NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576800 |
2mlz   |
19837 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlz
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 241
_Distance_constraint_stats_list.Viol_count 2125
_Distance_constraint_stats_list.Viol_total 106175.711
_Distance_constraint_stats_list.Viol_max 22.096
_Distance_constraint_stats_list.Viol_rms 3.5174
_Distance_constraint_stats_list.Viol_average_all_restraints 4.4056
_Distance_constraint_stats_list.Viol_average_violations_only 4.9965
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 GLU 209.744 22.096 5 10 [**-*+*****]
1 19 THR 602.188 19.269 8 10 [**-****+**]
1 23 GLY 147.544 8.643 7 10 [***-**+***]
1 24 ARG 135.722 7.956 7 10 [******+-**]
1 25 ARG 138.843 8.458 2 10 [*+**-*****]
1 26 VAL 130.199 7.419 6 10 [**-**+****]
1 27 THR 293.183 8.643 7 10 [***-**+***]
1 28 ILE 286.847 8.604 6 10 [*****+*-**]
1 29 THR 260.746 8.458 2 10 [*+****-***]
1 30 ILE 197.683 7.419 6 10 [*****+***-]
1 31 ALA 148.874 8.457 9 10 [******-*+*]
1 32 ALA 152.729 8.604 6 10 [****-+****]
1 33 ASP 128.564 7.097 9 10 [********+-]
1 34 SER 72.515 3.750 3 10 [*-+*******]
1 35 ILE 3.235 0.461 3 0 "[ . 1]"
1 36 GLU 1.605 0.361 5 0 "[ . 1]"
1 37 THR 6.661 2.899 10 1 "[ . +]"
1 38 ALA 5.031 0.842 10 3 "[ - . * +]"
1 139 PRO 220.798 8.019 9 10 [*****-**+*]
1 140 ILE 127.331 7.044 10 10 [**-******+]
1 142 GLU 165.072 5.612 10 10 [*****-***+]
1 143 VAL 142.075 8.019 9 10 [**-*****+*]
1 144 THR 130.992 7.044 10 10 [**-******+]
1 145 ASP 86.349 5.612 10 10 [*-*******+]
1 147 ASP 3.661 0.471 6 0 "[ . 1]"
1 152 LEU 10.483 0.977 5 10 [****+*-***]
1 153 ASP 9.894 1.051 2 10 [*+****-***]
1 155 LEU 11.335 0.977 5 10 [****+*-***]
1 156 ARG 23.735 2.071 8 10 [******-+**]
1 157 LYS 78.226 4.879 4 10 [***+***-**]
1 158 GLN 126.948 7.404 2 10 [*+**-*****]
1 159 GLN 148.737 8.788 2 10 [*+*****-**]
1 160 ALA 174.197 9.303 2 10 [*+********]
1 161 THR 211.162 8.037 7 10 [******+-**]
1 162 TRP 126.948 7.404 2 10 [*+**-*****]
1 163 LYS 295.557 9.449 7 10 [*-****+***]
1 164 GLU 292.318 9.303 2 10 [*+********]
1 165 LYS 246.332 8.037 7 10 [-*****+***]
1 167 GLY 331.015 10.231 7 10 [*-****+***]
1 168 ALA 251.608 7.199 10 10 [*****-***+]
1 169 VAL 204.570 6.913 10 10 [-********+]
1 170 GLU 71.657 4.819 2 10 [-+********]
1 171 ALA 303.511 10.231 7 10 [******+-**]
1 172 GLU 288.383 9.861 1 10 [+****-****]
1 173 ASP 252.415 8.988 1 10 [+*********]
1 174 ARG 244.365 9.579 1 10 [+*********]
1 175 VAL 269.582 8.818 3 10 [**+****-**]
1 176 THR 349.482 9.861 1 10 [+-********]
1 177 ILE 328.736 9.627 4 10 [*-*+******]
1 178 ASP 343.466 9.579 1 10 [+*****-***]
1 179 PHE 326.482 9.621 5 10 [****+****-]
1 180 THR 338.889 9.776 4 10 [***+***-**]
1 181 GLY 268.258 9.627 4 10 [***+******]
1 182 SER 215.808 9.488 4 10 [***+****-*]
1 183 VAL 240.173 9.621 5 10 [**-*+*****]
1 184 ASP 158.520 9.349 10 10 [*******-*+]
1 185 GLY 197.900 6.846 3 10 [-*+*******]
1 186 GLU 45.050 3.102 7 10 [******+*-*]
1 187 GLU 63.107 4.462 4 10 [**-+******]
1 188 PHE 97.515 6.846 3 10 [-*+*******]
1 194 SER 137.313 7.753 4 10 [-**+******]
1 195 ASP 134.684 7.482 4 10 [***+****-*]
1 196 PHE 134.349 7.613 3 10 [**+**-****]
1 197 VAL 138.272 8.482 4 10 [**-+******]
1 198 LEU 233.283 7.753 4 10 [-**+******]
1 199 ALA 215.932 7.482 4 10 [-**+******]
1 200 MET 260.149 7.613 3 10 [**+-******]
1 201 GLY 255.851 8.482 4 10 [***+***-**]
1 202 GLN 198.947 6.864 4 10 [***+*****-]
1 203 GLY 140.118 7.642 10 10 [-********+]
