . . 67 LEU N . 67 LEU H 51413 1
8 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8305 0.030994 . . . 68 ARG N . 68 ARG H 51413 1
9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.7478 0.030362 . . . 70 VAL N . 70 VAL H 51413 1
10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8127 0.026421 . . . 71 LEU N . 71 LEU H 51413 1
11 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.7694 0.027398 . . . 73 THR N . 73 THR H 51413 1
12 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.7577 0.02533 . . . 75 TRP N . 75 TRP H 51413 1
13 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8576 0.032888 . . . 76 LYS N . 76 LYS H 51413 1
14 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.8332 0.022788 . . . 78 GLN N . 78 GLN H 51413 1
15 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.8024 0.051898 . . . 79 PHE N . 79 PHE H 51413 1
16 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.8722 0.039041 . . . 81 TRP N . 81 TRP H 51413 1
17 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8089 0.034163 . . . 83 PHE N . 83 PHE H 51413 1
18 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8711 0.024259 . . . 85 GLN N . 85 GLN H 51413 1
19 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.7746 0.02187 . . . 87 VAL N . 87 VAL H 51413 1
20 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8141 0.026931 . . . 88 ASP N . 88 ASP H 51413 1
21 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7526 0.038584 . . . 89 ALA N . 89 ALA H 51413 1
22 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.7077 0.033257 . . . 90 VAL N . 90 VAL H 51413 1
23 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.778 0.031359 . . . 91 LYS N . 91 LYS H 51413 1
24 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8928 0.045296 . . . 92 LEU N . 92 LEU H 51413 1
25 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7796 0.022644 . . . 93 ASN N . 93 ASN H 51413 1
26 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8197 0.038693 . . . 98 TYR N . 98 TYR H 51413 1
27 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.787 0.060667 . . . 99 LYS N . 99 LYS H 51413 1
28 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.6715 0.036402 . . . 100 ILE N . 100 ILE H 51413 1
29 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7208 0.02301 . . . 102 LYS N . 102 LYS H 51413 1
30 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8906 0.033212 . . . 103 THR N . 103 THR H 51413 1
31 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8901 0.051003 . . . 105 MET N . 105 MET H 51413 1
32 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8406 0.021638 . . . 106 ASP N . 106 ASP H 51413 1
33 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8622 0.026431 . . . 107 MET N . 107 MET H 51413 1
34 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.7967 0.033244 . . . 108 GLY N . 108 GLY H 51413 1
35 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8199 0.025937 . . . 110 ILE N . 110 ILE H 51413 1
36 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8349 0.023697 . . . 111 LYS N . 111 LYS H 51413 1
37 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8546 0.029665 . . . 112 LYS N . 112 LYS H 51413 1
38 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8108 0.031324 . . . 113 ARG N . 113 ARG H 51413 1
39 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8162 0.030568 . . . 114 LEU N . 114 LEU H 51413 1
40 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8336 0.031579 . . . 115 GLU N . 115 GLU H 51413 1
41 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.6869 0.028506 . . . 116 ASN N . 116 ASN H 51413 1
42 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8025 0.02758 . . . 118 TYR N . 118 TYR H 51413 1
43 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.814 0.025319 . . . 119 TYR N . 119 TYR H 51413 1
44 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.7602 0.030225 . . . 120 TRP N . 120 TRP H 51413 1
45 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.852 0.039588 . . . 121 ASN N . 121 ASN H 51413 1
46 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.7343 0.038302 . . . 122 ALA N . 122 ALA H 51413 1
47 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.8104 0.023708 . . . 123 GLN N . 123 GLN H 51413 1
48 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8382 0.033635 . . . 125 CYS N . 125 CYS H 51413 1
49 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8278 0.023025 . . . 128 ASP N . 128 ASP H 51413 1
50 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8889 0.027302 . . . 130 ASN N . 130 ASN H 51413 1
51 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.7514 0.02896 . . . 131 THR N . 131 THR H 51413 1
52 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8487 0.025322 . . . 132 MET N . 132 MET H 51413 1
53 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.8444 0.024186 . . . 133 PHE N . 133 PHE H 51413 1
54 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8099 0.064676 . . . 134 THR N . 134 THR H 51413 1
