NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391666 |
1pfj   |
4901 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pfj
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 1247
_Distance_constraint_stats_list.Viol_count 3728
_Distance_constraint_stats_list.Viol_total 7647.891
_Distance_constraint_stats_list.Viol_max 0.497
_Distance_constraint_stats_list.Viol_rms 0.0528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.1080
_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 2 ALA 0.008 0.004 13 0 "[ . 1 . ]"
1 3 THR 0.231 0.162 11 0 "[ . 1 . ]"
1 4 SER 0.223 0.162 11 0 "[ . 1 . ]"
1 5 SER 0.209 0.060 7 0 "[ . 1 . ]"
1 6 GLU 3.122 0.357 19 0 "[ . 1 . ]"
1 7 GLU 5.291 0.357 19 0 "[ . 1 . ]"
1 8 VAL 1.255 0.137 6 0 "[ . 1 . ]"
1 9 LEU 5.205 0.322 5 0 "[ . 1 . ]"
1 10 LEU 6.046 0.322 5 0 "[ . 1 . ]"
1 11 ILE 4.158 0.497 10 0 "[ . 1 . ]"
1 12 VAL 5.952 0.497 10 0 "[ . 1 . ]"
1 13 LYS 11.427 0.441 4 0 "[ . 1 . ]"
1 14 LYS 9.640 0.326 5 0 "[ . 1 . ]"
1 15 VAL 14.439 0.281 8 0 "[ . 1 . ]"
1 16 ARG 13.166 0.285 9 0 "[ . 1 . ]"
1 17 GLN 8.229 0.271 18 0 "[ . 1 . ]"
1 18 LYS 0.039 0.022 15 0 "[ . 1 . ]"
1 19 LYS 16.047 0.453 5 0 "[ . 1 . ]"
1 20 GLN 13.369 0.285 9 0 "[ . 1 . ]"
1 21 ASP 5.309 0.314 6 0 "[ . 1 . ]"
1 22 GLY 0.357 0.071 2 0 "[ . 1 . ]"
1 23 ALA 13.846 0.441 4 0 "[ . 1 . ]"
1 24 LEU 13.086 0.253 4 0 "[ . 1 . ]"
1 25 TYR 6.826 0.259 7 0 "[ . 1 . ]"
1 26 LEU 2.928 0.259 7 0 "[ . 1 . ]"
1 27 MET 4.566 0.179 11 0 "[ . 1 . ]"
1 28 ALA 3.434 0.257 2 0 "[ . 1 . ]"
1 29 GLU 5.243 0.204 7 0 "[ . 1 . ]"
1 30 ARG 12.084 0.308 11 0 "[ . 1 . ]"
1 31 ILE 7.255 0.267 10 0 "[ . 1 . ]"
1 32 ALA 5.068 0.286 11 0 "[ . 1 . ]"
1 33 TRP 39.597 0.453 5 0 "[ . 1 . ]"
1 34 ALA 13.827 0.294 2 0 "[ . 1 . ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 LYS 1.237 0.266 11 0 "[ . 1 . ]"
1 39 ASP 1.087 0.258 6 0 "[ . 1 . ]"
1 40 ARG 11.693 0.401 5 0 "[ . 1 . ]"
1 41 PHE 12.249 0.401 5 0 "[ . 1 . ]"
1 42 THR 15.023 0.336 2 0 "[ . 1 . ]"
1 43 ILE 10.756 0.332 17 0 "[ . 1 . ]"
1 44 SER 2.467 0.208 8 0 "[ . 1 . ]"
1 45 HIS 9.510 0.308 11 0 "[ . 1 . ]"
1 46 MET 2.873 0.135 13 0 "[ . 1 . ]"
1 47 TYR 23.089 0.375 10 0 "[ . 1 . ]"
1 48 ALA 2.881 0.151 2 0 "[ . 1 . ]"
1 49 ASP 4.647 0.345 8 0 "[ . 1 . ]"
1 50 ILE 8.115 0.294 18 0 "[ . 1 . ]"
1 51 LYS 14.520 0.294 18 0 "[ . 1 . ]"
1 52 CYS 9.420 0.294 18 0 "[ . 1 . ]"
1 53 GLN 2.775 0.168 10 0 "[ . 1 . ]"
1 54 LYS 3.385 0.173 15 0 "[ . 1 . ]"
1 55 ILE 0.814 0.135 18 0 "[ . 1 . ]"
1 56 SER 1.527 0.168 11 0 "[ . 1 . ]"
1 57 PRO 14.457 0.486 9 0 "[ . 1 . ]"
1 58 GLU 0.785 0.111 14 0 "[ . 1 . ]"
1 59 GLY 0.934 0.111 14 0 "[ . 1 . ]"
1 60 LYS 6.572 0.362 10 0 "[ . 1 . ]"
1 61 ALA 2.408 0.210 15 0 "[ . 1 . ]"
1 62 LYS 15.844 0.439 12 0 "[ . 1 . ]"
1 63 ILE 23.690 0.486 9 0 "[ . 1 . ]"
1 64 GLN 6.911 0.351 5 0 "[ . 1 . ]"
1 65 LEU 8.118 0.199 6 0 "[ . 1 . ]"
1 66 GLN 1.697 0.108 9 0 "[ . 1 . ]"
1 67 LEU 12.616 0.306 6 0 "[ . 1 . ]"
1 68 VAL 10.089 0.294 8 0 "[ . 1 . ]"
1 69 LEU 30.300 0.389 18 0 "[ . 1 . ]"
1 70 HIS 3.087 0.197 8 0 "[ . 1 . ]"
1 71 ALA 0.177 0.037 11 0 "[ . 1 . ]"
1 72 GLY 12.653 0.389 18 0 "[ . 1 . ]"
1 73 ASP 2.278 0.148 4 0 "[ . 1 . ]"
1 74 THR 2.989 0.169 18 0 "[ . 1 . ]"
1 75 THR 3.258 0.214 11 0 "[ . 1 . ]"
1 76 ASN 0.891 0.073 4 0 "[ . 1 . ]"
1 77 PHE 25.948 0.323 5 0 "[ . 1 . ]"
1 78 HIS 28.581 0.480 7 0 "[ . 1 . ]"
1 79 PHE 26.846 0.480 7 0 "[ . 1 . ]"
1 80 SER 5.513 0.295 5 0 "[ . 1 . ]"
1 81 ASN 10.078 0.387 3 0 "[ . 1 . ]"
1 82 GLU 0.182 0.070 4 0 "[ . 1 . ]"
1 83 SER 2.453 0.397 4 0 "[ . 1 . ]"
1 84 THR 6.237 0.387 3 0 "[ . 1 . ]"
1 85 ALA 8.931 0.397 4 0 "[ . 1 . ]"
1 86 VAL 9.433 0.434 9 0 "[ . 1 . ]"
1 87 LYS 0.344 0.089 11 0 "[ . 1 . ]"
1 88 GLU 10.876 0.445 9 0 "[ . 1 . ]"
1 89 ARG 4.596 0.361 6 0 "[ . 1 . ]"
1 90 ASP 2.772 0.445 9 0 "[ . 1 . ]"
1 91 ALA 0.421 0.076 14 0 "[ . 1 . ]"
1 92 VAL 6.964 0.379 2 0 "[ . 1 . ]"
1 93 LYS 6.764 0.219 9 0 "[ . 1 . ]"
1 94 ASP 0.742 0.115 16 0 "[ . 1 . ]"
1 95 LEU 3.547 0.379 2 0 "[ . 1 . ]"
1 96 LEU 15.488 0.372 11 0 "[ . 1 . ]"
1 97 GLN 15.020 0.384 8 0 "[ . 1 . ]"
1 98 GLN 7.679 0.384 8 0 "[ . 1 . ]"
1 99 LEU 14.060 0.364 15 0 "[ . 1 . ]"
1 100 LEU 12.515 0.390 10 0 "[ . 1 . ]"
1 101 PRO 8.945 0.390 10 0 "[ . 1 . ]"
1 102 LYS 5.668 0.243 15 0 "[ . 1 . ]"
1 103 PHE 9.025 0.243 15 0 "[ . 1 . ]"
1 104 LYS 4.841 0.375 10 0 "[ . 1 . ]"
1 105 ARG 1.267 0.225 12 0 "[ . 1 . ]"
1 106 LYS 0.000 0.000 . 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 15 VAL H 1 24 LEU H 4.200 . 6.000 4.294 3.617 4.962 . 0 0 "[ . 1 . ]" 1
2 1 94 ASP H 1 96 LEU H 4.200 . 6.000 4.367 4.181 4.519 . 0 0 "[ . 1 . ]" 1
3 1 81 ASN HA 1 82 GLU H 2.700 . 3.600 2.667 2.202 3.541 . 0 0 "[ . 1 . ]" 1
4 1 13 LYS HA 1 15 VAL H 3.900 . 5.800 5.522 5.085 5.749 . 0 0 "[ . 1 . ]" 1
5 1 27 MET HB2 1 28 ALA H 4.000 . 6.000 4.030 3.857 4.323 . 0 0 "[ . 1 . ]" 1
6 1 69 LEU MD1 1 72 GLY H 3.900 . 5.800 5.864 5.445 6.180 0.380 11 0 "[ . 1 . ]" 1
7 1 53 GLN HG2 1 103 PHE QE 3.600 . 5.200 4.368 3.424 5.231 0.031 19 0 "[ . 1 . ]" 1
8 1 99 LEU MD2 1 103 PHE QE 2.400 . 5.100 3.808 3.287 4.199 . 0 0 "[ . 1 . ]" 1
9 1 53 GLN HG3 1 103 PHE QE 3.600 . 5.200 4.292 2.997 5.321 0.121 7 0 "[ . 1 . ]" 1
10 1 99 LEU HB2 1 103 PHE QE 3.300 . 4.700 2.330 1.903 2.881 . 0 0 "[ . 1 . ]" 1
11 1 15 VAL MG2 1 79 PHE QD 3.200 . 4.500 2.006 1.777 2.504 0.123 2 0 "[ . 1 . ]" 1
12 1 94 ASP HA 1 98 GLN H 5.600 . 6.000 5.195 4.646 5.638 . 0 0 "[ . 1 . ]" 1
13 1 24 LEU HA 1 25 TYR QD 3.100 . 4.300 3.927 3.695 4.126 . 0 0 "[ . 1 . ]" 1
14 1 93 LYS HA 1 97 GLN HE22 3.400 . 4.900 4.121 3.736 5.051 0.151 4 0 "[ . 1 . ]" 1
15 1 32 ALA MB 1 41 PHE QD 3.000 . 4.100 2.321 1.880 2.834 0.020 12 0 "[ . 1 . ]" 1
16 1 47 TYR QD 1 103 PHE QE 2.700 . 3.600 1.999 1.798 2.783 0.002 10 0 "[ . 1 . ]" 1
17 1 24 LEU MD2 1 77 PHE QD 3.300 . 4.700 2.739 2.450 2.924 . 0 0 "[ . 1 . ]" 1
18 1 29 GLU HA 1 30 ARG H 2.600 . 3.400 3.433 3.176 3.599 0.199 6 0 "[ . 1 . ]" 1
19 1 72 GLY HA2 1 73 ASP H 3.300 . 4.700 2.590 2.545 2.656 . 0 0 "[ . 1 . ]" 1
20 1 84 THR HA 1 85 ALA H 3.100 . 4.300 3.163 2.874 3.578 . 0 0 "[ . 1 . ]" 1
21 1 63 ILE HA 1 64 GLN H 2.300 . 2.900 2.208 1.984 2.531 . 0 0 "[ . 1 . ]" 1
22 1 78 HIS HA 1 79 PHE H 2.400 . 3.100 2.295 2.144 2.499 . 0 0 "[ . 1 . ]" 1
23 1 21 ASP H 1 22 GLY H 4.400 . 6.000 4.308 4.271 4.363 . 0 0 "[ . 1 . ]" 1
24 1 20 GLN HA 1 21 ASP H 2.200 . 2.800 2.467 2.441 2.496 . 0 0 "[ . 1 . ]" 1
25 1 73 ASP HB3 1 74 THR H 3.400 . 4.800 3.411 3.088 4.337 . 0 0 "[ . 1 . ]" 1
26 1 74 THR HA 1 75 THR H 2.300 . 3.000 2.393 2.275 2.470 . 0 0 "[ . 1 . ]" 1
27 1 74 THR HB 1 75 THR H 3.400 . 4.800 3.278 3.060 3.521 . 0 0 "[ . 1 . ]" 1
28 1 41 PHE HB2 1 43 ILE H 3.900 . 5.800 4.584 2.209 5.803 0.003 19 0 "[ . 1 . ]" 1
29 1 22 GLY HA3 1 33 TRP HE1 3.900 . 5.800 2.158 1.929 2.345 0.071 2 0 "[ . 1 . ]" 1
30 1 16 ARG H 1 80 SER H 4.000 . 6.000 4.259 3.536 5.030 . 0 0 "[ . 1 . ]" 1
31 1 92 VAL H 1 94 ASP H 4.100 . 6.000 3.944 3.540 4.456 . 0 0 "[ . 1 . ]" 1
32 1 103 PHE HA 1 104 LYS H 3.000 . 4.100 3.292 3.240 3.334 . 0 0 "[ . 1 . ]" 1
33 1 14 LYS HA 1 15 VAL H 2.500 . 3.300 2.157 2.047 2.254 . 0 0 "[ . 1 . ]" 1
34 1 25 TYR H 1 33 TRP HA 3.200 . 3.950 2.947 2.646 3.346 . 0 0 "[ . 1 . ]" 1
35 1 22 GLY HA2 1 23 ALA H 3.500 . 5.000 2.447 2.322 2.553 . 0 0 "[ . 1 . ]" 1
36 1 70 HIS HA 1 71 ALA H 3.400 . 4.800 3.430 3.391 3.449 . 0 0 "[ . 1 . ]" 1
37 1 69 LEU HB2 1 70 HIS H 3.000 . 4.100 4.014 3.964 4.098 . 0 0 "[ . 1 . ]" 1
38 1 104 LYS H 1 105 ARG H 3.900 . 5.800 3.749 2.191 4.548 . 0 0 "[ . 1 . ]" 1
39 1 15 VAL H 1 16 ARG HE 4.400 . 6.000 6.062 5.688 6.281 0.281 8 0 "[ . 1 . ]" 1
40 1 15 VAL MG2 1 16 ARG H 3.100 . 4.300 3.508 3.268 3.863 . 0 0 "[ . 1 . ]" 1
41 1 15 VAL HA 1 16 ARG H 2.300 . 3.000 2.249 2.171 2.543 . 0 0 "[ . 1 . ]" 1
42 1 49 ASP HA 1 50 ILE H 3.400 . 4.900 3.321 3.238 3.500 . 0 0 "[ . 1 . ]" 1
43 1 49 ASP HB3 1 50 ILE H 3.900 . 5.800 4.072 3.455 4.258 . 0 0 "[ . 1 . ]" 1
44 1 69 LEU MD1 1 70 HIS H 4.000 . 6.000 4.015 3.260 4.498 . 0 0 "[ . 1 . ]" 1
45 1 69 LEU MD2 1 70 HIS H 4.700 . 6.000 4.081 3.943 4.346 . 0 0 "[ . 1 . ]" 1
46 1 69 LEU HA 1 70 HIS H 2.400 . 3.100 2.335 2.302 2.357 . 0 0 "[ . 1 . ]" 1
47 1 47 TYR HA 1 50 ILE H 3.300 . 5.100 3.525 3.321 3.709 . 0 0 "[ . 1 . ]" 1
48 1 67 LEU MD1 1 68 VAL H 3.600 . 5.200 3.696 2.779 4.584 . 0 0 "[ . 1 . ]" 1
49 1 52 CYS H 1 68 VAL HB 3.200 . 4.500 4.700 4.576 4.794 0.294 8 0 "[ . 1 . ]" 1
50 1 52 CYS HB3 1 53 GLN H 3.900 . 5.800 3.595 3.284 3.982 . 0 0 "[ . 1 . ]" 1
51 1 68 VAL HB 1 69 LEU H 4.200 . 6.000 3.327 3.252 3.402 . 0 0 "[ . 1 . ]" 1
52 1 69 LEU HB3 1 72 GLY H 3.600 2.400 4.800 5.079 4.881 5.189 0.389 18 0 "[ . 1 . ]" 1
53 1 71 ALA MB 1 72 GLY H 3.100 . 4.300 1.948 1.896 1.998 0.004 15 0 "[ . 1 . ]" 1
54 1 50 ILE MG 1 51 LYS H 3.000 . 4.200 3.808 2.401 4.319 0.119 8 0 "[ . 1 . ]" 1
55 1 50 ILE HA 1 51 LYS H 3.400 2.600 4.200 2.410 2.366 2.531 0.234 5 0 "[ . 1 . ]" 1
56 1 48 ALA HA 1 49 ASP H 3.400 . 4.800 3.458 3.372 3.515 . 0 0 "[ . 1 . ]" 1
57 1 48 ALA MB 1 49 ASP H 3.000 . 4.100 2.477 2.333 2.691 . 0 0 "[ . 1 . ]" 1
58 1 24 LEU MD2 1 78 HIS H 6.000 . 6.000 6.117 6.014 6.177 0.177 5 0 "[ . 1 . ]" 1
59 1 24 LEU HB3 1 78 HIS H 6.200 2.800 7.000 7.108 7.038 7.167 0.167 2 0 "[ . 1 . ]" 1
60 1 14 LYS HB3 1 15 VAL H 4.100 . 6.000 3.843 3.081 4.209 . 0 0 "[ . 1 . ]" 1
61 1 54 LYS HB3 1 67 LEU H 3.700 . 5.400 5.487 5.432 5.573 0.173 15 0 "[ . 1 . ]" 1
62 1 23 ALA MB 1 24 LEU H 3.200 . 4.500 2.895 2.410 3.093 . 0 0 "[ . 1 . ]" 1
63 1 15 VAL H 1 23 ALA HA 3.100 . 4.300 3.098 2.433 3.423 . 0 0 "[ . 1 . ]" 1
64 1 25 TYR H 1 34 ALA H 5.200 . 6.000 4.421 4.184 4.937 . 0 0 "[ . 1 . ]" 1
65 1 84 THR HB 1 85 ALA H 4.200 . 6.000 4.197 2.953 4.679 . 0 0 "[ . 1 . ]" 1