1 204 ARG 125.800 7.346 1 10 [+**-******]
1 205 MET 198.694 7.244 4 10 [*-*+******]
1 206 ILE 124.431 6.864 4 10 [-**+******]
1 207 PRO 58.870 7.642 10 10 [*****-***+]
1 208 GLY 28.388 1.453 10 10 [*******-*+]
1 209 PHE 135.293 4.802 3 10 [*-+*******]
1 210 GLU 21.454 1.554 2 10 [-+********]
1 211 ASP 19.737 1.453 10 10 [*******-*+]
1 212 GLY 8.651 1.173 9 5 "[* -* +*]"
1 214 LYS 54.178 3.149 5 10 [*-**+*****]
1 219 GLY 91.367 5.521 7 10 [**-***+***]
1 222 PHE 91.367 5.521 7 10 [**-***+***]
1 223 THR 100.002 5.898 1 10 [+*-*******]
1 224 ILE 258.918 8.615 9 10 [**-*****+*]
1 226 VAL 100.002 5.898 1 10 [+*-*******]
1 227 THR 228.178 6.741 9 10 [**-*****+*]
1 228 PHE 218.797 8.615 9 10 [****-***+*]
1 230 GLU 98.536 6.371 9 10 [***-****+*]
1 231 GLU 301.082 6.855 10 10 [*****-***+]
1 232 TYR 147.743 5.380 10 10 [****-****+]
1 233 HIS 81.086 4.662 5 10 [*-**+*****]
1 234 ALA 164.794 6.371 9 10 [*****-**+*]
1 235 GLU 177.368 6.855 10 10 [****-****+]
1 236 ASN 149.458 5.380 10 10 [****-****+]
1 237 LEU 139.769 4.662 5 10 [**-*+*****]
1 239 GLY 224.949 8.826 7 10 [****-*+***]
1 240 LYS 214.292 8.745 7 10 [****-*+***]
1 241 ALA 58.683 3.970 4 10 [**-+******]
1 242 ALA 130.445 7.212 7 10 [******+-**]
1 243 LYS 310.369 8.826 7 10 [****-*+***]
1 244 PHE 278.547 8.745 7 10 [**-***+***]
1 245 ALA 180.615 9.719 7 10 [*-****+***]
1 246 ILE 222.086 7.212 7 10 [****-*+***]
1 247 ASN 152.354 8.265 7 10 [****-*+***]
1 248 LEU 129.638 7.071 10 10 [**-******+]
1 249 LYS 91.640 5.419 7 10 [****-*+***]
1 250 LYS 180.615 9.719 7 10 [*-****+***]
1 253 GLU 141.986 6.290 7 10 [******+*-*]
1 254 ARG 153.413 8.644 6 10 [*****+-***]
1 255 GLU 135.886 8.304 7 10 [***-**+***]
1 256 LEU 208.267 6.764 1 10 [+*******-*]
1 257 PRO 204.243 8.207 3 10 [*-+*******]
1 258 GLU 251.641 8.644 6 10 [****-+****]
1 259 LEU 196.304 8.304 7 10 [*****-+***]
1 260 THR 124.947 6.764 1 10 [+******-**]
1 261 ALA 146.750 8.207 3 10 [**+****-**]
1 262 GLU 119.072 6.545 2 10 [*+******-*]
1 263 PHE 60.417 3.797 4 10 [***+*-****]
1 264 ILE 0.152 0.080 5 0 "[ . 1]"
1 265 LYS 1.672 0.164 2 0 "[ . 1]"
1 266 ARG 20.844 2.001 1 10 [+*******-*]
1 268 GLY 0.651 0.093 9 0 "[ . 1]"
1 271 ASP 238.493 8.002 3 10 [**+-******]
1 272 GLY 70.810 4.245 4 10 [***+**-***]
1 273 SER 1.852 0.428 5 0 "[ . 1]"
1 274 VAL 99.695 6.082 5 10 [***-+*****]
1 275 GLU 143.018 8.002 3 10 [**+-******]
1 276 GLY 70.810 4.245 4 10 [***+**-***]
1 277 LEU 1.852 0.428 5 0 "[ . 1]"
1 278 ARG 17.980 1.367 2 10 [*+*-******]
1 279 ALA 4.008 0.485 9 0 "[ . 1]"
1 281 VAL 17.767 1.367 2 10 [*+*-******]
1 282 ARG 0.804 0.157 7 0 "[ . 1]"
1 284 ASN 0.667 0.103 2 0 "[ . 1]"
1 286 GLU 1.399 0.157 7 0 "[ . 1]"
1 287 ARG 18.254 1.863 6 8 "[*-**.+ ***]"
1 288 GLU 0.667 0.103 2 0 "[ . 1]"
1 289 LEU 0.000 0.000 . 0 "[ . 1]"
1 290 LYS 1.252 0.123 4 0 "[ . 1]"
1 291 SER 18.381 1.863 6 8 "[*-**.+ ***]"
1 292 ALA 0.553 0.098 5 0 "[ . 1]"
1 293 ILE 0.182 0.039 8 0 "[ . 1]"
1 294 ARG 1.125 0.106 9 0 "[ . 1]"
1 295 ASN 0.315 0.086 1 0 "[ . 1]"
1 296 ARG 1.384 0.137 2 0 "[ . 1]"
1 297 VAL 0.182 0.039 8 0 "[ . 1]"
1 298 LYS 9.011 0.922 3 10 [**+***-***]
1 299 SER 0.327 0.035 1 0 "[ . 1]"
1 300 GLN 0.831 0.137 2 0 "[ . 1]"
1 301 ALA 8.409 0.922 3 10 [**+***-***]
1 302 ILE 0.134 0.078 9 0 "[ . 1]"
1 303 GLU 0.139 0.025 8 0 "[ . 1]"
1 310 ASP 553.384 22.096 5 10 [**-*+*****]
1 312 ASP 258.548 15.515 8 10 [**-****+**]
1 318 ILE 17.503 1.698 9 10 [**-*****+*]
1 320 SER 17.503 1.698 9 10 [**-*****+*]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 GLU O 1 310 ASP N 2.900 2.700 3.100 24.074 23.054 25.196 22.096 5 10 [**-*+*****] 1