55 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8239 0.026919 . . . 135 ASN N . 135 ASN H 51413 1
56 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.8975 0.02892 . . . 137 TYR N . 137 TYR H 51413 1
57 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.6987 0.085458 . . . 143 GLY N . 143 GLY H 51413 1
58 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8383 0.042352 . . . 147 VAL N . 147 VAL H 51413 1
59 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.815 0.038106 . . . 148 LEU N . 148 LEU H 51413 1
60 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.8686 0.043293 . . . 151 GLU N . 151 GLU H 51413 1
61 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8779 0.024534 . . . 152 ALA N . 152 ALA H 51413 1
62 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8023 0.043206 . . . 153 LEU N . 153 LEU H 51413 1
63 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.9072 0.064297 . . . 154 GLU N . 154 GLU H 51413 1
64 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8536 0.042204 . . . 155 LYS N . 155 LYS H 51413 1
65 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8649 0.026287 . . . 156 LEU N . 156 LEU H 51413 1
66 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8922 0.034775 . . . 157 PHE N . 157 PHE H 51413 1
67 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8461 0.024763 . . . 158 LEU N . 158 LEU H 51413 1
68 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8483 0.023724 . . . 159 GLN N . 159 GLN H 51413 1
69 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8392 0.033153 . . . 161 ILE N . 161 ILE H 51413 1
70 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7989 0.023376 . . . 162 ASN N . 162 ASN H 51413 1
71 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.7633 0.025701 . . . 164 LEU N . 164 LEU H 51413 1
72 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.065 0.023283 . . . 175 GLN N . 175 GLN H 51413 1
73 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 -0.2104 0.015486 . . . 177 LYS N . 177 LYS H 51413 1
74 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 -0.6032 0.11315 . . . 182 GLY N . 182 GLY H 51413 1
75 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.6631 0.043131 . . . 186 THR N . 186 THR H 51413 1
76 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.7429 0.077349 . . . 187 GLY N . 187 GLY H 51413 1
77 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.4952 0.034675 . . . 188 THR N . 188 THR H 51413 1
78 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.8253 0.030367 . . . 189 ALA N . 189 ALA H 51413 1
79 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.6821 0.022501 . . . 192 GLY N . 192 GLY H 51413 1
80 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 -0.5472 0.032667 . . . 195 THR N . 195 THR H 51413 1
81 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.434 0.011627 . . . 196 VAL N . 196 VAL H 51413 1
82 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.6921 0.032459 . . . 198 ASN N . 198 ASN H 51413 1
83 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 -0.493 0.018556 . . . 199 THR N . 199 THR H 51413 1
84 . 1 1 157 157 THR N N 15 . 1 1 157 157 THR H H 1 -0.4446 0.022162 . . . 200 THR N . 200 THR H 51413 1
85 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.6924 0.027493 . . . 201 GLN N . 201 GLN H 51413 1
86 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.7765 0.024739 . . . 202 ALA N . 202 ALA H 51413 1
87 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -1.076 0.056936 . . . 203 SER N . 203 SER H 51413 1
88 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.582 0.021904 . . . 204 THR N . 204 THR H 51413 1
89 . 1 1 164 164 GLN N N 15 . 1 1 164 164 GLN H H 1 -0.5678 0.017616 . . . 207 GLN N . 207 GLN H 51413 1
90 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.7469 0.026389 . . . 210 THR N . 210 THR H 51413 1
91 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.5557 0.0201 . . . 227 ALA N . 227 ALA H 51413 1
92 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 -0.2923 0.014761 . . . 228 VAL N . 228 VAL H 51413 1
93 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 -0.3223 0.011714 . . . 229 THR N . 229 THR H 51413 1
94 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 -0.1088 0.0066319 . . . 231 ASP N . 231 ASP H 51413 1
95 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 -0.4539 0.0096828 . . . 233 ILE N . 233 ILE H 51413 1
96 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.2558 0.0096318 . . . 234 VAL N . 234 VAL H 51413 1
97 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.3964 0.012552 . . . 235 GLN N . 235 GLN H 51413 1
98 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.3596 0.010479 . . . 238 VAL N . 238 VAL H 51413 1
99 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.4721 0.019291 . . . 240 THR N . 240 THR H 51413 1
100 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.3279 0.014121 . . . 241 VAL N . 241 VAL H 51413 1
101 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 -0.5128 0.011336 . . . 242 VAL N . 242 VAL H 51413 1