66 1 84 THR MG 1 85 ALA H 3.800 . 5.600 3.703 2.221 4.373 . 0 0 "[ . 1 . ]" 1
67 1 96 LEU HG 1 97 GLN H 3.500 . 5.000 4.040 3.725 4.279 . 0 0 "[ . 1 . ]" 1
68 1 96 LEU MD1 1 97 GLN H 4.000 . 6.000 4.228 4.037 4.428 . 0 0 "[ . 1 . ]" 1
69 1 16 ARG HA 1 17 GLN H 2.300 . 2.900 2.179 2.130 2.246 . 0 0 "[ . 1 . ]" 1
70 1 23 ALA HA 1 24 LEU H 2.200 . 2.800 2.016 1.945 2.142 . 0 0 "[ . 1 . ]" 1
71 1 96 LEU H 1 97 GLN H 2.700 . 3.600 3.235 3.110 3.327 . 0 0 "[ . 1 . ]" 1
72 1 97 GLN H 1 98 GLN H 2.600 . 3.400 2.755 2.623 2.888 . 0 0 "[ . 1 . ]" 1
73 1 95 LEU HA 1 96 LEU H 3.200 . 4.500 3.561 3.527 3.622 . 0 0 "[ . 1 . ]" 1
74 1 95 LEU HG 1 96 LEU H 3.700 . 5.400 4.108 3.334 5.113 . 0 0 "[ . 1 . ]" 1
75 1 94 ASP HA 1 95 LEU H 3.300 . 4.600 3.507 3.401 3.588 . 0 0 "[ . 1 . ]" 1
76 1 94 ASP HB3 1 95 LEU H 3.300 . 4.600 2.938 1.988 3.403 0.012 15 0 "[ . 1 . ]" 1
77 1 94 ASP HB2 1 95 LEU H 3.300 . 4.700 3.785 2.328 4.261 . 0 0 "[ . 1 . ]" 1
78 1 16 ARG HG3 1 21 ASP H 4.600 . 6.000 5.826 5.307 6.099 0.099 4 0 "[ . 1 . ]" 1
79 1 97 GLN HA 1 98 GLN H 3.200 . 4.500 3.286 3.246 3.335 . 0 0 "[ . 1 . ]" 1
80 1 7 GLU H 1 28 ALA MB 2.800 . 3.800 3.925 3.809 4.057 0.257 2 0 "[ . 1 . ]" 1
81 1 92 VAL HA 1 93 LYS H 3.400 . 4.800 3.564 3.501 3.607 . 0 0 "[ . 1 . ]" 1
82 1 29 GLU HG3 1 30 ARG H 4.300 . 6.000 4.501 4.428 4.546 . 0 0 "[ . 1 . ]" 1
83 1 31 ILE HB 1 47 TYR QD 2.800 . 3.800 3.964 3.817 4.067 0.267 10 0 "[ . 1 . ]" 1
84 1 29 GLU HB3 1 47 TYR QD 4.200 . 6.000 5.986 5.527 6.173 0.173 8 0 "[ . 1 . ]" 1
85 1 28 ALA H 1 30 ARG H 4.700 . 6.000 4.155 4.039 4.331 . 0 0 "[ . 1 . ]" 1
86 1 27 MET HG3 1 28 ALA H 2.100 . 2.600 2.090 1.767 2.660 0.060 17 0 "[ . 1 . ]" 1
87 1 28 ALA MB 1 29 GLU H 2.600 . 3.400 2.356 2.239 2.521 . 0 0 "[ . 1 . ]" 1
88 1 47 TYR QD 1 99 LEU MD1 2.400 . 3.100 3.314 3.153 3.464 0.364 15 0 "[ . 1 . ]" 1
89 1 30 ARG HB2 1 31 ILE H 1.900 . 2.400 2.482 2.267 2.566 0.166 7 0 "[ . 1 . ]" 1
90 1 30 ARG HA 1 31 ILE H 2.600 . 3.500 2.337 2.297 2.381 . 0 0 "[ . 1 . ]" 1
91 1 23 ALA H 1 24 LEU HG 5.100 . 6.000 6.105 6.055 6.163 0.163 4 0 "[ . 1 . ]" 1
92 1 46 MET HA 1 47 TYR H 2.200 . 2.800 2.152 2.106 2.202 . 0 0 "[ . 1 . ]" 1
93 1 13 LYS HB2 1 14 LYS H 3.000 . 4.100 3.704 2.388 4.280 0.180 18 0 "[ . 1 . ]" 1
94 1 13 LYS HD3 1 14 LYS H 3.400 . 4.900 3.536 1.886 4.947 0.047 5 0 "[ . 1 . ]" 1
95 1 13 LYS HG2 1 14 LYS H 4.100 . 6.000 3.324 2.190 5.323 . 0 0 "[ . 1 . ]" 1
96 1 25 TYR HA 1 26 LEU H 2.300 . 2.900 2.374 2.309 2.427 . 0 0 "[ . 1 . ]" 1
97 1 11 ILE HG12 1 25 TYR H 4.000 . 6.000 5.017 4.295 6.131 0.131 10 0 "[ . 1 . ]" 1
98 1 25 TYR H 1 31 ILE MD 4.700 . 6.000 4.591 3.726 5.987 . 0 0 "[ . 1 . ]" 1
99 1 8 VAL MG2 1 26 LEU H 3.800 2.400 5.200 4.364 3.257 5.030 . 0 0 "[ . 1 . ]" 1
100 1 65 LEU HB3 1 66 GLN H 3.600 . 5.200 3.769 3.604 3.924 . 0 0 "[ . 1 . ]" 1
101 1 98 GLN HB2 1 99 LEU H 3.400 . 4.800 3.645 3.265 3.874 . 0 0 "[ . 1 . ]" 1
102 1 93 LYS HG2 1 97 GLN HE22 3.700 . 5.400 2.911 1.921 5.413 0.079 17 0 "[ . 1 . ]" 1
103 1 12 VAL MG1 1 93 LYS H 4.400 . 6.000 5.682 4.795 6.183 0.183 16 0 "[ . 1 . ]" 1
104 1 11 ILE HA 1 12 VAL H 2.200 . 2.800 2.216 2.136 2.260 . 0 0 "[ . 1 . ]" 1
105 1 10 LEU H 1 11 ILE H 4.100 . 6.000 4.321 4.192 4.416 . 0 0 "[ . 1 . ]" 1
106 1 26 LEU MD1 1 27 MET H 3.900 . 5.800 3.646 2.010 4.440 . 0 0 "[ . 1 . ]" 1
107 1 45 HIS HB2 1 46 MET H 4.700 . 6.000 3.729 3.518 3.994 . 0 0 "[ . 1 . ]" 1
108 1 31 ILE HA 1 32 ALA H 2.300 . 2.900 2.239 2.192 2.355 . 0 0 "[ . 1 . ]" 1
109 1 31 ILE MG 1 32 ALA H 3.300 . 4.700 2.717 2.265 3.060 . 0 0 "[ . 1 . ]" 1
110 1 2 ALA MB 1 3 THR H 4.100 . 6.000 2.643 1.996 3.714 0.004 13 0 "[ . 1 . ]" 1
111 1 42 THR HA 1 43 ILE H 3.500 . 5.000 3.458 3.267 3.543 . 0 0 "[ . 1 . ]" 1
112 1 42 THR MG 1 43 ILE H 3.100 . 4.300 2.347 1.797 3.149 0.103 19 0 "[ . 1 . ]" 1
113 1 41 PHE HB2 1 42 THR H 4.100 . 6.000 3.854 1.989 4.557 0.011 9 0 "[ . 1 . ]" 1
114 1 7 GLU HB2 1 8 VAL H 3.500 . 5.000 4.196 3.400 4.432 . 0 0 "[ . 1 . ]" 1
115 1 50 ILE HA 1 70 HIS H 3.400 . 4.800 2.295 1.935 2.908 0.065 18 0 "[ . 1 . ]" 1
116 1 70 HIS HB3 1 71 ALA H 4.800 . 6.000 3.843 3.397 4.055 . 0 0 "[ . 1 . ]" 1
117 1 85 ALA H 1 86 VAL H 2.900 2.200 3.600 3.488 2.922 3.953 0.353 8 0 "[ . 1 . ]" 1
118 1 85 ALA MB 1 86 VAL H 2.800 . 3.800 3.655 3.570 3.746 . 0 0 "[ . 1 . ]" 1
119 1 86 VAL H 1 87 LYS H 3.300 2.300 4.300 3.834 2.485 4.210 . 0 0 "[ . 1 . ]" 1
120 1 90 ASP H 1 91 ALA H 2.600 . 3.500 2.836 2.551 3.110 . 0 0 "[ . 1 . ]" 1
121 1 16 ARG HB2 1 17 GLN H 4.000 . 6.000 4.100 3.722 4.367 . 0 0 "[ . 1 . ]" 1
122 1 33 TRP H 1 34 ALA H 4.600 . 6.000 4.375 4.315 4.480 . 0 0 "[ . 1 . ]" 1
123 1 31 ILE HG12 1 32 ALA H 4.300 . 6.000 4.179 3.345 4.627 . 0 0 "[ . 1 . ]" 1
124 1 31 ILE HB 1 32 ALA H 3.800 . 5.600 4.430 4.276 4.533 . 0 0 "[ . 1 . ]" 1
125 1 30 ARG H 1 31 ILE H 3.900 . 5.800 4.378 4.346 4.407 . 0 0 "[ . 1 . ]" 1
126 1 53 GLN HA 1 54 LYS H 2.600 . 3.500 2.067 2.010 2.164 . 0 0 "[ . 1 . ]" 1
127 1 53 GLN HG2 1 54 LYS H 4.500 . 6.000 4.610 3.771 5.453 . 0 0 "[ . 1 . ]" 1
128 1 11 ILE H 1 12 VAL H 4.400 . 6.000 4.318 4.237 4.378 . 0 0 "[ . 1 . ]" 1
129 1 33 TRP HA 1 34 ALA H 2.300 . 2.900 2.202 2.148 2.238 . 0 0 "[ . 1 . ]" 1
130 1 21 ASP HA 1 22 GLY H 2.100 . 2.600 2.188 2.145 2.236 . 0 0 "[ . 1 . ]" 1
131 1 54 LYS H 1 67 LEU MD1 4.300 . 6.000 4.974 4.284 5.493 . 0 0 "[ . 1 . ]" 1
132 1 6 GLU H 1 7 GLU H 4.300 . 6.000 4.593 4.452 4.640 . 0 0 "[ . 1 . ]" 1
133 1 91 ALA HA 1 92 VAL H 3.400 . 4.900 3.555 3.487 3.600 . 0 0 "[ . 1 . ]" 1
134 1 87 LYS H 1 88 GLU H 2.600 . 3.500 3.085 2.758 3.398 . 0 0 "[ . 1 . ]" 1
135 1 88 GLU HA 1 89 ARG H 3.400 . 4.900 3.518 3.455 3.593 . 0 0 "[ . 1 . ]" 1
136 1 26 LEU H 1 27 MET H 4.400 . 6.000 4.371 4.332 4.415 . 0 0 "[ . 1 . ]" 1
137 1 18 LYS HA 1 19 LYS H 3.100 . 4.300 3.512 3.504 3.520 . 0 0 "[ . 1 . ]" 1
138 1 66 GLN HA 1 67 LEU H 2.500 . 3.300 2.156 2.130 2.178 . 0 0 "[ . 1 . ]" 1
139 1 24 LEU H 1 77 PHE HZ 4.700 . 6.000 5.798 5.652 6.070 0.070 7 0 "[ . 1 . ]" 1
140 1 79 PHE HA 1 80 SER H 2.600 . 3.500 2.440 2.182 2.575 . 0 0 "[ . 1 . ]" 1
141 1 66 GLN H 1 74 THR MG 4.000 . 6.000 5.919 5.477 6.080 0.080 16 0 "[ . 1 . ]" 1
142 1 11 ILE MG 1 12 VAL H 3.400 . 4.800 4.081 3.852 4.251 . 0 0 "[ . 1 . ]" 1
143 1 11 ILE MG 1 13 LYS H 4.400 . 6.000 4.673 4.069 5.524 . 0 0 "[ . 1 . ]" 1
144 1 81 ASN HD22 1 84 THR HB 4.000 . 6.000 5.145 3.657 6.171 0.171 12 0 "[ . 1 . ]" 1
145 1 81 ASN HD22 1 84 THR MG 3.200 . 4.400 3.867 2.842 4.456 0.056 16 0 "[ . 1 . ]" 1
146 1 12 VAL MG1 1 13 LYS H 4.200 . 6.000 3.709 2.699 4.205 . 0 0 "[ . 1 . ]" 1
147 1 11 ILE HB 1 13 LYS H 5.200 2.700 6.700 6.318 5.856 6.898 0.198 4 0 "[ . 1 . ]" 1
148 1 13 LYS HA 1 14 LYS H 2.500 . 3.300 3.430 3.335 3.594 0.294 4 0 "[ . 1 . ]" 1
149 1 17 GLN H 1 20 GLN HG2 4.600 . 6.000 5.983 5.187 6.225 0.225 19 0 "[ . 1 . ]" 1
150 1 17 GLN H 1 20 GLN HB2 4.700 . 6.000 5.527 4.883 6.105 0.105 10 0 "[ . 1 . ]" 1
151 1 27 MET H 1 30 ARG H 3.200 . 4.050 3.315 3.131 3.506 . 0 0 "[ . 1 . ]" 1
152 1 5 SER HB3 1 6 GLU H 3.400 . 4.800 2.515 1.980 3.607 0.020 13 0 "[ . 1 . ]" 1
153 1 7 GLU HA 1 8 VAL H 2.200 . 2.800 2.330 2.267 2.558 . 0 0 "[ . 1 . ]" 1
154 1 10 LEU HG 1 11 ILE H 2.500 . 3.300 2.089 1.852 2.758 . 0 0 "[ . 1 . ]" 1
155 1 12 VAL H 1 24 LEU MD1 4.900 . 6.000 5.234 4.698 5.667 . 0 0 "[ . 1 . ]" 1
156 1 49 ASP H 1 50 ILE H 2.500 . 3.300 2.636 2.572 2.771 . 0 0 "[ . 1 . ]" 1
157 1 71 ALA H 1 72 GLY H 3.100 . 4.300 4.287 4.150 4.337 0.037 11 0 "[ . 1 . ]" 1
158 1 83 SER H 1 85 ALA H 4.500 . 6.000 4.186 3.174 5.140 . 0 0 "[ . 1 . ]" 1
159 1 24 LEU HA 1 25 TYR H 2.200 . 2.800 2.175 2.128 2.218 . 0 0 "[ . 1 . ]" 1
160 1 41 PHE HA 1 42 THR H 2.400 . 3.100 2.320 2.109 2.754 . 0 0 "[ . 1 . ]" 1
161 1 15 VAL HB 1 33 TRP HE1 2.700 . 3.600 3.298 2.967 3.553 . 0 0 "[ . 1 . ]" 1
162 1 15 VAL HA 1 80 SER H 3.200 . 4.500 4.023 3.104 4.616 0.116 13 0 "[ . 1 . ]" 1
163 1 16 ARG HA 1 33 TRP HE1 4.200 . 6.000 5.373 5.010 5.515 . 0 0 "[ . 1 . ]" 1
164 1 51 LYS H 1 69 LEU MD1 4.900 . 6.000 4.821 3.913 5.292 . 0 0 "[ . 1 . ]" 1
165 1 51 LYS H 1 69 LEU HA 3.000 . 4.100 2.425 1.888 2.613 0.012 8 0 "[ . 1 . ]" 1
166 1 69 LEU H 1 73 ASP H 3.400 . 4.800 2.995 2.708 3.127 . 0 0 "[ . 1 . ]" 1
167 1 69 LEU H 1 70 HIS H 4.900 . 6.000 4.596 4.557 4.618 . 0 0 "[ . 1 . ]" 1
168 1 66 GLN HG3 1 67 LEU H 3.800 . 5.600 3.879 3.525 4.186 . 0 0 "[ . 1 . ]" 1
169 1 66 GLN HG2 1 67 LEU H 4.200 . 6.000 3.129 2.507 4.230 . 0 0 "[ . 1 . ]" 1
170 1 67 LEU H 1 76 ASN HA 3.800 . 3.950 3.522 3.277 3.811 . 0 0 "[ . 1 . ]" 1
171 1 51 LYS H 1 70 HIS HA 4.400 . 6.000 3.454 3.277 3.635 . 0 0 "[ . 1 . ]" 1
172 1 69 LEU MD1 1 73 ASP H 5.000 . 6.000 4.557 4.311 4.899 . 0 0 "[ . 1 . ]" 1
173 1 86 VAL HB 1 88 GLU H 3.500 . 5.000 4.000 2.737 5.025 0.025 11 0 "[ . 1 . ]" 1
174 1 75 THR HA 1 76 ASN H 2.400 . 3.100 2.263 2.229 2.289 . 0 0 "[ . 1 . ]" 1
175 1 78 HIS HD2 1 79 PHE H 3.000 . 4.100 3.516 2.745 4.197 0.097 1 0 "[ . 1 . ]" 1
176 1 45 HIS HA 1 46 MET H 2.600 . 3.400 2.158 2.086 2.239 . 0 0 "[ . 1 . ]" 1
177 1 65 LEU HA 1 66 GLN H 2.300 . 3.000 2.458 2.393 2.520 . 0 0 "[ . 1 . ]" 1
178 1 77 PHE HA 1 78 HIS H 2.400 . 3.100 2.174 2.109 2.267 . 0 0 "[ . 1 . ]" 1
179 1 8 VAL HA 1 10 LEU H 4.200 . 6.000 4.606 4.370 4.880 . 0 0 "[ . 1 . ]" 1
180 1 90 ASP HA 1 93 LYS H 3.400 2.200 4.600 3.725 3.420 4.078 . 0 0 "[ . 1 . ]" 1
181 1 26 LEU HA 1 27 MET H 2.300 . 2.900 2.229 2.185 2.292 . 0 0 "[ . 1 . ]" 1
182 1 20 GLN H 1 21 ASP H 4.000 . 6.000 4.385 4.362 4.409 . 0 0 "[ . 1 . ]" 1
183 1 6 GLU HA 1 7 GLU H 2.200 . 2.800 2.388 2.293 2.484 . 0 0 "[ . 1 . ]" 1
184 1 5 SER HA 1 6 GLU H 3.000 . 4.100 3.085 2.404 3.593 . 0 0 "[ . 1 . ]" 1
185 1 34 ALA HA 1 43 ILE H 4.800 . 6.000 4.135 3.779 4.331 . 0 0 "[ . 1 . ]" 1
186 1 14 LYS H 1 23 ALA HA 3.100 . 4.300 4.042 3.594 4.582 0.282 7 0 "[ . 1 . ]" 1
