NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435596 |
2jzc   |
15617 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jzc
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 883
_Distance_constraint_stats_list.Viol_count 1167
_Distance_constraint_stats_list.Viol_total 1930.822
_Distance_constraint_stats_list.Viol_max 1.087
_Distance_constraint_stats_list.Viol_rms 0.0721
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0219
_Distance_constraint_stats_list.Viol_average_violations_only 0.1655
_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 25 ILE 4.046 0.454 6 0 "[ . 1]"
1 26 ILE 1.387 0.454 6 0 "[ . 1]"
1 27 GLU 2.335 0.390 7 0 "[ . 1]"
1 28 GLU 0.920 0.433 7 0 "[ . 1]"
1 29 LYS 0.495 0.269 4 0 "[ . 1]"
1 30 ALA 4.686 1.087 9 1 "[ . +1]"
1 31 LEU 8.825 0.459 5 0 "[ . 1]"
1 32 PHE 4.603 0.405 10 0 "[ . 1]"
1 33 VAL 2.246 0.335 10 0 "[ . 1]"
1 34 THR 2.599 0.360 10 0 "[ . 1]"
1 35 CYS 0.813 0.291 2 0 "[ . 1]"
1 36 GLY 0.080 0.080 10 0 "[ . 1]"
1 39 VAL 2.881 0.573 5 1 "[ + 1]"
1 41 PHE 1.191 0.421 4 0 "[ . 1]"
1 43 LYS 0.189 0.149 2 0 "[ . 1]"
1 44 LEU 3.809 0.471 2 0 "[ . 1]"
1 45 VAL 1.333 0.283 3 0 "[ . 1]"
1 46 SER 0.156 0.156 3 0 "[ . 1]"
1 47 CYS 2.932 0.379 7 0 "[ . 1]"
1 48 VAL 3.945 0.393 4 0 "[ . 1]"
1 49 LEU 11.671 0.462 7 0 "[ . 1]"
1 50 SER 0.138 0.082 2 0 "[ . 1]"
1 51 ASP 4.435 0.356 2 0 "[ . 1]"
1 52 GLU 5.267 0.393 4 0 "[ . 1]"
1 53 PHE 3.979 0.346 9 0 "[ . 1]"
1 54 CYS 3.531 0.430 8 0 "[ . 1]"
1 55 GLN 5.370 0.656 7 1 "[ . + 1]"
1 56 GLU 2.650 0.371 7 0 "[ . 1]"
1 57 LEU 4.539 0.422 3 0 "[ . 1]"
1 58 ILE 8.357 0.656 7 1 "[ . + 1]"
1 59 GLN 1.623 0.376 2 0 "[ . 1]"
1 60 TYR 1.015 0.267 9 0 "[ . 1]"
1 61 GLY 0.303 0.303 7 0 "[ . 1]"
1 62 PHE 2.402 0.307 3 0 "[ . 1]"
1 63 VAL 6.973 1.087 9 1 "[ . +1]"
1 64 ARG 2.380 0.373 6 0 "[ . 1]"
1 65 LEU 2.749 0.469 3 0 "[ . 1]"
1 66 ILE 2.552 0.375 8 0 "[ . 1]"
1 67 ILE 3.468 0.325 4 0 "[ . 1]"
1 68 GLN 2.557 0.375 8 0 "[ . 1]"
1 69 PHE 1.019 0.292 6 0 "[ . 1]"
1 72 ASN 0.000 0.000 . 0 "[ . 1]"
1 77 PHE 3.828 0.477 6 0 "[ . 1]"
1 80 LEU 7.286 0.473 2 0 "[ . 1]"
1 81 VAL 8.450 0.473 2 0 "[ . 1]"
1 82 GLN 1.566 0.387 5 0 "[ . 1]"
1 83 GLU 0.280 0.093 5 0 "[ . 1]"
1 84 ARG 0.990 0.273 7 0 "[ . 1]"
1 85 GLY 0.106 0.097 8 0 "[ . 1]"
1 86 GLY 1.193 0.273 7 0 "[ . 1]"
1 87 GLN 0.473 0.308 8 0 "[ . 1]"
1 88 ARG 0.000 0.000 . 0 "[ . 1]"
1 89 GLU 6.318 0.468 7 0 "[ . 1]"
1 93 ILE 0.285 0.239 10 0 "[ . 1]"
1 95 ILE 0.970 0.374 8 0 "[ . 1]"
1 96 ASP 0.489 0.239 10 0 "[ . 1]"
1 97 GLN 0.000 0.000 . 0 "[ . 1]"
1 98 PHE 3.451 0.573 5 1 "[ + 1]"
1 99 GLY 0.258 0.205 5 0 "[ . 1]"
1 100 CYS 0.292 0.225 8 0 "[ . 1]"
1 101 GLY 0.225 0.225 8 0 "[ . 1]"
1 104 ALA 1.568 0.416 1 0 "[ . 1]"
1 105 ARG 0.549 0.259 1 0 "[ . 1]"
1 106 GLN 5.228 0.435 3 0 "[ . 1]"
1 107 TYR 7.638 0.465 3 0 "[ . 1]"
1 108 VAL 5.762 0.481 7 0 "[ . 1]"
1 109 LEU 4.043 0.465 2 0 "[ . 1]"
1 110 MET 1.033 0.279 6 0 "[ . 1]"
1 111 ASN 0.000 0.000 . 0 "[ . 1]"
1 112 GLY 0.320 0.180 6 0 "[ . 1]"
1 113 LYS 0.939 0.358 1 0 "[ . 1]"
1 114 LEU 2.244 0.481 7 0 "[ . 1]"
1 115 LYS 6.822 0.390 8 0 "[ . 1]"
1 116 VAL 8.919 0.477 6 0 "[ . 1]"
1 117 ILE 8.908 0.468 7 0 "[ . 1]"
1 118 GLY 6.376 0.416 1 0 "[ . 1]"
1 121 PHE 0.000 0.000 . 0 "[ . 1]"
1 122 SER 0.000 0.000 . 0 "[ . 1]"
1 124 LYS 0.438 0.261 1 0 "[ . 1]"
1 125 MET 0.625 0.261 1 0 "[ . 1]"
1 126 GLN 1.102 0.208 2 0 "[ . 1]"
1 127 SER 1.605 0.276 6 0 "[ . 1]"
1 128 ILE 0.785 0.187 1 0 "[ . 1]"
1 129 ILE 2.608 0.208 2 0 "[ . 1]"
1 130 ARG 0.728 0.276 6 0 "[ . 1]"
1 131 ASP 0.505 0.196 4 0 "[ . 1]"
1 132 TYR 0.120 0.068 6 0 "[ . 1]"
1 133 SER 1.303 0.277 9 0 "[ . 1]"
1 134 ASP 3.453 0.442 9 0 "[ . 1]"
1 135 LEU 4.586 0.419 6 0 "[ . 1]"
1 136 VAL 6.828 0.442 9 0 "[ . 1]"
1 137 ILE 5.224 0.459 5 0 "[ . 1]"
1 138 SER 1.356 0.244 1 0 "[ . 1]"
1 139 HIS 1.658 0.394 7 0 "[ . 1]"
1 140 ALA 2.890 0.372 9 0 "[ . 1]"
1 141 GLY 1.411 0.329 7 0 "[ . 1]"
1 143 GLY 0.000 0.000 . 0 "[ . 1]"
1 144 SER 0.485 0.329 7 0 "[ . 1]"
1 145 ILE 3.143 0.425 6 0 "[ . 1]"
1 146 LEU 1.205 0.403 8 0 "[ . 1]"
1 147 ASP 0.258 0.127 9 0 "[ . 1]"
1 148 SER 2.473 0.438 1 0 "[ . 1]"
1 149 LEU 2.386 0.334 9 0 "[ . 1]"
1 150 ARG 3.152 0.418 2 0 "[ . 1]"
1 151 LEU 0.361 0.164 4 0 "[ . 1]"
1 152 ASN 0.283 0.141 6 0 "[ . 1]"
1 153 LYS 5.403 0.419 6 0 "[ . 1]"
1 155 LEU 2.173 0.409 4 0 "[ . 1]"
1 156 ILE 5.459 0.414 6 0 "[ . 1]"
1 157 VAL 5.356 0.605 3 1 "[ + . 1]"
1 158 CYS 0.582 0.372 9 0 "[ . 1]"
1 159 VAL 6.828 0.407 1 0 "[ . 1]"
1 160 ASN 0.235 0.235 4 0 "[ . 1]"
1 161 ASP 0.670 0.162 9 0 "[ . 1]"
1 162 SER 0.355 0.171 7 0 "[ . 1]"
1 163 LEU 0.808 0.171 7 0 "[ . 1]"
1 164 MET 0.120 0.120 1 0 "[ . 1]"
1 165 ASP 0.120 0.120 1 0 "[ . 1]"
1 167 HIS 0.000 0.000 . 0 "[ . 1]"
1 168 GLN 0.291 0.232 2 0 "[ . 1]"
1 169 GLN 0.574 0.237 2 0 "[ . 1]"
1 170 GLN 0.535 0.209 10 0 "[ . 1]"
1 171 ILE 1.570 0.425 6 0 "[ . 1]"
1 172 ALA 1.769 0.281 5 0 "[ . 1]"
1 173 ASP 0.816 0.267 9 0 "[ . 1]"
1 174 LYS 0.052 0.052 9 0 "[ . 1]"
1 175 PHE 2.815 0.433 10 0 "[ . 1]"
1 176 VAL 2.399 0.434 8 0 "[ . 1]"
1 177 GLU 0.372 0.190 5 0 "[ . 1]"
1 178 LEU 2.887 0.412 4 0 "[ . 1]"
1 179 GLY 1.262 0.718 2 1 "[ + . 1]"
1 180 TYR 4.785 0.434 8 0 "[ . 1]"
1 181 VAL 7.710 0.470 4 0 "[ . 1]"
1 182 TRP 5.890 0.605 3 1 "[ + . 1]"
1 183 SER 4.392 0.470 4 0 "[ . 1]"
1 184 CYS 1.739 0.291 8 0 "[ . 1]"
1 185 ALA 0.249 0.217 3 0 "[ . 1]"
1 187 THR 1.310 0.291 8 0 "[ . 1]"
1 188 GLU 0.374 0.188 7 0 "[ . 1]"
1 189 THR 0.962 0.288 6 0 "[ . 1]"
1 190 GLY 0.000 0.000 . 0 "[ . 1]"
1 191 LEU 2.736 0.311 3 0 "[ . 1]"
1 192 ILE 0.529 0.188 7 0 "[ . 1]"
1 193 ALA 0.338 0.084 8 0 "[ . 1]"
1 194 GLY 0.770 0.309 4 0 "[ . 1]"
1 195 LEU 1.597 0.295 7 0 "[ . 1]"
1 196 ARG 0.820 0.267 1 0 "[ . 1]"
1 197 ALA 2.087 0.360 1 0 "[ . 1]"
1 198 SER 3.499 0.414 6 0 "[ . 1]"
1 199 GLN 0.583 0.212 1 0 "[ . 1]"
1 200 THR 0.521 0.151 10 0 "[ . 1]"
1 201 GLU 4.486 0.406 7 0 "[ . 1]"
1 202 LYS 0.344 0.340 9 0 "[ . 1]"
1 203 LEU 6.498 0.718 2 1 "[ + . 1]"
1 204 LYS 0.421 0.099 4 0 "[ . 1]"
1 206 PHE 0.007 0.007 9 0 "[ . 1]"
1 208 VAL 1.697 0.396 7 0 "[ . 1]"
1 211 ASN 2.957 0.339 8 0 "[ . 1]"
1 214 PHE 0.181 0.119 4 0 "[ . 1]"
1 215 GLU 1.096 0.310 3 0 "[ . 1]"
1 216 ARG 0.305 0.097 5 0 "[ . 1]"
1 217 LEU 0.808 0.248 8 0 "[ . 1]"
1 218 LEU 3.149 0.314 1 0 "[ . 1]"
1 219 VAL 0.000 0.000 . 0 "[ . 1]"
1 220 GLU 1.098 0.202 1 0 "[ . 1]"
1 221 THR 0.000 0.000 . 0 "[ . 1]"
1 222 ILE 0.122 0.122 9 0 "[ . 1]"
1 223 TYR 0.226 0.148 7 0 "[ . 1]"
1 224 SER 0.226 0.148 7 0 "[ . 1]"
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 25 ILE H 1 26 ILE H 4.430 . 4.430 3.086 1.858 4.585 0.155 10 0 "[ . 1]" 1
2 1 25 ILE H 1 27 GLU H 5.490 . 5.490 4.901 3.515 5.672 0.182 5 0 "[ . 1]" 1
3 1 25 ILE HB 1 27 GLU H 5.820 . 5.820 4.625 3.767 5.806 . 0 0 "[ . 1]" 1
4 1 25 ILE MD 1 26 ILE H 4.100 . 4.100 3.479 1.948 4.554 0.454 6 0 "[ . 1]" 1
5 1 25 ILE MD 1 27 GLU H 5.000 . 5.000 4.754 2.819 5.390 0.390 7 0 "[ . 1]" 1
6 1 25 ILE MD 1 62 PHE QE 6.270 . 6.270 5.875 3.354 6.506 0.236 6 0 "[ . 1]" 1
7 1 25 ILE QG 1 26 ILE H 5.640 . 5.640 3.429 2.275 4.253 . 0 0 "[ . 1]" 1
8 1 26 ILE H 1 26 ILE MD 5.820 . 5.820 3.417 1.721 4.246 0.079 4 0 "[ . 1]" 1
9 1 26 ILE HB 1 27 GLU H 6.010 . 6.010 3.880 2.540 4.625 . 0 0 "[ . 1]" 1
10 1 26 ILE MD 1 62 PHE QE 5.620 . 5.620 5.009 2.850 5.748 0.128 4 0 "[ . 1]" 1
11 1 27 GLU H 1 63 VAL QG 5.050 . 5.050 4.005 2.439 5.099 0.049 7 0 "[ . 1]" 1
12 1 27 GLU QG 1 28 GLU H 5.480 . 5.480 3.937 3.074 4.437 . 0 0 "[ . 1]" 1
13 1 28 GLU H 1 29 LYS H 3.640 . 3.640 2.699 1.824 3.587 . 0 0 "[ . 1]" 1
14 1 28 GLU H 1 30 ALA H 6.450 . 6.450 5.679 4.449 6.709 0.259 7 0 "[ . 1]" 1
15 1 28 GLU H 1 63 VAL QG 3.970 . 3.970 2.800 1.775 4.403 0.433 7 0 "[ . 1]" 1
16 1 29 LYS H 1 30 ALA H 4.750 . 4.750 4.331 3.959 4.636 . 0 0 "[ . 1]" 1
17 1 29 LYS H 1 63 VAL MG1 4.810 . 4.810 3.542 2.267 5.079 0.269 4 0 "[ . 1]" 1
18 1 29 LYS H 1 63 VAL MG2 4.810 . 4.810 3.144 1.833 4.635 . 0 0 "[ . 1]" 1
19 1 30 ALA H 1 31 LEU H 4.850 . 4.850 4.472 4.330 4.595 . 0 0 "[ . 1]" 1
20 1 30 ALA H 1 32 PHE H 6.410 . 6.410 6.111 5.803 6.526 0.116 8 0 "[ . 1]" 1
21 1 30 ALA H 1 63 VAL H 7.000 . 7.000 6.949 5.905 8.087 1.087 9 1 "[ . +1]" 1
22 1 30 ALA H 1 64 ARG H 5.870 . 5.870 5.780 5.472 5.978 0.108 4 0 "[ . 1]" 1
23 1 30 ALA H 1 133 SER H 6.090 . 6.090 5.824 4.519 6.367 0.277 9 0 "[ . 1]" 1
24 1 30 ALA H 1 134 ASP H 4.540 . 4.540 4.406 3.240 4.949 0.409 4 0 "[ . 1]" 1
25 1 30 ALA H 1 135 LEU H 4.100 . 4.100 4.119 3.810 4.339 0.239 7 0 "[ . 1]" 1
26 1 30 ALA MB 1 31 LEU H 4.690 . 4.690 2.844 2.383 3.421 . 0 0 "[ . 1]" 1
27 1 30 ALA MB 1 134 ASP H 5.720 . 5.720 4.534 3.806 5.422 . 0 0 "[ . 1]" 1
28 1 30 ALA MB 1 135 LEU H 6.060 . 6.060 4.507 3.798 5.536 . 0 0 "[ . 1]" 1
29 1 31 LEU H 1 57 LEU QD 5.130 . 5.130 4.648 4.175 5.214 0.084 10 0 "[ . 1]" 1
30 1 31 LEU H 1 63 VAL H 6.180 . 6.180 5.451 4.684 6.195 0.015 9 0 "[ . 1]" 1
31 1 31 LEU H 1 64 ARG H 4.650 . 4.650 4.007 3.678 4.474 . 0 0 "[ . 1]" 1
32 1 31 LEU H 1 65 LEU H 5.180 . 5.180 5.198 4.490 5.454 0.274 2 0 "[ . 1]" 1
33 1 31 LEU H 1 65 LEU QD 5.630 . 5.630 3.805 2.821 4.930 . 0 0 "[ . 1]" 1
34 1 31 LEU H 1 66 ILE H 4.600 . 4.600 4.271 3.391 4.745 0.145 3 0 "[ . 1]" 1
35 1 31 LEU H 1 66 ILE MD 4.510 . 4.510 4.011 2.784 4.777 0.267 10 0 "[ . 1]" 1
36 1 31 LEU H 1 135 LEU H 6.140 . 6.140 6.070 5.728 6.363 0.223 7 0 "[ . 1]" 1
37 1 31 LEU H 1 137 ILE MD 5.720 . 5.720 5.943 5.681 6.179 0.459 5 0 "[ . 1]" 1
38 1 31 LEU QD 1 32 PHE H 3.840 . 3.840 3.688 3.011 4.240 0.400 9 0 "[ . 1]" 1
39 1 31 LEU QD 1 33 VAL H 6.830 . 6.830 5.935 5.322 6.228 . 0 0 "[ . 1]" 1