102 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.4978 0.011631 . . . 274 ILE N . 274 ILE H 51413 1
103 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.5464 0.012917 . . . 275 ILE N . 275 ILE H 51413 1
104 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.6897 0.015574 . . . 276 ALA N . 276 ALA H 51413 1
105 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.5617 0.013321 . . . 277 ALA N . 277 ALA H 51413 1
106 . 1 1 235 235 THR N N 15 . 1 1 235 235 THR H H 1 -0.7364 0.18549 . . . 278 THR N . 278 THR H 51413 1
107 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 -0.3513 0.017651 . . . 286 LYS N . 286 LYS H 51413 1
108 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 -0.4117 0.02834 . . . 287 GLY N . 287 GLY H 51413 1
109 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 -0.3956 0.024638 . . . 292 ALA N . 292 ALA H 51413 1
110 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 -0.453 0.019063 . . . 293 ASP N . 293 ASP H 51413 1
111 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.2594 0.019859 . . . 294 THR N . 294 THR H 51413 1
112 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.4899 0.017805 . . . 298 THR N . 298 THR H 51413 1
113 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 -0.2804 0.019353 . . . 299 THR N . 299 THR H 51413 1
114 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 -0.2269 0.01231 . . . 300 ILE N . 300 ILE H 51413 1
115 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 -0.1144 0.01017 . . . 303 ILE N . 303 ILE H 51413 1
116 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 -0.2551 0.022971 . . . 304 HIS N . 304 HIS H 51413 1
117 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 -0.4056 0.014086 . . . 305 GLU N . 305 GLU H 51413 1
118 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 -0.2947 0.015483 . . . 308 SER N . 308 SER H 51413 1
119 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 -0.2473 0.013208 . . . 309 LEU N . 309 LEU H 51413 1
120 . 1 1 285 285 VAL N N 15 . 1 1 285 285 VAL H H 1 -0.3681 0.0049452 . . . 328 VAL N . 328 VAL H 51413 1
121 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 -0.2086 0.014773 . . . 332 LYS N . 332 LYS H 51413 1
122 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 -0.3204 0.017162 . . . 333 LYS N . 333 LYS H 51413 1
123 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 -0.3489 0.017043 . . . 334 ASP N . 334 ASP H 51413 1
124 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 -0.0928 0.0079837 . . . 335 VAL N . 335 VAL H 51413 1
125 . 1 1 294 294 ASP N N 15 . 1 1 294 294 ASP H H 1 -0.2392 0.012309 . . . 337 ASP N . 337 ASP H 51413 1
126 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 -0.1569 0.026417 . . . 338 SER N . 338 SER H 51413 1
127 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 -0.1345 0.01608 . . . 343 ALA N . 343 ALA H 51413 1
128 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.0518 0.015036 . . . 345 GLU N . 345 GLU H 51413 1
129 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.0952 0.048414 . . . 347 SER N . 347 SER H 51413 1
130 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.4863 0.030457 . . . 350 VAL N . 350 VAL H 51413 1
131 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7792 0.048617 . . . 351 SER N . 351 SER H 51413 1
132 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.7564 0.066666 . . . 352 GLU N . 352 GLU H 51413 1
133 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.8144 0.06385 . . . 353 GLN N . 353 GLN H 51413 1
134 . 1 1 315 315 SER N N 15 . 1 1 315 315 SER H H 1 0.6772 0.037985 . . . 358 SER N . 358 SER H 51413 1
135 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.8465 0.04852 . . . 359 GLY N . 359 GLY H 51413 1
136 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8911 0.042964 . . . 363 GLU N . 363 GLU H 51413 1
137 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8978 0.045997 . . . 365 PHE N . 365 PHE H 51413 1
138 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8213 0.038244 . . . 370 ALA N . 370 ALA H 51413 1
139 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8536 0.037357 . . . 374 TRP N . 374 TRP H 51413 1
140 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.7842 0.038488 . . . 377 TYR N . 377 TYR H 51413 1
141 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.8301 0.033171 . . . 378 LYS N . 378 LYS H 51413 1
142 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8253 0.027451 . . . 380 VAL N . 380 VAL H 51413 1
143 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.768 0.025249 . . . 381 ASP N . 381 ASP H 51413 1
144 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6623 0.026887 . . . 382 VAL N . 382 VAL H 51413 1
145 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7498 0.037235 . . . 384 ALA N . 384 ALA H 51413 1
146 . 1 1 346 346 ASP N N 15 . 1 1 346 346 ASP H H 1 0.8495 0.023869 . . . 389 ASP N . 389 ASP H 51413 1
147 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8195 0.038712 . . . 391 CYS N . 391 CYS H 51413 1
148 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7086 0.040669 . . . 392 ASP N . 392 ASP H 51413 1