2 1 19 THR H 1 310 ASP O 1.900 . 2.000 19.674 18.038 21.269 19.269 8 10 [**-****+**] 1
3 1 19 THR N 1 310 ASP O 2.900 2.700 3.100 19.790 18.043 21.310 18.210 8 10 [**-****+**] 1
4 1 19 THR O 1 312 ASP H 1.900 . 2.000 15.403 12.151 17.515 15.515 8 10 [**-****+**] 1
5 1 19 THR O 1 312 ASP N 2.900 2.700 3.100 15.552 12.383 17.611 14.511 4 10 [**-+******] 1
6 1 23 GLY O 1 27 THR H 1.900 . 2.000 9.688 8.629 10.643 8.643 7 10 [***-**+***] 1
7 1 23 GLY O 1 27 THR N 2.900 2.700 3.100 10.167 9.189 11.124 8.024 7 10 [***-**+***] 1
8 1 24 ARG O 1 28 ILE H 1.900 . 2.000 9.152 8.562 9.956 7.956 7 10 [****-*+***] 1
9 1 24 ARG O 1 28 ILE N 2.900 2.700 3.100 9.520 8.940 10.365 7.265 7 10 [******+-**] 1
10 1 25 ARG O 1 29 THR H 1.900 . 2.000 9.347 8.651 10.458 8.458 2 10 [*+**-*****] 1
11 1 25 ARG O 1 29 THR N 2.900 2.700 3.100 9.637 9.044 10.750 7.650 2 10 [*+**-*****] 1
12 1 26 VAL O 1 30 ILE H 1.900 . 2.000 8.895 8.553 9.419 7.419 6 10 [**-**+****] 1
13 1 26 VAL O 1 30 ILE N 2.900 2.700 3.100 9.225 8.958 9.617 6.517 6 10 [**-**+****] 1
14 1 27 THR O 1 31 ALA H 1.900 . 2.000 9.739 9.098 10.457 8.457 9 10 [******-*+*] 1
15 1 27 THR O 1 31 ALA N 2.900 2.700 3.100 9.925 9.447 10.534 7.434 9 10 [******-*+*] 1
16 1 28 ILE O 1 32 ALA H 1.900 . 2.000 10.141 9.670 10.604 8.604 6 10 [****-+****] 1
17 1 28 ILE O 1 32 ALA N 2.900 2.700 3.100 10.072 9.609 10.543 7.443 6 10 [****-+****] 1
18 1 29 THR O 1 33 ASP H 1.900 . 2.000 8.375 7.679 9.097 7.097 9 10 [******-*+*] 1
19 1 29 THR O 1 33 ASP N 2.900 2.700 3.100 8.915 8.351 9.528 6.428 9 10 [******-*+*] 1
20 1 30 ILE O 1 34 SER H 1.900 . 2.000 5.565 5.247 5.750 3.750 3 10 [**+******-] 1
21 1 30 ILE O 1 34 SER N 2.900 2.700 3.100 6.283 6.010 6.503 3.403 3 10 [**+******-] 1
22 1 31 ALA O 1 35 ILE H 1.900 . 2.000 2.238 2.077 2.461 0.461 3 0 "[ . 1]" 1
23 1 31 ALA O 1 35 ILE N 2.900 2.700 3.100 3.140 2.927 3.404 0.304 3 0 "[ . 1]" 1
24 1 32 ALA O 1 36 GLU H 1.900 . 2.000 2.122 2.018 2.361 0.361 5 0 "[ . 1]" 1
25 1 32 ALA O 1 36 GLU N 2.900 2.700 3.100 3.056 2.879 3.314 0.214 5 0 "[ . 1]" 1
26 1 33 ASP O 1 37 THR H 1.900 . 2.000 2.473 2.036 4.899 2.899 10 1 "[ . +]" 1
27 1 33 ASP O 1 37 THR N 2.900 2.700 3.100 3.226 2.865 4.296 1.196 10 1 "[ . +]" 1
28 1 34 SER O 1 38 ALA H 1.900 . 2.000 2.342 2.106 2.842 0.842 10 3 "[ - . * +]" 1
29 1 34 SER O 1 38 ALA N 2.900 2.700 3.100 3.215 2.973 3.818 0.718 10 1 "[ . +]" 1
30 1 139 PRO O 1 142 GLU H 1.900 . 2.000 6.593 6.475 6.845 4.845 5 10 [***-+*****] 1
31 1 139 PRO O 1 142 GLU N 2.900 2.700 3.100 6.379 6.241 6.648 3.548 5 10 [****+-****] 1
32 1 139 PRO O 1 143 VAL H 1.900 . 2.000 9.703 9.531 10.019 8.019 9 10 [**-*****+*] 1
33 1 139 PRO O 1 143 VAL N 2.900 2.700 3.100 9.605 9.416 9.911 6.811 9 10 [**-*****+*] 1
34 1 140 ILE O 1 144 THR H 1.900 . 2.000 8.591 8.309 9.044 7.044 10 10 [**-******+] 1
35 1 140 ILE O 1 144 THR N 2.900 2.700 3.100 9.242 8.951 9.707 6.607 10 10 [**-******+] 1
36 1 142 GLU O 1 145 ASP H 1.900 . 2.000 6.938 6.647 7.612 5.612 10 10 [*-*******+] 1
37 1 142 GLU O 1 145 ASP N 2.900 2.700 3.100 6.797 6.552 7.372 4.272 10 10 [*-*******+] 1
38 1 144 THR O 1 147 ASP H 1.900 . 2.000 2.366 2.236 2.471 0.471 6 0 "[ . 1]" 1
39 1 144 THR O 1 147 ASP N 2.900 2.700 3.100 2.992 2.860 3.075 . 0 0 "[ . 1]" 1
40 1 152 LEU O 1 155 LEU H 1.900 . 2.000 2.825 2.677 2.977 0.977 5 10 [****+*-***] 1
41 1 152 LEU O 1 155 LEU N 2.900 2.700 3.100 3.324 3.225 3.398 0.298 5 0 "[ . 1]" 1