40 1 31 LEU QD 1 53 PHE QE 4.830 . 4.830 2.907 2.233 3.681 . 0 0 "[ . 1]" 1
41 1 31 LEU QD 1 57 LEU QD 3.740 . 3.740 2.382 1.816 3.157 . 0 0 "[ . 1]" 1
42 1 31 LEU QD 1 134 ASP H 6.110 . 6.110 6.046 4.677 6.370 0.260 2 0 "[ . 1]" 1
43 1 31 LEU QD 1 135 LEU H 4.710 . 4.710 4.483 3.534 4.883 0.173 2 0 "[ . 1]" 1
44 1 31 LEU QD 1 136 VAL H 5.690 . 5.690 4.677 4.148 5.486 . 0 0 "[ . 1]" 1
45 1 31 LEU MD1 1 53 PHE QD 5.650 . 5.650 4.935 3.843 5.996 0.346 9 0 "[ . 1]" 1
46 1 31 LEU MD1 1 53 PHE HZ 6.190 . 6.190 4.241 2.390 5.577 . 0 0 "[ . 1]" 1
47 1 31 LEU MD2 1 53 PHE QD 5.650 . 5.650 5.191 3.231 5.931 0.281 1 0 "[ . 1]" 1
48 1 31 LEU MD2 1 53 PHE HZ 6.190 . 6.190 4.236 2.138 6.305 0.115 6 0 "[ . 1]" 1
49 1 32 PHE H 1 66 ILE MD 6.070 . 6.070 5.205 4.259 6.433 0.363 5 0 "[ . 1]" 1
50 1 32 PHE H 1 134 ASP H 6.090 . 6.090 6.044 5.582 6.458 0.368 6 0 "[ . 1]" 1
51 1 32 PHE H 1 135 LEU H 4.640 . 4.640 4.677 4.242 5.016 0.376 10 0 "[ . 1]" 1
52 1 32 PHE H 1 136 VAL H 5.150 . 5.150 4.889 4.666 5.041 . 0 0 "[ . 1]" 1
53 1 32 PHE H 1 136 VAL MG1 5.920 . 5.920 3.812 2.219 5.354 . 0 0 "[ . 1]" 1
54 1 32 PHE H 1 136 VAL MG2 5.920 . 5.920 4.357 3.380 5.086 . 0 0 "[ . 1]" 1
55 1 32 PHE QB 1 66 ILE MD 5.440 . 5.440 4.358 3.060 5.330 . 0 0 "[ . 1]" 1
56 1 32 PHE QB 1 136 VAL QG 6.530 . 6.530 2.339 2.016 3.043 . 0 0 "[ . 1]" 1
57 1 32 PHE QD 1 66 ILE MD 6.010 . 6.010 3.616 2.723 4.534 . 0 0 "[ . 1]" 1
58 1 32 PHE QD 1 129 ILE MD 5.330 . 5.330 4.177 2.673 5.420 0.090 8 0 "[ . 1]" 1
59 1 32 PHE QD 1 136 VAL H 7.000 . 7.000 6.187 4.690 7.264 0.264 3 0 "[ . 1]" 1
60 1 32 PHE QD 1 136 VAL MG1 5.100 . 5.100 3.837 2.854 4.720 . 0 0 "[ . 1]" 1
61 1 32 PHE QD 1 136 VAL MG2 5.100 . 5.100 3.859 2.168 5.505 0.405 10 0 "[ . 1]" 1
62 1 33 VAL H 1 33 VAL MG1 4.380 . 4.380 2.458 2.006 3.898 . 0 0 "[ . 1]" 1
63 1 33 VAL H 1 33 VAL MG2 4.380 . 4.380 3.634 2.580 3.928 . 0 0 "[ . 1]" 1
64 1 33 VAL H 1 34 THR H 4.920 . 4.920 4.298 3.979 4.410 . 0 0 "[ . 1]" 1
65 1 33 VAL H 1 34 THR MG 5.370 . 5.370 4.427 3.352 4.895 . 0 0 "[ . 1]" 1
66 1 33 VAL H 1 66 ILE H 4.310 . 4.310 4.127 3.370 4.416 0.106 4 0 "[ . 1]" 1
67 1 33 VAL H 1 68 GLN H 4.460 . 4.460 4.509 4.083 4.795 0.335 10 0 "[ . 1]" 1
68 1 33 VAL H 1 137 ILE H 5.480 . 5.480 4.723 4.528 4.939 . 0 0 "[ . 1]" 1
69 1 33 VAL H 1 137 ILE MD 6.320 . 6.320 5.327 4.665 5.857 . 0 0 "[ . 1]" 1
70 1 33 VAL QG 1 35 CYS H 5.740 . 5.740 4.179 3.925 4.513 . 0 0 "[ . 1]" 1
71 1 33 VAL QG 1 36 GLY H 6.410 . 6.410 5.843 5.339 6.490 0.080 10 0 "[ . 1]" 1
72 1 33 VAL QG 1 137 ILE H 4.080 . 4.080 4.005 3.698 4.230 0.150 9 0 "[ . 1]" 1
73 1 33 VAL QG 1 139 HIS H 6.120 . 6.120 4.612 3.426 5.283 . 0 0 "[ . 1]" 1
74 1 33 VAL MG1 1 34 THR H 4.130 . 4.130 3.792 2.894 4.144 0.014 9 0 "[ . 1]" 1
75 1 33 VAL MG1 1 34 THR MG 5.050 . 5.050 4.660 3.937 4.955 . 0 0 "[ . 1]" 1
76 1 33 VAL MG1 1 68 GLN H 5.420 . 5.420 3.717 3.136 4.528 . 0 0 "[ . 1]" 1
77 1 33 VAL MG2 1 34 THR H 4.130 . 4.130 2.839 2.233 4.279 0.149 6 0 "[ . 1]" 1
78 1 33 VAL MG2 1 34 THR MG 5.050 . 5.050 4.220 3.775 5.065 0.015 6 0 "[ . 1]" 1
79 1 33 VAL MG2 1 68 GLN H 5.420 . 5.420 4.832 4.031 5.397 . 0 0 "[ . 1]" 1
80 1 34 THR H 1 35 CYS H 5.020 . 5.020 4.313 4.266 4.428 . 0 0 "[ . 1]" 1
81 1 34 THR H 1 35 CYS HG 5.840 . 5.840 5.005 3.858 5.759 . 0 0 "[ . 1]" 1
82 1 34 THR H 1 68 GLN H 5.610 . 5.610 5.299 4.876 5.683 0.073 3 0 "[ . 1]" 1
83 1 34 THR H 1 136 VAL QG 5.340 . 5.340 4.813 3.924 5.630 0.290 1 0 "[ . 1]" 1
84 1 34 THR H 1 137 ILE H 4.640 . 4.640 4.622 4.182 5.000 0.360 10 0 "[ . 1]" 1
85 1 34 THR H 1 137 ILE MG 6.100 . 6.100 4.924 4.282 6.421 0.321 3 0 "[ . 1]" 1
86 1 34 THR H 1 138 SER HG 6.470 . 6.470 6.172 5.496 6.533 0.063 7 0 "[ . 1]" 1
87 1 34 THR H 1 139 HIS H 5.140 . 5.140 4.573 3.173 5.312 0.172 5 0 "[ . 1]" 1
88 1 34 THR MG 1 35 CYS H 5.720 . 5.720 4.055 3.962 4.173 . 0 0 "[ . 1]" 1
89 1 34 THR MG 1 137 ILE H 6.530 . 6.530 4.767 4.090 5.460 . 0 0 "[ . 1]" 1
90 1 35 CYS H 1 35 CYS HG 4.580 . 4.580 2.778 2.458 3.114 . 0 0 "[ . 1]" 1
91 1 35 CYS H 1 36 GLY H 4.890 . 4.890 3.011 1.978 4.615 . 0 0 "[ . 1]" 1
92 1 35 CYS H 1 67 ILE MG 6.860 . 6.860 6.423 4.727 7.151 0.291 2 0 "[ . 1]" 1
93 1 35 CYS H 1 68 GLN H 4.630 . 4.630 4.392 3.537 4.784 0.154 8 0 "[ . 1]" 1
94 1 35 CYS HG 1 36 GLY H 5.380 . 5.380 4.716 4.534 5.118 . 0 0 "[ . 1]" 1
95 1 35 CYS HG 1 68 GLN H 5.850 . 5.850 5.377 4.189 5.767 . 0 0 "[ . 1]" 1
96 1 39 VAL QG 1 43 LYS H 6.140 . 6.140 5.508 4.881 6.289 0.149 2 0 "[ . 1]" 1
97 1 39 VAL QG 1 44 LEU H 5.730 . 5.730 5.465 4.724 6.201 0.471 2 0 "[ . 1]" 1
98 1 39 VAL QG 1 45 VAL H 6.180 . 6.180 4.398 3.830 5.048 . 0 0 "[ . 1]" 1
99 1 39 VAL QG 1 45 VAL QG 4.120 . 4.120 2.245 2.000 2.943 . 0 0 "[ . 1]" 1
100 1 39 VAL QG 1 46 SER H 6.220 . 6.220 5.746 5.149 6.376 0.156 3 0 "[ . 1]" 1
101 1 39 VAL QG 1 69 PHE QD 5.300 . 5.300 3.222 2.159 4.613 . 0 0 "[ . 1]" 1
102 1 39 VAL QG 1 69 PHE QE 4.310 . 4.310 2.966 2.047 4.375 0.065 10 0 "[ . 1]" 1
103 1 39 VAL MG1 1 69 PHE QE 5.320 . 5.320 3.441 2.296 5.358 0.038 10 0 "[ . 1]" 1
104 1 39 VAL MG1 1 98 PHE QE 7.000 . 7.000 6.827 5.546 7.265 0.265 4 0 "[ . 1]" 1
105 1 39 VAL MG2 1 69 PHE QE 5.320 . 5.320 3.412 2.225 4.710 . 0 0 "[ . 1]" 1
106 1 39 VAL MG2 1 98 PHE QE 7.000 . 7.000 6.647 4.664 7.573 0.573 5 1 "[ + 1]" 1
107 1 41 PHE H 1 44 LEU QD 6.880 . 6.880 4.369 2.526 6.118 . 0 0 "[ . 1]" 1
108 1 41 PHE QD 1 44 LEU QD 5.020 . 5.020 3.221 2.333 3.982 . 0 0 "[ . 1]" 1
109 1 41 PHE QE 1 44 LEU MD1 5.570 . 5.570 5.196 2.882 5.991 0.421 4 0 "[ . 1]" 1
110 1 41 PHE QE 1 44 LEU MD2 5.570 . 5.570 4.464 2.416 5.632 0.062 4 0 "[ . 1]" 1
111 1 43 LYS H 1 44 LEU H 4.210 . 4.210 2.509 2.372 2.673 . 0 0 "[ . 1]" 1
112 1 43 LYS H 1 44 LEU QD 6.280 . 6.280 4.782 3.174 5.615 . 0 0 "[ . 1]" 1
113 1 43 LYS H 1 45 VAL H 4.820 . 4.820 4.248 4.096 4.585 . 0 0 "[ . 1]" 1
114 1 43 LYS H 1 45 VAL QG 5.240 . 5.240 4.294 3.829 4.708 . 0 0 "[ . 1]" 1
115 1 43 LYS H 1 46 SER H 5.680 . 5.680 4.882 4.783 5.156 . 0 0 "[ . 1]" 1
116 1 43 LYS H 1 47 CYS H 7.000 . 7.000 6.669 5.920 7.013 0.013 6 0 "[ . 1]" 1
117 1 44 LEU H 1 44 LEU MD1 5.750 . 5.750 4.033 3.825 4.247 . 0 0 "[ . 1]" 1
118 1 44 LEU H 1 44 LEU MD2 5.750 . 5.750 3.537 1.922 4.406 . 0 0 "[ . 1]" 1
119 1 44 LEU H 1 45 VAL H 4.520 . 4.520 2.671 2.555 2.819 . 0 0 "[ . 1]" 1
120 1 44 LEU H 1 45 VAL QG 4.400 . 4.400 3.646 3.383 3.845 . 0 0 "[ . 1]" 1
121 1 44 LEU H 1 46 SER H 4.880 . 4.880 4.053 3.837 4.252 . 0 0 "[ . 1]" 1
122 1 44 LEU H 1 47 CYS H 5.300 . 5.300 5.204 4.881 5.394 0.094 6 0 "[ . 1]" 1
123 1 44 LEU QD 1 45 VAL QG 4.110 . 4.110 3.786 3.083 4.320 0.210 2 0 "[ . 1]" 1
124 1 44 LEU MD1 1 45 VAL H 6.440 . 6.440 4.532 3.503 4.858 . 0 0 "[ . 1]" 1
125 1 44 LEU MD1 1 46 SER H 6.420 . 6.420 5.716 4.676 6.158 . 0 0 "[ . 1]" 1
126 1 44 LEU MD1 1 47 CYS H 5.740 . 5.740 4.994 3.750 5.645 . 0 0 "[ . 1]" 1
127 1 44 LEU MD2 1 45 VAL H 6.440 . 6.440 4.171 3.763 4.739 . 0 0 "[ . 1]" 1
128 1 44 LEU MD2 1 46 SER H 6.420 . 6.420 5.711 5.264 6.053 . 0 0 "[ . 1]" 1
129 1 44 LEU MD2 1 47 CYS H 5.740 . 5.740 5.600 4.995 6.119 0.379 7 0 "[ . 1]" 1
130 1 45 VAL H 1 46 SER H 4.860 . 4.860 2.677 2.591 2.798 . 0 0 "[ . 1]" 1
131 1 45 VAL H 1 47 CYS H 5.090 . 5.090 4.402 4.139 4.766 . 0 0 "[ . 1]" 1
132 1 45 VAL H 1 67 ILE MD 7.000 . 7.000 6.659 5.037 7.283 0.283 3 0 "[ . 1]" 1
133 1 45 VAL QG 1 47 CYS H 6.020 . 6.020 4.406 3.909 4.749 . 0 0 "[ . 1]" 1
134 1 45 VAL QG 1 48 VAL H 6.510 . 6.510 4.254 3.819 4.589 . 0 0 "[ . 1]" 1
135 1 45 VAL QG 1 67 ILE MD 4.320 . 4.320 2.866 2.054 3.883 . 0 0 "[ . 1]" 1
136 1 45 VAL QG 1 69 PHE QE 5.570 . 5.570 4.142 2.364 5.611 0.041 6 0 "[ . 1]" 1
137 1 45 VAL QG 1 77 PHE QD 5.020 . 5.020 3.720 2.309 4.692 . 0 0 "[ . 1]" 1
138 1 45 VAL QG 1 77 PHE QE 6.090 . 6.090 3.117 2.302 4.315 . 0 0 "[ . 1]" 1
139 1 45 VAL MG1 1 46 SER H 5.480 . 5.480 3.407 2.016 4.041 . 0 0 "[ . 1]" 1
140 1 45 VAL MG2 1 46 SER H 5.480 . 5.480 3.231 1.925 3.852 . 0 0 "[ . 1]" 1
141 1 46 SER H 1 47 CYS H 4.740 . 4.740 2.865 2.626 3.024 . 0 0 "[ . 1]" 1
142 1 46 SER H 1 48 VAL H 5.190 . 5.190 4.346 4.168 4.616 . 0 0 "[ . 1]" 1
143 1 46 SER H 1 49 LEU H 5.890 . 5.890 4.827 4.500 5.358 . 0 0 "[ . 1]" 1
144 1 47 CYS H 1 48 VAL MG1 6.810 . 6.810 5.506 3.827 6.140 . 0 0 "[ . 1]" 1
145 1 47 CYS H 1 48 VAL MG2 6.810 . 6.810 4.141 3.911 4.478 . 0 0 "[ . 1]" 1
146 1 47 CYS H 1 49 LEU H 5.430 . 5.430 3.923 3.776 4.144 . 0 0 "[ . 1]" 1
147 1 47 CYS H 1 52 GLU H 7.000 . 7.000 7.148 7.001 7.369 0.369 7 0 "[ . 1]" 1
148 1 48 VAL H 1 48 VAL MG1 4.560 . 4.560 3.281 1.875 3.831 . 0 0 "[ . 1]" 1
149 1 48 VAL H 1 48 VAL MG2 4.560 . 4.560 2.157 1.847 2.570 . 0 0 "[ . 1]" 1
150 1 48 VAL H 1 49 LEU H 4.490 . 4.490 2.452 2.239 2.680 . 0 0 "[ . 1]" 1
151 1 48 VAL H 1 49 LEU QD 5.750 . 5.750 5.293 4.021 5.581 . 0 0 "[ . 1]" 1
152 1 48 VAL H 1 50 SER H 4.930 . 4.930 4.332 3.906 4.508 . 0 0 "[ . 1]" 1
153 1 48 VAL H 1 52 GLU H 7.000 . 7.000 7.258 7.010 7.393 0.393 4 0 "[ . 1]" 1
154 1 48 VAL QG 1 53 PHE H 5.330 . 5.330 5.429 5.132 5.644 0.314 10 0 "[ . 1]" 1
155 1 48 VAL QG 1 53 PHE QD 5.510 . 5.510 3.275 2.814 3.991 . 0 0 "[ . 1]" 1
156 1 48 VAL QG 1 53 PHE QE 5.420 . 5.420 3.104 2.583 4.112 . 0 0 "[ . 1]" 1
157 1 48 VAL QG 1 57 LEU QD 5.780 . 5.780 4.831 4.034 5.821 0.041 8 0 "[ . 1]" 1
158 1 48 VAL MG1 1 49 LEU H 4.590 . 4.590 3.982 3.877 4.289 . 0 0 "[ . 1]" 1
159 1 48 VAL MG1 1 50 SER H 5.650 . 5.650 5.265 4.980 5.560 . 0 0 "[ . 1]" 1
160 1 48 VAL MG2 1 49 LEU H 4.590 . 4.590 3.579 2.356 3.989 . 0 0 "[ . 1]" 1
161 1 48 VAL MG2 1 50 SER H 5.650 . 5.650 5.230 4.546 5.585 . 0 0 "[ . 1]" 1
162 1 49 LEU H 1 50 SER H 4.350 . 4.350 2.473 2.130 2.647 . 0 0 "[ . 1]" 1