187 1 12 VAL H 1 13 LYS H 4.200 . 6.000 4.093 3.865 4.407 . 0 0 "[ . 1 . ]" 1
188 1 33 TRP HB2 1 34 ALA H 4.400 . 6.000 4.096 3.982 4.217 . 0 0 "[ . 1 . ]" 1
189 1 33 TRP HB3 1 34 ALA H 3.300 . 4.700 3.873 3.745 4.038 . 0 0 "[ . 1 . ]" 1
190 1 77 PHE HB3 1 78 HIS H 4.800 . 6.000 3.108 2.731 3.254 . 0 0 "[ . 1 . ]" 1
191 1 25 TYR H 1 32 ALA MB 4.200 . 6.000 3.308 3.105 3.531 . 0 0 "[ . 1 . ]" 1
192 1 17 GLN HB2 1 18 LYS H 3.500 . 5.000 3.266 2.908 3.422 . 0 0 "[ . 1 . ]" 1
193 1 25 TYR HB3 1 26 LEU H 3.800 . 5.600 3.325 3.185 3.551 . 0 0 "[ . 1 . ]" 1
194 1 61 ALA HA 1 63 ILE H 5.200 2.500 6.500 5.690 5.182 6.601 0.101 5 0 "[ . 1 . ]" 1
195 1 53 GLN HB2 1 54 LYS H 4.700 . 6.000 4.268 3.956 4.450 . 0 0 "[ . 1 . ]" 1
196 1 18 LYS HB3 1 19 LYS H 3.000 . 4.100 3.465 3.173 3.866 . 0 0 "[ . 1 . ]" 1
197 1 18 LYS HB2 1 19 LYS H 2.800 . 3.800 3.445 3.126 3.736 . 0 0 "[ . 1 . ]" 1
198 1 100 LEU H 1 101 PRO HD2 2.700 . 3.600 2.208 2.038 2.295 . 0 0 "[ . 1 . ]" 1
199 1 96 LEU HA 1 100 LEU H 3.400 . 4.900 4.193 3.845 4.464 . 0 0 "[ . 1 . ]" 1
200 1 91 ALA HA 1 94 ASP H 3.400 2.200 4.600 3.106 2.813 3.352 . 0 0 "[ . 1 . ]" 1
201 1 7 GLU HG2 1 8 VAL H 3.500 . 5.100 4.807 4.479 4.987 . 0 0 "[ . 1 . ]" 1
202 1 88 GLU HG3 1 89 ARG H 2.600 . 3.400 2.597 2.237 3.715 0.315 9 0 "[ . 1 . ]" 1
203 1 88 GLU HG2 1 89 ARG H 3.800 . 5.600 2.325 1.883 4.079 0.117 19 0 "[ . 1 . ]" 1
204 1 96 LEU HA 1 99 LEU H 3.500 . 5.100 3.566 3.442 3.627 . 0 0 "[ . 1 . ]" 1
205 1 43 ILE MG 1 44 SER H 4.500 . 6.000 3.097 2.245 4.101 . 0 0 "[ . 1 . ]" 1
206 1 40 ARG HG2 1 41 PHE H 4.200 . 6.000 4.091 2.992 5.662 . 0 0 "[ . 1 . ]" 1
207 1 41 PHE HB3 1 43 ILE H 3.700 . 5.400 3.682 2.537 4.231 . 0 0 "[ . 1 . ]" 1
208 1 22 GLY HA3 1 23 ALA H 2.400 . 3.100 2.822 2.747 2.895 . 0 0 "[ . 1 . ]" 1
209 1 19 LYS HB2 1 20 GLN H 4.100 . 6.000 3.566 3.262 3.779 . 0 0 "[ . 1 . ]" 1
210 1 86 VAL MG2 1 87 LYS H 3.100 . 4.300 2.879 1.935 3.603 . 0 0 "[ . 1 . ]" 1
211 1 57 PRO HG3 1 65 LEU H 3.700 . 5.400 4.241 3.878 4.717 . 0 0 "[ . 1 . ]" 1
212 1 79 PHE QE 1 93 LYS HB2 3.000 . 4.100 4.032 3.528 4.225 0.125 17 0 "[ . 1 . ]" 1
213 1 47 TYR QD 1 103 PHE HB2 4.400 . 6.000 5.824 5.627 6.090 0.090 6 0 "[ . 1 . ]" 1
214 1 43 ILE MD 1 77 PHE QD 3.300 . 4.700 4.741 4.187 4.938 0.238 7 0 "[ . 1 . ]" 1
215 1 31 ILE HB 1 77 PHE QE 4.800 . 6.000 6.096 6.030 6.181 0.181 10 0 "[ . 1 . ]" 1
216 1 59 GLY H 1 60 LYS H 4.100 . 6.000 2.271 1.944 2.692 0.056 4 0 "[ . 1 . ]" 1
217 1 25 TYR QD 1 26 LEU H 2.700 . 3.600 3.725 3.628 3.859 0.259 7 0 "[ . 1 . ]" 1
218 1 12 VAL H 1 25 TYR QD 4.000 . 6.000 4.716 4.383 4.993 . 0 0 "[ . 1 . ]" 1
219 1 11 ILE HA 1 26 LEU H 2.900 . 3.900 2.544 2.117 3.337 . 0 0 "[ . 1 . ]" 1
220 1 9 LEU H 1 28 ALA H 4.500 . 6.000 2.883 2.469 3.620 . 0 0 "[ . 1 . ]" 1
221 1 8 VAL H 1 9 LEU H 4.800 . 6.000 4.516 4.468 4.548 . 0 0 "[ . 1 . ]" 1
222 1 9 LEU H 1 26 LEU H 4.400 . 6.000 5.025 4.296 5.344 . 0 0 "[ . 1 . ]" 1
223 1 44 SER H 1 45 HIS H 4.600 . 6.000 3.739 3.575 4.061 . 0 0 "[ . 1 . ]" 1
224 1 10 LEU HA 1 26 LEU H 4.500 . 6.000 4.746 4.537 4.892 . 0 0 "[ . 1 . ]" 1
225 1 68 VAL HA 1 74 THR HA . . 2.600 1.884 1.831 1.939 0.169 18 0 "[ . 1 . ]" 1
226 1 66 GLN HA 1 76 ASN HA . . 2.600 2.327 2.134 2.539 . 0 0 "[ . 1 . ]" 1
227 1 15 VAL H 1 16 ARG H 4.500 . 6.000 4.300 4.227 4.507 . 0 0 "[ . 1 . ]" 1
228 1 3 THR H 1 4 SER H 3.700 . 5.400 3.424 1.964 4.619 0.036 13 0 "[ . 1 . ]" 1
229 1 10 LEU H 1 27 MET HA 4.600 . 6.000 3.793 3.449 4.214 . 0 0 "[ . 1 . ]" 1
230 1 12 VAL HA 1 13 LYS H 2.100 . 2.700 2.174 2.039 2.236 . 0 0 "[ . 1 . ]" 1
231 1 16 ARG H 1 22 GLY H 4.700 . 6.000 4.469 4.340 4.741 . 0 0 "[ . 1 . ]" 1
232 1 15 VAL MG1 1 16 ARG H 3.500 . 5.000 2.107 1.832 2.227 0.168 9 0 "[ . 1 . ]" 1
233 1 93 LYS HA 1 96 LEU H 3.200 . 4.500 3.042 2.813 3.370 . 0 0 "[ . 1 . ]" 1
234 1 32 ALA H 1 33 TRP H 4.700 . 6.000 4.476 4.382 4.537 . 0 0 "[ . 1 . ]" 1
235 1 15 VAL MG1 1 24 LEU H 4.000 . 6.000 4.039 3.775 4.654 . 0 0 "[ . 1 . ]" 1
236 1 15 VAL HB 1 24 LEU H 3.300 . 4.700 2.836 2.366 3.820 . 0 0 "[ . 1 . ]" 1
237 1 16 ARG HE 1 17 GLN H 4.100 . 6.000 4.125 2.591 5.297 . 0 0 "[ . 1 . ]" 1
238 1 96 LEU H 1 98 GLN H 4.000 . 6.000 3.880 3.774 3.998 . 0 0 "[ . 1 . ]" 1
239 1 25 TYR QD 1 34 ALA H 3.600 . 5.200 3.905 3.687 4.279 . 0 0 "[ . 1 . ]" 1
240 1 34 ALA H 1 41 PHE QD 4.200 . 6.000 5.347 4.525 5.830 . 0 0 "[ . 1 . ]" 1
241 1 23 ALA H 1 33 TRP HA 4.500 . 6.000 5.533 5.122 5.794 . 0 0 "[ . 1 . ]" 1
242 1 96 LEU HA 1 97 GLN H 3.300 . 4.700 3.568 3.514 3.619 . 0 0 "[ . 1 . ]" 1
243 1 20 GLN HG2 1 21 ASP H 3.200 . 4.500 3.128 2.193 4.593 0.093 19 0 "[ . 1 . ]" 1
244 1 17 GLN H 1 20 GLN HB3 4.800 . 6.000 5.097 4.819 5.441 . 0 0 "[ . 1 . ]" 1
245 1 24 LEU H 1 25 TYR H 4.500 . 6.000 4.481 4.349 4.543 . 0 0 "[ . 1 . ]" 1
246 1 26 LEU HA 1 32 ALA H 2.700 . 3.600 3.029 2.607 3.471 . 0 0 "[ . 1 . ]" 1
247 1 32 ALA HA 1 34 ALA H 5.300 . 6.000 6.227 6.169 6.286 0.286 11 0 "[ . 1 . ]" 1
248 1 41 PHE H 1 42 THR H 4.400 . 6.000 4.287 3.517 4.535 . 0 0 "[ . 1 . ]" 1
249 1 47 TYR HA 1 48 ALA H 3.300 . 4.700 3.604 3.568 3.628 . 0 0 "[ . 1 . ]" 1
250 1 51 LYS HA 1 52 CYS H 2.200 . 4.200 2.072 2.030 2.124 . 0 0 "[ . 1 . ]" 1
251 1 67 LEU H 1 68 VAL H 4.300 . 6.000 4.378 4.272 4.456 . 0 0 "[ . 1 . ]" 1
252 1 52 CYS H 1 53 GLN H 4.900 . 6.000 3.834 3.627 3.951 . 0 0 "[ . 1 . ]" 1
253 1 63 ILE H 1 78 HIS HD2 3.200 . 4.500 4.075 2.704 4.762 0.262 4 0 "[ . 1 . ]" 1
254 1 64 GLN H 1 65 LEU H 4.200 . 6.000 4.395 4.337 4.525 . 0 0 "[ . 1 . ]" 1
255 1 65 LEU H 1 66 GLN H 4.200 2.400 6.000 4.504 4.464 4.538 . 0 0 "[ . 1 . ]" 1
256 1 64 GLN HE21 1 65 LEU H 4.100 . 6.000 5.819 5.475 6.038 0.038 1 0 "[ . 1 . ]" 1
257 1 33 TRP HE1 1 34 ALA HA 4.500 . 6.000 5.772 5.536 6.012 0.012 6 0 "[ . 1 . ]" 1
258 1 25 TYR QE 1 34 ALA H 4.200 . 6.000 5.123 4.522 5.434 . 0 0 "[ . 1 . ]" 1
259 1 25 TYR QD 1 33 TRP HA 3.300 . 4.700 3.967 3.646 4.235 . 0 0 "[ . 1 . ]" 1
260 1 11 ILE MD 1 25 TYR QD 4.200 . 6.000 3.916 2.478 4.506 . 0 0 "[ . 1 . ]" 1
261 1 11 ILE MG 1 25 TYR QD 3.800 . 5.600 3.470 3.030 4.121 . 0 0 "[ . 1 . ]" 1
262 1 11 ILE MD 1 25 TYR QE 3.900 . 5.800 3.114 1.980 3.743 0.020 8 0 "[ . 1 . ]" 1
263 1 11 ILE MG 1 25 TYR QE 3.600 . 5.200 2.814 2.405 3.240 . 0 0 "[ . 1 . ]" 1
264 1 11 ILE HG13 1 25 TYR QD 3.000 . 4.100 3.092 2.696 4.157 0.057 10 0 "[ . 1 . ]" 1
265 1 11 ILE HG13 1 25 TYR QE 2.600 . 3.500 2.690 1.860 3.734 0.234 10 0 "[ . 1 . ]" 1
266 1 11 ILE HG13 1 12 VAL H 4.700 . 6.000 3.797 2.642 4.403 . 0 0 "[ . 1 . ]" 1
267 1 16 ARG H 1 78 HIS HB2 4.900 . 6.000 5.150 4.947 5.388 . 0 0 "[ . 1 . ]" 1
268 1 16 ARG H 1 78 HIS HB3 4.000 . 6.000 3.718 3.532 3.975 . 0 0 "[ . 1 . ]" 1
269 1 78 HIS HA 1 79 PHE QD 3.300 . 4.600 2.764 2.223 3.399 . 0 0 "[ . 1 . ]" 1
270 1 64 GLN HA 1 79 PHE QD 2.800 . 3.800 3.724 3.411 3.921 0.121 2 0 "[ . 1 . ]" 1
271 1 76 ASN HA 1 77 PHE QD 4.500 . 6.000 5.157 5.004 5.303 . 0 0 "[ . 1 . ]" 1
272 1 77 PHE QD 1 78 HIS H 2.900 . 3.900 1.797 1.734 1.877 0.166 15 0 "[ . 1 . ]" 1
273 1 34 ALA HA 1 41 PHE QD 4.100 . 6.000 5.119 4.713 5.826 . 0 0 "[ . 1 . ]" 1
274 1 25 TYR QD 1 41 PHE HZ 4.000 . 6.000 4.025 3.455 4.959 . 0 0 "[ . 1 . ]" 1
275 1 25 TYR QD 1 41 PHE QE 2.300 . 3.000 2.985 2.530 3.099 0.099 15 0 "[ . 1 . ]" 1
276 1 103 PHE HB2 1 104 LYS H 4.400 . 6.000 3.977 3.682 4.192 . 0 0 "[ . 1 . ]" 1
277 1 102 LYS H 1 103 PHE H 2.600 . 3.400 2.619 2.321 3.007 . 0 0 "[ . 1 . ]" 1
278 1 103 PHE QD 1 104 LYS H 3.600 . 5.200 3.806 3.545 4.212 . 0 0 "[ . 1 . ]" 1
279 1 23 ALA H 1 25 TYR QE 5.300 . 6.000 5.926 5.638 6.079 0.079 19 0 "[ . 1 . ]" 1
280 1 53 GLN HE21 1 103 PHE QE 3.100 . 4.300 3.293 1.959 4.317 0.017 9 0 "[ . 1 . ]" 1
281 1 102 LYS HA 1 103 PHE QD 4.700 . 6.000 4.531 4.274 4.929 . 0 0 "[ . 1 . ]" 1
282 1 63 ILE MD 1 64 GLN H 3.800 . 5.600 4.542 3.358 5.363 . 0 0 "[ . 1 . ]" 1
283 1 16 ARG HA 1 20 GLN H 3.500 . 5.000 5.217 5.125 5.285 0.285 9 0 "[ . 1 . ]" 1
284 1 19 LYS HB3 1 20 GLN H 3.700 . 5.400 3.500 3.131 3.724 . 0 0 "[ . 1 . ]" 1
285 1 17 GLN HE22 1 33 TRP HH2 4.400 . 6.000 4.735 3.174 5.498 . 0 0 "[ . 1 . ]" 1
286 1 97 GLN HB2 1 98 GLN H 2.900 . 3.900 3.956 3.464 4.284 0.384 8 0 "[ . 1 . ]" 1
287 1 33 TRP HB3 1 77 PHE QD 4.200 . 6.000 6.119 6.026 6.260 0.260 7 0 "[ . 1 . ]" 1
288 1 33 TRP HB2 1 77 PHE QD 4.000 . 6.000 4.641 4.530 4.747 . 0 0 "[ . 1 . ]" 1
289 1 33 TRP HB3 1 77 PHE QE 3.900 . 5.800 3.869 3.764 4.034 . 0 0 "[ . 1 . ]" 1
290 1 33 TRP HB2 1 77 PHE QE 3.300 . 4.700 2.332 2.195 2.432 . 0 0 "[ . 1 . ]" 1
291 1 33 TRP HA 1 41 PHE QD 4.100 . 6.000 5.105 4.214 5.456 . 0 0 "[ . 1 . ]" 1
292 1 25 TYR H 1 77 PHE HZ 4.200 . 6.000 5.900 5.762 6.031 0.031 6 0 "[ . 1 . ]" 1
293 1 31 ILE HA 1 47 TYR QD 4.100 . 6.000 5.485 4.868 5.654 . 0 0 "[ . 1 . ]" 1
294 1 33 TRP HA 1 77 PHE HZ 3.400 . 4.800 3.890 3.531 4.086 . 0 0 "[ . 1 . ]" 1
295 1 64 GLN HA 1 78 HIS HA . . 2.600 2.213 1.829 2.618 0.018 8 0 "[ . 1 . ]" 1
296 1 64 GLN HB3 1 65 LEU H 3.600 . 5.200 4.172 3.606 4.443 . 0 0 "[ . 1 . ]" 1
297 1 64 GLN HA 1 79 PHE QE 3.800 . 5.600 4.285 3.764 5.068 . 0 0 "[ . 1 . ]" 1
298 1 64 GLN HA 1 78 HIS HD2 4.600 . 6.000 2.957 2.096 3.714 . 0 0 "[ . 1 . ]" 1
299 1 64 GLN HA 1 65 LEU H 2.400 . 3.100 2.257 2.191 2.325 . 0 0 "[ . 1 . ]" 1
300 1 79 PHE HZ 1 92 VAL HB 3.500 . 5.000 3.508 2.740 4.694 . 0 0 "[ . 1 . ]" 1
301 1 63 ILE HA 1 64 GLN HB3 4.400 . 6.000 4.984 4.442 5.511 . 0 0 "[ . 1 . ]" 1
302 1 64 GLN HG2 1 78 HIS HA 5.100 . 6.000 5.400 4.413 6.086 0.086 8 0 "[ . 1 . ]" 1
303 1 64 GLN HG3 1 78 HIS HA 5.000 . 6.000 5.739 5.088 6.102 0.102 11 0 "[ . 1 . ]" 1
304 1 64 GLN HB2 1 78 HIS HA 3.400 . 4.800 4.058 3.085 4.688 . 0 0 "[ . 1 . ]" 1
305 1 64 GLN HB3 1 78 HIS HA 3.300 . 4.700 3.695 3.017 4.420 . 0 0 "[ . 1 . ]" 1