149 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.7025 0.047567 . . . 393 ILE N . 393 ILE H 51413 1
150 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8143 0.028014 . . . 399 ASP N . 399 ASP H 51413 1
151 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8479 0.036022 . . . 400 MET N . 400 MET H 51413 1
152 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.8651 0.030802 . . . 401 SER N . 401 SER H 51413 1
153 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.8833 0.042308 . . . 403 ILE N . 403 ILE H 51413 1
154 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.7937 0.036791 . . . 405 SER N . 405 SER H 51413 1
155 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.7784 0.043151 . . . 407 LEU N . 407 LEU H 51413 1
156 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.8648 0.027732 . . . 408 GLU N . 408 GLU H 51413 1
157 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.7569 0.033859 . . . 409 ALA N . 409 ALA H 51413 1
158 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.7774 0.029341 . . . 410 ARG N . 410 ARG H 51413 1
159 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.731 0.028271 . . . 412 TYR N . 412 TYR H 51413 1
160 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.8247 0.032661 . . . 413 ARG N . 413 ARG H 51413 1
161 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.773 0.032262 . . . 414 ASP N . 414 ASP H 51413 1
162 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.86 0.03822 . . . 415 ALA N . 415 ALA H 51413 1
163 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.7282 0.036439 . . . 416 GLN N . 416 GLN H 51413 1
164 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8852 0.048352 . . . 419 GLY N . 419 GLY H 51413 1
165 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.8475 0.04131 . . . 422 VAL N . 422 VAL H 51413 1
166 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8894 0.039264 . . . 423 ARG N . 423 ARG H 51413 1
167 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.8829 0.043253 . . . 425 MET N . 425 MET H 51413 1
168 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.8296 0.045111 . . . 429 CYS N . 429 CYS H 51413 1
169 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 1.018 0.049649 . . . 436 ASP N . 436 ASP H 51413 1
170 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.7679 0.051885 . . . 438 GLU N . 438 GLU H 51413 1
171 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.9317 0.051459 . . . 440 VAL N . 440 VAL H 51413 1
172 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.9189 0.065337 . . . 441 ALA N . 441 ALA H 51413 1
173 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.8279 0.053037 . . . 445 LYS N . 445 LYS H 51413 1
174 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.8246 0.061163 . . . 447 GLN N . 447 GLN H 51413 1
175 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 0.7095 0.046658 . . . 450 PHE N . 450 PHE H 51413 1
176 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.9091 0.068102 . . . 451 GLU N . 451 GLU H 51413 1
177 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.7433 0.061669 . . . 453 ARG N . 453 ARG H 51413 1
178 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.9353 0.08366 . . . 454 PHE N . 454 PHE H 51413 1
179 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7031 0.03926 . . . 455 ALA N . 455 ALA H 51413 1
180 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 -0.0288 0.018729 . . . 460 GLU N . 460 GLU H 51413 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronucl_NOEs_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2
_Heteronucl_NOE_list.Entry_ID 51413
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Name 'BRD4 15N-NOE 800'
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 800
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_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
11 '1H-15N heteronoe' . . . 51413 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
3 $software_3 . . 51413 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 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.1713 0.012124 . . . 49 GLU N . 49 GLU H 51413 2
2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5665 0.024347 . . . 55 LYS N . 55 LYS H 51413 2
3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.1629 0.024192 . . . 57 LYS N . 57 LYS H 51413 2
4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.1463 0.02001 . . . 58 ARG N . 58 ARG H 51413 2
5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.1857 0.098871 . . . 60 THR N . 60 THR H 51413 2
6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8105 0.025773 . . . 65 TYR N . 65 TYR H 51413 2
7 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.8174 0.029654 . . . 67 LEU N . 67 LEU H 51413 2
8 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8393 0.034814 . . . 68 ARG N . 68 ARG H 51413 2
9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.8652 0.035472 . . . 70 VAL N . 70 VAL H 51413 2