163 1 49 LEU H 1 51 ASP H 6.100 . 6.100 6.317 6.096 6.456 0.356 2 0 "[ . 1]" 1
164 1 49 LEU H 1 52 GLU H 6.340 . 6.340 6.384 6.031 6.474 0.134 3 0 "[ . 1]" 1
165 1 49 LEU H 1 54 CYS H 7.000 . 7.000 6.080 5.541 6.535 . 0 0 "[ . 1]" 1
166 1 49 LEU H 1 67 ILE MD 7.000 . 7.000 6.065 5.148 7.153 0.153 8 0 "[ . 1]" 1
167 1 49 LEU QD 1 65 LEU H 6.610 . 6.610 6.145 5.298 6.826 0.216 10 0 "[ . 1]" 1
168 1 49 LEU QD 1 65 LEU QD 4.340 . 4.340 2.482 1.982 3.099 . 0 0 "[ . 1]" 1
169 1 49 LEU QD 1 77 PHE QE 5.440 . 5.440 2.866 2.120 4.029 . 0 0 "[ . 1]" 1
170 1 49 LEU QD 1 80 LEU H 5.590 . 5.590 5.429 4.630 6.051 0.461 7 0 "[ . 1]" 1
171 1 49 LEU QD 1 80 LEU QD 3.620 . 3.620 2.371 1.942 2.940 . 0 0 "[ . 1]" 1
172 1 49 LEU QD 1 81 VAL QG 3.490 . 3.490 3.218 2.850 3.708 0.218 2 0 "[ . 1]" 1
173 1 49 LEU QD 1 83 GLU H 6.880 . 6.880 6.650 5.988 6.973 0.093 5 0 "[ . 1]" 1
174 1 49 LEU QD 1 109 LEU H 6.880 . 6.880 6.455 5.766 7.065 0.185 1 0 "[ . 1]" 1
175 1 49 LEU QD 1 115 LYS H 6.810 . 6.810 5.990 5.424 6.691 . 0 0 "[ . 1]" 1
176 1 49 LEU QD 1 118 GLY H 6.880 . 6.880 6.977 6.594 7.267 0.387 4 0 "[ . 1]" 1
177 1 49 LEU MD1 1 77 PHE QD 5.530 . 5.530 4.873 3.795 5.849 0.319 4 0 "[ . 1]" 1
178 1 49 LEU MD1 1 107 TYR H 7.000 . 7.000 7.183 7.012 7.462 0.462 7 0 "[ . 1]" 1
179 1 49 LEU MD1 1 116 VAL H 6.310 . 6.310 5.681 4.864 6.487 0.177 10 0 "[ . 1]" 1
180 1 49 LEU MD1 1 116 VAL MG1 4.730 . 4.730 2.953 2.290 3.832 . 0 0 "[ . 1]" 1
181 1 49 LEU MD1 1 116 VAL MG2 4.730 . 4.730 2.426 1.994 3.043 . 0 0 "[ . 1]" 1
182 1 49 LEU MD1 1 117 ILE H 6.940 . 6.940 5.554 5.069 6.502 . 0 0 "[ . 1]" 1
183 1 49 LEU MD2 1 77 PHE QD 5.530 . 5.530 5.018 3.795 5.917 0.387 5 0 "[ . 1]" 1
184 1 49 LEU MD2 1 107 TYR H 7.000 . 7.000 7.110 6.899 7.425 0.425 10 0 "[ . 1]" 1
185 1 49 LEU MD2 1 116 VAL H 6.310 . 6.310 5.651 4.871 6.411 0.101 10 0 "[ . 1]" 1
186 1 49 LEU MD2 1 116 VAL MG1 4.730 . 4.730 3.060 2.380 4.142 . 0 0 "[ . 1]" 1
187 1 49 LEU MD2 1 116 VAL MG2 4.730 . 4.730 2.460 2.023 2.890 . 0 0 "[ . 1]" 1
188 1 49 LEU MD2 1 117 ILE H 6.940 . 6.940 6.282 5.446 6.874 . 0 0 "[ . 1]" 1
189 1 50 SER H 1 51 ASP H 5.450 . 5.450 4.226 4.167 4.304 . 0 0 "[ . 1]" 1
190 1 50 SER H 1 52 GLU H 5.800 . 5.800 4.275 4.079 4.488 . 0 0 "[ . 1]" 1
191 1 50 SER H 1 53 PHE H 5.540 . 5.540 3.077 2.895 3.353 . 0 0 "[ . 1]" 1
192 1 50 SER H 1 54 CYS H 5.230 . 5.230 3.855 3.304 4.340 . 0 0 "[ . 1]" 1
193 1 50 SER H 1 55 GLN H 6.940 . 6.940 6.593 5.827 7.022 0.082 2 0 "[ . 1]" 1
194 1 51 ASP H 1 52 GLU H 3.660 . 3.660 2.813 2.516 3.019 . 0 0 "[ . 1]" 1
195 1 51 ASP H 1 53 PHE H 4.540 . 4.540 4.612 4.451 4.741 0.201 5 0 "[ . 1]" 1
196 1 51 ASP H 1 54 CYS H 4.630 . 4.630 4.736 4.633 4.841 0.211 9 0 "[ . 1]" 1
197 1 51 ASP H 1 55 GLN H 6.230 . 6.230 6.152 5.805 6.356 0.126 7 0 "[ . 1]" 1
198 1 52 GLU H 1 53 PHE H 4.250 . 4.250 2.836 2.675 2.970 . 0 0 "[ . 1]" 1
199 1 52 GLU H 1 54 CYS H 4.360 . 4.360 4.083 3.897 4.310 . 0 0 "[ . 1]" 1
200 1 52 GLU H 1 55 GLN H 5.060 . 5.060 5.021 4.801 5.239 0.179 4 0 "[ . 1]" 1
201 1 52 GLU H 1 56 GLU H 6.960 . 6.960 6.187 5.874 6.442 . 0 0 "[ . 1]" 1
202 1 53 PHE H 1 54 CYS H 4.130 . 4.130 2.622 2.523 2.753 . 0 0 "[ . 1]" 1
203 1 53 PHE H 1 55 GLN H 4.630 . 4.630 4.443 4.058 4.699 0.069 4 0 "[ . 1]" 1
204 1 53 PHE H 1 56 GLU H 5.150 . 5.150 4.887 4.731 4.988 . 0 0 "[ . 1]" 1
205 1 53 PHE QD 1 57 LEU QD 5.000 . 5.000 2.705 2.165 3.476 . 0 0 "[ . 1]" 1
206 1 53 PHE QD 1 137 ILE MD 5.630 . 5.630 4.545 3.915 5.262 . 0 0 "[ . 1]" 1
207 1 53 PHE QE 1 57 LEU QD 4.650 . 4.650 3.018 2.176 4.135 . 0 0 "[ . 1]" 1
208 1 53 PHE QE 1 137 ILE MD 4.910 . 4.910 2.874 2.264 3.520 . 0 0 "[ . 1]" 1
209 1 53 PHE HZ 1 57 LEU QD 5.920 . 5.920 4.428 2.504 5.725 . 0 0 "[ . 1]" 1
210 1 53 PHE HZ 1 137 ILE MD 4.970 . 4.970 2.949 2.095 3.802 . 0 0 "[ . 1]" 1
211 1 54 CYS H 1 56 GLU H 4.910 . 4.910 4.301 4.126 4.382 . 0 0 "[ . 1]" 1
212 1 54 CYS H 1 58 ILE H 6.250 . 6.250 6.471 5.993 6.680 0.430 8 0 "[ . 1]" 1
213 1 55 GLN H 1 56 GLU H 3.860 . 3.860 2.611 2.497 2.813 . 0 0 "[ . 1]" 1
214 1 55 GLN H 1 57 LEU H 4.090 . 4.090 3.924 3.754 4.354 0.264 5 0 "[ . 1]" 1
215 1 55 GLN H 1 57 LEU QB 6.740 . 6.740 4.700 4.483 5.167 . 0 0 "[ . 1]" 1
216 1 55 GLN H 1 57 LEU QD 5.280 . 5.280 5.240 4.685 5.702 0.422 3 0 "[ . 1]" 1
217 1 55 GLN H 1 58 ILE H 5.030 . 5.030 5.142 4.941 5.237 0.207 9 0 "[ . 1]" 1
218 1 55 GLN H 1 58 ILE HB 7.000 . 7.000 6.284 5.507 7.656 0.656 7 1 "[ . + 1]" 1
219 1 55 GLN H 1 58 ILE MD 6.090 . 6.090 5.183 4.588 6.529 0.439 1 0 "[ . 1]" 1
220 1 56 GLU H 1 57 LEU H 3.860 . 3.860 2.620 2.418 2.850 . 0 0 "[ . 1]" 1
221 1 56 GLU H 1 57 LEU QB 6.560 . 6.560 4.404 4.160 4.702 . 0 0 "[ . 1]" 1
222 1 56 GLU H 1 57 LEU QD 5.910 . 5.910 5.023 3.959 5.586 . 0 0 "[ . 1]" 1
223 1 56 GLU H 1 58 ILE H 4.250 . 4.250 4.478 4.283 4.599 0.349 3 0 "[ . 1]" 1
224 1 56 GLU H 1 58 ILE HB 7.000 . 7.000 5.939 5.385 7.371 0.371 7 0 "[ . 1]" 1
225 1 56 GLU H 1 59 GLN H 6.320 . 6.320 4.992 4.586 5.542 . 0 0 "[ . 1]" 1
226 1 57 LEU H 1 57 LEU MD1 5.720 . 5.720 3.889 3.336 4.328 . 0 0 "[ . 1]" 1
227 1 57 LEU H 1 57 LEU MD2 5.720 . 5.720 3.834 1.989 4.357 . 0 0 "[ . 1]" 1
228 1 57 LEU H 1 58 ILE H 3.820 . 3.820 2.785 2.687 2.987 . 0 0 "[ . 1]" 1
229 1 57 LEU H 1 58 ILE MD 5.430 . 5.430 4.293 3.562 5.829 0.399 1 0 "[ . 1]" 1
230 1 57 LEU H 1 59 GLN H 4.840 . 4.840 4.061 3.757 4.384 . 0 0 "[ . 1]" 1
231 1 57 LEU QD 1 58 ILE H 4.830 . 4.830 3.812 2.828 4.120 . 0 0 "[ . 1]" 1
232 1 57 LEU QD 1 59 GLN H 5.000 . 5.000 5.088 4.585 5.376 0.376 2 0 "[ . 1]" 1
233 1 57 LEU QD 1 60 TYR H 5.180 . 5.180 4.494 3.638 5.021 . 0 0 "[ . 1]" 1
234 1 57 LEU QD 1 61 GLY H 5.730 . 5.730 4.802 3.715 5.446 . 0 0 "[ . 1]" 1
235 1 57 LEU QD 1 62 PHE H 4.930 . 4.930 3.775 2.366 4.495 . 0 0 "[ . 1]" 1
236 1 57 LEU QD 1 62 PHE QD 5.510 . 5.510 3.334 2.220 4.278 . 0 0 "[ . 1]" 1
237 1 57 LEU QD 1 62 PHE QE 5.520 . 5.520 4.586 3.048 5.827 0.307 3 0 "[ . 1]" 1
238 1 57 LEU QD 1 65 LEU H 5.970 . 5.970 4.523 4.024 5.361 . 0 0 "[ . 1]" 1
239 1 57 LEU QD 1 65 LEU QD 3.900 . 3.900 2.715 1.927 3.647 . 0 0 "[ . 1]" 1
240 1 57 LEU QD 1 114 LEU QD 5.180 . 5.180 2.207 1.772 2.660 0.028 7 0 "[ . 1]" 1
241 1 57 LEU QD 1 115 LYS H 6.880 . 6.880 4.890 3.517 6.054 . 0 0 "[ . 1]" 1
242 1 58 ILE H 1 58 ILE MD 3.990 . 3.990 2.455 1.823 4.042 0.052 1 0 "[ . 1]" 1
243 1 58 ILE H 1 58 ILE MG 4.430 . 4.430 3.427 1.814 3.800 . 0 0 "[ . 1]" 1
244 1 58 ILE MD 1 59 GLN H 4.800 . 4.800 3.973 3.022 4.522 . 0 0 "[ . 1]" 1
245 1 58 ILE MD 1 60 TYR H 5.880 . 5.880 5.234 4.510 5.937 0.057 5 0 "[ . 1]" 1
246 1 58 ILE MD 1 61 GLY H 5.500 . 5.500 5.092 4.677 5.803 0.303 7 0 "[ . 1]" 1
247 1 59 GLN H 1 62 PHE QD 7.000 . 7.000 5.749 5.216 6.958 . 0 0 "[ . 1]" 1
248 1 60 TYR H 1 61 GLY H 3.850 . 3.850 2.371 2.088 2.637 . 0 0 "[ . 1]" 1
249 1 60 TYR H 1 62 PHE H 3.830 . 3.830 3.779 3.361 4.011 0.181 5 0 "[ . 1]" 1
250 1 60 TYR H 1 62 PHE QD 6.710 . 6.710 5.175 3.538 6.977 0.267 9 0 "[ . 1]" 1
251 1 61 GLY H 1 62 PHE H 3.640 . 3.640 2.351 2.027 2.853 . 0 0 "[ . 1]" 1
252 1 62 PHE H 1 62 PHE QD 4.740 . 4.740 2.824 2.005 4.235 . 0 0 "[ . 1]" 1
253 1 62 PHE H 1 63 VAL QG 6.030 . 6.030 4.442 3.683 5.405 . 0 0 "[ . 1]" 1
254 1 63 VAL H 1 63 VAL MG1 4.160 . 4.160 3.405 2.595 3.998 . 0 0 "[ . 1]" 1
255 1 63 VAL H 1 63 VAL MG2 4.160 . 4.160 2.925 1.924 4.067 . 0 0 "[ . 1]" 1
256 1 63 VAL H 1 64 ARG H 4.190 . 4.190 2.352 1.714 3.084 0.086 4 0 "[ . 1]" 1
257 1 63 VAL H 1 65 LEU H 5.980 . 5.980 5.263 4.465 6.193 0.213 9 0 "[ . 1]" 1
258 1 63 VAL H 1 115 LYS H 6.450 . 6.450 6.391 5.681 6.778 0.328 7 0 "[ . 1]" 1
259 1 63 VAL QG 1 65 LEU H 6.220 . 6.220 5.226 4.698 5.712 . 0 0 "[ . 1]" 1
260 1 63 VAL QG 1 115 LYS H 6.360 . 6.360 6.272 5.326 6.659 0.299 3 0 "[ . 1]" 1
261 1 63 VAL MG1 1 64 ARG H 4.260 . 4.260 2.929 1.821 4.307 0.047 7 0 "[ . 1]" 1
262 1 63 VAL MG2 1 64 ARG H 4.260 . 4.260 3.299 1.755 3.810 0.045 9 0 "[ . 1]" 1
263 1 64 ARG H 1 65 LEU H 5.260 . 5.260 3.969 3.666 4.317 . 0 0 "[ . 1]" 1
264 1 64 ARG H 1 65 LEU QD 5.470 . 5.470 5.079 4.342 5.579 0.109 7 0 "[ . 1]" 1
265 1 64 ARG H 1 115 LYS H 5.930 . 5.930 5.991 5.244 6.303 0.373 6 0 "[ . 1]" 1
266 1 65 LEU H 1 65 LEU MD1 5.370 . 5.370 4.124 1.721 4.830 0.079 5 0 "[ . 1]" 1
267 1 65 LEU H 1 65 LEU MD2 5.370 . 5.370 4.158 3.660 4.577 . 0 0 "[ . 1]" 1
268 1 65 LEU H 1 66 ILE H 4.870 . 4.870 4.335 4.060 4.535 . 0 0 "[ . 1]" 1
269 1 65 LEU H 1 66 ILE MD 4.560 . 4.560 3.718 3.044 4.123 . 0 0 "[ . 1]" 1
270 1 65 LEU H 1 114 LEU QD 5.050 . 5.050 3.284 2.701 4.308 . 0 0 "[ . 1]" 1
271 1 65 LEU H 1 115 LYS H 4.460 . 4.460 3.327 3.022 3.742 . 0 0 "[ . 1]" 1
272 1 65 LEU H 1 116 VAL QG 6.460 . 6.460 5.305 4.453 5.869 . 0 0 "[ . 1]" 1
273 1 65 LEU QD 1 66 ILE H 4.700 . 4.700 2.611 1.922 3.467 . 0 0 "[ . 1]" 1
274 1 65 LEU QD 1 116 VAL QG 3.280 . 3.280 3.075 2.167 3.749 0.469 3 0 "[ . 1]" 1
275 1 66 ILE H 1 66 ILE MD 3.690 . 3.690 2.482 2.059 3.548 . 0 0 "[ . 1]" 1
276 1 66 ILE H 1 68 GLN H 7.000 . 7.000 6.989 6.667 7.326 0.326 7 0 "[ . 1]" 1
277 1 66 ILE MD 1 67 ILE H 5.820 . 5.820 4.736 3.862 5.109 . 0 0 "[ . 1]" 1
278 1 66 ILE MG 1 67 ILE H 4.010 . 4.010 2.648 2.344 3.470 . 0 0 "[ . 1]" 1
279 1 66 ILE MG 1 68 GLN H 6.200 . 6.200 4.671 4.074 6.575 0.375 8 0 "[ . 1]" 1
280 1 66 ILE MG 1 117 ILE H 5.320 . 5.320 4.099 3.750 4.562 . 0 0 "[ . 1]" 1
281 1 67 ILE H 1 67 ILE MD 5.750 . 5.750 4.544 4.019 4.863 . 0 0 "[ . 1]" 1
282 1 67 ILE H 1 68 GLN H 4.960 . 4.960 4.361 4.268 4.444 . 0 0 "[ . 1]" 1
283 1 67 ILE H 1 117 ILE H 4.210 . 4.210 3.416 2.641 4.130 . 0 0 "[ . 1]" 1
284 1 67 ILE H 1 117 ILE MG 5.570 . 5.570 5.387 4.934 5.895 0.325 4 0 "[ . 1]" 1