42 1 153 ASP O 1 156 ARG H 1.900 . 2.000 2.798 2.596 3.051 1.051 2 10 [*+****-***] 1
43 1 153 ASP O 1 156 ARG N 2.900 2.700 3.100 3.251 3.069 3.407 0.307 2 0 "[ . 1]" 1
44 1 153 ASP O 1 157 LYS H 1.900 . 2.000 2.038 2.012 2.060 0.060 9 0 "[ . 1]" 1
45 1 153 ASP O 1 157 LYS N 2.900 2.700 3.100 2.858 2.805 2.893 . 0 0 "[ . 1]" 1
46 1 155 LEU O 1 159 GLN H 1.900 . 2.000 2.085 2.031 2.142 0.142 4 0 "[ . 1]" 1
47 1 155 LEU O 1 159 GLN N 2.900 2.700 3.100 2.963 2.899 3.101 0.001 4 0 "[ . 1]" 1
48 1 156 ARG O 1 160 ALA H 1.900 . 2.000 3.368 3.013 4.071 2.071 8 10 [*-*****+**] 1
49 1 156 ARG O 1 160 ALA N 2.900 2.700 3.100 3.084 2.979 3.560 0.460 8 0 "[ . 1]" 1
50 1 157 LYS O 1 161 THR H 1.900 . 2.000 6.460 5.695 6.879 4.879 4 10 [***+***-**] 1
51 1 157 LYS O 1 161 THR N 2.900 2.700 3.100 6.425 5.952 6.861 3.761 4 10 [***+***-**] 1
52 1 158 GLN O 1 162 TRP H 1.900 . 2.000 8.843 7.841 9.404 7.404 2 10 [*+**-*****] 1
53 1 158 GLN O 1 162 TRP N 2.900 2.700 3.100 8.952 7.983 9.482 6.382 2 10 [*+**-*****] 1
54 1 159 GLN O 1 163 LYS H 1.900 . 2.000 9.883 9.212 10.788 8.788 2 10 [*+*****-**] 1
55 1 159 GLN O 1 163 LYS N 2.900 2.700 3.100 10.006 9.384 10.618 7.518 2 10 [*+*****-**] 1
56 1 160 ALA O 1 164 GLU H 1.900 . 2.000 10.595 10.171 11.303 9.303 2 10 [*+*****-**] 1
57 1 160 ALA O 1 164 GLU N 2.900 2.700 3.100 10.503 10.036 11.408 8.308 2 10 [*+**-*****] 1
58 1 161 THR O 1 165 LYS H 1.900 . 2.000 9.165 8.654 10.037 8.037 7 10 [**-***+***] 1
59 1 161 THR O 1 165 LYS N 2.900 2.700 3.100 9.266 8.834 9.838 6.738 7 10 [******+-**] 1
60 1 163 LYS O 1 167 GLY H 1.900 . 2.000 9.806 8.056 11.449 9.449 7 10 [*-****+***] 1
61 1 163 LYS O 1 167 GLY N 2.900 2.700 3.100 10.061 8.637 11.605 8.505 7 10 [*-****+***] 1
62 1 164 GLU O 1 168 ALA H 1.900 . 2.000 8.745 7.774 9.199 7.199 10 10 [*-*******+] 1
63 1 164 GLU O 1 168 ALA N 2.900 2.700 3.100 9.589 8.620 10.125 7.025 10 10 [*-*******+] 1
64 1 165 LYS O 1 169 VAL H 1.900 . 2.000 8.489 7.713 8.913 6.913 10 10 [-********+] 1
65 1 165 LYS O 1 169 VAL N 2.900 2.700 3.100 7.913 7.227 8.211 5.111 6 10 [-****+****] 1
66 1 167 GLY O 1 171 ALA H 1.900 . 2.000 11.724 10.652 12.231 10.231 7 10 [******+-**] 1
67 1 167 GLY O 1 171 ALA N 2.900 2.700 3.100 11.710 10.361 12.182 9.082 7 10 [******+-**] 1
68 1 168 ALA O 1 172 GLU H 1.900 . 2.000 8.149 6.816 8.741 6.741 3 10 [**+**-****] 1
69 1 168 ALA O 1 172 GLU N 2.900 2.700 3.100 8.878 7.618 9.430 6.330 3 10 [**+**-****] 1
70 1 169 VAL O 1 173 ASP H 1.900 . 2.000 6.800 6.504 7.101 5.101 6 10 [-****+****] 1
71 1 169 VAL O 1 173 ASP N 2.900 2.700 3.100 7.455 7.257 7.624 4.524 3 10 [-*+*******] 1
72 1 170 GLU O 1 174 ARG H 1.900 . 2.000 6.215 5.629 6.819 4.819 2 10 [*+-*******] 1
73 1 170 GLU O 1 174 ARG N 2.900 2.700 3.100 6.050 5.550 6.481 3.381 2 10 [-+********] 1
74 1 171 ALA O 1 175 VAL H 1.900 . 2.000 8.369 7.491 9.115 7.115 1 10 [+******-**] 1
75 1 171 ALA O 1 175 VAL N 2.900 2.700 3.100 8.748 8.171 9.206 6.106 1 10 [+******-**] 1
76 1 172 GLU O 1 176 THR H 1.900 . 2.000 10.973 10.103 11.861 9.861 1 10 [+*****-***] 1
77 1 172 GLU O 1 176 THR N 2.900 2.700 3.100 11.038 10.145 11.736 8.636 1 10 [+-********] 1
78 1 173 ASP O 1 177 ILE H 1.900 . 2.000 10.505 9.419 10.988 8.988 1 10 [+-********] 1
79 1 173 ASP O 1 177 ILE N 2.900 2.700 3.100 10.682 9.507 11.212 8.112 1 10 [+-********] 1
80 1 174 ARG O 1 178 ASP H 1.900 . 2.000 11.176 10.447 11.579 9.579 1 10 [+*****-***] 1
81 1 174 ARG O 1 178 ASP N 2.900 2.700 3.100 11.194 10.414 11.661 8.561 1 10 [+*****-***] 1