10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.92 0.039701 . . . 71 LEU N . 71 LEU H 51413 2
11 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8141 0.03092 . . . 72 LYS N . 72 LYS H 51413 2
12 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.8297 0.030745 . . . 73 THR N . 73 THR H 51413 2
13 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7832 0.027916 . . . 74 LEU N . 74 LEU H 51413 2
14 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.9048 0.0321 . . . 75 TRP N . 75 TRP H 51413 2
15 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8388 0.032696 . . . 76 LYS N . 76 LYS H 51413 2
16 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.8375 0.026061 . . . 78 GLN N . 78 GLN H 51413 2
17 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 1.3257 0.14081 . . . 79 PHE N . 79 PHE H 51413 2
18 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.9272 0.0613 . . . 81 TRP N . 81 TRP H 51413 2
19 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8815 0.037102 . . . 83 PHE N . 83 PHE H 51413 2
20 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8498 0.02439 . . . 85 GLN N . 85 GLN H 51413 2
21 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.864 0.029319 . . . 87 VAL N . 87 VAL H 51413 2
22 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8533 0.03627 . . . 88 ASP N . 88 ASP H 51413 2
23 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7775 0.03919 . . . 89 ALA N . 89 ALA H 51413 2
24 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.8327 0.04153 . . . 90 VAL N . 90 VAL H 51413 2
25 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.8917 0.038699 . . . 91 LYS N . 91 LYS H 51413 2
26 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8123 0.036289 . . . 92 LEU N . 92 LEU H 51413 2
27 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.8023 0.025946 . . . 93 ASN N . 93 ASN H 51413 2
28 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.9461 0.053477 . . . 98 TYR N . 98 TYR H 51413 2
29 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.7448 0.059237 . . . 99 LYS N . 99 LYS H 51413 2
30 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.9704 0.051353 . . . 100 ILE N . 100 ILE H 51413 2
31 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7041 0.025717 . . . 102 LYS N . 102 LYS H 51413 2
32 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8499 0.035811 . . . 103 THR N . 103 THR H 51413 2
33 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8635 0.047819 . . . 105 MET N . 105 MET H 51413 2
34 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.9012 0.023525 . . . 106 ASP N . 106 ASP H 51413 2
35 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8879 0.029827 . . . 107 MET N . 107 MET H 51413 2
36 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.9613 0.046433 . . . 108 GLY N . 108 GLY H 51413 2
37 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.9227 0.027535 . . . 110 ILE N . 110 ILE H 51413 2
38 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8957 0.029307 . . . 111 LYS N . 111 LYS H 51413 2
39 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.9352 0.034147 . . . 112 LYS N . 112 LYS H 51413 2
40 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.9528 0.042134 . . . 113 ARG N . 113 ARG H 51413 2
41 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.835 0.032216 . . . 114 LEU N . 114 LEU H 51413 2
42 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8902 0.03588 . . . 115 GLU N . 115 GLU H 51413 2
43 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.8877 0.038832 . . . 116 ASN N . 116 ASN H 51413 2
44 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8637 0.036186 . . . 118 TYR N . 118 TYR H 51413 2
45 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8985 0.030356 . . . 119 TYR N . 119 TYR H 51413 2
46 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.8474 0.037136 . . . 120 TRP N . 120 TRP H 51413 2
47 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.8871 0.051876 . . . 121 ASN N . 121 ASN H 51413 2
48 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8782 0.054438 . . . 122 ALA N . 122 ALA H 51413 2
49 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.8665 0.028719 . . . 123 GLN N . 123 GLN H 51413 2
50 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.9046 0.032848 . . . 125 CYS N . 125 CYS H 51413 2
51 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8517 0.025516 . . . 128 ASP N . 128 ASP H 51413 2
52 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8807 0.029302 . . . 130 ASN N . 130 ASN H 51413 2
53 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8586 0.033564 . . . 131 THR N . 131 THR H 51413 2
54 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8418 0.027242 . . . 132 MET N . 132 MET H 51413 2
55 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.9638 0.029329 . . . 133 PHE N . 133 PHE H 51413 2
56 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8307 0.11703 . . . 134 THR N . 134 THR H 51413 2
57 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8475 0.029588 . . . 135 ASN N . 135 ASN H 51413 2