285 1 67 ILE H 1 118 GLY H 5.890 . 5.890 5.478 4.846 6.168 0.278 2 0 "[ . 1]" 1
286 1 67 ILE MD 1 69 PHE QD 4.670 . 4.670 3.988 3.097 4.819 0.149 5 0 "[ . 1]" 1
287 1 67 ILE MD 1 69 PHE QE 4.600 . 4.600 3.823 2.365 4.892 0.292 6 0 "[ . 1]" 1
288 1 72 ASN H 1 72 ASN HD21 4.030 . 4.030 3.258 2.641 3.853 . 0 0 "[ . 1]" 1
289 1 72 ASN H 1 72 ASN HD22 4.030 . 4.030 3.711 3.355 4.000 . 0 0 "[ . 1]" 1
290 1 77 PHE QD 1 81 VAL QG 4.560 . 4.560 3.530 2.340 4.186 . 0 0 "[ . 1]" 1
291 1 77 PHE QD 1 116 VAL QG 4.280 . 4.280 4.496 4.162 4.757 0.477 6 0 "[ . 1]" 1
292 1 77 PHE QE 1 81 VAL QG 4.810 . 4.810 3.771 2.128 4.897 0.087 9 0 "[ . 1]" 1
293 1 77 PHE QE 1 116 VAL QG 4.590 . 4.590 3.644 2.595 4.440 . 0 0 "[ . 1]" 1
294 1 80 LEU H 1 80 LEU MD1 5.270 . 5.270 3.562 1.862 4.309 . 0 0 "[ . 1]" 1
295 1 80 LEU H 1 80 LEU MD2 5.270 . 5.270 3.523 2.662 4.226 . 0 0 "[ . 1]" 1
296 1 80 LEU H 1 81 VAL MG1 5.610 . 5.610 5.089 3.837 5.939 0.329 2 0 "[ . 1]" 1
297 1 80 LEU H 1 81 VAL MG2 5.610 . 5.610 4.041 3.530 5.723 0.113 5 0 "[ . 1]" 1
298 1 80 LEU QD 1 81 VAL H 5.010 . 5.010 3.426 2.740 3.901 . 0 0 "[ . 1]" 1
299 1 80 LEU QD 1 81 VAL QG 3.320 . 3.320 3.405 2.207 3.793 0.473 2 0 "[ . 1]" 1
300 1 80 LEU QD 1 83 GLU H 6.420 . 6.420 4.688 4.029 5.367 . 0 0 "[ . 1]" 1
301 1 80 LEU QD 1 116 VAL QG 3.890 . 3.890 4.090 3.657 4.330 0.440 6 0 "[ . 1]" 1
302 1 81 VAL H 1 81 VAL QG 4.000 . 4.000 1.948 1.767 2.119 0.033 4 0 "[ . 1]" 1
303 1 81 VAL H 1 83 GLU H 5.530 . 5.530 4.055 3.813 4.292 . 0 0 "[ . 1]" 1
304 1 81 VAL H 1 84 ARG H 6.230 . 6.230 5.058 4.845 5.250 . 0 0 "[ . 1]" 1
305 1 81 VAL H 1 116 VAL QG 6.000 . 6.000 5.031 4.376 6.127 0.127 6 0 "[ . 1]" 1
306 1 81 VAL QG 1 82 GLN H 4.030 . 4.030 2.655 1.866 3.227 . 0 0 "[ . 1]" 1
307 1 81 VAL QG 1 83 GLU H 4.670 . 4.670 4.321 3.952 4.685 0.015 6 0 "[ . 1]" 1
308 1 81 VAL QG 1 85 GLY H 4.890 . 4.890 4.798 4.643 4.987 0.097 8 0 "[ . 1]" 1
309 1 81 VAL QG 1 86 GLY H 4.430 . 4.430 3.570 2.397 4.149 . 0 0 "[ . 1]" 1
310 1 81 VAL QG 1 87 GLN H 5.950 . 5.950 4.419 3.564 5.023 . 0 0 "[ . 1]" 1
311 1 81 VAL QG 1 89 GLU H 6.270 . 6.270 6.266 5.449 6.719 0.449 5 0 "[ . 1]" 1
312 1 81 VAL QG 1 98 PHE QD 4.990 . 4.990 4.039 2.351 5.145 0.155 3 0 "[ . 1]" 1
313 1 81 VAL QG 1 106 GLN H 5.110 . 5.110 5.192 5.047 5.511 0.401 10 0 "[ . 1]" 1
314 1 81 VAL QG 1 107 TYR H 5.540 . 5.540 4.394 4.187 4.720 . 0 0 "[ . 1]" 1
315 1 81 VAL QG 1 107 TYR QD 5.570 . 5.570 2.450 2.219 2.680 . 0 0 "[ . 1]" 1
316 1 81 VAL QG 1 108 VAL H 5.550 . 5.550 4.542 3.946 5.093 . 0 0 "[ . 1]" 1
317 1 81 VAL QG 1 109 LEU H 6.880 . 6.880 6.007 5.627 6.460 . 0 0 "[ . 1]" 1
318 1 81 VAL QG 1 109 LEU QD 3.940 . 3.940 2.937 2.388 3.464 . 0 0 "[ . 1]" 1
319 1 81 VAL QG 1 116 VAL H 5.690 . 5.690 4.992 4.213 5.868 0.178 6 0 "[ . 1]" 1
320 1 81 VAL QG 1 116 VAL QG 3.550 . 3.550 2.552 2.044 3.272 . 0 0 "[ . 1]" 1
321 1 81 VAL QG 1 117 ILE H 6.280 . 6.280 6.133 5.622 6.620 0.340 6 0 "[ . 1]" 1
322 1 81 VAL QG 1 118 GLY H 6.480 . 6.480 6.163 5.470 6.702 0.222 1 0 "[ . 1]" 1
323 1 81 VAL MG1 1 84 ARG H 5.820 . 5.820 5.147 4.745 5.584 . 0 0 "[ . 1]" 1
324 1 81 VAL MG1 1 107 TYR QD 6.900 . 6.900 2.736 2.529 3.125 . 0 0 "[ . 1]" 1
325 1 81 VAL MG1 1 116 VAL MG1 4.930 . 4.930 3.366 2.329 4.923 . 0 0 "[ . 1]" 1
326 1 81 VAL MG1 1 116 VAL MG2 4.930 . 4.930 3.824 2.336 5.020 0.090 1 0 "[ . 1]" 1
327 1 81 VAL MG2 1 84 ARG H 5.820 . 5.820 5.341 4.771 5.694 . 0 0 "[ . 1]" 1
328 1 81 VAL MG2 1 107 TYR QD 6.900 . 6.900 3.032 2.404 4.172 . 0 0 "[ . 1]" 1
329 1 81 VAL MG2 1 116 VAL MG1 4.930 . 4.930 3.584 2.583 4.502 . 0 0 "[ . 1]" 1
330 1 81 VAL MG2 1 116 VAL MG2 4.930 . 4.930 3.772 2.394 5.133 0.203 9 0 "[ . 1]" 1
331 1 82 GLN H 1 83 GLU H 3.790 . 3.790 2.599 2.480 2.682 . 0 0 "[ . 1]" 1
332 1 82 GLN H 1 84 ARG H 5.810 . 5.810 4.355 4.202 4.604 . 0 0 "[ . 1]" 1
333 1 82 GLN H 1 109 LEU QD 5.520 . 5.520 5.620 4.959 5.907 0.387 5 0 "[ . 1]" 1
334 1 83 GLU H 1 84 ARG H 4.160 . 4.160 2.819 2.554 2.889 . 0 0 "[ . 1]" 1
335 1 83 GLU H 1 109 LEU QD 6.880 . 6.880 5.898 5.532 6.172 . 0 0 "[ . 1]" 1
336 1 84 ARG H 1 85 GLY H 3.850 . 3.850 2.538 2.418 2.929 . 0 0 "[ . 1]" 1
337 1 84 ARG H 1 86 GLY H 4.240 . 4.240 4.222 3.532 4.513 0.273 7 0 "[ . 1]" 1
338 1 84 ARG H 1 109 LEU QD 5.580 . 5.580 4.282 4.025 4.496 . 0 0 "[ . 1]" 1
339 1 85 GLY H 1 86 GLY H 3.700 . 3.700 2.581 1.964 3.587 . 0 0 "[ . 1]" 1
340 1 86 GLY H 1 108 VAL QG 6.880 . 6.880 6.408 5.473 7.004 0.124 5 0 "[ . 1]" 1
341 1 86 GLY H 1 109 LEU QD 4.550 . 4.550 3.614 2.753 4.278 . 0 0 "[ . 1]" 1
342 1 87 GLN H 1 88 ARG H 6.110 . 6.110 4.280 4.136 4.330 . 0 0 "[ . 1]" 1
343 1 87 GLN H 1 107 TYR QD 7.000 . 7.000 3.628 2.801 5.562 . 0 0 "[ . 1]" 1
344 1 87 GLN H 1 108 VAL H 3.660 . 3.660 2.224 1.802 2.528 . 0 0 "[ . 1]" 1
345 1 87 GLN H 1 108 VAL QG 4.980 . 4.980 3.390 2.385 3.999 . 0 0 "[ . 1]" 1
346 1 87 GLN H 1 109 LEU H 5.510 . 5.510 5.188 4.735 5.818 0.308 8 0 "[ . 1]" 1
347 1 87 GLN H 1 109 LEU QD 6.280 . 6.280 3.816 3.212 4.536 . 0 0 "[ . 1]" 1
348 1 88 ARG H 1 89 GLU H 5.500 . 5.500 4.615 4.395 4.705 . 0 0 "[ . 1]" 1
349 1 88 ARG H 1 108 VAL H 6.890 . 6.890 5.082 4.558 5.895 . 0 0 "[ . 1]" 1
350 1 89 GLU H 1 106 GLN H 4.500 . 4.500 4.342 3.312 4.865 0.365 5 0 "[ . 1]" 1
351 1 89 GLU H 1 107 TYR H 5.070 . 5.070 5.214 4.822 5.535 0.465 3 0 "[ . 1]" 1
352 1 89 GLU H 1 108 VAL H 5.810 . 5.810 5.368 4.904 5.822 0.012 8 0 "[ . 1]" 1
353 1 89 GLU H 1 108 VAL QG 5.560 . 5.560 4.504 3.968 5.424 . 0 0 "[ . 1]" 1
354 1 89 GLU H 1 117 ILE MG 6.410 . 6.410 6.485 5.578 6.878 0.468 7 0 "[ . 1]" 1
355 1 93 ILE MD 1 96 ASP H 4.770 . 4.770 4.500 3.243 5.009 0.239 10 0 "[ . 1]" 1
356 1 95 ILE H 1 95 ILE MD 4.830 . 4.830 3.967 3.603 4.350 . 0 0 "[ . 1]" 1
357 1 95 ILE H 1 95 ILE MG 4.110 . 4.110 2.247 1.920 2.543 . 0 0 "[ . 1]" 1
358 1 95 ILE H 1 96 ASP H 4.530 . 4.530 2.579 2.113 2.908 . 0 0 "[ . 1]" 1
359 1 95 ILE MD 1 98 PHE H 5.580 . 5.580 4.863 3.087 5.954 0.374 8 0 "[ . 1]" 1
360 1 95 ILE MD 1 98 PHE QD 5.160 . 5.160 5.098 4.892 5.334 0.174 8 0 "[ . 1]" 1
361 1 95 ILE MG 1 96 ASP H 5.700 . 5.700 3.355 1.992 4.258 . 0 0 "[ . 1]" 1
362 1 96 ASP H 1 99 GLY H 7.000 . 7.000 5.370 3.640 7.205 0.205 5 0 "[ . 1]" 1
363 1 97 GLN H 1 98 PHE H 5.030 . 5.030 3.959 2.776 4.654 . 0 0 "[ . 1]" 1
364 1 97 GLN H 1 99 GLY H 5.030 . 5.030 4.328 3.267 4.886 . 0 0 "[ . 1]" 1
365 1 98 PHE H 1 99 GLY H 4.450 . 4.450 2.221 1.773 2.693 0.027 6 0 "[ . 1]" 1
366 1 98 PHE H 1 100 CYS H 4.780 . 4.780 3.904 2.650 4.847 0.067 7 0 "[ . 1]" 1
367 1 98 PHE QD 1 116 VAL QG 5.630 . 5.630 5.530 5.252 5.945 0.315 10 0 "[ . 1]" 1
368 1 100 CYS H 1 101 GLY H 5.680 . 5.680 3.609 1.575 4.667 0.225 8 0 "[ . 1]" 1
369 1 104 ALA H 1 105 ARG H 5.930 . 5.930 3.640 2.800 4.658 . 0 0 "[ . 1]" 1
370 1 104 ALA H 1 118 GLY H 6.530 . 6.530 6.216 4.736 6.891 0.361 4 0 "[ . 1]" 1
371 1 104 ALA MB 1 105 ARG H 5.500 . 5.500 2.911 1.774 3.725 0.026 3 0 "[ . 1]" 1
372 1 104 ALA MB 1 118 GLY H 6.190 . 6.190 5.030 2.806 6.606 0.416 1 0 "[ . 1]" 1
373 1 105 ARG H 1 106 GLN H 5.230 . 5.230 4.373 4.217 4.454 . 0 0 "[ . 1]" 1
374 1 105 ARG H 1 107 TYR H 7.000 . 7.000 6.906 6.761 7.127 0.127 10 0 "[ . 1]" 1
375 1 105 ARG H 1 116 VAL QG 6.880 . 6.880 6.248 5.444 7.139 0.259 1 0 "[ . 1]" 1
376 1 105 ARG H 1 117 ILE MG 7.000 . 7.000 4.442 3.436 5.373 . 0 0 "[ . 1]" 1
377 1 105 ARG H 1 118 GLY H 4.100 . 4.100 3.052 2.195 4.132 0.032 10 0 "[ . 1]" 1
378 1 106 GLN H 1 107 TYR H 4.790 . 4.790 4.038 3.833 4.128 . 0 0 "[ . 1]" 1
379 1 106 GLN H 1 117 ILE H 7.000 . 7.000 7.308 7.093 7.435 0.435 3 0 "[ . 1]" 1
380 1 106 GLN H 1 117 ILE MG 5.950 . 5.950 4.630 4.228 5.462 . 0 0 "[ . 1]" 1
381 1 106 GLN H 1 118 GLY H 5.270 . 5.270 5.046 4.357 5.491 0.221 3 0 "[ . 1]" 1
382 1 107 TYR H 1 108 VAL H 5.380 . 5.380 4.401 4.350 4.436 . 0 0 "[ . 1]" 1
383 1 107 TYR H 1 108 VAL QG 5.140 . 5.140 4.373 3.924 5.032 . 0 0 "[ . 1]" 1
384 1 107 TYR H 1 109 LEU QD 5.700 . 5.700 5.028 3.867 5.961 0.261 6 0 "[ . 1]" 1
385 1 107 TYR H 1 116 VAL H 3.680 . 3.680 3.308 2.999 3.477 . 0 0 "[ . 1]" 1
386 1 107 TYR H 1 116 VAL MG1 4.970 . 4.970 3.646 2.276 4.309 . 0 0 "[ . 1]" 1
387 1 107 TYR H 1 116 VAL MG2 4.970 . 4.970 4.460 3.818 4.843 . 0 0 "[ . 1]" 1
388 1 107 TYR H 1 117 ILE H 5.910 . 5.910 5.110 4.748 5.637 . 0 0 "[ . 1]" 1
389 1 107 TYR H 1 117 ILE MD 5.980 . 5.980 5.458 2.297 6.407 0.427 10 0 "[ . 1]" 1
390 1 107 TYR H 1 118 GLY H 6.240 . 6.240 5.685 5.151 6.550 0.310 7 0 "[ . 1]" 1
391 1 108 VAL H 1 108 VAL MG1 3.660 . 3.660 3.358 2.075 3.922 0.262 5 0 "[ . 1]" 1
392 1 108 VAL H 1 108 VAL MG2 3.660 . 3.660 2.765 2.080 3.960 0.300 6 0 "[ . 1]" 1
393 1 108 VAL H 1 109 LEU QD 4.620 . 4.620 3.681 3.318 4.642 0.022 6 0 "[ . 1]" 1
394 1 108 VAL H 1 110 MET H 7.000 . 7.000 6.790 6.353 7.279 0.279 6 0 "[ . 1]" 1
395 1 108 VAL H 1 112 GLY H 7.000 . 7.000 6.549 5.967 7.180 0.180 6 0 "[ . 1]" 1
396 1 108 VAL QG 1 109 LEU H 3.630 . 3.630 2.712 1.903 3.358 . 0 0 "[ . 1]" 1
397 1 108 VAL QG 1 109 LEU QD 4.820 . 4.820 3.706 3.153 4.031 . 0 0 "[ . 1]" 1
398 1 108 VAL QG 1 110 MET H 5.300 . 5.300 4.666 3.936 5.348 0.048 2 0 "[ . 1]" 1
399 1 108 VAL QG 1 111 ASN H 6.120 . 6.120 4.273 3.784 5.889 . 0 0 "[ . 1]" 1
400 1 108 VAL QG 1 112 GLY H 3.760 . 3.760 2.371 1.766 3.522 0.034 8 0 "[ . 1]" 1
401 1 108 VAL QG 1 113 LYS H 4.100 . 4.100 3.775 2.757 4.458 0.358 1 0 "[ . 1]" 1
402 1 108 VAL QG 1 114 LEU H 4.470 . 4.470 4.110 3.255 4.951 0.481 7 0 "[ . 1]" 1
403 1 108 VAL MG1 1 115 LYS H 7.000 . 7.000 5.958 4.633 7.390 0.390 8 0 "[ . 1]" 1
404 1 108 VAL MG2 1 115 LYS H 7.000 . 7.000 6.220 4.500 7.172 0.172 3 0 "[ . 1]" 1