82 1 175 VAL O 1 179 PHE H 1.900 . 2.000 10.008 8.658 10.818 8.818 3 10 [**+******-] 1
83 1 175 VAL O 1 179 PHE N 2.900 2.700 3.100 10.034 8.707 10.966 7.866 3 10 [**+******-] 1
84 1 176 THR O 1 180 THR H 1.900 . 2.000 11.494 11.129 11.776 9.776 4 10 [-**+******] 1
85 1 176 THR O 1 180 THR N 2.900 2.700 3.100 11.642 11.302 11.949 8.849 7 10 [-*****+***] 1
86 1 177 ILE O 1 181 GLY H 1.900 . 2.000 10.821 10.272 11.627 9.627 4 10 [*-*+******] 1
87 1 177 ILE O 1 181 GLY N 2.900 2.700 3.100 11.067 10.537 11.656 8.556 4 10 [*-*+******] 1
88 1 178 ASP O 1 182 SER H 1.900 . 2.000 10.988 10.474 11.488 9.488 4 10 [***+**-***] 1
89 1 178 ASP O 1 182 SER N 2.900 2.700 3.100 11.187 10.779 11.683 8.583 4 10 [***+**-***] 1
90 1 179 PHE O 1 183 VAL H 1.900 . 2.000 11.344 10.767 11.621 9.621 5 10 [****+***-*] 1
91 1 179 PHE O 1 183 VAL N 2.900 2.700 3.100 11.462 11.054 11.793 8.693 5 10 [****+***-*] 1
92 1 180 THR O 1 184 ASP H 1.900 . 2.000 10.352 9.381 11.349 9.349 10 10 [*******-*+] 1
93 1 180 THR O 1 184 ASP N 2.900 2.700 3.100 10.600 9.752 11.355 8.255 10 10 [*******-*+] 1
94 1 181 GLY O 1 185 GLY H 1.900 . 2.000 7.208 6.593 7.818 5.818 7 10 [***-**+***] 1
95 1 181 GLY O 1 185 GLY N 2.900 2.700 3.100 7.931 7.292 8.581 5.481 3 10 [**+-******] 1
96 1 182 SER O 1 186 GLU H 1.900 . 2.000 4.553 3.782 5.102 3.102 7 10 [******+*-*] 1
97 1 182 SER O 1 186 GLU N 2.900 2.700 3.100 5.052 4.441 5.613 2.513 7 10 [******+*-*] 1
98 1 183 VAL O 1 187 GLU H 1.900 . 2.000 6.024 5.640 6.462 4.462 4 10 [**-+******] 1
99 1 183 VAL O 1 187 GLU N 2.900 2.700 3.100 5.387 4.884 5.888 2.788 4 10 [**-+******] 1
100 1 185 GLY O 1 188 PHE H 1.900 . 2.000 7.328 6.226 8.846 6.846 3 10 [**+**-****] 1
101 1 185 GLY O 1 188 PHE N 2.900 2.700 3.100 7.523 6.700 8.497 5.397 3 10 [-*+*******] 1
102 1 194 SER O 1 198 LEU H 1.900 . 2.000 9.298 8.917 9.753 7.753 4 10 [-**+******] 1
103 1 194 SER O 1 198 LEU N 2.900 2.700 3.100 9.534 9.190 9.964 6.864 2 10 [-+********] 1
104 1 195 ASP O 1 199 ALA H 1.900 . 2.000 9.082 8.712 9.482 7.482 4 10 [***+**-***] 1
105 1 195 ASP O 1 199 ALA N 2.900 2.700 3.100 9.487 9.097 9.883 6.783 4 10 [***+****-*] 1
106 1 196 PHE O 1 200 MET H 1.900 . 2.000 9.082 8.644 9.613 7.613 3 10 [**+**-****] 1
107 1 196 PHE O 1 200 MET N 2.900 2.700 3.100 9.453 9.081 9.845 6.745 3 10 [**+**-****] 1
108 1 197 VAL O 1 201 GLY H 1.900 . 2.000 9.442 8.660 10.482 8.482 4 10 [**-+******] 1
109 1 197 VAL O 1 201 GLY N 2.900 2.700 3.100 9.486 8.810 10.378 7.278 4 10 [**-+******] 1
110 1 198 LEU O 1 202 GLN H 1.900 . 2.000 6.929 6.261 7.516 5.516 10 10 [-********+] 1
111 1 198 LEU O 1 202 GLN N 2.900 2.700 3.100 7.768 7.193 8.338 5.238 2 10 [-+********] 1
112 1 199 ALA O 1 203 GLY H 1.900 . 2.000 6.747 6.068 7.344 5.344 6 10 [-****+****] 1
113 1 199 ALA O 1 203 GLY N 2.900 2.700 3.100 6.478 6.032 6.899 3.799 6 10 [-****+****] 1
114 1 200 MET O 1 204 ARG H 1.900 . 2.000 8.432 7.557 9.346 7.346 1 10 [+**-******] 1
115 1 200 MET O 1 204 ARG N 2.900 2.700 3.100 9.248 8.322 10.231 7.131 1 10 [+**-******] 1
116 1 201 GLY O 1 205 MET H 1.900 . 2.000 8.005 7.194 9.244 7.244 4 10 [***+***-**] 1
117 1 201 GLY O 1 205 MET N 2.900 2.700 3.100 8.853 8.024 10.065 6.965 4 10 [***+***-**] 1
118 1 202 GLN O 1 206 ILE H 1.900 . 2.000 7.945 6.864 8.864 6.864 4 10 [***+*****-] 1
119 1 202 GLN O 1 206 ILE N 2.900 2.700 3.100 7.453 6.602 8.333 5.233 4 10 [***+*****-] 1
120 1 203 GLY O 1 207 PRO N 2.900 2.700 3.100 8.987 7.315 10.742 7.642 10 10 [*****-***+] 1