58 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.8728 0.029161 . . . 137 TYR N . 137 TYR H 51413 2
59 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8267 0.04303 . . . 147 VAL N . 147 VAL H 51413 2
60 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.9195 0.049914 . . . 148 LEU N . 148 LEU H 51413 2
61 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.9818 0.059814 . . . 151 GLU N . 151 GLU H 51413 2
62 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8615 0.02723 . . . 152 ALA N . 152 ALA H 51413 2
63 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8875 0.055873 . . . 153 LEU N . 153 LEU H 51413 2
64 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.8465 0.078273 . . . 154 GLU N . 154 GLU H 51413 2
65 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.9294 0.05567 . . . 155 LYS N . 155 LYS H 51413 2
66 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8611 0.02655 . . . 156 LEU N . 156 LEU H 51413 2
67 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.9495 0.041144 . . . 157 PHE N . 157 PHE H 51413 2
68 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8742 0.031337 . . . 158 LEU N . 158 LEU H 51413 2
69 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8808 0.027844 . . . 159 GLN N . 159 GLN H 51413 2
70 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8236 0.029121 . . . 160 LYS N . 160 LYS H 51413 2
71 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8921 0.039239 . . . 161 ILE N . 161 ILE H 51413 2
72 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8532 0.027092 . . . 162 ASN N . 162 ASN H 51413 2
73 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.802 0.026898 . . . 164 LEU N . 164 LEU H 51413 2
74 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2533 0.022901 . . . 175 GLN N . 175 GLN H 51413 2
75 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.206 0.014864 . . . 177 LYS N . 177 LYS H 51413 2
76 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.1196 0.035316 . . . 180 GLY N . 180 GLY H 51413 2
77 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 0.0907 0.082092 . . . 182 GLY N . 182 GLY H 51413 2
78 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.0922 0.032721 . . . 186 THR N . 186 THR H 51413 2
79 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.0902 0.05162 . . . 187 GLY N . 187 GLY H 51413 2
80 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 0.0492 0.028393 . . . 188 THR N . 188 THR H 51413 2
81 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.0536 0.020052 . . . 189 ALA N . 189 ALA H 51413 2
82 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.1108 0.019823 . . . 192 GLY N . 192 GLY H 51413 2
83 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.11 0.026463 . . . 195 THR N . 195 THR H 51413 2
84 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.0213 0.011152 . . . 196 VAL N . 196 VAL H 51413 2
85 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.1333 0.026493 . . . 198 ASN N . 198 ASN H 51413 2
86 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 0.0494 0.016826 . . . 199 THR N . 199 THR H 51413 2
87 . 1 1 157 157 THR N N 15 . 1 1 157 157 THR H H 1 -0.0628 0.019864 . . . 200 THR N . 200 THR H 51413 2
88 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.1134 0.022307 . . . 201 GLN N . 201 GLN H 51413 2
89 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.1382 0.021986 . . . 202 ALA N . 202 ALA H 51413 2
90 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.1249 0.030494 . . . 203 SER N . 203 SER H 51413 2
91 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.0878 0.0191 . . . 204 THR N . 204 THR H 51413 2
92 . 1 1 164 164 GLN N N 15 . 1 1 164 164 GLN H H 1 -0.1194 0.017935 . . . 207 GLN N . 207 GLN H 51413 2
93 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.1335 0.022584 . . . 210 THR N . 210 THR H 51413 2
94 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 0.0342 0.017655 . . . 227 ALA N . 227 ALA H 51413 2
95 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.1649 0.0153 . . . 228 VAL N . 228 VAL H 51413 2
96 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 0.0562 0.01074 . . . 229 THR N . 229 THR H 51413 2
97 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.4016 0.0082397 . . . 231 ASP N . 231 ASP H 51413 2
98 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 0.1454 0.010307 . . . 233 ILE N . 233 ILE H 51413 2
99 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.0931 0.010529 . . . 234 VAL N . 234 VAL H 51413 2
100 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.0523 0.013414 . . . 235 GLN N . 235 GLN H 51413 2
101 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.174 0.011316 . . . 238 VAL N . 238 VAL H 51413 2
102 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.0706 0.018814 . . . 240 THR N . 240 THR H 51413 2
103 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.0717 0.013944 . . . 241 VAL N . 241 VAL H 51413 2
104 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 0.0495 0.011829 . . . 242 VAL N . 242 VAL H 51413 2