405 1 109 LEU H 1 109 LEU MD1 4.770 . 4.770 3.309 2.042 4.159 . 0 0 "[ . 1]" 1
406 1 109 LEU H 1 109 LEU MD2 4.770 . 4.770 3.365 2.303 4.605 . 0 0 "[ . 1]" 1
407 1 109 LEU H 1 110 MET H 4.780 . 4.780 4.447 4.260 4.566 . 0 0 "[ . 1]" 1
408 1 109 LEU H 1 112 GLY H 5.100 . 5.100 3.942 3.496 4.561 . 0 0 "[ . 1]" 1
409 1 109 LEU H 1 113 LYS H 4.590 . 4.590 4.176 3.422 4.729 0.139 4 0 "[ . 1]" 1
410 1 109 LEU H 1 114 LEU H 3.950 . 3.950 3.302 2.578 4.037 0.087 3 0 "[ . 1]" 1
411 1 109 LEU H 1 115 LYS H 6.070 . 6.070 5.412 4.741 5.749 . 0 0 "[ . 1]" 1
412 1 109 LEU QD 1 114 LEU H 4.580 . 4.580 4.077 2.857 5.045 0.465 2 0 "[ . 1]" 1
413 1 109 LEU QD 1 115 LYS H 5.310 . 5.310 4.963 4.598 5.574 0.264 2 0 "[ . 1]" 1
414 1 109 LEU QD 1 116 VAL H 5.610 . 5.610 3.867 2.977 4.786 . 0 0 "[ . 1]" 1
415 1 109 LEU QD 1 116 VAL QG 3.580 . 3.580 2.417 1.850 3.511 . 0 0 "[ . 1]" 1
416 1 109 LEU MD1 1 110 MET H 5.040 . 5.040 3.667 2.787 4.366 . 0 0 "[ . 1]" 1
417 1 109 LEU MD2 1 110 MET H 5.040 . 5.040 4.384 3.747 5.039 . 0 0 "[ . 1]" 1
418 1 110 MET H 1 112 GLY H 6.170 . 6.170 5.115 3.826 5.783 . 0 0 "[ . 1]" 1
419 1 110 MET H 1 114 LEU H 6.140 . 6.140 5.743 5.298 6.312 0.172 5 0 "[ . 1]" 1
420 1 111 ASN H 1 112 GLY H 4.520 . 4.520 2.954 2.610 3.319 . 0 0 "[ . 1]" 1
421 1 111 ASN H 1 113 LYS H 5.320 . 5.320 2.960 2.229 4.521 . 0 0 "[ . 1]" 1
422 1 113 LYS H 1 114 LEU H 3.640 . 3.640 2.586 2.214 3.079 . 0 0 "[ . 1]" 1
423 1 113 LYS H 1 115 LYS H 6.650 . 6.650 6.332 5.782 6.594 . 0 0 "[ . 1]" 1
424 1 114 LEU H 1 114 LEU MD1 5.550 . 5.550 4.364 3.775 4.946 . 0 0 "[ . 1]" 1
425 1 114 LEU H 1 114 LEU MD2 5.550 . 5.550 3.985 2.410 4.916 . 0 0 "[ . 1]" 1
426 1 114 LEU H 1 115 LYS H 4.860 . 4.860 4.243 3.507 4.474 . 0 0 "[ . 1]" 1
427 1 114 LEU QD 1 115 LYS H 3.600 . 3.600 2.655 1.926 3.702 0.102 5 0 "[ . 1]" 1
428 1 114 LEU QD 1 116 VAL QG 4.410 . 4.410 3.350 2.068 4.228 . 0 0 "[ . 1]" 1
429 1 115 LYS H 1 116 VAL H 4.540 . 4.540 4.342 3.995 4.602 0.062 6 0 "[ . 1]" 1
430 1 115 LYS H 1 116 VAL QG 4.610 . 4.610 4.452 4.059 4.950 0.340 7 0 "[ . 1]" 1
431 1 115 LYS H 1 117 ILE H 7.000 . 7.000 6.529 6.152 7.266 0.266 10 0 "[ . 1]" 1
432 1 116 VAL H 1 116 VAL MG1 4.530 . 4.530 3.076 1.809 3.982 . 0 0 "[ . 1]" 1
433 1 116 VAL H 1 116 VAL MG2 4.530 . 4.530 3.013 2.313 3.880 . 0 0 "[ . 1]" 1
434 1 116 VAL H 1 118 GLY H 7.000 . 7.000 7.062 6.656 7.358 0.358 1 0 "[ . 1]" 1
435 1 116 VAL QG 1 117 ILE H 3.900 . 3.900 2.909 2.318 3.121 . 0 0 "[ . 1]" 1
436 1 116 VAL QG 1 118 GLY H 5.270 . 5.270 4.272 3.643 4.711 . 0 0 "[ . 1]" 1
437 1 117 ILE H 1 117 ILE MD 4.420 . 4.420 3.916 3.525 4.221 . 0 0 "[ . 1]" 1
438 1 117 ILE H 1 117 ILE MG 4.530 . 4.530 3.351 2.652 4.047 . 0 0 "[ . 1]" 1
439 1 117 ILE MD 1 118 GLY H 5.110 . 5.110 4.899 4.119 5.336 0.226 8 0 "[ . 1]" 1
440 1 117 ILE MG 1 118 GLY H 5.570 . 5.570 3.467 2.245 4.126 . 0 0 "[ . 1]" 1
441 1 121 PHE H 1 122 SER H 4.700 . 4.700 4.283 3.586 4.642 . 0 0 "[ . 1]" 1
442 1 124 LYS H 1 125 MET H 4.760 . 4.760 2.291 1.539 3.579 0.261 1 0 "[ . 1]" 1
443 1 124 LYS H 1 128 ILE MD 6.490 . 6.490 5.005 3.638 5.804 . 0 0 "[ . 1]" 1
444 1 125 MET H 1 126 GLN H 4.630 . 4.630 2.872 2.737 3.063 . 0 0 "[ . 1]" 1
445 1 125 MET H 1 127 SER H 4.870 . 4.870 4.092 3.812 4.314 . 0 0 "[ . 1]" 1
446 1 125 MET H 1 128 ILE MD 5.150 . 5.150 4.293 3.958 5.337 0.187 1 0 "[ . 1]" 1
447 1 126 GLN H 1 127 SER H 4.050 . 4.050 2.704 2.617 2.769 . 0 0 "[ . 1]" 1
448 1 126 GLN H 1 128 ILE H 4.770 . 4.770 4.355 4.160 4.552 . 0 0 "[ . 1]" 1
449 1 126 GLN H 1 129 ILE H 4.960 . 4.960 5.053 4.881 5.168 0.208 2 0 "[ . 1]" 1
450 1 126 GLN H 1 129 ILE MD 4.940 . 4.940 4.320 3.845 4.963 0.023 2 0 "[ . 1]" 1
451 1 127 SER H 1 128 ILE H 3.780 . 3.780 2.485 2.327 2.621 . 0 0 "[ . 1]" 1
452 1 127 SER H 1 128 ILE MD 4.810 . 4.810 4.361 3.114 4.961 0.151 4 0 "[ . 1]" 1
453 1 127 SER H 1 129 ILE H 4.290 . 4.290 4.108 3.879 4.307 0.017 8 0 "[ . 1]" 1
454 1 127 SER H 1 129 ILE MD 4.980 . 4.980 4.972 4.783 5.147 0.167 1 0 "[ . 1]" 1
455 1 127 SER H 1 130 ARG H 5.320 . 5.320 5.126 4.919 5.596 0.276 6 0 "[ . 1]" 1
456 1 128 ILE H 1 128 ILE MD 4.260 . 4.260 2.893 1.847 3.562 . 0 0 "[ . 1]" 1
457 1 128 ILE MD 1 129 ILE H 4.530 . 4.530 4.314 3.984 4.512 . 0 0 "[ . 1]" 1
458 1 129 ILE H 1 129 ILE MD 5.080 . 5.080 3.455 3.364 3.697 . 0 0 "[ . 1]" 1
459 1 129 ILE H 1 130 ARG H 4.080 . 4.080 2.864 2.710 2.966 . 0 0 "[ . 1]" 1
460 1 129 ILE H 1 131 ASP H 4.520 . 4.520 4.206 4.089 4.299 . 0 0 "[ . 1]" 1
461 1 129 ILE H 1 132 TYR H 5.630 . 5.630 5.242 5.000 5.592 . 0 0 "[ . 1]" 1
462 1 129 ILE H 1 133 SER H 5.790 . 5.790 5.691 5.385 5.950 0.160 4 0 "[ . 1]" 1
463 1 129 ILE H 1 151 LEU QD 6.880 . 6.880 5.968 5.091 6.415 . 0 0 "[ . 1]" 1
464 1 129 ILE MD 1 130 ARG H 4.600 . 4.600 3.931 2.311 4.329 . 0 0 "[ . 1]" 1
465 1 129 ILE MD 1 147 ASP H 6.410 . 6.410 5.045 3.937 6.091 . 0 0 "[ . 1]" 1
466 1 129 ILE MD 1 148 SER H 5.490 . 5.490 4.573 3.452 5.567 0.077 8 0 "[ . 1]" 1
467 1 129 ILE MG 1 130 ARG H 4.190 . 4.190 3.386 2.923 3.959 . 0 0 "[ . 1]" 1
468 1 129 ILE MG 1 131 ASP H 5.290 . 5.290 5.013 4.640 5.486 0.196 4 0 "[ . 1]" 1
469 1 130 ARG H 1 131 ASP H 4.180 . 4.180 2.870 2.637 2.957 . 0 0 "[ . 1]" 1
470 1 130 ARG H 1 132 TYR H 4.700 . 4.700 4.529 4.249 4.768 0.068 6 0 "[ . 1]" 1
471 1 130 ARG H 1 133 SER H 5.450 . 5.450 5.010 4.787 5.474 0.024 7 0 "[ . 1]" 1
472 1 130 ARG H 1 151 LEU QD 5.050 . 5.050 4.478 3.846 5.214 0.164 4 0 "[ . 1]" 1
473 1 131 ASP H 1 132 TYR H 4.270 . 4.270 2.837 2.659 2.986 . 0 0 "[ . 1]" 1
474 1 131 ASP H 1 133 SER H 4.720 . 4.720 4.581 3.975 4.829 0.109 7 0 "[ . 1]" 1
475 1 132 TYR H 1 133 SER H 4.230 . 4.230 2.423 2.123 2.572 . 0 0 "[ . 1]" 1
476 1 133 SER H 1 134 ASP H 5.690 . 5.690 3.434 2.524 4.626 . 0 0 "[ . 1]" 1
477 1 133 SER H 1 136 VAL QG 6.730 . 6.730 5.463 4.735 6.808 0.078 4 0 "[ . 1]" 1
478 1 134 ASP H 1 135 LEU H 4.040 . 4.040 2.288 1.901 4.159 0.119 4 0 "[ . 1]" 1
479 1 134 ASP H 1 136 VAL H 5.740 . 5.740 5.726 5.156 6.182 0.442 9 0 "[ . 1]" 1
480 1 134 ASP H 1 136 VAL QG 5.450 . 5.450 4.229 3.467 5.352 . 0 0 "[ . 1]" 1
481 1 135 LEU H 1 136 VAL H 4.840 . 4.840 4.254 4.051 4.449 . 0 0 "[ . 1]" 1
482 1 135 LEU H 1 136 VAL QG 5.370 . 5.370 3.717 3.081 5.344 . 0 0 "[ . 1]" 1
483 1 135 LEU H 1 137 ILE H 7.000 . 7.000 6.956 6.724 7.224 0.224 4 0 "[ . 1]" 1
484 1 135 LEU QD 1 153 LYS H 5.670 . 5.670 5.715 5.342 6.089 0.419 6 0 "[ . 1]" 1
485 1 135 LEU QD 1 156 ILE H 4.540 . 4.540 3.688 3.271 4.225 . 0 0 "[ . 1]" 1
486 1 135 LEU QD 1 195 LEU QD 4.170 . 4.170 2.967 2.404 3.908 . 0 0 "[ . 1]" 1
487 1 135 LEU MD1 1 136 VAL H 4.300 . 4.300 2.263 1.795 3.450 0.005 5 0 "[ . 1]" 1
488 1 135 LEU MD2 1 136 VAL H 4.300 . 4.300 3.877 3.392 4.420 0.120 4 0 "[ . 1]" 1
489 1 136 VAL H 1 137 ILE H 5.370 . 5.370 4.386 4.344 4.515 . 0 0 "[ . 1]" 1
490 1 136 VAL H 1 138 SER H 6.470 . 6.470 6.136 5.711 6.603 0.133 2 0 "[ . 1]" 1
491 1 136 VAL H 1 148 SER H 7.000 . 7.000 7.183 7.005 7.438 0.438 1 0 "[ . 1]" 1
492 1 136 VAL H 1 155 LEU QD 4.170 . 4.170 3.830 2.997 4.579 0.409 4 0 "[ . 1]" 1
493 1 136 VAL H 1 156 ILE H 5.060 . 5.060 4.858 4.056 5.097 0.037 10 0 "[ . 1]" 1
494 1 136 VAL H 1 156 ILE MD 5.670 . 5.670 5.410 4.769 5.825 0.155 8 0 "[ . 1]" 1
495 1 136 VAL H 1 195 LEU QD 6.390 . 6.390 6.315 5.807 6.685 0.295 7 0 "[ . 1]" 1
496 1 136 VAL QG 1 137 ILE HA 5.910 . 5.910 3.660 3.378 3.818 . 0 0 "[ . 1]" 1
497 1 136 VAL QG 1 138 SER H 6.160 . 6.160 3.647 3.044 4.129 . 0 0 "[ . 1]" 1
498 1 136 VAL QG 1 155 LEU QD 4.320 . 4.320 2.379 1.951 2.956 . 0 0 "[ . 1]" 1
499 1 136 VAL QG 1 156 ILE H 6.860 . 6.860 4.612 4.041 5.253 . 0 0 "[ . 1]" 1
500 1 136 VAL MG1 1 137 ILE H 4.580 . 4.580 3.696 2.475 4.136 . 0 0 "[ . 1]" 1
501 1 136 VAL MG2 1 137 ILE H 4.580 . 4.580 3.226 2.003 4.007 . 0 0 "[ . 1]" 1
502 1 137 ILE H 1 137 ILE MD 5.210 . 5.210 3.806 3.748 3.892 . 0 0 "[ . 1]" 1
503 1 137 ILE H 1 137 ILE MG 4.540 . 4.540 3.778 3.046 3.874 . 0 0 "[ . 1]" 1
504 1 137 ILE MD 1 191 LEU QD 3.640 . 3.640 3.580 2.722 3.951 0.311 3 0 "[ . 1]" 1
505 1 137 ILE MG 1 138 SER H 3.880 . 3.880 3.244 2.847 3.884 0.004 3 0 "[ . 1]" 1
506 1 137 ILE MG 1 191 LEU QD 4.870 . 4.870 3.449 2.756 3.760 . 0 0 "[ . 1]" 1
507 1 138 SER H 1 138 SER HG 5.320 . 5.320 3.056 2.025 4.451 . 0 0 "[ . 1]" 1
508 1 138 SER H 1 139 HIS H 5.040 . 5.040 4.341 4.288 4.445 . 0 0 "[ . 1]" 1
509 1 138 SER H 1 140 ALA H 6.930 . 6.930 5.849 4.721 7.040 0.110 8 0 "[ . 1]" 1
510 1 138 SER H 1 145 ILE H 7.000 . 7.000 6.731 6.229 7.031 0.031 10 0 "[ . 1]" 1
511 1 138 SER H 1 145 ILE MD 5.790 . 5.790 5.051 4.388 5.833 0.043 8 0 "[ . 1]" 1
512 1 138 SER H 1 157 VAL H 5.570 . 5.570 5.455 4.809 5.814 0.244 1 0 "[ . 1]" 1
513 1 138 SER H 1 157 VAL QG 4.410 . 4.410 3.747 3.290 4.337 . 0 0 "[ . 1]" 1
514 1 138 SER HG 1 139 HIS H 4.230 . 4.230 3.570 2.436 4.293 0.063 3 0 "[ . 1]" 1
515 1 138 SER HG 1 141 GLY H 5.590 . 5.590 3.664 1.831 5.056 . 0 0 "[ . 1]" 1
516 1 138 SER HG 1 145 ILE H 6.190 . 6.190 4.834 3.963 6.171 . 0 0 "[ . 1]" 1
517 1 138 SER HG 1 158 CYS H 6.000 . 6.000 5.078 3.715 6.132 0.132 3 0 "[ . 1]" 1
518 1 139 HIS H 1 140 ALA H 4.290 . 4.290 2.957 1.676 4.513 0.223 7 0 "[ . 1]" 1
519 1 139 HIS H 1 141 GLY H 5.310 . 5.310 3.488 2.313 4.645 . 0 0 "[ . 1]" 1
520 1 139 HIS H 1 145 ILE MD 5.320 . 5.320 5.197 4.940 5.610 0.290 7 0 "[ . 1]" 1
521 1 139 HIS H 1 155 LEU QD 6.880 . 6.880 5.740 4.439 6.621 . 0 0 "[ . 1]" 1
522 1 139 HIS H 1 157 VAL MG1 6.160 . 6.160 5.301 4.869 6.108 . 0 0 "[ . 1]" 1
523 1 139 HIS H 1 157 VAL MG2 6.160 . 6.160 5.016 2.808 6.554 0.394 7 0 "[ . 1]" 1
524 1 139 HIS H 1 158 CYS H 5.140 . 5.140 4.451 4.090 4.770 . 0 0 "[ . 1]" 1