121 1 205 MET O 1 209 PHE H 1.900 . 2.000 6.208 5.359 6.802 4.802 3 10 [*-+*******] 1
122 1 205 MET O 1 209 PHE N 2.900 2.700 3.100 7.003 6.164 7.602 4.502 10 10 [*-*******+] 1
123 1 206 ILE O 1 210 GLU H 1.900 . 2.000 3.160 2.575 3.554 1.554 2 10 [-+********] 1
124 1 206 ILE O 1 210 GLU N 2.900 2.700 3.100 4.086 3.547 4.419 1.319 9 9 "[ *-*****+*]" 1
125 1 208 GLY O 1 211 ASP H 1.900 . 2.000 3.258 3.029 3.453 1.453 10 10 [*******-*+] 1
126 1 208 GLY O 1 211 ASP N 2.900 2.700 3.100 3.816 3.574 4.049 0.949 5 9 "[** *+**-**]" 1
127 1 208 GLY O 1 212 GLY H 1.900 . 2.000 2.579 2.137 3.173 1.173 9 5 "[* -* +*]" 1
128 1 208 GLY O 1 212 GLY N 2.900 2.700 3.100 3.363 2.952 3.993 0.893 9 2 "[ - +1]" 1
129 1 209 PHE O 1 214 LYS H 1.900 . 2.000 4.879 4.608 5.149 3.149 5 10 [*-**+*****] 1
130 1 209 PHE O 1 214 LYS N 2.900 2.700 3.100 5.638 5.328 5.914 2.814 5 10 [*-**+*****] 1
131 1 219 GLY O 1 222 PHE H 1.900 . 2.000 7.133 6.582 7.521 5.521 7 10 [**-***+***] 1
132 1 219 GLY O 1 222 PHE N 2.900 2.700 3.100 7.104 6.591 7.494 4.394 7 10 [**-***+***] 1
133 1 223 THR O 1 226 VAL H 1.900 . 2.000 7.452 7.191 7.898 5.898 1 10 [+*-*******] 1
134 1 223 THR O 1 226 VAL N 2.900 2.700 3.100 7.648 7.414 7.988 4.888 1 10 [+*-*******] 1
135 1 224 ILE O 1 227 THR H 1.900 . 2.000 7.907 7.506 8.396 6.396 9 10 [**-*****+*] 1
136 1 224 ILE O 1 227 THR N 2.900 2.700 3.100 7.571 7.224 8.048 4.948 9 10 [**-*****+*] 1
137 1 224 ILE O 1 228 PHE H 1.900 . 2.000 10.196 9.834 10.615 8.615 9 10 [**-*****+*] 1
138 1 224 ILE O 1 228 PHE N 2.900 2.700 3.100 10.417 10.013 10.848 7.748 9 10 [**-*****+*] 1
139 1 227 THR O 1 231 GLU H 1.900 . 2.000 8.461 8.134 8.741 6.741 9 10 [******-*+*] 1
140 1 227 THR O 1 231 GLU N 2.900 2.700 3.100 9.078 8.810 9.374 6.274 9 10 [******-*+*] 1
141 1 228 PHE O 1 232 TYR H 1.900 . 2.000 5.315 5.069 5.519 3.519 4 10 [***+-*****] 1
142 1 228 PHE O 1 232 TYR N 2.900 2.700 3.100 6.152 5.918 6.383 3.283 4 10 [***+-*****] 1
143 1 230 GLU O 1 234 ALA H 1.900 . 2.000 7.467 6.378 8.371 6.371 9 10 [***-****+*] 1
144 1 230 GLU O 1 234 ALA N 2.900 2.700 3.100 7.487 6.518 8.084 4.984 9 10 [***-****+*] 1
145 1 231 GLU O 1 234 ALA H 1.900 . 2.000 5.722 5.065 6.548 4.548 10 10 [***-*****+] 1
146 1 231 GLU O 1 234 ALA N 2.900 2.700 3.100 6.004 5.483 6.593 3.493 10 10 [*****-***+] 1
147 1 231 GLU O 1 235 GLU H 1.900 . 2.000 8.220 7.395 8.855 6.855 10 10 [*****-***+] 1
148 1 231 GLU O 1 235 GLU N 2.900 2.700 3.100 7.923 7.165 8.432 5.332 10 10 [*****-***+] 1
149 1 232 TYR O 1 236 ASN H 1.900 . 2.000 6.725 6.298 7.380 5.380 10 10 [*-*******+] 1
150 1 232 TYR O 1 236 ASN N 2.900 2.700 3.100 6.783 6.316 7.345 4.245 10 10 [*****-***+] 1
151 1 233 HIS O 1 237 LEU H 1.900 . 2.000 6.131 5.812 6.662 4.662 5 10 [*-**+*****] 1
152 1 233 HIS O 1 237 LEU N 2.900 2.700 3.100 7.077 6.785 7.597 4.497 5 10 [*-**+*****] 1
153 1 235 GLU O 1 239 GLY H 1.900 . 2.000 6.168 5.830 6.444 4.444 2 10 [*+**-*****] 1
154 1 235 GLU O 1 239 GLY N 2.900 2.700 3.100 5.625 5.331 5.876 2.776 2 10 [*+**-*****] 1
155 1 236 ASN O 1 240 LYS H 1.900 . 2.000 5.478 4.695 5.979 3.979 7 10 [****-*+***] 1
156 1 236 ASN O 1 240 LYS N 2.900 2.700 3.100 6.160 5.255 6.659 3.559 7 10 [****-*+***] 1
157 1 237 LEU O 1 241 ALA H 1.900 . 2.000 5.724 5.271 5.970 3.970 4 10 [**-+******] 1
158 1 237 LEU O 1 241 ALA N 2.900 2.700 3.100 5.244 4.885 5.505 2.405 1 10 [+*-*******] 1
159 1 239 GLY O 1 243 LYS H 1.900 . 2.000 10.409 10.074 10.826 8.826 7 10 [-*****+***] 1
160 1 239 GLY O 1 243 LYS N 2.900 2.700 3.100 10.493 10.212 10.899 7.799 7 10 [-*****+***] 1