105 . 1 1 206 206 THR N N 15 . 1 1 206 206 THR H H 1 -0.0517 0.017908 . . . 249 THR N . 249 THR H 51413 2
106 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.2431 0.012042 . . . 274 ILE N . 274 ILE H 51413 2
107 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.2357 0.012116 . . . 275 ILE N . 275 ILE H 51413 2
108 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.0473 0.013206 . . . 276 ALA N . 276 ALA H 51413 2
109 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.1061 0.0125 . . . 277 ALA N . 277 ALA H 51413 2
110 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 0.0935 0.015798 . . . 286 LYS N . 286 LYS H 51413 2
111 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.082 0.027371 . . . 287 GLY N . 287 GLY H 51413 2
112 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 0.1047 0.02373 . . . 292 ALA N . 292 ALA H 51413 2
113 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 0.044 0.017179 . . . 293 ASP N . 293 ASP H 51413 2
114 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.4845 0.022385 . . . 294 THR N . 294 THR H 51413 2
115 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.1163 0.016347 . . . 298 THR N . 298 THR H 51413 2
116 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.3067 0.020126 . . . 299 THR N . 299 THR H 51413 2
117 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 0.0491 0.012979 . . . 300 ILE N . 300 ILE H 51413 2
118 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.314 0.012238 . . . 303 ILE N . 303 ILE H 51413 2
119 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 0.1455 0.020776 . . . 304 HIS N . 304 HIS H 51413 2
120 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 0.1463 0.011941 . . . 305 GLU N . 305 GLU H 51413 2
121 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 0.1788 0.017339 . . . 308 SER N . 308 SER H 51413 2
122 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 0.0556 0.013555 . . . 309 LEU N . 309 LEU H 51413 2
123 . 1 1 275 275 LEU N N 15 . 1 1 275 275 LEU H H 1 0.2105 0.12575 . . . 318 LEU N . 318 LEU H 51413 2
124 . 1 1 285 285 VAL N N 15 . 1 1 285 285 VAL H H 1 0.0667 0.0051239 . . . 328 VAL N . 328 VAL H 51413 2
125 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.2262 0.015155 . . . 332 LYS N . 332 LYS H 51413 2
126 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 0.2148 0.018064 . . . 333 LYS N . 333 LYS H 51413 2
127 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 0.1208 0.018814 . . . 334 ASP N . 334 ASP H 51413 2
128 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 0.2551 0.0092175 . . . 335 VAL N . 335 VAL H 51413 2
129 . 1 1 294 294 ASP N N 15 . 1 1 294 294 ASP H H 1 0.0614 0.013099 . . . 337 ASP N . 337 ASP H 51413 2
130 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 0.1883 0.024761 . . . 338 SER N . 338 SER H 51413 2
131 . 1 1 296 296 GLN N N 15 . 1 1 296 296 GLN H H 1 0.5367 0.011877 . . . 339 GLN N . 339 GLN H 51413 2
132 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 0.14 0.016098 . . . 343 ALA N . 343 ALA H 51413 2
133 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.2994 0.016715 . . . 345 GLU N . 345 GLU H 51413 2
134 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.347 0.039891 . . . 347 SER N . 347 SER H 51413 2
135 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.6173 0.028706 . . . 350 VAL N . 350 VAL H 51413 2
136 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.6708 0.039094 . . . 351 SER N . 351 SER H 51413 2
137 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.9088 0.090173 . . . 352 GLU N . 352 GLU H 51413 2
138 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.7291 0.060541 . . . 353 GLN N . 353 GLN H 51413 2
139 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.8127 0.038731 . . . 355 LYS N . 355 LYS H 51413 2
140 . 1 1 315 315 SER N N 15 . 1 1 315 315 SER H H 1 0.8724 0.042794 . . . 358 SER N . 358 SER H 51413 2
141 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.9171 0.049787 . . . 359 GLY N . 359 GLY H 51413 2
142 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.9567 0.050151 . . . 360 ILE N . 360 ILE H 51413 2
143 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8971 0.041046 . . . 363 GLU N . 363 GLU H 51413 2
144 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 0.934 0.0465 . . . 364 MET N . 364 MET H 51413 2
145 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8877 0.045133 . . . 365 PHE N . 365 PHE H 51413 2
146 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8592 0.039706 . . . 370 ALA N . 370 ALA H 51413 2
147 . 1 1 328 328 ALA N N 15 . 1 1 328 328 ALA H H 1 0.8397 0.040228 . . . 371 ALA N . 371 ALA H 51413 2
148 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 0.7147 0.069143 . . . 372 TYR N . 372 TYR H 51413 2
149 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8723 0.037487 . . . 374 TRP N . 374 TRP H 51413 2
150 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.9512 0.042381 . . . 377 TYR N . 377 TYR H 51413 2
151 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.8252 0.032535 . . . 378 LYS N . 378 LYS H 51413 2