306 1 32 ALA HA 1 33 TRP HB2 4.800 . 6.000 4.302 4.215 4.375 . 0 0 "[ . 1 . ]" 1
307 1 32 ALA HA 1 33 TRP HB3 5.500 . 6.000 4.617 4.442 4.752 . 0 0 "[ . 1 . ]" 1
308 1 34 ALA HA 1 42 THR HA 4.700 . 6.000 4.237 3.962 4.460 . 0 0 "[ . 1 . ]" 1
309 1 34 ALA HA 1 42 THR HB 3.400 . 4.800 1.842 1.749 1.897 0.251 7 0 "[ . 1 . ]" 1
310 1 24 LEU HB2 1 25 TYR H 3.900 . 5.800 4.420 4.335 4.535 . 0 0 "[ . 1 . ]" 1
311 1 24 LEU HB3 1 25 TYR H 4.700 . 6.000 3.511 3.383 3.727 . 0 0 "[ . 1 . ]" 1
312 1 24 LEU MD1 1 25 TYR H 5.300 . 6.000 4.406 4.149 4.659 . 0 0 "[ . 1 . ]" 1
313 1 16 ARG HB2 1 78 HIS HB2 4.900 . 6.000 6.151 6.062 6.285 0.285 5 0 "[ . 1 . ]" 1
314 1 16 ARG HB2 1 78 HIS HB3 3.900 . 5.800 4.431 4.309 4.618 . 0 0 "[ . 1 . ]" 1
315 1 16 ARG HB3 1 78 HIS HB2 4.200 . 6.000 4.537 4.313 5.056 . 0 0 "[ . 1 . ]" 1
316 1 16 ARG HB3 1 78 HIS HB3 2.900 . 3.900 2.860 2.572 3.510 . 0 0 "[ . 1 . ]" 1
317 1 16 ARG HG2 1 78 HIS HB2 4.900 . 6.000 4.554 3.612 5.712 . 0 0 "[ . 1 . ]" 1
318 1 16 ARG HG2 1 78 HIS HB3 3.500 . 5.000 3.079 2.207 4.147 . 0 0 "[ . 1 . ]" 1
319 1 16 ARG HG3 1 78 HIS HB3 2.500 . 3.300 3.403 3.284 3.513 0.213 2 0 "[ . 1 . ]" 1
320 1 102 LYS HB3 1 103 PHE HA 3.100 . 4.300 4.453 4.382 4.543 0.243 15 0 "[ . 1 . ]" 1
321 1 65 LEU HB2 1 93 LYS HA 3.500 . 5.100 5.131 4.718 5.236 0.136 16 0 "[ . 1 . ]" 1
322 1 27 MET HG3 1 29 GLU H 3.200 . 4.500 3.274 2.629 4.026 . 0 0 "[ . 1 . ]" 1
323 1 8 VAL HA 1 27 MET HG2 4.200 . 6.000 3.913 3.201 4.554 . 0 0 "[ . 1 . ]" 1
324 1 8 VAL HA 1 27 MET HG3 3.500 . 5.000 2.269 1.933 2.881 0.067 17 0 "[ . 1 . ]" 1
325 1 8 VAL HA 1 27 MET HB2 3.300 2.300 4.300 3.671 2.660 4.270 . 0 0 "[ . 1 . ]" 1
326 1 8 VAL HA 1 27 MET HB3 4.000 . 6.000 4.508 3.892 4.963 . 0 0 "[ . 1 . ]" 1
327 1 45 HIS HB3 1 46 MET H 4.200 . 6.000 3.708 3.460 3.955 . 0 0 "[ . 1 . ]" 1
328 1 57 PRO HG3 1 66 GLN H 5.000 . 6.000 5.831 5.549 6.077 0.077 7 0 "[ . 1 . ]" 1
329 1 31 ILE HG13 1 32 ALA H 3.900 . 5.800 5.019 4.563 5.334 . 0 0 "[ . 1 . ]" 1
330 1 26 LEU HB2 1 27 MET H 4.300 . 6.000 4.176 3.789 4.429 . 0 0 "[ . 1 . ]" 1
331 1 13 LYS HA 1 23 ALA MB 2.600 . 3.500 1.834 1.669 2.340 0.031 10 0 "[ . 1 . ]" 1
332 1 68 VAL MG1 1 74 THR HA 5.100 . 6.000 1.999 1.938 2.175 . 0 0 "[ . 1 . ]" 1
333 1 68 VAL MG2 1 74 THR HA 3.900 . 5.800 2.873 2.749 3.035 . 0 0 "[ . 1 . ]" 1
334 1 69 LEU H 1 74 THR MG 4.300 . 6.000 4.327 4.044 4.503 . 0 0 "[ . 1 . ]" 1
335 1 32 ALA HA 1 44 SER HA . . 2.600 2.074 1.830 2.337 0.070 19 0 "[ . 1 . ]" 1
336 1 44 SER HA 1 45 HIS H 2.400 . 3.100 2.241 2.201 2.268 . 0 0 "[ . 1 . ]" 1
337 1 53 GLN HA 1 67 LEU HA . . 2.600 2.468 2.248 2.640 0.040 19 0 "[ . 1 . ]" 1
338 1 9 LEU HB3 1 10 LEU H 3.200 2.600 3.800 2.780 2.553 3.140 0.047 7 0 "[ . 1 . ]" 1
339 1 69 LEU HG 1 71 ALA H 4.700 . 6.000 5.060 4.950 5.123 . 0 0 "[ . 1 . ]" 1
340 1 104 LYS HB2 1 105 ARG H 3.500 . 5.000 4.052 3.129 4.658 . 0 0 "[ . 1 . ]" 1
341 1 104 LYS HB3 1 105 ARG H 3.000 . 4.100 3.551 1.873 4.199 0.099 2 0 "[ . 1 . ]" 1
342 1 24 LEU HB2 1 77 PHE QE 4.200 . 6.000 4.385 4.151 4.701 . 0 0 "[ . 1 . ]" 1
343 1 49 ASP HA 1 70 HIS HE1 4.700 . 6.000 5.473 4.380 6.151 0.151 9 0 "[ . 1 . ]" 1
344 1 49 ASP HA 1 70 HIS HD2 2.400 . 3.100 2.761 1.893 3.297 0.197 8 0 "[ . 1 . ]" 1
345 1 50 ILE HA 1 70 HIS HD2 4.100 . 6.000 3.256 2.499 3.917 . 0 0 "[ . 1 . ]" 1
346 1 51 LYS HA 1 70 HIS HD2 4.100 . 6.000 5.641 4.357 6.168 0.168 9 0 "[ . 1 . ]" 1
347 1 49 ASP HB3 1 70 HIS HD2 3.900 . 5.800 4.411 3.784 4.808 . 0 0 "[ . 1 . ]" 1
348 1 48 ALA MB 1 70 HIS HD2 4.600 . 6.000 5.157 4.702 5.596 . 0 0 "[ . 1 . ]" 1
349 1 30 ARG HE 1 31 ILE HA 4.300 . 6.000 5.866 5.626 6.079 0.079 7 0 "[ . 1 . ]" 1
350 1 94 ASP HA 1 97 GLN H 4.600 . 6.000 4.263 3.879 4.752 . 0 0 "[ . 1 . ]" 1
351 1 88 GLU HB3 1 89 ARG H 3.300 . 4.700 3.522 3.262 3.728 . 0 0 "[ . 1 . ]" 1
352 1 86 VAL H 1 89 ARG HE 3.700 2.800 4.600 3.826 3.015 4.760 0.160 10 0 "[ . 1 . ]" 1
353 1 12 VAL H 1 23 ALA HA 4.000 . 6.000 5.309 4.512 5.804 . 0 0 "[ . 1 . ]" 1
354 1 68 VAL MG2 1 75 THR H 5.400 . 6.000 3.576 3.396 3.832 . 0 0 "[ . 1 . ]" 1
355 1 68 VAL MG1 1 75 THR H 5.800 . 6.000 4.042 3.909 4.156 . 0 0 "[ . 1 . ]" 1
356 1 67 LEU HA 1 68 VAL H 2.200 . 2.800 2.334 2.251 2.421 . 0 0 "[ . 1 . ]" 1
357 1 70 HIS HB2 1 71 ALA H 4.700 . 6.000 3.251 2.531 3.850 . 0 0 "[ . 1 . ]" 1
358 1 90 ASP HB2 1 91 ALA H 3.000 . 4.100 3.561 2.869 4.036 . 0 0 "[ . 1 . ]" 1
359 1 55 ILE MD 1 56 SER H 3.000 . 4.100 4.089 3.908 4.235 0.135 18 0 "[ . 1 . ]" 1
360 1 55 ILE HA 1 56 SER H 2.400 . 3.100 2.208 2.185 2.233 . 0 0 "[ . 1 . ]" 1
361 1 65 LEU HB2 1 66 GLN H 4.600 . 6.000 2.451 2.252 2.592 . 0 0 "[ . 1 . ]" 1
362 1 65 LEU HG 1 66 GLN H 3.200 . 4.500 4.530 4.345 4.608 0.108 9 0 "[ . 1 . ]" 1
363 1 88 GLU HG2 1 89 ARG HE 3.700 . 5.400 3.527 2.407 4.540 . 0 0 "[ . 1 . ]" 1
364 1 63 ILE HB 1 79 PHE QD 4.700 . 6.000 4.234 3.569 4.691 . 0 0 "[ . 1 . ]" 1
365 1 88 GLU HA 1 89 ARG HE 4.200 . 6.000 5.267 3.528 6.204 0.204 17 0 "[ . 1 . ]" 1
366 1 88 GLU HB2 1 89 ARG H 4.100 . 6.000 2.325 1.795 2.760 0.205 10 0 "[ . 1 . ]" 1
367 1 88 GLU HB2 1 89 ARG HE 4.100 . 6.000 2.939 1.850 4.060 0.150 19 0 "[ . 1 . ]" 1
368 1 88 GLU HB3 1 89 ARG HE 3.600 . 5.300 4.104 2.338 5.029 . 0 0 "[ . 1 . ]" 1
369 1 33 TRP HE1 1 77 PHE HZ 2.900 . 4.000 2.800 2.676 2.873 . 0 0 "[ . 1 . ]" 1
370 1 15 VAL H 1 33 TRP HE1 3.600 . 5.200 4.703 4.036 4.991 . 0 0 "[ . 1 . ]" 1
371 1 15 VAL HA 1 33 TRP HE1 4.000 . 6.000 5.831 5.700 6.051 0.051 4 0 "[ . 1 . ]" 1
372 1 15 VAL MG1 1 33 TRP HE1 3.400 . 4.900 3.598 3.196 4.699 . 0 0 "[ . 1 . ]" 1
373 1 15 VAL MG2 1 33 TRP HE1 3.300 . 4.700 4.684 4.269 4.818 0.118 15 0 "[ . 1 . ]" 1
374 1 69 LEU MD2 1 72 GLY H 4.800 3.500 6.100 6.291 6.135 6.425 0.325 3 0 "[ . 1 . ]" 1
375 1 43 ILE MD 1 45 HIS HE1 2.900 . 4.000 2.013 1.756 3.477 0.044 11 0 "[ . 1 . ]" 1
376 1 69 LEU MD2 1 73 ASP H 4.100 . 6.000 3.996 3.801 4.180 . 0 0 "[ . 1 . ]" 1
377 1 63 ILE HG12 1 79 PHE QD 2.400 . 3.100 2.039 1.671 2.615 0.029 11 0 "[ . 1 . ]" 1
378 1 63 ILE MG 1 79 PHE QD 3.700 . 5.400 3.404 1.800 4.643 0.200 9 0 "[ . 1 . ]" 1
379 1 63 ILE MD 1 79 PHE QD 4.800 . 6.000 3.087 1.811 3.839 0.089 14 0 "[ . 1 . ]" 1
380 1 78 HIS HA 1 79 PHE QE 4.300 . 6.000 3.815 3.157 4.652 . 0 0 "[ . 1 . ]" 1
381 1 15 VAL MG2 1 79 PHE QE 3.500 . 5.100 2.052 1.816 2.381 0.084 17 0 "[ . 1 . ]" 1
382 1 24 LEU MD2 1 79 PHE HZ 4.800 . 6.000 5.019 4.693 5.367 . 0 0 "[ . 1 . ]" 1
383 1 12 VAL MG1 1 79 PHE QD 4.300 . 6.000 3.158 1.794 4.558 0.206 16 0 "[ . 1 . ]" 1
384 1 79 PHE QD 1 92 VAL MG1 4.100 . 6.000 4.145 3.391 4.778 . 0 0 "[ . 1 . ]" 1
385 1 12 VAL H 1 24 LEU MD2 4.100 2.900 5.300 5.033 4.751 5.301 0.001 10 0 "[ . 1 . ]" 1
386 1 24 LEU MD1 1 78 HIS H 5.800 . 6.000 3.868 3.769 4.009 . 0 0 "[ . 1 . ]" 1
387 1 24 LEU MD1 1 79 PHE QD 4.700 . 6.000 4.434 4.136 4.662 . 0 0 "[ . 1 . ]" 1
388 1 24 LEU MD1 1 79 PHE QE 2.800 . 3.800 3.118 2.582 3.525 . 0 0 "[ . 1 . ]" 1
389 1 24 LEU MD1 1 79 PHE HZ 2.700 . 3.600 2.674 2.361 3.035 . 0 0 "[ . 1 . ]" 1
390 1 12 VAL MG2 1 79 PHE QD 2.400 . 3.100 3.192 3.060 3.317 0.217 16 0 "[ . 1 . ]" 1
391 1 12 VAL MG1 1 79 PHE QE 2.700 . 3.600 2.760 1.742 3.620 0.058 4 0 "[ . 1 . ]" 1
392 1 12 VAL MG1 1 79 PHE HZ 4.800 . 6.000 4.356 3.767 4.875 . 0 0 "[ . 1 . ]" 1
393 1 12 VAL MG2 1 79 PHE QE 2.500 . 3.300 1.862 1.659 3.313 0.041 6 0 "[ . 1 . ]" 1
394 1 12 VAL MG2 1 79 PHE HZ 4.900 . 6.000 3.409 2.922 5.061 . 0 0 "[ . 1 . ]" 1
395 1 15 VAL MG2 1 24 LEU H 4.000 . 6.000 2.201 1.854 2.532 0.146 7 0 "[ . 1 . ]" 1
396 1 24 LEU MD2 1 33 TRP HE1 5.300 . 6.000 4.314 4.038 4.665 . 0 0 "[ . 1 . ]" 1
397 1 24 LEU MD1 1 33 TRP HE1 5.000 . 6.000 4.937 4.772 5.185 . 0 0 "[ . 1 . ]" 1
398 1 24 LEU HG 1 33 TRP HE1 4.800 . 6.000 3.611 3.402 3.974 . 0 0 "[ . 1 . ]" 1
399 1 95 LEU HA 1 98 GLN H 3.400 . 4.900 3.410 3.205 3.700 . 0 0 "[ . 1 . ]" 1
400 1 93 LYS HA 1 97 GLN HE21 3.700 . 5.500 4.319 3.502 5.276 . 0 0 "[ . 1 . ]" 1
401 1 93 LYS HG3 1 97 GLN HE22 4.900 . 6.000 3.651 1.944 6.098 0.098 9 0 "[ . 1 . ]" 1
402 1 23 ALA H 1 33 TRP HE1 3.300 . 4.700 3.630 3.526 3.831 . 0 0 "[ . 1 . ]" 1
403 1 79 PHE HZ 1 92 VAL MG2 2.400 . 3.100 3.225 3.039 3.389 0.289 16 0 "[ . 1 . ]" 1
404 1 79 PHE QE 1 92 VAL MG2 2.400 . 3.100 2.547 1.931 3.148 0.048 6 0 "[ . 1 . ]" 1
405 1 17 GLN HB3 1 33 TRP HZ2 3.600 . 5.300 5.353 4.921 5.566 0.266 3 0 "[ . 1 . ]" 1
406 1 17 GLN HB2 1 33 TRP HZ2 4.500 . 6.000 6.075 5.964 6.271 0.271 18 0 "[ . 1 . ]" 1
407 1 33 TRP HB2 1 77 PHE HZ 2.900 . 3.900 2.880 2.788 3.066 . 0 0 "[ . 1 . ]" 1
408 1 33 TRP HB3 1 77 PHE HZ 3.800 . 5.600 3.828 3.784 3.922 . 0 0 "[ . 1 . ]" 1
409 1 24 LEU HA 1 77 PHE HZ 3.000 . 4.100 4.218 4.158 4.325 0.225 7 0 "[ . 1 . ]" 1
410 1 33 TRP HA 1 77 PHE QE 5.100 . 6.000 4.091 3.771 4.275 . 0 0 "[ . 1 . ]" 1
411 1 22 GLY HA2 1 33 TRP HE1 5.000 . 6.000 3.576 3.361 3.767 . 0 0 "[ . 1 . ]" 1
412 1 33 TRP HE1 1 77 PHE QD 4.800 . 6.000 5.020 4.859 5.198 . 0 0 "[ . 1 . ]" 1
413 1 33 TRP HE1 1 77 PHE QE 3.700 . 5.400 2.812 2.617 3.060 . 0 0 "[ . 1 . ]" 1
414 1 101 PRO HD2 1 102 LYS H 3.600 . 5.200 3.368 3.077 3.592 . 0 0 "[ . 1 . ]" 1
415 1 101 PRO HD3 1 102 LYS H 3.600 . 5.200 4.224 4.164 4.342 . 0 0 "[ . 1 . ]" 1
416 1 99 LEU H 1 101 PRO HD3 4.700 . 6.000 4.522 4.234 4.836 . 0 0 "[ . 1 . ]" 1
417 1 99 LEU H 1 101 PRO HD2 4.100 . 6.000 3.139 2.856 3.373 . 0 0 "[ . 1 . ]" 1
418 1 25 TYR QE 1 41 PHE HZ 3.800 . 5.700 4.205 3.296 5.778 0.078 1 0 "[ . 1 . ]" 1
419 1 25 TYR QE 1 41 PHE QE 3.500 . 5.000 3.783 3.165 4.275 . 0 0 "[ . 1 . ]" 1
420 1 63 ILE HG12 1 64 GLN H 3.600 . 5.200 4.788 4.307 5.114 . 0 0 "[ . 1 . ]" 1
421 1 67 LEU HG 1 68 VAL H 4.200 . 6.000 2.527 1.894 3.456 0.106 4 0 "[ . 1 . ]" 1
422 1 32 ALA MB 1 45 HIS H 4.800 . 6.000 4.487 4.248 4.653 . 0 0 "[ . 1 . ]" 1