525 1 140 ALA H 1 141 GLY H 4.900 . 4.900 2.431 1.575 3.869 0.225 1 0 "[ . 1]" 1
526 1 140 ALA H 1 145 ILE MD 5.510 . 5.510 4.407 2.768 5.655 0.145 3 0 "[ . 1]" 1
527 1 140 ALA H 1 157 VAL QG 5.100 . 5.100 3.514 1.745 4.445 0.055 10 0 "[ . 1]" 1
528 1 140 ALA MB 1 141 GLY H 6.110 . 6.110 3.320 2.165 3.741 . 0 0 "[ . 1]" 1
529 1 140 ALA MB 1 157 VAL QG 4.440 . 4.440 3.711 2.736 4.790 0.350 7 0 "[ . 1]" 1
530 1 140 ALA MB 1 158 CYS H 6.040 . 6.040 5.465 4.820 6.412 0.372 9 0 "[ . 1]" 1
531 1 140 ALA MB 1 159 VAL QG 4.810 . 4.810 4.271 3.184 5.049 0.239 4 0 "[ . 1]" 1
532 1 140 ALA MB 1 160 ASN H 6.110 . 6.110 5.023 3.120 6.345 0.235 4 0 "[ . 1]" 1
533 1 141 GLY H 1 144 SER H 6.230 . 6.230 5.570 4.979 6.559 0.329 7 0 "[ . 1]" 1
534 1 141 GLY H 1 145 ILE MD 4.790 . 4.790 3.499 2.250 4.090 . 0 0 "[ . 1]" 1
535 1 141 GLY H 1 157 VAL MG1 5.700 . 5.700 5.176 4.439 6.020 0.320 5 0 "[ . 1]" 1
536 1 141 GLY H 1 157 VAL MG2 5.700 . 5.700 4.680 2.742 5.588 . 0 0 "[ . 1]" 1
537 1 141 GLY H 1 158 CYS H 7.000 . 7.000 6.180 5.230 7.078 0.078 4 0 "[ . 1]" 1
538 1 143 GLY H 1 144 SER H 5.080 . 5.080 2.572 2.416 2.685 . 0 0 "[ . 1]" 1
539 1 144 SER H 1 145 ILE H 4.340 . 4.340 2.707 2.437 3.065 . 0 0 "[ . 1]" 1
540 1 144 SER H 1 145 ILE MD 5.390 . 5.390 5.112 4.871 5.545 0.155 5 0 "[ . 1]" 1
541 1 144 SER H 1 146 LEU H 4.510 . 4.510 4.117 3.911 4.438 . 0 0 "[ . 1]" 1
542 1 144 SER H 1 147 ASP H 6.660 . 6.660 5.605 5.203 5.783 . 0 0 "[ . 1]" 1
543 1 144 SER H 1 148 SER H 7.000 . 7.000 6.805 6.698 6.970 . 0 0 "[ . 1]" 1
544 1 144 SER H 1 155 LEU QD 6.880 . 6.880 6.226 5.379 6.640 . 0 0 "[ . 1]" 1
545 1 145 ILE H 1 145 ILE MD 4.820 . 4.820 3.450 3.346 3.541 . 0 0 "[ . 1]" 1
546 1 145 ILE H 1 146 LEU H 4.100 . 4.100 2.646 2.448 2.769 . 0 0 "[ . 1]" 1
547 1 145 ILE H 1 148 SER H 5.700 . 5.700 5.236 5.029 5.354 . 0 0 "[ . 1]" 1
548 1 145 ILE H 1 149 LEU QD 6.880 . 6.880 6.021 5.295 6.629 . 0 0 "[ . 1]" 1
549 1 145 ILE H 1 155 LEU QD 4.920 . 4.920 4.416 3.949 4.885 . 0 0 "[ . 1]" 1
550 1 145 ILE H 1 157 VAL QG 5.640 . 5.640 5.553 5.311 5.662 0.022 3 0 "[ . 1]" 1
551 1 145 ILE MD 1 146 LEU H 5.150 . 5.150 4.695 4.348 4.893 . 0 0 "[ . 1]" 1
552 1 145 ILE MD 1 155 LEU QD 3.650 . 3.650 3.096 2.874 3.368 . 0 0 "[ . 1]" 1
553 1 145 ILE MD 1 157 VAL MG1 4.070 . 4.070 3.030 2.094 3.497 . 0 0 "[ . 1]" 1
554 1 145 ILE MD 1 157 VAL MG2 4.070 . 4.070 2.664 2.156 4.069 . 0 0 "[ . 1]" 1
555 1 145 ILE MD 1 158 CYS H 7.000 . 7.000 5.762 5.234 6.247 . 0 0 "[ . 1]" 1
556 1 145 ILE MD 1 171 ILE H 7.000 . 7.000 7.003 5.990 7.425 0.425 6 0 "[ . 1]" 1
557 1 145 ILE MD 1 172 ALA H 5.610 . 5.610 5.709 5.456 5.891 0.281 5 0 "[ . 1]" 1
558 1 145 ILE MD 1 175 PHE QD 5.380 . 5.380 3.919 2.310 4.644 . 0 0 "[ . 1]" 1
559 1 145 ILE MD 1 175 PHE QE 5.260 . 5.260 3.981 2.736 5.273 0.013 10 0 "[ . 1]" 1
560 1 146 LEU H 1 146 LEU MD1 5.530 . 5.530 3.963 3.450 4.287 . 0 0 "[ . 1]" 1
561 1 146 LEU H 1 146 LEU MD2 5.530 . 5.530 3.675 1.955 4.419 . 0 0 "[ . 1]" 1
562 1 146 LEU H 1 149 LEU QD 6.010 . 6.010 4.849 4.138 5.541 . 0 0 "[ . 1]" 1
563 1 146 LEU QD 1 147 ASP H 5.200 . 5.200 3.758 3.345 4.359 . 0 0 "[ . 1]" 1
564 1 146 LEU QD 1 149 LEU QD 4.700 . 4.700 3.048 2.310 4.062 . 0 0 "[ . 1]" 1
565 1 146 LEU QD 1 150 ARG H 4.960 . 4.960 4.442 3.685 5.363 0.403 8 0 "[ . 1]" 1
566 1 146 LEU QD 1 175 PHE QE 5.180 . 5.180 4.622 3.698 5.490 0.310 7 0 "[ . 1]" 1
567 1 147 ASP H 1 148 SER H 4.380 . 4.380 2.666 2.572 2.723 . 0 0 "[ . 1]" 1
568 1 147 ASP H 1 149 LEU QD 6.180 . 6.180 5.478 4.682 6.010 . 0 0 "[ . 1]" 1
569 1 147 ASP H 1 150 ARG H 5.230 . 5.230 5.023 4.912 5.212 . 0 0 "[ . 1]" 1
570 1 147 ASP H 1 151 LEU H 6.470 . 6.470 6.247 6.108 6.500 0.030 5 0 "[ . 1]" 1
571 1 147 ASP H 1 155 LEU QD 5.870 . 5.870 5.614 5.182 5.997 0.127 9 0 "[ . 1]" 1
572 1 148 SER H 1 149 LEU H 4.540 . 4.540 2.753 2.537 2.898 . 0 0 "[ . 1]" 1
573 1 148 SER H 1 150 ARG H 4.810 . 4.810 4.584 4.477 4.734 . 0 0 "[ . 1]" 1
574 1 148 SER H 1 151 LEU H 5.420 . 5.420 4.953 4.851 5.077 . 0 0 "[ . 1]" 1
575 1 148 SER H 1 152 ASN H 7.000 . 7.000 6.929 6.745 7.141 0.141 6 0 "[ . 1]" 1
576 1 148 SER H 1 153 LYS H 6.860 . 6.860 6.645 6.070 6.894 0.034 4 0 "[ . 1]" 1
577 1 148 SER H 1 155 LEU QD 4.340 . 4.340 4.131 3.720 4.593 0.253 6 0 "[ . 1]" 1
578 1 149 LEU H 1 149 LEU MD1 5.490 . 5.490 3.957 3.552 4.327 . 0 0 "[ . 1]" 1
579 1 149 LEU H 1 149 LEU MD2 5.490 . 5.490 3.947 2.932 4.355 . 0 0 "[ . 1]" 1
580 1 149 LEU H 1 150 ARG H 3.900 . 3.900 2.502 2.307 2.646 . 0 0 "[ . 1]" 1
581 1 149 LEU H 1 151 LEU H 4.870 . 4.870 3.740 3.649 3.875 . 0 0 "[ . 1]" 1
582 1 149 LEU H 1 153 LYS H 5.520 . 5.520 5.502 5.088 5.753 0.233 9 0 "[ . 1]" 1
583 1 149 LEU H 1 155 LEU MD1 5.870 . 5.870 5.260 4.347 5.941 0.071 8 0 "[ . 1]" 1
584 1 149 LEU H 1 155 LEU MD2 5.870 . 5.870 4.917 3.993 6.169 0.299 3 0 "[ . 1]" 1
585 1 149 LEU QD 1 151 LEU H 6.320 . 6.320 5.053 4.526 5.528 . 0 0 "[ . 1]" 1
586 1 149 LEU QD 1 153 LYS H 5.080 . 5.080 5.141 4.644 5.414 0.334 9 0 "[ . 1]" 1
587 1 149 LEU QD 1 155 LEU QD 4.740 . 4.740 3.582 2.723 4.832 0.092 9 0 "[ . 1]" 1
588 1 149 LEU QD 1 181 VAL QG 4.020 . 4.020 3.753 3.297 4.087 0.067 4 0 "[ . 1]" 1
589 1 149 LEU QD 1 208 VAL H 5.590 . 5.590 2.922 1.816 4.195 . 0 0 "[ . 1]" 1
590 1 149 LEU MD1 1 150 ARG H 5.700 . 5.700 4.310 3.687 4.588 . 0 0 "[ . 1]" 1
591 1 149 LEU MD1 1 175 PHE QE 6.300 . 6.300 3.530 2.372 4.872 . 0 0 "[ . 1]" 1
592 1 149 LEU MD1 1 206 PHE H 5.880 . 5.880 4.067 1.807 5.887 0.007 9 0 "[ . 1]" 1
593 1 149 LEU MD2 1 150 ARG H 5.700 . 5.700 4.378 3.700 4.791 . 0 0 "[ . 1]" 1
594 1 149 LEU MD2 1 175 PHE QE 6.300 . 6.300 3.390 2.359 5.213 . 0 0 "[ . 1]" 1
595 1 149 LEU MD2 1 206 PHE H 5.880 . 5.880 3.983 3.010 5.429 . 0 0 "[ . 1]" 1
596 1 150 ARG H 1 151 LEU H 4.240 . 4.240 2.608 2.467 2.731 . 0 0 "[ . 1]" 1
597 1 150 ARG H 1 151 LEU QD 5.960 . 5.960 4.185 3.682 4.571 . 0 0 "[ . 1]" 1
598 1 150 ARG H 1 152 ASN H 4.550 . 4.550 4.037 3.932 4.179 . 0 0 "[ . 1]" 1
599 1 150 ARG H 1 153 LYS H 5.400 . 5.400 5.637 5.399 5.818 0.418 2 0 "[ . 1]" 1
600 1 150 ARG H 1 155 LEU QD 6.880 . 6.880 6.146 5.618 6.573 . 0 0 "[ . 1]" 1
601 1 151 LEU H 1 151 LEU QD 4.410 . 4.410 2.767 2.314 3.255 . 0 0 "[ . 1]" 1
602 1 151 LEU H 1 152 ASN H 4.000 . 4.000 2.578 2.427 2.694 . 0 0 "[ . 1]" 1
603 1 151 LEU H 1 153 LYS H 4.010 . 4.010 3.880 3.538 4.085 0.075 2 0 "[ . 1]" 1
604 1 151 LEU QD 1 152 ASN H 4.700 . 4.700 4.241 4.059 4.496 . 0 0 "[ . 1]" 1
605 1 151 LEU QD 1 153 LYS H 5.690 . 5.690 4.455 4.179 4.778 . 0 0 "[ . 1]" 1
606 1 152 ASN H 1 153 LYS H 3.740 . 3.740 2.787 2.700 3.081 . 0 0 "[ . 1]" 1
607 1 155 LEU QD 1 156 ILE MD 4.550 . 4.550 4.104 3.581 4.770 0.220 8 0 "[ . 1]" 1
608 1 155 LEU QD 1 157 VAL H 6.300 . 6.300 3.939 2.983 4.614 . 0 0 "[ . 1]" 1
609 1 155 LEU QD 1 182 TRP H 6.880 . 6.880 4.720 3.282 6.263 . 0 0 "[ . 1]" 1
610 1 155 LEU MD1 1 156 ILE H 4.060 . 4.060 3.072 1.897 4.236 0.176 6 0 "[ . 1]" 1
611 1 155 LEU MD2 1 156 ILE H 4.560 . 4.560 3.854 2.475 4.485 . 0 0 "[ . 1]" 1
612 1 156 ILE H 1 156 ILE MD 4.960 . 4.960 2.820 2.154 3.785 . 0 0 "[ . 1]" 1
613 1 156 ILE H 1 156 ILE MG 4.490 . 4.490 3.867 3.675 3.953 . 0 0 "[ . 1]" 1
614 1 156 ILE H 1 157 VAL H 4.790 . 4.790 4.341 4.232 4.419 . 0 0 "[ . 1]" 1
615 1 156 ILE MD 1 191 LEU QD 5.240 . 5.240 4.475 2.869 5.377 0.137 7 0 "[ . 1]" 1
616 1 156 ILE MD 1 194 GLY H 5.940 . 5.940 5.367 4.189 5.930 . 0 0 "[ . 1]" 1
617 1 156 ILE MD 1 195 LEU H 4.370 . 4.370 3.911 3.136 4.318 . 0 0 "[ . 1]" 1
618 1 156 ILE MD 1 195 LEU MD1 4.600 . 4.600 3.659 2.314 4.635 0.035 6 0 "[ . 1]" 1
619 1 156 ILE MD 1 195 LEU MD2 4.600 . 4.600 2.407 2.040 3.179 . 0 0 "[ . 1]" 1
620 1 156 ILE MD 1 196 ARG H 5.120 . 5.120 5.105 4.767 5.387 0.267 1 0 "[ . 1]" 1
621 1 156 ILE MD 1 197 ALA H 5.180 . 5.180 5.125 4.487 5.540 0.360 1 0 "[ . 1]" 1
622 1 156 ILE MD 1 198 SER H 4.830 . 4.830 3.611 3.037 4.076 . 0 0 "[ . 1]" 1
623 1 156 ILE MD 1 199 GLN H 5.410 . 5.410 4.734 4.506 5.101 . 0 0 "[ . 1]" 1
624 1 156 ILE MD 1 200 THR H 6.960 . 6.960 6.527 6.180 6.778 . 0 0 "[ . 1]" 1
625 1 156 ILE MD 1 201 GLU H 7.000 . 7.000 7.167 6.892 7.383 0.383 2 0 "[ . 1]" 1
626 1 156 ILE MG 1 184 CYS H 4.280 . 4.280 4.152 3.894 4.321 0.041 9 0 "[ . 1]" 1
627 1 156 ILE MG 1 198 SER H 5.070 . 5.070 4.779 3.675 5.484 0.414 6 0 "[ . 1]" 1
628 1 157 VAL H 1 157 VAL MG1 4.250 . 4.250 2.954 1.866 3.781 . 0 0 "[ . 1]" 1
629 1 157 VAL H 1 157 VAL MG2 4.250 . 4.250 2.923 2.078 3.904 . 0 0 "[ . 1]" 1
630 1 157 VAL H 1 158 CYS H 5.140 . 5.140 4.430 4.387 4.483 . 0 0 "[ . 1]" 1
631 1 157 VAL H 1 159 VAL H 6.010 . 6.010 5.684 5.452 6.018 0.008 3 0 "[ . 1]" 1
632 1 157 VAL H 1 159 VAL HB 7.000 . 7.000 7.001 6.622 7.407 0.407 1 0 "[ . 1]" 1
633 1 157 VAL H 1 181 VAL QG 5.310 . 5.310 3.873 3.037 5.620 0.310 9 0 "[ . 1]" 1
634 1 157 VAL H 1 183 SER H 5.250 . 5.250 5.281 5.005 5.515 0.265 8 0 "[ . 1]" 1
635 1 157 VAL H 1 184 CYS H 4.680 . 4.680 3.913 3.235 4.405 . 0 0 "[ . 1]" 1
636 1 157 VAL H 1 184 CYS HG 7.000 . 7.000 5.930 4.577 7.164 0.164 4 0 "[ . 1]" 1
637 1 157 VAL QG 1 158 CYS H 3.610 . 3.610 2.926 2.478 3.537 . 0 0 "[ . 1]" 1
638 1 157 VAL QG 1 159 VAL H 5.580 . 5.580 3.621 3.334 4.040 . 0 0 "[ . 1]" 1
639 1 157 VAL QG 1 181 VAL QG 4.840 . 4.840 2.308 2.010 3.908 . 0 0 "[ . 1]" 1
640 1 157 VAL MG1 1 182 TRP H 7.000 . 7.000 5.671 4.622 6.674 . 0 0 "[ . 1]" 1
641 1 157 VAL MG2 1 182 TRP H 7.000 . 7.000 5.552 4.317 7.605 0.605 3 1 "[ + . 1]" 1
642 1 158 CYS H 1 159 VAL H 4.630 . 4.630 4.303 4.184 4.522 . 0 0 "[ . 1]" 1
643 1 159 VAL H 1 159 VAL HB 4.180 . 4.180 2.582 2.474 2.752 . 0 0 "[ . 1]" 1
644 1 159 VAL H 1 159 VAL MG1 4.550 . 4.550 3.852 3.814 3.929 . 0 0 "[ . 1]" 1