152 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8933 0.032762 . . . 380 VAL N . 380 VAL H 51413 2
153 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.7737 0.028533 . . . 381 ASP N . 381 ASP H 51413 2
154 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6941 0.028433 . . . 382 VAL N . 382 VAL H 51413 2
155 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7947 0.041202 . . . 384 ALA N . 384 ALA H 51413 2
156 . 1 1 346 346 ASP N N 15 . 1 1 346 346 ASP H H 1 0.8795 0.031828 . . . 389 ASP N . 389 ASP H 51413 2
157 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8009 0.040297 . . . 391 CYS N . 391 CYS H 51413 2
158 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7695 0.041576 . . . 392 ASP N . 392 ASP H 51413 2
159 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.8756 0.046552 . . . 393 ILE N . 393 ILE H 51413 2
160 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8284 0.025042 . . . 399 ASP N . 399 ASP H 51413 2
161 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8923 0.03573 . . . 400 MET N . 400 MET H 51413 2
162 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.9282 0.033835 . . . 401 SER N . 401 SER H 51413 2
163 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.9198 0.039544 . . . 403 ILE N . 403 ILE H 51413 2
164 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.9819 0.041617 . . . 404 LYS N . 404 LYS H 51413 2
165 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.7946 0.030509 . . . 405 SER N . 405 SER H 51413 2
166 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.8347 0.043064 . . . 407 LEU N . 407 LEU H 51413 2
167 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.8019 0.031232 . . . 408 GLU N . 408 GLU H 51413 2
168 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.8546 0.03563 . . . 409 ALA N . 409 ALA H 51413 2
169 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.8792 0.034201 . . . 410 ARG N . 410 ARG H 51413 2
170 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7996 0.028903 . . . 412 TYR N . 412 TYR H 51413 2
171 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.7819 0.033969 . . . 413 ARG N . 413 ARG H 51413 2
172 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.8154 0.035099 . . . 414 ASP N . 414 ASP H 51413 2
173 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.8478 0.034341 . . . 415 ALA N . 415 ALA H 51413 2
174 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.7078 0.036239 . . . 416 GLN N . 416 GLN H 51413 2
175 . 1 1 374 374 GLU N N 15 . 1 1 374 374 GLU H H 1 0.786 0.036854 . . . 417 GLU N . 417 GLU H 51413 2
176 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.9231 0.042786 . . . 418 PHE N . 418 PHE H 51413 2
177 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8317 0.048022 . . . 419 GLY N . 419 GLY H 51413 2
178 . 1 1 377 377 ALA N N 15 . 1 1 377 377 ALA H H 1 0.4512 0.083934 . . . 420 ALA N . 420 ALA H 51413 2
179 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.9301 0.035778 . . . 421 ASP N . 421 ASP H 51413 2
180 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.836 0.038294 . . . 422 VAL N . 422 VAL H 51413 2
181 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.9054 0.050395 . . . 423 ARG N . 423 ARG H 51413 2
182 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.818 0.041891 . . . 425 MET N . 425 MET H 51413 2
183 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.9388 0.055644 . . . 426 PHE N . 426 PHE H 51413 2
184 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.842 0.042048 . . . 429 CYS N . 429 CYS H 51413 2
185 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.876 0.045708 . . . 436 ASP N . 436 ASP H 51413 2
186 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.5856 0.12569 . . . 437 HIS N . 437 HIS H 51413 2
187 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.9131 0.065033 . . . 438 GLU N . 438 GLU H 51413 2
188 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.8094 0.042949 . . . 440 VAL N . 440 VAL H 51413 2
189 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.7788 0.057538 . . . 441 ALA N . 441 ALA H 51413 2
190 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.9049 0.070037 . . . 445 LYS N . 445 LYS H 51413 2
191 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9526 0.091939 . . . 447 GLN N . 447 GLN H 51413 2
192 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 1.0735 0.065157 . . . 450 PHE N . 450 PHE H 51413 2
193 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.7804 0.076014 . . . 451 GLU N . 451 GLU H 51413 2
194 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.9845 0.082309 . . . 453 ARG N . 453 ARG H 51413 2
195 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.8612 0.076353 . . . 454 PHE N . 454 PHE H 51413 2
196 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7867 0.03664 . . . 455 ALA N . 455 ALA H 51413 2
197 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.2357 0.02125 . . . 460 GLU N . 460 GLU H 51413 2
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