161 1 240 LYS O 1 244 PHE H 1.900 . 2.000 9.886 9.352 10.745 8.745 7 10 [***-**+***] 1
162 1 240 LYS O 1 244 PHE N 2.900 2.700 3.100 10.105 9.583 10.748 7.648 3 10 [**+-******] 1
163 1 242 ALA O 1 246 ILE H 1.900 . 2.000 8.847 8.374 9.212 7.212 7 10 [******+-**] 1
164 1 242 ALA O 1 246 ILE N 2.900 2.700 3.100 9.298 8.829 9.688 6.588 7 10 [******+-**] 1
165 1 243 LYS O 1 247 ASN H 1.900 . 2.000 10.073 9.720 10.265 8.265 7 10 [****-*+***] 1
166 1 243 LYS O 1 247 ASN N 2.900 2.700 3.100 10.262 9.983 10.507 7.407 7 10 [****-*+***] 1
167 1 244 PHE O 1 248 LEU H 1.900 . 2.000 8.878 8.677 9.071 7.071 10 10 [****-****+] 1
168 1 244 PHE O 1 248 LEU N 2.900 2.700 3.100 9.186 8.996 9.367 6.267 10 10 [**-******+] 1
169 1 245 ALA O 1 250 LYS H 1.900 . 2.000 11.178 10.698 11.719 9.719 7 10 [*-****+***] 1
170 1 245 ALA O 1 250 LYS N 2.900 2.700 3.100 11.983 11.562 12.478 9.378 7 10 [*-****+***] 1
171 1 246 ILE O 1 249 LYS H 1.900 . 2.000 7.093 6.727 7.419 5.419 7 10 [**-***+***] 1
172 1 246 ILE O 1 249 LYS N 2.900 2.700 3.100 7.171 6.929 7.377 4.277 9 10 [****-***+*] 1
173 1 253 GLU O 1 256 LEU H 1.900 . 2.000 6.766 6.327 7.489 5.489 10 10 [********-+] 1
174 1 253 GLU O 1 256 LEU N 2.900 2.700 3.100 6.681 6.364 7.251 4.151 10 10 [********-+] 1
175 1 253 GLU O 1 257 PRO N 2.900 2.700 3.100 8.951 8.657 9.390 6.290 7 10 [*-****+***] 1
176 1 254 ARG O 1 258 GLU H 1.900 . 2.000 10.252 10.015 10.644 8.644 6 10 [*****+-***] 1
177 1 254 ARG O 1 258 GLU N 2.900 2.700 3.100 10.189 9.920 10.524 7.424 6 10 [*****+-***] 1
178 1 255 GLU O 1 259 LEU H 1.900 . 2.000 9.340 8.285 10.304 8.304 7 10 [***-**+***] 1
179 1 255 GLU O 1 259 LEU N 2.900 2.700 3.100 9.349 8.777 10.093 6.993 7 10 [***-**+***] 1
180 1 256 LEU O 1 260 THR H 1.900 . 2.000 8.479 8.151 8.764 6.764 1 10 [+***-*****] 1
181 1 256 LEU O 1 260 THR N 2.900 2.700 3.100 9.100 8.701 9.433 6.333 1 10 [+******-**] 1
182 1 257 PRO O 1 261 ALA H 1.900 . 2.000 9.944 9.640 10.207 8.207 3 10 [**+****-**] 1
183 1 257 PRO O 1 261 ALA N 2.900 2.700 3.100 9.728 9.368 9.991 6.891 6 10 [*****+*-**] 1
184 1 258 GLU O 1 262 GLU H 1.900 . 2.000 7.376 6.426 8.545 6.545 2 10 [*+**-*****] 1
185 1 258 GLU O 1 262 GLU N 2.900 2.700 3.100 7.547 6.625 8.595 5.495 2 10 [*+**-*****] 1
186 1 259 LEU O 1 263 PHE H 1.900 . 2.000 5.221 4.787 5.797 3.797 4 10 [***+-*****] 1
187 1 259 LEU O 1 263 PHE N 2.900 2.700 3.100 5.920 5.439 6.632 3.532 4 10 [***+*-****] 1
188 1 260 THR O 1 264 ILE H 1.900 . 2.000 1.988 1.890 2.080 0.080 5 0 "[ . 1]" 1
189 1 260 THR O 1 264 ILE N 2.900 2.700 3.100 2.956 2.851 3.063 . 0 0 "[ . 1]" 1
190 1 261 ALA O 1 265 LYS H 1.900 . 2.000 2.102 2.032 2.164 0.164 2 0 "[ . 1]" 1
191 1 261 ALA O 1 265 LYS N 2.900 2.700 3.100 3.026 2.936 3.097 . 0 0 "[ . 1]" 1
192 1 262 GLU O 1 266 ARG H 1.900 . 2.000 3.344 2.916 4.001 2.001 1 10 [+-********] 1
193 1 262 GLU O 1 266 ARG N 2.900 2.700 3.100 3.840 3.375 4.638 1.538 1 7 "[+ **** *-1]" 1
194 1 265 LYS O 1 268 GLY H 1.900 . 2.000 2.065 2.041 2.093 0.093 9 0 "[ . 1]" 1
195 1 265 LYS O 1 268 GLY N 2.900 2.700 3.100 2.949 2.890 2.993 . 0 0 "[ . 1]" 1
196 1 271 ASP O 1 274 VAL H 1.900 . 2.000 7.524 6.936 8.082 6.082 5 10 [****+-****] 1
197 1 271 ASP O 1 274 VAL N 2.900 2.700 3.100 7.525 6.969 8.006 4.906 5 10 [***-+*****] 1
198 1 271 ASP O 1 275 GLU H 1.900 . 2.000 9.370 7.565 10.002 8.002 3 10 [**+-******] 1
199 1 271 ASP O 1 275 GLU N 2.900 2.700 3.100 9.631 7.859 10.177 7.077 5 10 [***-+*****] 1