423 1 10 LEU H 1 25 TYR HA 5.200 . 6.000 5.481 4.718 5.883 . 0 0 "[ . 1 . ]" 1
424 1 45 HIS HB3 1 69 LEU MD2 3.500 . 5.000 3.715 3.255 4.471 . 0 0 "[ . 1 . ]" 1
425 1 50 ILE HA 1 69 LEU HB3 5.200 . 6.000 3.560 3.151 3.876 . 0 0 "[ . 1 . ]" 1
426 1 50 ILE HA 1 69 LEU HB2 4.300 . 6.000 4.626 4.494 4.756 . 0 0 "[ . 1 . ]" 1
427 1 50 ILE HA 1 69 LEU MD2 4.200 . 6.000 3.035 2.785 3.397 . 0 0 "[ . 1 . ]" 1
428 1 50 ILE HA 1 69 LEU MD1 3.000 . 4.100 3.239 2.034 3.903 . 0 0 "[ . 1 . ]" 1
429 1 49 ASP HA 1 69 LEU MD2 5.100 2.500 6.500 6.570 6.261 6.845 0.345 8 0 "[ . 1 . ]" 1
430 1 49 ASP HA 1 69 LEU MD1 4.600 . 6.000 5.426 4.476 6.080 0.080 9 0 "[ . 1 . ]" 1
431 1 11 ILE HG12 1 25 TYR QD 3.000 . 4.100 3.597 3.060 4.161 0.061 8 0 "[ . 1 . ]" 1
432 1 11 ILE HB 1 25 TYR QD 3.400 . 4.800 2.216 1.814 2.886 0.186 10 0 "[ . 1 . ]" 1
433 1 11 ILE HG12 1 25 TYR QE 2.900 . 3.900 3.684 2.085 3.977 0.077 4 0 "[ . 1 . ]" 1
434 1 11 ILE HB 1 25 TYR QE 4.100 . 6.000 2.972 2.289 3.485 . 0 0 "[ . 1 . ]" 1
435 1 15 VAL MG1 1 24 LEU HG 3.400 . 4.800 2.193 1.968 3.251 0.032 8 0 "[ . 1 . ]" 1
436 1 15 VAL MG2 1 24 LEU HG 2.500 . 3.300 3.225 2.894 3.341 0.041 9 0 "[ . 1 . ]" 1
437 1 14 LYS HB2 1 15 VAL H 4.500 . 6.000 4.515 4.159 4.653 . 0 0 "[ . 1 . ]" 1
438 1 12 VAL HB 1 15 VAL MG2 3.300 . 4.600 2.630 1.919 3.541 0.081 2 0 "[ . 1 . ]" 1
439 1 12 VAL HB 1 15 VAL MG1 2.600 . 5.600 5.092 3.899 5.714 0.114 10 0 "[ . 1 . ]" 1
440 1 58 GLU H 1 59 GLY H 3.500 . 5.000 2.347 1.926 2.733 0.074 4 0 "[ . 1 . ]" 1
441 1 58 GLU HA 1 59 GLY H 3.200 . 4.400 3.478 3.406 3.528 . 0 0 "[ . 1 . ]" 1
442 1 60 LYS HA 1 61 ALA H 3.700 . 5.400 2.916 2.505 3.394 . 0 0 "[ . 1 . ]" 1
443 1 59 GLY HA2 1 60 LYS H 4.100 . 6.000 2.926 2.636 3.162 . 0 0 "[ . 1 . ]" 1
444 1 59 GLY HA3 1 60 LYS H 3.400 . 4.900 3.525 3.445 3.610 . 0 0 "[ . 1 . ]" 1
445 1 97 GLN H 1 98 GLN HA 3.600 . 5.200 5.227 5.126 5.344 0.144 8 0 "[ . 1 . ]" 1
446 1 60 LYS HB2 1 61 ALA H 5.400 . 6.000 2.737 2.035 3.458 . 0 0 "[ . 1 . ]" 1
447 1 60 LYS HB3 1 61 ALA H 4.200 . 6.000 1.880 1.790 1.996 0.210 15 0 "[ . 1 . ]" 1
448 1 61 ALA HA 1 62 LYS H 4.600 . 6.000 3.541 3.281 3.624 . 0 0 "[ . 1 . ]" 1
449 1 61 ALA MB 1 62 LYS H 3.000 . 4.100 2.396 1.871 3.248 0.029 2 0 "[ . 1 . ]" 1
450 1 8 VAL MG2 1 25 TYR QD 3.200 2.300 4.100 3.670 2.599 4.104 0.004 16 0 "[ . 1 . ]" 1
451 1 8 VAL MG2 1 25 TYR QE 3.700 . 5.400 4.451 3.637 5.049 . 0 0 "[ . 1 . ]" 1
452 1 62 LYS HA 1 63 ILE H 2.300 . 3.000 3.072 2.761 3.439 0.439 12 0 "[ . 1 . ]" 1
453 1 95 LEU HA 1 99 LEU H 4.000 . 6.000 4.291 3.847 4.567 . 0 0 "[ . 1 . ]" 1
454 1 58 GLU HB3 1 59 GLY H 2.700 . 3.600 3.366 2.786 3.711 0.111 14 0 "[ . 1 . ]" 1
455 1 58 GLU HG2 1 59 GLY H 3.900 . 5.800 4.462 2.201 5.206 . 0 0 "[ . 1 . ]" 1
456 1 80 SER HA 1 81 ASN H 2.600 . 3.400 2.524 2.131 3.557 0.157 9 0 "[ . 1 . ]" 1
457 1 11 ILE HA 1 24 LEU H 4.600 . 6.000 5.648 4.743 5.985 . 0 0 "[ . 1 . ]" 1
458 1 82 GLU HA 1 83 SER H 3.100 . 4.300 3.524 3.241 3.589 . 0 0 "[ . 1 . ]" 1
459 1 81 ASN H 1 82 GLU H 4.500 . 6.000 4.283 3.711 4.660 . 0 0 "[ . 1 . ]" 1
460 1 11 ILE HB 1 25 TYR H 4.300 . 6.000 5.547 5.059 6.102 0.102 7 0 "[ . 1 . ]" 1
461 1 25 TYR HB3 1 41 PHE QE 4.200 . 6.000 3.079 2.111 3.624 . 0 0 "[ . 1 . ]" 1
462 1 25 TYR HB2 1 41 PHE QE 4.100 . 6.000 2.988 1.982 4.291 0.018 4 0 "[ . 1 . ]" 1
463 1 25 TYR HB3 1 41 PHE HZ 5.200 . 6.000 4.537 3.569 5.121 . 0 0 "[ . 1 . ]" 1
464 1 25 TYR HB2 1 41 PHE HZ 5.500 . 6.000 5.025 4.076 5.737 . 0 0 "[ . 1 . ]" 1
465 1 66 GLN HB3 1 67 LEU H 2.900 . 3.900 3.620 3.371 3.783 . 0 0 "[ . 1 . ]" 1
466 1 95 LEU HA 1 98 GLN HE21 3.400 . 4.900 3.686 2.575 4.909 0.009 14 0 "[ . 1 . ]" 1
467 1 95 LEU HA 1 98 GLN HE22 4.900 . 6.000 4.641 3.934 5.898 . 0 0 "[ . 1 . ]" 1
468 1 20 GLN HB2 1 33 TRP HH2 3.500 . 5.000 2.371 1.869 3.148 0.131 7 0 "[ . 1 . ]" 1
469 1 20 GLN HG3 1 33 TRP HH2 2.600 . 3.500 3.362 2.704 3.598 0.098 10 0 "[ . 1 . ]" 1
470 1 20 GLN HG2 1 33 TRP HH2 3.400 . 4.900 3.724 1.843 4.468 0.057 5 0 "[ . 1 . ]" 1
471 1 53 GLN HB3 1 54 LYS H 3.600 . 5.200 3.396 3.235 3.629 . 0 0 "[ . 1 . ]" 1
472 1 93 LYS HA 1 94 ASP H 3.400 . 4.900 3.567 3.490 3.621 . 0 0 "[ . 1 . ]" 1
473 1 48 ALA HA 1 50 ILE H 3.600 . 5.200 3.468 3.246 3.904 . 0 0 "[ . 1 . ]" 1
474 1 38 LYS HA 1 40 ARG H 4.000 . 6.000 5.394 4.143 6.266 0.266 11 0 "[ . 1 . ]" 1
475 1 40 ARG HA 1 41 PHE QD 4.800 . 6.000 4.967 3.182 5.739 . 0 0 "[ . 1 . ]" 1
476 1 38 LYS HA 1 39 ASP H 3.000 . 4.100 3.189 2.553 3.592 . 0 0 "[ . 1 . ]" 1
477 1 37 GLY HA3 1 38 LYS H 3.200 . 4.500 2.482 2.187 3.087 . 0 0 "[ . 1 . ]" 1
478 1 37 GLY HA2 1 38 LYS H 4.500 . 6.000 3.179 2.435 3.601 . 0 0 "[ . 1 . ]" 1
479 1 81 ASN HB2 1 82 GLU H 3.200 . 4.500 3.319 1.873 4.251 0.027 18 0 "[ . 1 . ]" 1
480 1 66 GLN HG2 1 76 ASN HA 3.700 . 5.400 3.501 3.113 4.082 . 0 0 "[ . 1 . ]" 1
481 1 76 ASN HB3 1 77 PHE H 3.200 . 4.500 3.146 2.951 3.509 . 0 0 "[ . 1 . ]" 1
482 1 76 ASN HB2 1 77 PHE H 3.900 . 5.800 4.017 3.817 4.277 . 0 0 "[ . 1 . ]" 1
483 1 76 ASN HB2 1 77 PHE QD 3.900 . 5.800 5.801 5.668 5.865 0.065 15 0 "[ . 1 . ]" 1
484 1 76 ASN HB3 1 77 PHE QD 5.000 . 6.000 6.022 5.912 6.073 0.073 4 0 "[ . 1 . ]" 1
485 1 66 GLN HA 1 76 ASN HB2 5.400 . 6.000 5.116 4.822 5.404 . 0 0 "[ . 1 . ]" 1
486 1 66 GLN HA 1 76 ASN HB3 5.400 . 6.000 4.185 3.764 4.615 . 0 0 "[ . 1 . ]" 1
487 1 100 LEU HA 1 101 PRO HD2 4.500 . 6.000 3.838 3.773 3.875 . 0 0 "[ . 1 . ]" 1
488 1 100 LEU HA 1 101 PRO HD3 4.500 . 6.000 3.821 3.720 4.031 . 0 0 "[ . 1 . ]" 1
489 1 98 GLN HG2 1 101 PRO HD3 4.600 . 6.000 5.978 5.830 6.068 0.068 18 0 "[ . 1 . ]" 1
490 1 98 GLN HG2 1 101 PRO HD2 5.300 . 6.000 4.773 4.466 4.998 . 0 0 "[ . 1 . ]" 1
491 1 5 SER HB2 1 6 GLU HB3 3.800 . 5.600 5.435 4.693 5.660 0.060 7 0 "[ . 1 . ]" 1
492 1 34 ALA MB 1 42 THR HA 2.100 . 4.700 4.559 4.145 4.911 0.211 7 0 "[ . 1 . ]" 1
493 1 34 ALA MB 1 42 THR HB 2.600 2.100 3.100 3.259 3.161 3.318 0.218 11 0 "[ . 1 . ]" 1
494 1 45 HIS HB3 1 69 LEU MD1 3.100 . 4.300 2.727 2.396 3.177 . 0 0 "[ . 1 . ]" 1
495 1 69 LEU MD1 1 73 ASP HB3 4.600 . 6.000 3.116 2.500 4.079 . 0 0 "[ . 1 . ]" 1
496 1 69 LEU MD1 1 73 ASP HB2 4.700 . 6.000 3.057 2.368 4.723 . 0 0 "[ . 1 . ]" 1
497 1 69 LEU MD2 1 73 ASP HB2 3.300 . 4.700 3.651 3.045 4.809 0.109 4 0 "[ . 1 . ]" 1
498 1 69 LEU MD2 1 73 ASP HB3 3.200 . 4.500 3.394 2.570 4.601 0.101 10 0 "[ . 1 . ]" 1
499 1 32 ALA MB 1 41 PHE HB2 4.500 . 6.000 4.606 2.204 5.868 . 0 0 "[ . 1 . ]" 1
500 1 32 ALA MB 1 44 SER HB3 3.100 . 4.300 3.173 2.075 4.306 0.006 16 0 "[ . 1 . ]" 1
501 1 32 ALA MB 1 44 SER HB2 4.700 . 6.000 3.529 2.612 4.475 . 0 0 "[ . 1 . ]" 1
502 1 91 ALA H 1 92 VAL H 2.600 . 3.400 2.359 1.914 2.779 . 0 0 "[ . 1 . ]" 1
503 1 95 LEU H 1 97 GLN H 4.800 . 6.000 4.479 4.166 4.955 . 0 0 "[ . 1 . ]" 1
504 1 93 LYS H 1 95 LEU H 4.400 . 6.000 4.043 3.624 4.796 . 0 0 "[ . 1 . ]" 1
505 1 27 MET H 1 30 ARG HE 3.300 . 4.600 4.708 4.569 4.779 0.179 11 0 "[ . 1 . ]" 1
506 1 15 VAL H 1 33 TRP HZ2 4.800 . 6.000 6.084 5.903 6.199 0.199 5 0 "[ . 1 . ]" 1
507 1 41 PHE QD 1 43 ILE H 2.800 . 3.700 3.836 3.769 3.942 0.242 10 0 "[ . 1 . ]" 1
508 1 88 GLU H 1 89 ARG HE 4.600 . 6.000 4.928 3.220 5.709 . 0 0 "[ . 1 . ]" 1
509 1 102 LYS H 1 103 PHE QD 3.800 . 5.700 4.048 3.461 4.465 . 0 0 "[ . 1 . ]" 1
510 1 33 TRP H 1 41 PHE QD 3.800 . 5.600 3.906 3.243 4.369 . 0 0 "[ . 1 . ]" 1
511 1 41 PHE QD 1 42 THR H 4.500 . 6.000 3.540 2.755 4.572 . 0 0 "[ . 1 . ]" 1
512 1 65 LEU MD1 1 77 PHE QD 3.000 . 4.100 4.010 3.496 4.262 0.162 6 0 "[ . 1 . ]" 1
513 1 79 PHE QE 1 92 VAL HB 3.600 . 5.200 3.592 3.060 3.973 . 0 0 "[ . 1 . ]" 1
514 1 91 ALA H 1 92 VAL MG1 4.600 . 6.000 5.388 3.968 5.944 . 0 0 "[ . 1 . ]" 1
515 1 91 ALA H 1 92 VAL MG2 4.500 . 6.000 4.078 3.135 5.407 . 0 0 "[ . 1 . ]" 1
516 1 91 ALA H 1 92 VAL HB 4.700 . 6.000 4.572 3.879 5.719 . 0 0 "[ . 1 . ]" 1
517 1 33 TRP HA 1 77 PHE QD 5.500 . 6.000 5.927 5.611 6.090 0.090 4 0 "[ . 1 . ]" 1
518 1 33 TRP HZ3 1 34 ALA H 4.700 2.500 6.500 6.652 6.490 6.794 0.294 2 0 "[ . 1 . ]" 1
519 1 45 HIS HB2 1 47 TYR QE 4.300 . 6.000 4.934 3.563 6.003 0.003 11 0 "[ . 1 . ]" 1
520 1 48 ALA H 1 103 PHE HB3 4.600 . 6.000 3.711 2.891 4.036 . 0 0 "[ . 1 . ]" 1
521 1 25 TYR HB3 1 41 PHE QD 4.300 . 6.000 4.550 3.195 5.357 . 0 0 "[ . 1 . ]" 1
522 1 25 TYR HB2 1 41 PHE QD 3.100 . 4.300 3.649 2.889 4.334 0.034 19 0 "[ . 1 . ]" 1
523 1 15 VAL HB 1 77 PHE HZ 4.000 . 6.000 4.568 4.170 4.745 . 0 0 "[ . 1 . ]" 1
524 1 30 ARG HB2 1 45 HIS HD2 3.200 . 4.400 4.405 4.328 4.489 0.089 6 0 "[ . 1 . ]" 1
525 1 43 ILE MD 1 45 HIS HD2 3.200 . 4.500 3.936 1.884 4.559 0.059 15 0 "[ . 1 . ]" 1
526 1 45 HIS HD2 1 75 THR MG 2.800 . 3.800 3.741 3.550 3.855 0.055 6 0 "[ . 1 . ]" 1
527 1 45 HIS HD2 1 69 LEU MD1 3.800 . 5.600 5.711 5.624 5.792 0.192 16 0 "[ . 1 . ]" 1
528 1 45 HIS HD2 1 77 PHE QE 3.800 . 5.600 5.569 5.218 5.650 0.050 3 0 "[ . 1 . ]" 1
529 1 45 HIS HD2 1 77 PHE QD 3.900 . 5.800 5.805 5.638 6.006 0.206 6 0 "[ . 1 . ]" 1
530 1 23 ALA HA 1 77 PHE HZ 5.700 . 6.000 6.231 6.100 6.323 0.323 5 0 "[ . 1 . ]" 1
531 1 96 LEU MD2 1 97 GLN H 3.900 . 5.800 4.272 4.221 4.336 . 0 0 "[ . 1 . ]" 1
532 1 24 LEU MD2 1 77 PHE HZ 2.800 . 3.800 2.987 2.810 3.161 . 0 0 "[ . 1 . ]" 1
533 1 15 VAL MG2 1 77 PHE HZ 4.000 . 6.000 5.228 4.962 5.358 . 0 0 "[ . 1 . ]" 1
534 1 24 LEU MD1 1 77 PHE HZ 4.300 . 6.000 3.811 3.686 4.013 . 0 0 "[ . 1 . ]" 1
535 1 24 LEU HG 1 77 PHE HZ 2.900 . 3.900 2.702 2.575 2.958 . 0 0 "[ . 1 . ]" 1
536 1 24 LEU MD2 1 77 PHE QE 3.100 . 4.300 2.124 1.916 2.298 . 0 0 "[ . 1 . ]" 1
537 1 13 LYS HA 1 24 LEU H 3.700 . 5.400 3.833 3.204 4.406 . 0 0 "[ . 1 . ]" 1
538 1 13 LYS HA 1 23 ALA HA . 2.300 3.100 3.247 2.822 3.541 0.441 4 0 "[ . 1 . ]" 1
539 1 15 VAL MG1 1 79 PHE QD 2.900 . 4.000 3.482 2.548 3.965 . 0 0 "[ . 1 . ]" 1