645 1 159 VAL H 1 159 VAL MG2 4.550 . 4.550 2.430 2.238 2.671 . 0 0 "[ . 1]" 1
646 1 159 VAL H 1 160 ASN H 4.770 . 4.770 4.496 3.947 4.610 . 0 0 "[ . 1]" 1
647 1 159 VAL H 1 184 CYS H 3.880 . 3.880 3.184 2.800 3.840 . 0 0 "[ . 1]" 1
648 1 159 VAL H 1 191 LEU QD 5.300 . 5.300 5.339 5.148 5.552 0.252 9 0 "[ . 1]" 1
649 1 159 VAL HB 1 183 SER H 7.000 . 7.000 7.021 6.511 7.270 0.270 9 0 "[ . 1]" 1
650 1 159 VAL HB 1 185 ALA H 6.070 . 6.070 4.999 3.713 6.095 0.025 3 0 "[ . 1]" 1
651 1 159 VAL QG 1 160 ASN H 3.920 . 3.920 2.428 2.155 3.329 . 0 0 "[ . 1]" 1
652 1 159 VAL QG 1 161 ASP H 5.240 . 5.240 4.854 3.198 5.363 0.123 6 0 "[ . 1]" 1
653 1 159 VAL QG 1 169 GLN H 5.830 . 5.830 5.462 4.385 6.067 0.237 2 0 "[ . 1]" 1
654 1 159 VAL QG 1 170 GLN H 6.260 . 6.260 6.046 5.473 6.338 0.078 5 0 "[ . 1]" 1
655 1 159 VAL QG 1 171 ILE H 6.880 . 6.880 6.503 5.744 6.981 0.101 7 0 "[ . 1]" 1
656 1 159 VAL QG 1 172 ALA MB 5.300 . 5.300 2.391 1.998 2.833 . 0 0 "[ . 1]" 1
657 1 159 VAL QG 1 173 ASP H 4.310 . 4.310 3.979 3.603 4.514 0.204 9 0 "[ . 1]" 1
658 1 159 VAL QG 1 174 LYS H 6.700 . 6.700 5.898 5.438 6.447 . 0 0 "[ . 1]" 1
659 1 159 VAL QG 1 175 PHE H 6.190 . 6.190 6.133 5.853 6.454 0.264 7 0 "[ . 1]" 1
660 1 159 VAL QG 1 176 VAL QG 4.110 . 4.110 3.367 2.265 4.225 0.115 6 0 "[ . 1]" 1
661 1 159 VAL QG 1 181 VAL H 6.880 . 6.880 6.714 5.800 7.173 0.293 9 0 "[ . 1]" 1
662 1 159 VAL QG 1 184 CYS H 6.620 . 6.620 2.603 2.001 3.989 . 0 0 "[ . 1]" 1
663 1 159 VAL QG 1 185 ALA MB 4.550 . 4.550 4.016 3.283 4.767 0.217 3 0 "[ . 1]" 1
664 1 159 VAL MG1 1 172 ALA H 5.900 . 5.900 5.502 4.649 6.123 0.223 1 0 "[ . 1]" 1
665 1 159 VAL MG2 1 172 ALA H 5.900 . 5.900 5.526 4.490 6.052 0.152 7 0 "[ . 1]" 1
666 1 161 ASP H 1 163 LEU H 5.910 . 5.910 5.352 4.410 6.072 0.162 9 0 "[ . 1]" 1
667 1 162 SER H 1 163 LEU H 4.170 . 4.170 3.479 2.131 4.232 0.062 7 0 "[ . 1]" 1
668 1 162 SER H 1 163 LEU QD 5.440 . 5.440 4.644 3.122 5.611 0.171 7 0 "[ . 1]" 1
669 1 163 LEU H 1 163 LEU QD 4.520 . 4.520 2.996 1.894 4.122 . 0 0 "[ . 1]" 1
670 1 163 LEU H 1 164 MET H 5.640 . 5.640 3.406 2.201 4.489 . 0 0 "[ . 1]" 1
671 1 164 MET H 1 165 ASP H 4.860 . 4.860 3.134 1.680 4.634 0.120 1 0 "[ . 1]" 1
672 1 167 HIS H 1 168 GLN H 4.400 . 4.400 2.628 2.484 2.794 . 0 0 "[ . 1]" 1
673 1 168 GLN H 1 169 GLN H 4.220 . 4.220 2.799 2.601 3.093 . 0 0 "[ . 1]" 1
674 1 168 GLN H 1 170 GLN H 4.400 . 4.400 4.055 3.818 4.417 0.017 10 0 "[ . 1]" 1
675 1 168 GLN H 1 171 ILE H 5.210 . 5.210 5.073 4.644 5.442 0.232 2 0 "[ . 1]" 1
676 1 169 GLN H 1 170 GLN H 3.720 . 3.720 2.593 2.426 2.746 . 0 0 "[ . 1]" 1
677 1 169 GLN H 1 173 ASP H 6.430 . 6.430 5.834 5.441 6.330 . 0 0 "[ . 1]" 1
678 1 170 GLN H 1 172 ALA H 4.910 . 4.910 3.955 3.784 4.265 . 0 0 "[ . 1]" 1
679 1 170 GLN H 1 173 ASP H 5.020 . 5.020 4.854 4.601 5.229 0.209 10 0 "[ . 1]" 1
680 1 171 ILE H 1 172 ALA H 3.680 . 3.680 2.549 2.473 2.733 . 0 0 "[ . 1]" 1
681 1 171 ILE H 1 172 ALA MB 5.560 . 5.560 4.278 4.102 4.404 . 0 0 "[ . 1]" 1
682 1 171 ILE H 1 173 ASP H 5.890 . 5.890 4.622 4.313 4.889 . 0 0 "[ . 1]" 1
683 1 171 ILE QG 1 172 ALA H 5.540 . 5.540 3.745 1.883 4.155 . 0 0 "[ . 1]" 1
684 1 171 ILE MG 1 172 ALA H 4.560 . 4.560 3.501 2.180 3.855 . 0 0 "[ . 1]" 1
685 1 172 ALA H 1 173 ASP H 3.790 . 3.790 2.886 2.507 3.172 . 0 0 "[ . 1]" 1
686 1 172 ALA MB 1 173 ASP H 4.720 . 4.720 2.085 1.845 2.300 . 0 0 "[ . 1]" 1
687 1 172 ALA MB 1 174 LYS H 5.880 . 5.880 4.270 4.019 4.605 . 0 0 "[ . 1]" 1
688 1 173 ASP H 1 174 LYS H 3.660 . 3.660 2.867 2.655 3.030 . 0 0 "[ . 1]" 1
689 1 173 ASP H 1 175 PHE H 4.660 . 4.660 4.276 3.830 4.647 . 0 0 "[ . 1]" 1
690 1 173 ASP H 1 176 VAL H 5.590 . 5.590 5.017 4.673 5.414 . 0 0 "[ . 1]" 1
691 1 173 ASP H 1 176 VAL QG 4.940 . 4.940 4.356 4.025 4.922 . 0 0 "[ . 1]" 1
692 1 173 ASP H 1 181 VAL QG 6.530 . 6.530 5.802 5.336 6.797 0.267 9 0 "[ . 1]" 1
693 1 174 LYS H 1 176 VAL H 4.870 . 4.870 4.220 3.715 4.582 . 0 0 "[ . 1]" 1
694 1 174 LYS H 1 176 VAL QG 5.100 . 5.100 4.486 3.798 5.152 0.052 9 0 "[ . 1]" 1
695 1 174 LYS H 1 181 VAL QG 6.800 . 6.800 5.907 5.652 6.397 . 0 0 "[ . 1]" 1
696 1 175 PHE H 1 176 VAL H 4.240 . 4.240 2.733 2.562 2.881 . 0 0 "[ . 1]" 1
697 1 175 PHE H 1 181 VAL MG1 6.320 . 6.320 4.443 4.162 4.774 . 0 0 "[ . 1]" 1
698 1 175 PHE H 1 181 VAL MG2 6.320 . 6.320 6.448 5.891 6.753 0.433 10 0 "[ . 1]" 1
699 1 175 PHE QB 1 181 VAL QG 4.280 . 4.280 2.271 1.967 3.265 . 0 0 "[ . 1]" 1
700 1 175 PHE QD 1 181 VAL MG1 5.630 . 5.630 2.703 2.146 3.583 . 0 0 "[ . 1]" 1
701 1 175 PHE QD 1 181 VAL MG2 5.630 . 5.630 3.414 2.474 3.874 . 0 0 "[ . 1]" 1
702 1 175 PHE QE 1 181 VAL QG 4.690 . 4.690 3.719 2.147 4.682 . 0 0 "[ . 1]" 1
703 1 176 VAL H 1 178 LEU H 5.170 . 5.170 4.314 3.888 4.690 . 0 0 "[ . 1]" 1
704 1 176 VAL H 1 179 GLY H 5.950 . 5.950 4.946 4.544 6.026 0.076 7 0 "[ . 1]" 1
705 1 176 VAL H 1 180 TYR H 6.090 . 6.090 5.868 4.656 6.524 0.434 8 0 "[ . 1]" 1
706 1 176 VAL H 1 181 VAL H 6.310 . 6.310 4.600 4.056 5.813 . 0 0 "[ . 1]" 1
707 1 176 VAL H 1 181 VAL MG1 5.240 . 5.240 3.127 2.847 3.479 . 0 0 "[ . 1]" 1
708 1 176 VAL QG 1 177 GLU H 4.110 . 4.110 2.585 1.720 3.414 0.080 7 0 "[ . 1]" 1
709 1 176 VAL QG 1 179 GLY H 4.850 . 4.850 4.132 3.686 4.527 . 0 0 "[ . 1]" 1
710 1 176 VAL QG 1 181 VAL QG 3.620 . 3.620 2.210 1.906 3.422 . 0 0 "[ . 1]" 1
711 1 176 VAL QG 1 182 TRP H 5.690 . 5.690 4.909 4.229 5.682 . 0 0 "[ . 1]" 1
712 1 176 VAL QG 1 183 SER H 4.420 . 4.420 4.076 3.552 4.556 0.136 1 0 "[ . 1]" 1
713 1 176 VAL MG1 1 178 LEU H 5.750 . 5.750 5.017 3.863 5.659 . 0 0 "[ . 1]" 1
714 1 176 VAL MG1 1 180 TYR H 6.390 . 6.390 4.524 2.000 5.593 . 0 0 "[ . 1]" 1
715 1 176 VAL MG1 1 181 VAL H 5.560 . 5.560 3.691 2.405 4.694 . 0 0 "[ . 1]" 1
716 1 176 VAL MG2 1 178 LEU H 5.750 . 5.750 5.038 4.105 5.650 . 0 0 "[ . 1]" 1
717 1 176 VAL MG2 1 180 TYR H 6.390 . 6.390 4.962 3.472 6.125 . 0 0 "[ . 1]" 1
718 1 176 VAL MG2 1 181 VAL H 5.560 . 5.560 3.790 2.093 4.651 . 0 0 "[ . 1]" 1
719 1 177 GLU H 1 178 LEU H 3.980 . 3.980 2.871 2.710 2.987 . 0 0 "[ . 1]" 1
720 1 177 GLU H 1 179 GLY H 4.410 . 4.410 4.000 3.675 4.484 0.074 7 0 "[ . 1]" 1
721 1 177 GLU H 1 181 VAL H 6.250 . 6.250 5.681 5.308 6.440 0.190 5 0 "[ . 1]" 1
722 1 177 GLU H 1 181 VAL QG 5.740 . 5.740 4.816 4.362 5.017 . 0 0 "[ . 1]" 1
723 1 178 LEU H 1 178 LEU MD1 5.430 . 5.430 3.610 2.355 4.386 . 0 0 "[ . 1]" 1
724 1 178 LEU H 1 178 LEU MD2 5.430 . 5.430 3.336 2.388 4.389 . 0 0 "[ . 1]" 1
725 1 178 LEU H 1 179 GLY H 3.840 . 3.840 2.579 2.405 2.913 . 0 0 "[ . 1]" 1
726 1 178 LEU H 1 180 TYR H 5.510 . 5.510 4.955 3.674 5.911 0.401 1 0 "[ . 1]" 1
727 1 178 LEU H 1 181 VAL H 5.860 . 5.860 5.747 4.886 6.272 0.412 4 0 "[ . 1]" 1
728 1 178 LEU H 1 181 VAL QG 6.280 . 6.280 5.225 4.040 5.720 . 0 0 "[ . 1]" 1
729 1 178 LEU QD 1 180 TYR H 5.890 . 5.890 5.719 3.968 6.285 0.395 8 0 "[ . 1]" 1
730 1 178 LEU MD1 1 179 GLY H 5.570 . 5.570 4.828 4.127 5.469 . 0 0 "[ . 1]" 1
731 1 178 LEU MD2 1 179 GLY H 5.570 . 5.570 4.690 4.149 5.448 . 0 0 "[ . 1]" 1
732 1 179 GLY H 1 181 VAL H 5.040 . 5.040 4.250 3.296 4.866 . 0 0 "[ . 1]" 1
733 1 179 GLY H 1 181 VAL QG 5.840 . 5.840 4.699 3.635 5.459 . 0 0 "[ . 1]" 1
734 1 179 GLY H 1 203 LEU MD1 7.000 . 7.000 5.662 3.852 7.163 0.163 6 0 "[ . 1]" 1
735 1 179 GLY H 1 203 LEU MD2 7.000 . 7.000 5.971 4.647 7.718 0.718 2 1 "[ + . 1]" 1
736 1 180 TYR H 1 181 VAL H 3.930 . 3.930 3.133 1.549 3.999 0.251 2 0 "[ . 1]" 1
737 1 180 TYR H 1 181 VAL MG1 6.360 . 6.360 4.507 3.390 5.200 . 0 0 "[ . 1]" 1
738 1 180 TYR H 1 181 VAL MG2 6.360 . 6.360 6.075 5.225 6.658 0.298 3 0 "[ . 1]" 1
739 1 180 TYR H 1 203 LEU MD1 6.790 . 6.790 4.328 2.651 6.031 . 0 0 "[ . 1]" 1
740 1 180 TYR H 1 203 LEU MD2 6.790 . 6.790 5.005 3.329 6.455 . 0 0 "[ . 1]" 1
741 1 181 VAL H 1 181 VAL MG1 4.470 . 4.470 2.017 1.843 2.440 . 0 0 "[ . 1]" 1
742 1 181 VAL H 1 181 VAL MG2 4.470 . 4.470 3.809 3.744 3.964 . 0 0 "[ . 1]" 1
743 1 181 VAL H 1 182 TRP H 5.460 . 5.460 4.200 3.042 4.749 . 0 0 "[ . 1]" 1
744 1 181 VAL H 1 183 SER H 5.790 . 5.790 5.694 4.604 6.260 0.470 4 0 "[ . 1]" 1
745 1 181 VAL H 1 203 LEU MD1 5.940 . 5.940 4.407 3.605 5.933 . 0 0 "[ . 1]" 1
746 1 181 VAL H 1 203 LEU MD2 5.940 . 5.940 4.664 3.944 4.977 . 0 0 "[ . 1]" 1
747 1 181 VAL MG1 1 182 TRP H 4.860 . 4.860 3.691 1.698 4.284 0.102 9 0 "[ . 1]" 1
748 1 181 VAL MG1 1 183 SER H 5.140 . 5.140 4.393 3.921 4.653 . 0 0 "[ . 1]" 1
749 1 181 VAL MG2 1 182 TRP H 4.860 . 4.860 2.818 2.125 4.021 . 0 0 "[ . 1]" 1
750 1 181 VAL MG2 1 183 SER H 5.140 . 5.140 4.889 4.478 5.555 0.415 7 0 "[ . 1]" 1
751 1 182 TRP H 1 183 SER H 4.630 . 4.630 4.071 2.813 4.513 . 0 0 "[ . 1]" 1
752 1 182 TRP H 1 203 LEU MD1 5.150 . 5.150 4.615 3.217 5.307 0.157 9 0 "[ . 1]" 1
753 1 182 TRP H 1 203 LEU MD2 5.450 . 5.450 5.025 3.463 5.836 0.386 6 0 "[ . 1]" 1
754 1 182 TRP HE1 1 197 ALA H 6.400 . 6.400 6.537 6.440 6.642 0.242 1 0 "[ . 1]" 1
755 1 182 TRP HE1 1 197 ALA MB 4.890 . 4.890 3.823 3.606 4.083 . 0 0 "[ . 1]" 1
756 1 182 TRP HE1 1 198 SER H 5.670 . 5.670 4.672 4.197 5.094 . 0 0 "[ . 1]" 1
757 1 182 TRP HE1 1 199 GLN H 6.110 . 6.110 5.800 5.237 6.186 0.076 8 0 "[ . 1]" 1
758 1 182 TRP HE1 1 200 THR H 6.190 . 6.190 5.246 4.614 5.905 . 0 0 "[ . 1]" 1
759 1 182 TRP HE1 1 201 GLU H 5.550 . 5.550 4.237 3.647 4.754 . 0 0 "[ . 1]" 1
760 1 182 TRP HE1 1 202 LYS H 5.550 . 5.550 5.179 4.361 5.890 0.340 9 0 "[ . 1]" 1
761 1 182 TRP HE1 1 203 LEU H 5.200 . 5.200 4.883 3.670 5.605 0.405 8 0 "[ . 1]" 1
762 1 182 TRP HE1 1 203 LEU QD 4.750 . 4.750 4.636 3.022 5.187 0.437 9 0 "[ . 1]" 1
763 1 183 SER H 1 184 CYS H 4.760 . 4.760 4.431 4.315 4.526 . 0 0 "[ . 1]" 1