200 1 272 GLY O 1 276 GLY H 1.900 . 2.000 5.681 5.374 6.245 4.245 4 10 [***+**-***] 1
201 1 272 GLY O 1 276 GLY N 2.900 2.700 3.100 6.500 6.083 7.011 3.911 4 10 [***+**-***] 1
202 1 273 SER O 1 277 LEU H 1.900 . 2.000 2.176 2.049 2.428 0.428 5 0 "[ . 1]" 1
203 1 273 SER O 1 277 LEU N 2.900 2.700 3.100 2.904 2.753 3.193 0.093 5 0 "[ . 1]" 1
204 1 274 VAL O 1 278 ARG H 1.900 . 2.000 2.019 1.979 2.065 0.065 2 0 "[ . 1]" 1
205 1 274 VAL O 1 278 ARG N 2.900 2.700 3.100 2.906 2.831 3.027 . 0 0 "[ . 1]" 1
206 1 275 GLU O 1 279 ALA H 1.900 . 2.000 2.288 2.096 2.485 0.485 9 0 "[ . 1]" 1
207 1 275 GLU O 1 279 ALA N 2.900 2.700 3.100 3.178 2.953 3.437 0.337 9 0 "[ . 1]" 1
208 1 278 ARG O 1 281 VAL H 1.900 . 2.000 3.209 2.931 3.367 1.367 2 10 [*+**-*****] 1
209 1 278 ARG O 1 281 VAL N 2.900 2.700 3.100 3.668 3.504 3.799 0.699 3 7 "[**+-.* * *]" 1
210 1 282 ARG O 1 286 GLU H 1.900 . 2.000 2.080 2.022 2.157 0.157 7 0 "[ . 1]" 1
211 1 282 ARG O 1 286 GLU N 2.900 2.700 3.100 2.917 2.742 3.031 . 0 0 "[ . 1]" 1
212 1 284 ASN O 1 288 GLU H 1.900 . 2.000 2.067 2.034 2.103 0.103 2 0 "[ . 1]" 1
213 1 284 ASN O 1 288 GLU N 2.900 2.700 3.100 2.965 2.756 3.071 . 0 0 "[ . 1]" 1
214 1 286 GLU O 1 290 LYS H 1.900 . 2.000 2.052 1.959 2.123 0.123 4 0 "[ . 1]" 1
215 1 286 GLU O 1 290 LYS N 2.900 2.700 3.100 2.933 2.801 3.087 . 0 0 "[ . 1]" 1
216 1 287 ARG O 1 291 SER H 1.900 . 2.000 3.047 2.032 3.863 1.863 6 8 "[*-**.+ ***]" 1
217 1 287 ARG O 1 291 SER N 2.900 2.700 3.100 3.859 2.902 4.567 1.467 6 7 "[* -*.+ ***]" 1
218 1 289 LEU O 1 293 ILE H 1.900 . 2.000 1.933 1.892 1.986 . 0 0 "[ . 1]" 1
219 1 289 LEU O 1 293 ILE N 2.900 2.700 3.100 2.800 2.721 2.877 . 0 0 "[ . 1]" 1
220 1 290 LYS O 1 294 ARG H 1.900 . 2.000 2.066 2.033 2.106 0.106 9 0 "[ . 1]" 1
221 1 290 LYS O 1 294 ARG N 2.900 2.700 3.100 2.997 2.935 3.061 . 0 0 "[ . 1]" 1
222 1 291 SER O 1 295 ASN H 1.900 . 2.000 1.984 1.920 2.086 0.086 1 0 "[ . 1]" 1
223 1 291 SER O 1 295 ASN N 2.900 2.700 3.100 2.886 2.790 3.041 . 0 0 "[ . 1]" 1
224 1 292 ALA O 1 296 ARG H 1.900 . 2.000 2.055 2.029 2.098 0.098 5 0 "[ . 1]" 1
225 1 292 ALA O 1 296 ARG N 2.900 2.700 3.100 2.890 2.801 2.985 . 0 0 "[ . 1]" 1
226 1 293 ILE O 1 297 VAL H 1.900 . 2.000 2.013 1.975 2.039 0.039 8 0 "[ . 1]" 1
227 1 293 ILE O 1 297 VAL N 2.900 2.700 3.100 2.988 2.940 3.018 . 0 0 "[ . 1]" 1
228 1 294 ARG O 1 298 LYS H 1.900 . 2.000 2.047 2.021 2.071 0.071 9 0 "[ . 1]" 1
229 1 294 ARG O 1 298 LYS N 2.900 2.700 3.100 2.966 2.933 2.997 . 0 0 "[ . 1]" 1
230 1 295 ASN O 1 299 SER H 1.900 . 2.000 2.015 1.974 2.035 0.035 1 0 "[ . 1]" 1
231 1 295 ASN O 1 299 SER N 2.900 2.700 3.100 2.906 2.853 2.947 . 0 0 "[ . 1]" 1
232 1 296 ARG O 1 300 GLN H 1.900 . 2.000 2.083 2.007 2.137 0.137 2 0 "[ . 1]" 1
233 1 296 ARG O 1 300 GLN N 2.900 2.700 3.100 3.022 2.889 3.103 0.003 8 0 "[ . 1]" 1
234 1 298 LYS O 1 301 ALA H 1.900 . 2.000 2.709 2.504 2.922 0.922 3 10 [**+***-***] 1
235 1 298 LYS O 1 301 ALA N 2.900 2.700 3.100 3.223 3.011 3.399 0.299 3 0 "[ . 1]" 1
236 1 298 LYS O 1 302 ILE H 1.900 . 2.000 1.995 1.917 2.078 0.078 9 0 "[ . 1]" 1
237 1 298 LYS O 1 302 ILE N 2.900 2.700 3.100 2.949 2.820 3.058 . 0 0 "[ . 1]" 1
238 1 299 SER O 1 303 GLU H 1.900 . 2.000 2.010 1.958 2.025 0.025 8 0 "[ . 1]" 1
239 1 299 SER O 1 303 GLU N 2.900 2.700 3.100 2.885 2.783 2.972 . 0 0 "[ . 1]" 1
240 1 318 ILE O 1 320 SER H 1.900 . 2.000 3.461 3.317 3.698 1.698 9 10 [**-*****+*] 1
241 1 318 ILE O 1 320 SER N 2.900 2.700 3.100 3.389 3.265 3.515 0.415 9 0 "[ . 1]" 1
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