540 1 96 LEU H 1 99 LEU HG 3.900 . 5.800 4.889 4.193 5.204 . 0 0 "[ . 1 . ]" 1
541 1 15 VAL HB 1 79 PHE QD 4.500 . 6.000 4.822 4.252 5.313 . 0 0 "[ . 1 . ]" 1
542 1 15 VAL MG1 1 79 PHE QE 3.200 . 4.500 3.481 2.784 3.930 . 0 0 "[ . 1 . ]" 1
543 1 15 VAL HB 1 79 PHE QE 3.500 . 5.000 4.697 4.444 5.031 0.031 15 0 "[ . 1 . ]" 1
544 1 15 VAL MG1 1 77 PHE HZ 3.900 . 5.800 3.621 3.320 4.635 . 0 0 "[ . 1 . ]" 1
545 1 56 SER HA 1 57 PRO HD3 3.300 . 4.700 3.626 2.783 3.951 . 0 0 "[ . 1 . ]" 1
546 1 56 SER HA 1 57 PRO HD2 3.200 . 4.500 3.420 3.114 4.017 . 0 0 "[ . 1 . ]" 1
547 1 56 SER HB2 1 57 PRO HD2 4.600 . 6.000 4.861 3.973 5.339 . 0 0 "[ . 1 . ]" 1
548 1 43 ILE MD 1 77 PHE QE 3.300 . 4.700 3.248 2.715 3.526 . 0 0 "[ . 1 . ]" 1
549 1 43 ILE MD 1 77 PHE HZ 4.600 . 6.000 4.436 4.157 4.597 . 0 0 "[ . 1 . ]" 1
550 1 24 LEU MD2 1 79 PHE QE 5.300 . 6.000 5.024 4.635 5.455 . 0 0 "[ . 1 . ]" 1
551 1 57 PRO HG3 1 79 PHE QD 4.200 . 6.000 5.703 5.324 6.037 0.037 14 0 "[ . 1 . ]" 1
552 1 15 VAL HB 1 79 PHE HZ 5.000 . 6.000 6.052 5.584 6.195 0.195 3 0 "[ . 1 . ]" 1
553 1 92 VAL HA 1 95 LEU H 3.400 . 4.800 3.511 3.294 3.776 . 0 0 "[ . 1 . ]" 1
554 1 63 ILE HG12 1 79 PHE HB2 2.300 . 2.900 2.793 2.280 3.329 0.429 11 0 "[ . 1 . ]" 1
555 1 68 VAL MG1 1 72 GLY HA2 4.700 . 6.000 3.426 3.134 3.751 . 0 0 "[ . 1 . ]" 1
556 1 63 ILE HG12 1 79 PHE HB3 3.500 . 5.100 4.222 3.425 4.841 . 0 0 "[ . 1 . ]" 1
557 1 47 TYR QD 1 49 ASP H 5.000 . 6.000 5.735 5.445 6.105 0.105 11 0 "[ . 1 . ]" 1
558 1 22 GLY H 1 33 TRP HE1 3.900 . 5.800 2.937 2.337 3.216 . 0 0 "[ . 1 . ]" 1
559 1 79 PHE H 1 80 SER H 3.500 . 5.000 4.428 4.265 4.561 . 0 0 "[ . 1 . ]" 1
560 1 15 VAL MG1 1 77 PHE HB2 3.000 . 4.200 4.319 4.275 4.399 0.199 6 0 "[ . 1 . ]" 1
561 1 15 VAL MG2 1 77 PHE HB2 4.700 3.000 6.400 5.728 5.486 5.979 . 0 0 "[ . 1 . ]" 1
562 1 15 VAL MG1 1 77 PHE HB3 4.000 . 6.000 3.179 2.900 3.288 . 0 0 "[ . 1 . ]" 1
563 1 15 VAL MG2 1 77 PHE HB3 5.600 . 6.000 4.423 4.262 4.700 . 0 0 "[ . 1 . ]" 1
564 1 15 VAL MG2 1 79 PHE HB3 4.600 . 6.000 3.701 2.979 4.549 . 0 0 "[ . 1 . ]" 1
565 1 15 VAL MG1 1 79 PHE HB3 4.700 . 6.000 4.595 3.412 5.156 . 0 0 "[ . 1 . ]" 1
566 1 21 ASP HA 1 33 TRP HE1 4.500 . 6.000 4.629 3.928 4.877 . 0 0 "[ . 1 . ]" 1
567 1 16 ARG H 1 21 ASP HA 4.400 . 6.000 4.477 4.215 4.675 . 0 0 "[ . 1 . ]" 1
568 1 90 ASP HA 1 92 VAL H 4.400 3.200 5.600 4.501 4.007 4.824 . 0 0 "[ . 1 . ]" 1
569 1 49 ASP H 1 50 ILE HA 3.900 . 5.800 5.247 5.197 5.315 . 0 0 "[ . 1 . ]" 1
570 1 97 GLN HA 1 99 LEU H 4.000 . 6.000 4.230 3.951 4.429 . 0 0 "[ . 1 . ]" 1
571 1 88 GLU HA 1 92 VAL H 4.500 . 6.000 4.659 4.479 4.848 . 0 0 "[ . 1 . ]" 1
572 1 87 LYS HA 1 90 ASP H 3.000 . 4.100 3.568 3.253 4.142 0.042 5 0 "[ . 1 . ]" 1
573 1 48 ALA HA 1 103 PHE QD 4.400 . 6.000 3.451 2.856 4.317 . 0 0 "[ . 1 . ]" 1
574 1 47 TYR QE 1 99 LEU HA 3.900 . 5.800 5.169 4.652 5.957 0.157 11 0 "[ . 1 . ]" 1
575 1 99 LEU HA 1 103 PHE QE 4.200 . 6.000 3.790 3.460 4.160 . 0 0 "[ . 1 . ]" 1
576 1 49 ASP HB2 1 69 LEU MD2 4.100 . 6.000 5.958 5.555 6.046 0.046 6 0 "[ . 1 . ]" 1
577 1 49 ASP HB2 1 69 LEU MD1 4.000 . 6.000 4.698 3.949 5.449 . 0 0 "[ . 1 . ]" 1
578 1 49 ASP HB3 1 69 LEU MD1 3.600 . 5.200 4.190 3.641 4.618 . 0 0 "[ . 1 . ]" 1
579 1 45 HIS HB2 1 69 LEU MD1 4.600 . 6.000 3.792 3.570 4.547 . 0 0 "[ . 1 . ]" 1
580 1 87 LYS HA 1 88 GLU H 3.200 . 4.500 3.554 3.397 3.614 . 0 0 "[ . 1 . ]" 1
581 1 92 VAL HA 1 96 LEU H 4.200 . 6.000 4.317 3.946 4.544 . 0 0 "[ . 1 . ]" 1
582 1 81 ASN HB3 1 82 GLU H 4.100 . 6.000 2.631 1.930 4.109 0.070 4 0 "[ . 1 . ]" 1
583 1 17 GLN HA 1 77 PHE QD 4.100 . 6.000 3.573 3.402 3.747 . 0 0 "[ . 1 . ]" 1
584 1 47 TYR QE 1 99 LEU MD2 3.600 . 5.200 2.519 1.893 3.584 0.107 18 0 "[ . 1 . ]" 1
585 1 47 TYR QE 1 99 LEU MD1 3.200 . 4.500 1.818 1.710 2.164 0.190 5 0 "[ . 1 . ]" 1
586 1 47 TYR QE 1 99 LEU HB2 2.900 . 3.900 2.487 2.067 3.318 . 0 0 "[ . 1 . ]" 1
587 1 103 PHE H 1 104 LYS HD2 4.000 . 6.000 5.198 3.934 6.129 0.129 19 0 "[ . 1 . ]" 1
588 1 102 LYS HB3 1 103 PHE QD 3.600 . 5.200 2.411 1.970 3.401 0.030 2 0 "[ . 1 . ]" 1
589 1 102 LYS HB2 1 103 PHE QD 3.300 . 4.700 3.688 1.795 4.499 0.105 15 0 "[ . 1 . ]" 1
590 1 102 LYS HB3 1 103 PHE QE 4.300 . 6.000 2.669 2.240 4.964 . 0 0 "[ . 1 . ]" 1
591 1 102 LYS HB2 1 103 PHE QE 3.700 . 5.400 3.644 2.730 4.275 . 0 0 "[ . 1 . ]" 1
592 1 47 TYR QE 1 99 LEU HB3 4.100 . 6.000 3.388 2.658 4.550 . 0 0 "[ . 1 . ]" 1
593 1 33 TRP HE1 1 43 ILE MD 3.500 . 6.500 6.400 5.991 6.593 0.093 7 0 "[ . 1 . ]" 1
594 1 40 ARG HB2 1 41 PHE HZ 3.700 . 5.400 5.247 3.226 5.531 0.131 5 0 "[ . 1 . ]" 1
595 1 40 ARG HB2 1 41 PHE QE 3.500 . 5.000 4.110 3.014 4.654 . 0 0 "[ . 1 . ]" 1
596 1 98 GLN HG3 1 99 LEU H 4.400 . 6.000 5.286 5.193 5.441 . 0 0 "[ . 1 . ]" 1
597 1 49 ASP HB3 1 69 LEU MD2 4.200 . 6.000 5.862 5.349 6.040 0.040 16 0 "[ . 1 . ]" 1
598 1 64 GLN HB3 1 65 LEU HA 4.300 . 6.000 5.643 5.380 5.788 . 0 0 "[ . 1 . ]" 1
599 1 47 TYR HB2 1 99 LEU HB3 3.700 . 5.400 5.473 4.618 5.622 0.222 18 0 "[ . 1 . ]" 1
600 1 33 TRP HB3 1 42 THR MG 2.700 . 3.600 2.034 1.767 2.531 0.033 7 0 "[ . 1 . ]" 1
601 1 34 ALA MB 1 41 PHE HB2 4.600 . 6.000 4.254 3.001 4.966 . 0 0 "[ . 1 . ]" 1
602 1 63 ILE MG 1 80 SER HB2 3.400 . 4.800 4.898 3.970 5.074 0.274 8 0 "[ . 1 . ]" 1
603 1 63 ILE MG 1 79 PHE HB3 3.700 . 5.400 4.103 2.508 5.540 0.140 5 0 "[ . 1 . ]" 1
604 1 63 ILE MG 1 79 PHE HB2 3.000 . 4.100 2.798 1.658 4.205 0.242 7 0 "[ . 1 . ]" 1
605 1 63 ILE MG 1 86 VAL HA 2.600 . 3.500 3.449 2.551 3.722 0.222 8 0 "[ . 1 . ]" 1
606 1 63 ILE MD 1 89 ARG HA 3.600 . 5.200 3.731 2.225 5.322 0.122 11 0 "[ . 1 . ]" 1
607 1 96 LEU HA 1 99 LEU HB3 3.600 . 5.300 5.425 5.184 5.577 0.277 4 0 "[ . 1 . ]" 1
608 1 96 LEU HA 1 99 LEU HB2 4.500 . 6.000 4.243 3.909 4.671 . 0 0 "[ . 1 . ]" 1
609 1 96 LEU HA 1 99 LEU MD1 2.100 . 2.700 1.699 1.648 1.746 . 0 0 "[ . 1 . ]" 1
610 1 96 LEU HA 1 99 LEU MD2 2.800 . 3.800 3.884 3.112 4.095 0.295 7 0 "[ . 1 . ]" 1
611 1 95 LEU HA 1 99 LEU MD2 3.500 . 5.000 4.496 3.992 5.034 0.034 3 0 "[ . 1 . ]" 1
612 1 95 LEU HA 1 99 LEU MD1 4.200 . 6.000 4.017 3.566 5.157 . 0 0 "[ . 1 . ]" 1
613 1 47 TYR HB2 1 103 PHE HB2 3.700 . 5.400 4.929 4.579 5.183 . 0 0 "[ . 1 . ]" 1
614 1 33 TRP HB3 1 43 ILE MD 3.400 . 4.900 2.705 1.818 3.237 0.082 9 0 "[ . 1 . ]" 1
615 1 33 TRP HB2 1 43 ILE MD 2.700 . 3.600 2.622 2.062 3.153 . 0 0 "[ . 1 . ]" 1
616 1 24 LEU MD2 1 33 TRP HB3 4.000 . 6.000 3.777 3.627 4.019 . 0 0 "[ . 1 . ]" 1
617 1 24 LEU MD2 1 33 TRP HB2 3.900 . 5.800 2.412 2.240 2.789 . 0 0 "[ . 1 . ]" 1
618 1 24 LEU MD2 1 31 ILE HB 4.800 . 6.000 4.722 4.248 4.915 . 0 0 "[ . 1 . ]" 1
619 1 17 GLN HB2 1 77 PHE HB3 3.800 . 5.600 5.644 5.398 5.766 0.166 12 0 "[ . 1 . ]" 1
620 1 24 LEU MD1 1 77 PHE HB2 3.400 . 4.900 2.918 2.693 3.084 . 0 0 "[ . 1 . ]" 1
621 1 15 VAL HB 1 24 LEU MD2 5.000 . 6.000 4.463 4.361 4.684 . 0 0 "[ . 1 . ]" 1
622 1 10 LEU HB3 1 11 ILE MG 3.700 . 5.400 5.012 4.463 5.283 . 0 0 "[ . 1 . ]" 1
623 1 15 VAL MG1 1 63 ILE HG12 6.000 . 6.000 5.863 4.811 6.148 0.148 6 0 "[ . 1 . ]" 1
624 1 62 LYS HB3 1 86 VAL H 4.000 . 6.250 6.495 6.262 6.684 0.434 9 0 "[ . 1 . ]" 1
625 1 99 LEU MD1 1 101 PRO HD2 3.300 . 4.700 4.427 4.112 4.769 0.069 8 0 "[ . 1 . ]" 1
626 1 69 LEU MD1 1 75 THR H 3.900 . 5.800 5.742 5.565 5.853 0.053 5 0 "[ . 1 . ]" 1
627 1 68 VAL H 1 69 LEU MD1 4.100 . 6.000 6.187 6.018 6.277 0.277 4 0 "[ . 1 . ]" 1
628 1 75 THR MG 1 77 PHE QE 3.400 . 4.900 3.654 3.342 4.037 . 0 0 "[ . 1 . ]" 1
629 1 75 THR MG 1 77 PHE QD 2.600 . 3.500 2.835 2.473 3.278 . 0 0 "[ . 1 . ]" 1
630 1 69 LEU MD1 1 75 THR HB 4.000 . 6.000 5.392 4.876 5.934 . 0 0 "[ . 1 . ]" 1
631 1 69 LEU MD1 1 75 THR HA 3.700 . 5.500 5.655 5.593 5.714 0.214 11 0 "[ . 1 . ]" 1
632 1 87 LYS HA 1 90 ASP HB3 3.000 . 4.100 2.162 1.870 2.874 0.030 18 0 "[ . 1 . ]" 1
633 1 91 ALA HA 1 94 ASP HB2 2.900 . 4.000 2.150 1.797 3.195 0.003 4 0 "[ . 1 . ]" 1
634 1 47 TYR HB2 1 100 LEU HA 4.800 . 6.000 5.794 5.121 6.058 0.058 11 0 "[ . 1 . ]" 1
635 1 66 GLN HG2 1 74 THR HB 3.100 . 4.300 4.277 4.089 4.348 0.048 16 0 "[ . 1 . ]" 1
636 1 5 SER HB3 1 6 GLU HB2 3.700 . 5.400 5.149 4.433 5.418 0.018 9 0 "[ . 1 . ]" 1
637 1 92 VAL HA 1 95 LEU HB2 3.400 . 4.900 3.338 2.324 3.876 . 0 0 "[ . 1 . ]" 1
638 1 16 ARG HB3 1 79 PHE HB2 4.200 . 6.000 5.781 5.338 6.148 0.148 9 0 "[ . 1 . ]" 1
639 1 91 ALA MB 1 92 VAL HA 3.500 . 5.100 3.779 3.677 3.886 . 0 0 "[ . 1 . ]" 1
640 1 48 ALA MB 1 103 PHE HB3 2.000 . 2.500 2.510 2.157 2.622 0.122 1 0 "[ . 1 . ]" 1
641 1 92 VAL HA 1 95 LEU HG 3.400 . 4.800 3.226 2.028 5.004 0.204 16 0 "[ . 1 . ]" 1
642 1 50 ILE HA 1 51 LYS HB3 4.200 . 6.000 4.985 4.553 5.279 . 0 0 "[ . 1 . ]" 1
643 1 99 LEU HA 1 102 LYS HB3 3.400 . 4.800 3.536 3.054 4.808 0.008 1 0 "[ . 1 . ]" 1
644 1 88 GLU HA 1 91 ALA MB 2.800 . 3.800 3.127 2.540 3.846 0.046 11 0 "[ . 1 . ]" 1
645 1 85 ALA HA 1 88 GLU HB3 4.600 2.900 6.300 6.528 6.380 6.606 0.306 11 0 "[ . 1 . ]" 1
646 1 94 ASP HA 1 97 GLN HB2 4.000 . 6.000 5.160 3.677 6.107 0.107 8 0 "[ . 1 . ]" 1
647 1 94 ASP HA 1 97 GLN HB3 4.000 . 6.000 5.480 4.851 6.115 0.115 16 0 "[ . 1 . ]" 1
648 1 6 GLU HA 1 7 GLU HG3 3.200 . 4.500 3.885 3.333 4.476 . 0 0 "[ . 1 . ]" 1
649 1 6 GLU HA 1 7 GLU HB2 3.500 . 5.100 4.819 4.569 5.022 . 0 0 "[ . 1 . ]" 1
650 1 47 TYR HA 1 50 ILE HB 3.700 . 5.400 4.025 2.540 5.174 . 0 0 "[ . 1 . ]" 1
651 1 16 ARG HB2 1 79 PHE HA 4.800 . 6.000 4.185 3.504 4.862 . 0 0 "[ . 1 . ]" 1
652 1 28 ALA MB 1 29 GLU HA 3.100 . 4.300 3.741 3.648 3.876 . 0 0 "[ . 1 . ]" 1
653 1 60 LYS HB2 1 63 ILE HA 3.000 . 4.100 4.237 4.050 4.462 0.362 10 0 "[ . 1 . ]" 1
654 1 15 VAL HA 1 21 ASP HB3 4.100 . 6.000 5.560 4.942 6.229 0.229 4 0 "[ . 1 . ]" 1
655 1 93 LYS HA 1 96 LEU HB2 3.900 . 5.800 2.547 2.040 3.014 . 0 0 "[ . 1 . ]" 1
656 1 56 SER HA 1 57 PRO HB3 4.500 . 6.000 6.003 5.485 6.168 0.168 11 0 "[ . 1 . ]" 1