764 1 183 SER H 1 184 CYS HG 7.000 . 7.000 6.598 6.039 7.151 0.151 9 0 "[ . 1]" 1
765 1 184 CYS H 1 184 CYS QB 3.550 . 3.550 2.839 2.436 3.286 . 0 0 "[ . 1]" 1
766 1 184 CYS H 1 184 CYS HG 4.750 . 4.750 4.297 2.969 4.981 0.231 4 0 "[ . 1]" 1
767 1 184 CYS H 1 185 ALA H 5.590 . 5.590 4.220 3.958 4.437 . 0 0 "[ . 1]" 1
768 1 184 CYS HG 1 185 ALA H 4.760 . 4.760 3.529 2.092 4.543 . 0 0 "[ . 1]" 1
769 1 184 CYS HG 1 187 THR H 5.970 . 5.970 5.546 4.648 6.261 0.291 8 0 "[ . 1]" 1
770 1 184 CYS HG 1 191 LEU H 5.560 . 5.560 4.694 4.112 5.173 . 0 0 "[ . 1]" 1
771 1 184 CYS HG 1 191 LEU MD1 5.980 . 5.980 3.782 2.112 6.156 0.176 4 0 "[ . 1]" 1
772 1 184 CYS HG 1 191 LEU MD2 5.980 . 5.980 4.221 2.784 5.205 . 0 0 "[ . 1]" 1
773 1 184 CYS HG 1 192 ILE H 7.000 . 7.000 5.754 5.122 6.861 . 0 0 "[ . 1]" 1
774 1 184 CYS HG 1 194 GLY H 5.500 . 5.500 3.668 2.532 5.248 . 0 0 "[ . 1]" 1
775 1 185 ALA MB 1 187 THR H 5.150 . 5.150 3.851 3.017 4.466 . 0 0 "[ . 1]" 1
776 1 185 ALA MB 1 187 THR MG 6.130 . 6.130 3.820 2.480 4.819 . 0 0 "[ . 1]" 1
777 1 187 THR H 1 188 GLU H 4.680 . 4.680 4.411 4.379 4.468 . 0 0 "[ . 1]" 1
778 1 187 THR H 1 189 THR H 5.490 . 5.490 5.388 4.874 5.778 0.288 6 0 "[ . 1]" 1
779 1 187 THR H 1 191 LEU H 4.100 . 4.100 3.234 2.861 3.890 . 0 0 "[ . 1]" 1
780 1 187 THR H 1 191 LEU MD1 5.670 . 5.670 4.301 2.845 5.553 . 0 0 "[ . 1]" 1
781 1 187 THR H 1 191 LEU MD2 5.670 . 5.670 3.510 2.110 5.630 . 0 0 "[ . 1]" 1
782 1 187 THR MG 1 189 THR H 5.320 . 5.320 3.251 1.842 5.090 . 0 0 "[ . 1]" 1
783 1 188 GLU H 1 189 THR H 3.980 . 3.980 2.796 2.467 3.055 . 0 0 "[ . 1]" 1
784 1 188 GLU H 1 190 GLY H 5.310 . 5.310 4.062 3.638 4.289 . 0 0 "[ . 1]" 1
785 1 188 GLU H 1 191 LEU H 5.210 . 5.210 4.759 4.480 5.034 . 0 0 "[ . 1]" 1
786 1 188 GLU H 1 191 LEU QD 6.710 . 6.710 5.211 3.800 6.093 . 0 0 "[ . 1]" 1
787 1 188 GLU H 1 192 ILE MD 6.350 . 6.350 5.996 5.538 6.538 0.188 7 0 "[ . 1]" 1
788 1 189 THR H 1 190 GLY H 4.410 . 4.410 2.501 2.304 2.639 . 0 0 "[ . 1]" 1
789 1 189 THR H 1 191 LEU H 4.770 . 4.770 4.233 3.857 4.547 . 0 0 "[ . 1]" 1
790 1 189 THR H 1 191 LEU QD 6.880 . 6.880 5.788 4.741 6.504 . 0 0 "[ . 1]" 1
791 1 189 THR H 1 192 ILE H 5.350 . 5.350 5.010 4.832 5.184 . 0 0 "[ . 1]" 1
792 1 189 THR H 1 192 ILE MD 4.950 . 4.950 4.439 4.060 4.656 . 0 0 "[ . 1]" 1
793 1 189 THR H 1 193 ALA H 6.720 . 6.720 6.295 5.830 6.804 0.084 8 0 "[ . 1]" 1
794 1 190 GLY H 1 191 LEU H 4.970 . 4.970 2.710 2.348 3.024 . 0 0 "[ . 1]" 1
795 1 190 GLY H 1 191 LEU QD 6.130 . 6.130 4.961 3.968 5.829 . 0 0 "[ . 1]" 1
796 1 190 GLY H 1 192 ILE H 5.520 . 5.520 4.235 4.040 4.382 . 0 0 "[ . 1]" 1
797 1 190 GLY H 1 192 ILE MD 5.620 . 5.620 5.093 4.730 5.344 . 0 0 "[ . 1]" 1
798 1 191 LEU H 1 191 LEU MD1 5.260 . 5.260 3.979 3.361 4.287 . 0 0 "[ . 1]" 1
799 1 191 LEU H 1 191 LEU MD2 5.260 . 5.260 3.504 2.152 4.424 . 0 0 "[ . 1]" 1
800 1 191 LEU H 1 192 ILE H 3.990 . 3.990 2.745 2.655 2.799 . 0 0 "[ . 1]" 1
801 1 191 LEU H 1 192 ILE MD 5.730 . 5.730 5.113 4.978 5.235 . 0 0 "[ . 1]" 1
802 1 191 LEU H 1 193 ALA H 4.800 . 4.800 4.232 4.148 4.358 . 0 0 "[ . 1]" 1
803 1 191 LEU QD 1 192 ILE H 4.920 . 4.920 3.944 3.714 4.140 . 0 0 "[ . 1]" 1
804 1 191 LEU QD 1 193 ALA H 6.160 . 6.160 5.170 4.548 5.487 . 0 0 "[ . 1]" 1
805 1 191 LEU MD1 1 194 GLY H 5.840 . 5.840 5.030 3.626 6.149 0.309 4 0 "[ . 1]" 1
806 1 191 LEU MD2 1 194 GLY H 5.840 . 5.840 5.337 4.501 6.067 0.227 1 0 "[ . 1]" 1
807 1 192 ILE H 1 192 ILE MD 4.360 . 4.360 3.457 3.358 3.571 . 0 0 "[ . 1]" 1
808 1 192 ILE H 1 193 ALA H 4.060 . 4.060 2.685 2.576 2.802 . 0 0 "[ . 1]" 1
809 1 192 ILE H 1 193 ALA MB 5.530 . 5.530 4.342 4.245 4.484 . 0 0 "[ . 1]" 1
810 1 192 ILE MD 1 193 ALA H 4.450 . 4.450 4.274 3.865 4.525 0.075 6 0 "[ . 1]" 1
811 1 193 ALA H 1 194 GLY H 3.890 . 3.890 2.728 2.579 2.991 . 0 0 "[ . 1]" 1
812 1 193 ALA H 1 195 LEU H 5.100 . 5.100 4.207 3.976 4.520 . 0 0 "[ . 1]" 1
813 1 193 ALA MB 1 194 GLY H 4.760 . 4.760 2.478 2.197 2.680 . 0 0 "[ . 1]" 1
814 1 193 ALA MB 1 195 LEU H 5.960 . 5.960 4.532 4.175 4.896 . 0 0 "[ . 1]" 1
815 1 194 GLY H 1 195 LEU H 3.900 . 3.900 2.706 2.540 2.795 . 0 0 "[ . 1]" 1
816 1 194 GLY H 1 197 ALA H 5.660 . 5.660 4.755 4.595 5.002 . 0 0 "[ . 1]" 1
817 1 195 LEU H 1 195 LEU MD1 5.410 . 5.410 3.716 3.285 4.283 . 0 0 "[ . 1]" 1
818 1 195 LEU H 1 195 LEU MD2 5.410 . 5.410 3.444 1.910 4.098 . 0 0 "[ . 1]" 1
819 1 195 LEU H 1 197 ALA H 5.290 . 5.290 4.069 3.746 4.532 . 0 0 "[ . 1]" 1
820 1 195 LEU H 1 197 ALA MB 5.890 . 5.890 4.767 4.467 5.285 . 0 0 "[ . 1]" 1
821 1 195 LEU H 1 198 SER H 5.350 . 5.350 4.732 4.574 4.925 . 0 0 "[ . 1]" 1
822 1 195 LEU H 1 198 SER QB 6.380 . 6.380 5.096 4.664 5.731 . 0 0 "[ . 1]" 1
823 1 195 LEU H 1 199 GLN H 7.000 . 7.000 6.079 5.689 6.473 . 0 0 "[ . 1]" 1
824 1 195 LEU QD 1 196 ARG H 4.710 . 4.710 3.853 3.399 4.185 . 0 0 "[ . 1]" 1
825 1 195 LEU QD 1 197 ALA H 5.590 . 5.590 5.154 4.624 5.511 . 0 0 "[ . 1]" 1
826 1 195 LEU QD 1 198 SER H 4.960 . 4.960 4.691 4.130 5.113 0.153 2 0 "[ . 1]" 1
827 1 195 LEU QD 1 199 GLN H 5.360 . 5.360 4.680 3.663 5.572 0.212 1 0 "[ . 1]" 1
828 1 196 ARG H 1 197 ALA H 3.810 . 3.810 2.692 2.527 2.841 . 0 0 "[ . 1]" 1
829 1 196 ARG H 1 197 ALA MB 5.620 . 5.620 4.344 4.235 4.445 . 0 0 "[ . 1]" 1
830 1 196 ARG H 1 198 SER H 4.790 . 4.790 4.300 4.177 4.719 . 0 0 "[ . 1]" 1
831 1 196 ARG H 1 198 SER QB 6.430 . 6.430 5.380 4.852 6.270 . 0 0 "[ . 1]" 1
832 1 196 ARG H 1 199 GLN H 5.760 . 5.760 4.753 4.526 5.031 . 0 0 "[ . 1]" 1
833 1 197 ALA H 1 198 SER H 3.920 . 3.920 2.669 2.581 2.789 . 0 0 "[ . 1]" 1
834 1 197 ALA H 1 198 SER QB 5.320 . 5.320 4.547 4.304 4.817 . 0 0 "[ . 1]" 1
835 1 197 ALA H 1 199 GLN H 4.620 . 4.620 3.857 3.498 4.026 . 0 0 "[ . 1]" 1
836 1 197 ALA H 1 201 GLU H 6.550 . 6.550 5.938 5.366 6.524 . 0 0 "[ . 1]" 1
837 1 197 ALA MB 1 198 SER H 5.240 . 5.240 2.401 2.170 2.562 . 0 0 "[ . 1]" 1
838 1 198 SER H 1 199 GLN H 3.980 . 3.980 2.663 2.564 2.737 . 0 0 "[ . 1]" 1
839 1 198 SER H 1 201 GLU H 5.170 . 5.170 4.926 4.646 5.248 0.078 6 0 "[ . 1]" 1
840 1 198 SER QB 1 200 THR H 5.860 . 5.860 4.805 4.298 5.351 . 0 0 "[ . 1]" 1
841 1 198 SER QB 1 201 GLU H 5.170 . 5.170 5.354 5.044 5.576 0.406 7 0 "[ . 1]" 1
842 1 199 GLN H 1 200 THR H 4.820 . 4.820 2.674 2.040 2.867 . 0 0 "[ . 1]" 1
843 1 199 GLN H 1 201 GLU H 4.580 . 4.580 4.122 3.746 4.434 . 0 0 "[ . 1]" 1
844 1 200 THR H 1 201 GLU H 4.060 . 4.060 1.984 1.649 2.464 0.151 10 0 "[ . 1]" 1
845 1 201 GLU H 1 202 LYS H 4.900 . 4.900 4.404 4.280 4.552 . 0 0 "[ . 1]" 1
846 1 203 LEU H 1 203 LEU MD1 4.440 . 4.440 3.796 1.678 4.372 0.122 6 0 "[ . 1]" 1
847 1 203 LEU H 1 203 LEU MD2 4.440 . 4.440 4.105 1.850 4.567 0.127 3 0 "[ . 1]" 1
848 1 203 LEU H 1 204 LYS H 4.470 . 4.470 4.448 4.299 4.569 0.099 6 0 "[ . 1]" 1
849 1 203 LEU QD 1 208 VAL H 5.850 . 5.850 5.916 5.079 6.246 0.396 7 0 "[ . 1]" 1
850 1 203 LEU MD1 1 204 LYS H 4.700 . 4.700 3.401 2.166 4.152 . 0 0 "[ . 1]" 1
851 1 203 LEU MD2 1 204 LYS H 4.700 . 4.700 3.717 2.512 4.799 0.099 4 0 "[ . 1]" 1
852 1 208 VAL QG 1 211 ASN H 5.580 . 5.580 4.349 2.189 5.596 0.016 6 0 "[ . 1]" 1
853 1 208 VAL QG 1 211 ASN QD 4.640 . 4.640 4.462 4.222 4.832 0.192 3 0 "[ . 1]" 1
854 1 211 ASN H 1 211 ASN HD21 4.440 . 4.440 4.023 3.350 4.536 0.096 2 0 "[ . 1]" 1
855 1 211 ASN H 1 211 ASN HD22 4.440 . 4.440 4.264 3.773 4.779 0.339 8 0 "[ . 1]" 1
856 1 211 ASN QD 1 215 GLU H 5.000 . 5.000 4.113 2.740 5.310 0.310 3 0 "[ . 1]" 1
857 1 211 ASN QD 1 218 LEU QD 5.640 . 5.640 5.459 2.245 5.954 0.314 1 0 "[ . 1]" 1
858 1 214 PHE H 1 215 GLU H 4.510 . 4.510 2.748 2.590 2.791 . 0 0 "[ . 1]" 1
859 1 214 PHE QE 1 218 LEU MD1 4.590 . 4.590 3.177 2.399 4.709 0.119 4 0 "[ . 1]" 1
860 1 214 PHE QE 1 218 LEU MD2 4.590 . 4.590 3.165 2.391 4.652 0.062 4 0 "[ . 1]" 1
861 1 215 GLU H 1 216 ARG H 4.160 . 4.160 2.852 2.624 2.989 . 0 0 "[ . 1]" 1
862 1 215 GLU H 1 217 LEU QD 5.720 . 5.720 5.618 4.691 5.968 0.248 8 0 "[ . 1]" 1
863 1 216 ARG H 1 217 LEU QD 5.640 . 5.640 5.233 3.409 5.662 0.022 10 0 "[ . 1]" 1
864 1 216 ARG H 1 218 LEU H 4.400 . 4.400 4.311 3.961 4.497 0.097 5 0 "[ . 1]" 1
865 1 216 ARG H 1 218 LEU QD 6.410 . 6.410 4.976 4.373 5.964 . 0 0 "[ . 1]" 1
866 1 217 LEU H 1 217 LEU MD1 5.240 . 5.240 3.736 1.975 4.246 . 0 0 "[ . 1]" 1
867 1 217 LEU H 1 217 LEU MD2 5.240 . 5.240 4.185 3.050 4.457 . 0 0 "[ . 1]" 1
868 1 217 LEU H 1 219 VAL QG 5.590 . 5.590 4.731 4.474 5.142 . 0 0 "[ . 1]" 1
869 1 218 LEU H 1 218 LEU MD1 4.860 . 4.860 3.498 3.234 3.845 . 0 0 "[ . 1]" 1
870 1 218 LEU H 1 218 LEU MD2 4.860 . 4.860 3.199 1.882 4.351 . 0 0 "[ . 1]" 1
871 1 218 LEU H 1 219 VAL QG 4.750 . 4.750 3.957 3.773 4.349 . 0 0 "[ . 1]" 1
872 1 218 LEU H 1 220 GLU H 4.270 . 4.270 4.353 4.095 4.472 0.202 1 0 "[ . 1]" 1
873 1 219 VAL H 1 219 VAL MG1 4.560 . 4.560 3.792 3.769 3.813 . 0 0 "[ . 1]" 1
874 1 219 VAL H 1 219 VAL MG2 4.560 . 4.560 2.028 1.925 2.134 . 0 0 "[ . 1]" 1
875 1 219 VAL H 1 220 GLU H 4.280 . 4.280 2.644 2.537 2.774 . 0 0 "[ . 1]" 1
876 1 219 VAL MG1 1 220 GLU H 4.720 . 4.720 3.430 3.314 3.532 . 0 0 "[ . 1]" 1
877 1 219 VAL MG1 1 221 THR H 5.900 . 5.900 4.909 4.579 5.183 . 0 0 "[ . 1]" 1
878 1 219 VAL MG2 1 220 GLU H 4.720 . 4.720 3.707 3.637 3.890 . 0 0 "[ . 1]" 1
879 1 219 VAL MG2 1 221 THR H 5.900 . 5.900 5.138 4.873 5.371 . 0 0 "[ . 1]" 1
880 1 220 GLU H 1 221 THR H 4.850 . 4.850 2.665 2.513 2.834 . 0 0 "[ . 1]" 1
881 1 222 ILE H 1 222 ILE MD 4.410 . 4.410 3.970 3.520 4.532 0.122 9 0 "[ . 1]" 1
882 1 222 ILE H 1 222 ILE QG 4.580 . 4.580 2.679 1.875 4.077 . 0 0 "[ . 1]" 1
883 1 223 TYR H 1 224 SER H 4.420 . 4.420 4.059 2.711 4.568 0.148 7 0 "[ . 1]" 1
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