657 1 10 LEU HA 1 11 ILE MG 3.900 . 5.800 3.145 3.038 3.328 . 0 0 "[ . 1 . ]" 1
658 1 11 ILE MG 1 12 VAL HA 3.500 2.800 4.200 4.183 3.868 4.326 0.126 7 0 "[ . 1 . ]" 1
659 1 25 TYR HB3 1 32 ALA MB 3.700 . 5.400 2.501 2.153 2.873 . 0 0 "[ . 1 . ]" 1
660 1 25 TYR HB2 1 32 ALA MB 2.900 . 3.900 1.987 1.866 2.271 0.034 10 0 "[ . 1 . ]" 1
661 1 47 TYR HB3 1 103 PHE HB3 5.500 . 6.000 3.888 3.336 4.524 . 0 0 "[ . 1 . ]" 1
662 1 46 MET HB3 1 49 ASP HB3 4.700 . 6.000 4.007 3.567 5.059 . 0 0 "[ . 1 . ]" 1
663 1 45 HIS HB2 1 46 MET HB3 4.200 . 6.000 6.022 5.883 6.081 0.081 6 0 "[ . 1 . ]" 1
664 1 66 GLN HG3 1 76 ASN HB3 2.800 . 3.700 2.978 2.427 3.672 . 0 0 "[ . 1 . ]" 1
665 1 27 MET HG2 1 29 GLU HB3 2.600 . 3.500 3.453 2.887 3.649 0.149 9 0 "[ . 1 . ]" 1
666 1 48 ALA MB 1 103 PHE HB2 3.600 . 5.200 2.977 2.646 3.266 . 0 0 "[ . 1 . ]" 1
667 1 90 ASP HB3 1 91 ALA MB 4.200 . 6.000 4.041 3.618 4.363 . 0 0 "[ . 1 . ]" 1
668 1 50 ILE MG 1 69 LEU HA 3.700 . 5.400 2.559 2.027 3.509 . 0 0 "[ . 1 . ]" 1
669 1 43 ILE MD 1 44 SER HA 3.400 . 4.800 4.079 2.456 5.008 0.208 8 0 "[ . 1 . ]" 1
670 1 32 ALA HA 1 43 ILE MD 3.400 . 4.800 3.755 2.011 4.723 . 0 0 "[ . 1 . ]" 1
671 1 67 LEU HA 1 68 VAL MG2 4.500 . 6.000 3.185 3.061 3.320 . 0 0 "[ . 1 . ]" 1
672 1 11 ILE HA 1 12 VAL MG2 4.400 . 6.000 3.453 3.006 5.035 . 0 0 "[ . 1 . ]" 1
673 1 55 ILE HA 1 65 LEU MD1 4.400 . 6.000 5.510 5.153 6.075 0.075 5 0 "[ . 1 . ]" 1
674 1 8 VAL MG2 1 25 TYR HA 4.100 2.500 5.700 5.397 4.287 5.773 0.073 18 0 "[ . 1 . ]" 1
675 1 55 ILE MG 1 65 LEU HA 3.200 . 4.500 3.144 1.927 4.514 0.014 5 0 "[ . 1 . ]" 1
676 1 15 VAL MG2 1 24 LEU HA 4.600 . 6.000 3.979 3.507 4.126 . 0 0 "[ . 1 . ]" 1
677 1 15 VAL MG1 1 24 LEU HA 5.000 . 6.000 4.325 4.049 5.171 . 0 0 "[ . 1 . ]" 1
678 1 15 VAL MG1 1 77 PHE HA 3.900 . 5.800 3.653 3.471 3.840 . 0 0 "[ . 1 . ]" 1
679 1 32 ALA MB 1 44 SER HA 3.200 . 4.500 2.874 2.680 3.071 . 0 0 "[ . 1 . ]" 1
680 1 12 VAL MG2 1 13 LYS HA 3.700 . 5.400 4.858 4.009 5.425 0.025 16 0 "[ . 1 . ]" 1
681 1 75 THR MG 1 76 ASN HA 3.600 . 5.200 4.257 3.743 4.876 . 0 0 "[ . 1 . ]" 1
682 1 15 VAL MG2 1 23 ALA HA 4.200 . 6.000 3.139 2.394 3.602 . 0 0 "[ . 1 . ]" 1
683 1 15 VAL MG1 1 23 ALA HA 4.400 . 6.000 4.573 4.386 5.160 . 0 0 "[ . 1 . ]" 1
684 1 15 VAL MG2 1 79 PHE HA 2.900 . 3.900 3.480 3.095 4.050 0.150 2 0 "[ . 1 . ]" 1
685 1 15 VAL MG1 1 79 PHE HA 3.200 . 4.400 3.352 2.301 3.788 . 0 0 "[ . 1 . ]" 1
686 1 13 LYS HA 1 15 VAL MG2 4.500 . 6.000 4.811 4.100 5.274 . 0 0 "[ . 1 . ]" 1
687 1 7 GLU HA 1 8 VAL MG1 4.000 2.100 5.500 3.460 3.134 3.810 . 0 0 "[ . 1 . ]" 1
688 1 68 VAL MG1 1 74 THR HB 4.100 . 6.000 4.046 3.831 4.203 . 0 0 "[ . 1 . ]" 1
689 1 47 TYR HA 1 67 LEU MD1 2.600 . 3.400 3.428 3.022 3.542 0.142 15 0 "[ . 1 . ]" 1
690 1 24 LEU HA 1 42 THR MG 4.300 . 6.000 5.706 5.509 6.128 0.128 4 0 "[ . 1 . ]" 1
691 1 32 ALA HA 1 42 THR MG 4.400 . 6.000 5.164 4.780 5.581 . 0 0 "[ . 1 . ]" 1
692 1 11 ILE HG12 1 25 TYR HA 3.900 . 5.800 2.984 2.173 4.029 . 0 0 "[ . 1 . ]" 1
693 1 34 ALA HA 1 42 THR MG 3.200 . 4.500 2.726 2.472 2.961 . 0 0 "[ . 1 . ]" 1
694 1 51 LYS HB3 1 70 HIS HA 3.400 . 4.900 3.256 2.801 3.789 . 0 0 "[ . 1 . ]" 1
695 1 15 VAL MG1 1 16 ARG HA 4.900 . 6.000 3.448 3.298 3.817 . 0 0 "[ . 1 . ]" 1
696 1 31 ILE HA 1 32 ALA MB 4.800 . 6.000 3.905 3.852 3.953 . 0 0 "[ . 1 . ]" 1
697 1 24 LEU MD2 1 31 ILE HA 4.500 . 6.000 4.345 4.120 4.447 . 0 0 "[ . 1 . ]" 1
698 1 69 LEU MD1 1 74 THR HA 3.700 . 5.400 5.173 4.896 5.433 0.033 11 0 "[ . 1 . ]" 1
699 1 24 LEU MD2 1 33 TRP HA 3.900 . 5.800 2.120 1.990 2.568 0.010 10 0 "[ . 1 . ]" 1
700 1 33 TRP HA 1 34 ALA MB 3.600 . 5.200 3.827 3.774 3.900 . 0 0 "[ . 1 . ]" 1
701 1 51 LYS HB2 1 70 HIS HA 3.000 . 4.100 4.198 4.133 4.260 0.160 11 0 "[ . 1 . ]" 1
702 1 9 LEU HB3 1 27 MET HA 3.600 . 5.200 3.833 3.369 4.146 . 0 0 "[ . 1 . ]" 1
703 1 69 LEU HG 1 74 THR HA 4.400 . 6.000 4.271 3.814 5.081 . 0 0 "[ . 1 . ]" 1
704 1 48 ALA MB 1 49 ASP HA 4.100 . 6.000 3.869 3.706 3.948 . 0 0 "[ . 1 . ]" 1
705 1 41 PHE HA 1 42 THR MG 4.000 . 6.000 4.589 4.254 4.900 . 0 0 "[ . 1 . ]" 1
706 1 14 LYS HB2 1 84 THR HB 4.100 . 6.000 5.868 5.002 6.113 0.113 11 0 "[ . 1 . ]" 1
707 1 93 LYS HB2 1 96 LEU MD1 2.600 . 3.400 3.280 2.758 3.514 0.114 11 0 "[ . 1 . ]" 1
708 1 8 VAL QG 1 27 MET HB2 3.500 3.000 4.000 3.103 2.863 3.551 0.137 6 0 "[ . 1 . ]" 1
709 1 69 LEU HG 1 73 ASP HB3 3.700 . 5.400 2.066 1.852 3.324 0.148 4 0 "[ . 1 . ]" 1
710 1 80 SER HB2 1 81 ASN H 3.800 . 5.600 4.193 3.297 4.660 . 0 0 "[ . 1 . ]" 1
711 1 80 SER HB3 1 81 ASN H 2.900 . 4.000 3.920 2.186 4.295 0.295 5 0 "[ . 1 . ]" 1
712 1 48 ALA HA 1 103 PHE HB3 4.300 . 6.000 3.228 2.479 3.727 . 0 0 "[ . 1 . ]" 1
713 1 48 ALA HA 1 103 PHE HB2 3.000 . 4.100 2.494 2.241 2.966 . 0 0 "[ . 1 . ]" 1
714 1 50 ILE HA 1 69 LEU HA 2.300 . 3.000 1.839 1.758 2.132 . 0 0 "[ . 1 . ]" 1
715 1 68 VAL HA 1 74 THR MG 3.000 . 4.100 2.719 2.423 2.918 . 0 0 "[ . 1 . ]" 1
716 1 12 VAL HB 1 23 ALA HA 4.300 2.500 6.100 5.044 4.281 6.193 0.093 16 0 "[ . 1 . ]" 1
717 1 15 VAL HB 1 23 ALA HA 3.700 . 5.400 3.032 2.763 3.918 . 0 0 "[ . 1 . ]" 1
718 1 47 TYR H 1 48 ALA H 3.000 . 4.100 3.157 3.031 3.259 . 0 0 "[ . 1 . ]" 1
719 1 96 LEU H 1 97 GLN HE22 3.600 . 5.200 3.875 2.464 4.565 . 0 0 "[ . 1 . ]" 1
720 1 92 VAL HA 1 95 LEU MD2 2.900 . 3.900 3.627 2.856 4.279 0.379 2 0 "[ . 1 . ]" 1
721 1 96 LEU HB3 1 97 GLN HE22 3.600 . 5.200 5.141 4.292 5.480 0.280 7 0 "[ . 1 . ]" 1
722 1 96 LEU HB2 1 97 GLN HE22 3.900 . 5.800 3.618 2.895 4.359 . 0 0 "[ . 1 . ]" 1
723 1 96 LEU MD1 1 97 GLN HE22 4.500 . 6.000 5.196 4.585 5.904 . 0 0 "[ . 1 . ]" 1
724 1 57 PRO HB2 1 64 GLN H 4.300 . 6.000 3.272 3.161 3.442 . 0 0 "[ . 1 . ]" 1
725 1 57 PRO HG2 1 64 GLN H 2.400 . 3.400 3.596 3.446 3.751 0.351 5 0 "[ . 1 . ]" 1
726 1 57 PRO HG3 1 64 GLN H 3.300 . 4.600 2.244 2.086 2.523 . 0 0 "[ . 1 . ]" 1
727 1 57 PRO HD2 1 64 GLN H 4.700 . 6.000 4.819 4.611 5.116 . 0 0 "[ . 1 . ]" 1
728 1 57 PRO HD3 1 64 GLN H 5.500 . 6.000 3.881 3.517 4.484 . 0 0 "[ . 1 . ]" 1
729 1 63 ILE HB 1 79 PHE H 4.600 . 6.000 5.372 4.668 5.690 . 0 0 "[ . 1 . ]" 1
730 1 67 LEU H 1 68 VAL MG2 3.900 2.500 5.300 3.871 3.792 3.962 . 0 0 "[ . 1 . ]" 1
731 1 67 LEU H 1 69 LEU MD1 5.000 3.000 7.000 7.203 7.138 7.306 0.306 6 0 "[ . 1 . ]" 1
732 1 67 LEU H 1 69 LEU MD2 4.600 . 6.000 5.021 4.918 5.169 . 0 0 "[ . 1 . ]" 1
733 1 69 LEU MD2 1 74 THR HA 4.600 . 6.000 2.739 2.499 2.937 . 0 0 "[ . 1 . ]" 1
734 1 8 VAL MG1 1 27 MET HA 4.200 . 6.000 3.755 3.170 4.527 . 0 0 "[ . 1 . ]" 1
735 1 80 SER HA 1 81 ASN HA 5.000 . 6.000 4.586 4.368 5.070 . 0 0 "[ . 1 . ]" 1
736 1 95 LEU MD1 1 98 GLN H 5.300 . 6.000 5.553 4.356 6.171 0.171 10 0 "[ . 1 . ]" 1
737 1 98 GLN H 1 99 LEU MD1 5.100 . 6.000 3.017 2.794 3.612 . 0 0 "[ . 1 . ]" 1
738 1 95 LEU MD1 1 98 GLN HE21 3.700 . 5.400 4.388 2.531 5.403 0.003 13 0 "[ . 1 . ]" 1
739 1 98 GLN H 1 99 LEU HB3 5.200 . 6.000 5.744 5.472 5.857 . 0 0 "[ . 1 . ]" 1
740 1 98 GLN H 1 99 LEU HG 4.100 . 6.000 3.530 3.059 3.697 . 0 0 "[ . 1 . ]" 1
741 1 98 GLN H 1 99 LEU MD2 2.700 . 5.600 4.878 4.421 4.972 . 0 0 "[ . 1 . ]" 1
742 1 96 LEU HA 1 98 GLN H 3.700 . 5.400 3.702 3.627 3.823 . 0 0 "[ . 1 . ]" 1
743 1 20 GLN HA 1 33 TRP HH2 4.500 . 6.000 4.626 4.417 4.790 . 0 0 "[ . 1 . ]" 1
744 1 78 HIS HE1 1 79 PHE HB2 3.500 . 5.000 4.771 4.253 5.038 0.038 16 0 "[ . 1 . ]" 1
745 1 62 LYS HB2 1 78 HIS HE1 4.000 . 6.000 3.427 1.894 4.752 0.106 3 0 "[ . 1 . ]" 1
746 1 62 LYS HA 1 78 HIS HE1 4.400 . 6.000 5.655 4.322 6.325 0.325 13 0 "[ . 1 . ]" 1
747 1 50 ILE H 1 69 LEU MD1 4.400 . 6.000 4.905 4.055 5.499 . 0 0 "[ . 1 . ]" 1
748 1 8 VAL HB 1 28 ALA H 3.900 . 5.800 4.211 3.644 5.100 . 0 0 "[ . 1 . ]" 1
749 1 6 GLU HA 1 7 GLU HG2 2.900 . 3.900 3.661 3.229 3.902 0.002 7 0 "[ . 1 . ]" 1
750 1 6 GLU HG3 1 7 GLU H 3.200 . 4.500 4.402 1.865 4.608 0.108 9 0 "[ . 1 . ]" 1
751 1 86 VAL HA 1 87 LYS H 3.600 . 5.200 3.192 2.884 3.606 . 0 0 "[ . 1 . ]" 1
752 1 85 ALA HA 1 86 VAL H 3.400 . 4.900 2.625 2.199 3.316 . 0 0 "[ . 1 . ]" 1
753 1 90 ASP H 1 91 ALA HA 4.700 . 6.000 5.398 5.202 5.603 . 0 0 "[ . 1 . ]" 1
754 1 22 GLY HA3 1 33 TRP HH2 3.600 . 5.200 4.180 4.098 4.387 . 0 0 "[ . 1 . ]" 1
755 1 2 ALA HA 1 3 THR H 2.900 . 4.000 3.000 2.183 3.587 . 0 0 "[ . 1 . ]" 1
756 1 15 VAL MG1 1 77 PHE QD 3.300 . 4.700 1.964 1.737 2.118 0.163 2 0 "[ . 1 . ]" 1
757 1 28 ALA HA 1 47 TYR QD 3.600 . 5.200 4.896 4.001 5.329 0.129 12 0 "[ . 1 . ]" 1
758 1 47 TYR QD 1 100 LEU HA 4.400 . 6.000 4.421 3.689 4.734 . 0 0 "[ . 1 . ]" 1
759 1 33 TRP HE1 1 42 THR HB 5.500 2.400 6.500 6.761 6.645 6.836 0.336 2 0 "[ . 1 . ]" 1
760 1 33 TRP HE1 1 34 ALA MB 4.500 . 6.000 5.633 5.306 5.922 . 0 0 "[ . 1 . ]" 1
761 1 33 TRP HE1 1 42 THR MG 3.100 . 4.800 4.941 4.817 5.051 0.251 19 0 "[ . 1 . ]" 1
762 1 57 PRO HA 1 64 GLN H 2.600 . 3.400 3.436 3.180 3.600 0.200 6 0 "[ . 1 . ]" 1
763 1 21 ASP HA 1 33 TRP HZ2 3.200 . 4.400 3.754 3.346 3.918 . 0 0 "[ . 1 . ]" 1
764 1 16 ARG HA 1 33 TRP HZ2 3.500 . 5.100 5.143 4.740 5.268 0.168 10 0 "[ . 1 . ]" 1
765 1 33 TRP HZ2 1 77 PHE HZ 3.300 2.300 4.300 4.314 4.130 4.456 0.156 7 0 "[ . 1 . ]" 1
766 1 22 GLY HA3 1 33 TRP HZ2 3.200 . 4.500 2.107 1.985 2.493 . 0 0 "[ . 1 . ]" 1
767 1 22 GLY HA2 1 33 TRP HZ2 4.100 . 6.000 3.508 3.416 3.704 . 0 0 "[ . 1 . ]" 1
768 1 103 PHE QD 1 104 LYS HD2 3.100 . 4.300 3.597 1.940 4.388 0.088 11 0 "[ . 1 . ]" 1
769 1 27 MET H 1 31 ILE HB 4.700 . 6.000 5.291 4.797 5.548 . 0 0 "[ . 1 . ]" 1
770 1 12 VAL H 1 15 VAL MG2 5.000 . 6.000 4.048 3.665 4.362 . 0 0 "[ . 1 . ]" 1
771 1 48 ALA H 1 103 PHE HB2 3.000 . 4.100 4.170 4.046 4.251 0.151 2 0 "[ . 1 . ]" 1
772 1 15 VAL MG1 1 77 PHE QE 4.400 . 6.000 2.077 1.894 2.863 0.106 8 0 "[ . 1 . ]" 1
773 1 47 TYR QD 1 99 LEU HB2 2.700 . 3.600 2.623 2.315 3.126 . 0 0 "[ . 1 . ]" 1
774 1 47 TYR QD 1 99 LEU MD2 3.300 . 4.600 3.543 3.122 4.037 . 0 0 "[ . 1 . ]" 1
775 1 34 ALA H 1 77 PHE HZ 4.700 . 6.000 4.566 4.336 4.830 . 0 0 "[ . 1 . ]" 1
776 1 69 LEU HB3 1 73 ASP H 3.400 . 4.800 3.798 3.626 3.947 . 0 0 "[ . 1 . ]" 1
777 1 27 MET H 1 32 ALA H 4.000 . 6.000 4.114 3.692 4.759 . 0 0 "[ . 1 . ]" 1
778 1 8 VAL MG2 1 27 MET HA 3.500 . 5.000 3.507 1.985 4.508 0.015 8 0 "[ . 1 . ]" 1
779 1 26 LEU MD1 1 27 MET HA 3.700 . 5.500 5.079 3.071 5.623 0.123 17 0 "[ . 1 . ]" 1
780 1 27 MET HA 1 28 ALA MB 4.400 . 6.000 4.119 4.085 4.190 . 0 0 "[ . 1 . ]" 1
781 1 14 LYS HA 1 15 VAL MG2 4.700 . 6.000 4.141 3.687 4.357 . 0 0 "[ . 1 . ]" 1
782 1 97 GLN HE21 1 98 GLN HB3 3.700 . 5.400 5.074 3.708 5.521 0.121 3 0 "[ . 1 . ]" 1
783 1 79 PHE HZ 1 92 VAL MG1 3.700 . 5.400 2.188 1.750 4.687 0.250 13 0 "[ . 1 . ]" 1
784 1 47 TYR HB3 1 103 PHE QE 3.700 . 5.400 2.724 2.484 2.798 . 0 0 "[ . 1 . ]" 1
785 1 99 LEU HB3 1 103 PHE QE 4.000 . 6.000 2.660 1.981 3.357 0.019 11 0 "[ . 1 . ]" 1
786 1 47 TYR QE 1 100 LEU HA 2.300 . 4.900 5.102 4.934 5.272 0.372 10 0 "[ . 1 . ]" 1
787 1 100 LEU HA 1 103 PHE H 3.700 . 5.500 3.805 3.563 3.989 . 0 0 "[ . 1 . ]" 1
788 1 99 LEU HA 1 103 PHE H 5.200 . 6.000 5.172 4.749 5.578 . 0 0 "[ . 1 . ]" 1
789 1 100 LEU HA 1 102 LYS H 3.800 . 5.600 3.790 3.452 4.336 . 0 0 "[ . 1 . ]" 1
790 1 47 TYR QD 1 99 LEU HA 4.600 . 6.000 5.048 4.759 5.674 . 0 0 "[ . 1 . ]" 1
791 1 47 TYR QD 1 96 LEU HA 5.300 . 6.000 5.485 4.584 6.083 0.083 18 0 "[ . 1 . ]" 1
792 1 23 ALA HA 1 25 TYR QE 5.200 . 6.000 5.956 5.698 6.125 0.125 3 0 "[ . 1 . ]" 1
793 1 25 TYR QE 1 33 TRP HA 4.800 . 6.000 5.945 5.430 6.109 0.109 7 0 "[ . 1 . ]" 1
794 1 34 ALA MB 1 41 PHE QD 2.800 . 3.800 3.168 2.742 3.692 . 0 0 "[ . 1 . ]" 1
795 1 29 GLU HG3 1 46 MET H 4.900 . 6.000 6.073 5.978 6.135 0.135 13 0 "[ . 1 . ]" 1
796 1 65 LEU H 1 77 PHE HB3 4.000 . 6.000 4.095 3.829 4.288 . 0 0 "[ . 1 . ]" 1
797 1 65 LEU H 1 77 PHE QD 4.600 . 6.000 5.561 5.414 5.773 . 0 0 "[ . 1 . ]" 1
798 1 33 TRP H 1 77 PHE QE 4.500 . 6.000 5.100 4.603 5.363 . 0 0 "[ . 1 . ]" 1
799 1 10 LEU MD1 1 11 ILE H 4.100 . 6.000 2.834 1.982 4.235 0.018 2 0 "[ . 1 . ]" 1
800 1 9 LEU HG 1 10 LEU H 2.700 . 3.600 3.477 2.992 3.643 0.043 5 0 "[ . 1 . ]" 1
801 1 9 LEU HG 1 10 LEU HB3 3.300 2.600 4.000 3.251 2.744 4.021 0.021 14 0 "[ . 1 . ]" 1
802 1 14 LYS HD2 1 15 VAL H 2.800 . 3.700 3.538 3.013 3.792 0.092 6 0 "[ . 1 . ]" 1
803 1 17 GLN HG2 1 33 TRP HZ2 3.300 . 4.700 3.403 3.187 4.155 . 0 0 "[ . 1 . ]" 1
804 1 20 GLN HB3 1 33 TRP HH2 3.400 . 4.800 2.090 1.847 2.758 0.153 10 0 "[ . 1 . ]" 1
805 1 20 GLN HG3 1 21 ASP H 3.300 . 4.700 3.673 1.841 4.745 0.059 10 0 "[ . 1 . ]" 1
806 1 12 VAL MG2 1 24 LEU H 3.900 . 5.800 2.984 1.938 5.427 0.062 9 0 "[ . 1 . ]" 1
807 1 31 ILE HG13 1 47 TYR QD 4.700 . 6.000 4.289 3.703 4.670 . 0 0 "[ . 1 . ]" 1
808 1 31 ILE HG12 1 47 TYR QD 3.900 . 5.800 4.624 3.883 5.672 . 0 0 "[ . 1 . ]" 1
809 1 81 ASN HD21 1 84 THR MG 3.100 . 4.300 3.588 1.919 4.408 0.108 19 0 "[ . 1 . ]" 1
810 1 30 ARG HB3 1 45 HIS HD2 5.300 . 6.000 6.069 5.984 6.188 0.188 6 0 "[ . 1 . ]" 1
811 1 69 LEU MD2 1 73 ASP HA 4.800 . 6.000 4.569 4.026 4.833 . 0 0 "[ . 1 . ]" 1
812 1 51 LYS HB3 1 69 LEU HA 4.100 . 6.000 5.305 4.847 5.750 . 0 0 "[ . 1 . ]" 1
813 1 86 VAL HB 1 87 LYS HA 3.500 . 5.000 4.342 3.996 4.532 . 0 0 "[ . 1 . ]" 1
814 1 99 LEU HB3 1 101 PRO HD2 3.700 . 5.400 5.112 4.960 5.330 . 0 0 "[ . 1 . ]" 1
815 1 53 GLN HA 1 67 LEU MD1 3.000 . 4.100 3.636 2.852 4.150 0.050 11 0 "[ . 1 . ]" 1
816 1 49 ASP HB2 1 70 HIS HD2 3.800 . 5.600 5.092 4.549 5.611 0.011 7 0 "[ . 1 . ]" 1
817 1 63 ILE HG12 1 89 ARG HA 4.500 . 6.000 4.603 3.868 6.044 0.044 16 0 "[ . 1 . ]" 1
818 1 99 LEU HB2 1 101 PRO HD2 4.500 . 6.000 4.539 4.347 4.681 . 0 0 "[ . 1 . ]" 1
819 1 92 VAL HA 1 95 LEU MD1 3.900 . 5.800 3.337 1.849 5.672 0.151 2 0 "[ . 1 . ]" 1
820 1 31 ILE HB 1 77 PHE QD 4.400 . 6.000 5.633 5.448 5.803 . 0 0 "[ . 1 . ]" 1
821 1 17 GLN HE21 1 19 LYS HB3 4.300 . 6.000 4.540 2.423 5.645 . 0 0 "[ . 1 . ]" 1
822 1 34 ALA MB 1 41 PHE QE 3.900 . 5.800 4.312 3.856 5.559 . 0 0 "[ . 1 . ]" 1
823 1 65 LEU MD2 1 77 PHE QE 3.700 . 5.400 5.363 5.139 5.542 0.142 14 0 "[ . 1 . ]" 1
824 1 65 LEU MD1 1 77 PHE QE 4.200 2.500 5.900 5.714 5.183 6.002 0.102 5 0 "[ . 1 . ]" 1
825 1 25 TYR QE 1 34 ALA MB 3.200 . 4.500 2.950 2.024 3.766 . 0 0 "[ . 1 . ]" 1
826 1 40 ARG HB2 1 41 PHE QD 4.200 . 6.000 3.438 1.988 4.326 0.012 11 0 "[ . 1 . ]" 1
827 1 40 ARG HB3 1 41 PHE QD 4.100 . 6.000 4.511 2.983 5.374 . 0 0 "[ . 1 . ]" 1
828 1 65 LEU HA 1 79 PHE QE 4.500 . 6.000 6.073 5.774 6.199 0.199 6 0 "[ . 1 . ]" 1
829 1 54 LYS H 1 66 GLN H 3.100 . 4.050 3.242 2.881 3.486 . 0 0 "[ . 1 . ]" 1
830 1 56 SER H 1 64 GLN H 4.700 . 6.000 5.316 5.093 5.558 . 0 0 "[ . 1 . ]" 1
831 1 63 ILE MG 1 90 ASP H 3.200 . 4.500 3.297 2.317 4.515 0.015 9 0 "[ . 1 . ]" 1
832 1 63 ILE MD 1 90 ASP H 3.700 . 5.400 3.293 2.473 5.300 . 0 0 "[ . 1 . ]" 1
833 1 9 LEU MD1 1 28 ALA H 4.400 . 6.000 5.481 5.131 5.802 . 0 0 "[ . 1 . ]" 1
834 1 8 VAL MG2 1 11 ILE H 3.600 . 5.200 4.762 4.359 5.216 0.016 9 0 "[ . 1 . ]" 1
835 1 34 ALA MB 1 41 PHE H 3.700 . 5.400 3.581 2.967 4.193 . 0 0 "[ . 1 . ]" 1
836 1 29 GLU HB3 1 30 ARG HE 2.500 . 3.300 2.700 2.067 3.183 . 0 0 "[ . 1 . ]" 1
837 1 17 GLN H 1 22 GLY H 4.900 . 6.000 4.250 4.037 4.661 . 0 0 "[ . 1 . ]" 1
838 1 15 VAL HA 1 16 ARG HA 6.000 . 6.000 4.378 4.325 4.471 . 0 0 "[ . 1 . ]" 1
839 1 15 VAL MG2 1 31 ILE MG 3.700 . 6.900 5.778 5.288 6.221 . 0 0 "[ . 1 . ]" 1
840 1 15 VAL MG2 1 24 LEU MD1 2.200 . 2.800 2.509 2.293 2.828 0.028 9 0 "[ . 1 . ]" 1
841 1 15 VAL MG1 1 24 LEU MD1 2.200 . 2.800 1.824 1.792 2.005 . 0 0 "[ . 1 . ]" 1
842 1 78 HIS HE1 1 79 PHE HB3 3.400 . 5.300 5.503 5.238 5.780 0.480 7 0 "[ . 1 . ]" 1
843 1 57 PRO HB2 1 63 ILE HB 2.300 . 3.000 3.269 3.111 3.486 0.486 9 0 "[ . 1 . ]" 1
844 1 15 VAL MG2 1 79 PHE HB2 4.400 . 6.000 4.697 4.178 5.414 . 0 0 "[ . 1 . ]" 1
845 1 34 ALA MB 1 41 PHE HB3 5.100 . 6.000 3.848 1.881 5.042 0.019 18 0 "[ . 1 . ]" 1
846 1 63 ILE HG12 1 79 PHE H 4.200 . 6.000 3.459 2.145 4.366 . 0 0 "[ . 1 . ]" 1
847 1 11 ILE HB 1 26 LEU H 4.700 . 6.000 3.421 2.627 4.333 . 0 0 "[ . 1 . ]" 1
848 1 11 ILE HG12 1 26 LEU H 5.100 . 6.000 4.825 4.041 6.011 0.011 9 0 "[ . 1 . ]" 1
849 1 25 TYR H 1 31 ILE HA 4.800 . 6.000 5.105 4.447 5.532 . 0 0 "[ . 1 . ]" 1
850 1 11 ILE MG 1 26 LEU H 4.500 . 6.000 4.425 3.886 5.139 . 0 0 "[ . 1 . ]" 1
851 1 11 ILE MD 1 26 LEU H 6.000 . 6.000 5.346 3.642 6.040 0.040 9 0 "[ . 1 . ]" 1
852 1 27 MET HB2 1 30 ARG H 4.700 . 6.000 4.050 3.640 4.568 . 0 0 "[ . 1 . ]" 1
853 1 21 ASP HB3 1 81 ASN HD22 4.300 . 6.000 6.156 6.034 6.314 0.314 6 0 "[ . 1 . ]" 1
854 1 47 TYR QD 1 48 ALA MB 5.100 . 6.000 5.627 5.520 5.708 . 0 0 "[ . 1 . ]" 1
855 1 40 ARG HB3 1 41 PHE QE 3.900 . 5.800 4.761 2.411 5.830 0.030 15 0 "[ . 1 . ]" 1
856 1 97 GLN HB2 1 99 LEU H 3.900 . 5.800 5.697 5.366 5.871 0.071 14 0 "[ . 1 . ]" 1
857 1 49 ASP HA 1 70 HIS H 4.100 . 6.000 4.876 4.237 5.596 . 0 0 "[ . 1 . ]" 1
858 1 31 ILE MG 1 77 PHE QD 3.100 . 4.300 3.100 2.852 3.333 . 0 0 "[ . 1 . ]" 1
859 1 31 ILE MG 1 77 PHE QE 3.000 . 4.200 3.336 3.190 3.459 . 0 0 "[ . 1 . ]" 1
860 1 63 ILE MG 1 79 PHE QE 4.800 . 6.000 4.881 3.688 5.856 . 0 0 "[ . 1 . ]" 1
861 1 63 ILE MD 1 79 PHE QE 3.900 . 5.800 3.705 2.400 5.059 . 0 0 "[ . 1 . ]" 1
862 1 48 ALA H 1 50 ILE H 4.500 . 6.000 3.764 3.623 3.904 . 0 0 "[ . 1 . ]" 1
863 1 12 VAL H 1 25 TYR HA 3.100 . 4.300 2.992 2.610 3.494 . 0 0 "[ . 1 . ]" 1
864 1 101 PRO HB2 1 102 LYS H 2.800 . 3.800 3.153 2.555 3.568 . 0 0 "[ . 1 . ]" 1
865 1 98 GLN H 1 99 LEU HA 4.700 . 6.000 4.903 4.786 5.000 . 0 0 "[ . 1 . ]" 1
866 1 103 PHE H 1 104 LYS HA 4.700 . 6.000 4.823 4.465 5.218 . 0 0 "[ . 1 . ]" 1
867 1 98 GLN H 1 100 LEU H 4.100 . 6.000 3.453 3.314 3.709 . 0 0 "[ . 1 . ]" 1
868 1 64 GLN H 1 79 PHE QD 4.600 . 6.000 5.080 4.728 5.386 . 0 0 "[ . 1 . ]" 1
869 1 103 PHE H 1 104 LYS HD3 3.900 . 5.800 5.262 3.604 5.907 0.107 1 0 "[ . 1 . ]" 1
870 1 97 GLN HE21 1 98 GLN HB2 3.000 . 4.100 3.821 2.449 4.206 0.106 1 0 "[ . 1 . ]" 1
871 1 24 LEU MD1 1 77 PHE QD 3.100 . 4.300 2.211 2.155 2.242 . 0 0 "[ . 1 . ]" 1
872 1 24 LEU MD1 1 77 PHE QE 3.900 . 5.800 2.976 2.852 3.141 . 0 0 "[ . 1 . ]" 1
873 1 100 LEU H 1 101 PRO HB3 4.400 . 6.000 6.112 5.989 6.166 0.166 6 0 "[ . 1 . ]" 1
874 1 103 PHE QD 1 104 LYS HD3 3.300 . 4.600 3.608 2.615 4.620 0.020 7 0 "[ . 1 . ]" 1
875 1 81 ASN HD21 1 84 THR HB 3.800 . 5.600 4.673 2.498 5.632 0.032 7 0 "[ . 1 . ]" 1
876 1 27 MET HG2 1 30 ARG HE 2.800 . 3.800 2.083 1.854 2.342 . 0 0 "[ . 1 . ]" 1
877 1 24 LEU HB2 1 78 HIS H 5.900 . 6.000 6.188 6.122 6.253 0.253 4 0 "[ . 1 . ]" 1
878 1 32 ALA MB 1 41 PHE QE 3.800 . 5.600 2.657 1.979 3.144 0.021 4 0 "[ . 1 . ]" 1
879 1 32 ALA MB 1 41 PHE HB3 3.500 . 5.000 3.584 2.109 4.659 . 0 0 "[ . 1 . ]" 1
880 1 15 VAL MG2 1 79 PHE HZ 4.300 . 6.000 3.339 3.188 3.822 . 0 0 "[ . 1 . ]" 1
881 1 15 VAL MG1 1 79 PHE HZ 4.900 . 6.000 4.001 3.367 4.354 . 0 0 "[ . 1 . ]" 1
882 1 95 LEU MD1 1 98 GLN HE22 4.200 . 6.000 4.622 2.806 5.838 . 0 0 "[ . 1 . ]" 1
883 1 95 LEU MD2 1 98 GLN HE22 4.800 . 6.000 4.426 3.118 5.645 . 0 0 "[ . 1 . ]" 1
884 1 84 THR H 1 86 VAL H 5.000 . 6.000 5.277 4.702 5.759 . 0 0 "[ . 1 . ]" 1
885 1 65 LEU H 1 77 PHE HB2 3.600 . 5.200 4.306 4.034 4.665 . 0 0 "[ . 1 . ]" 1
886 1 95 LEU HA 1 98 GLN HB2 3.000 . 4.200 2.299 2.017 2.778 . 0 0 "[ . 1 . ]" 1
887 1 95 LEU HA 1 98 GLN HG2 4.300 . 6.000 4.783 4.421 5.333 . 0 0 "[ . 1 . ]" 1
888 1 91 ALA HA 1 94 ASP HB3 4.000 . 6.000 2.231 1.924 3.415 0.076 14 0 "[ . 1 . ]" 1
889 1 99 LEU HA 1 102 LYS HB2 3.100 . 4.300 2.878 2.183 4.074 . 0 0 "[ . 1 . ]" 1
890 1 95 LEU HA 1 98 GLN HB3 3.400 . 4.800 2.607 2.046 3.274 . 0 0 "[ . 1 . ]" 1
891 1 90 ASP HA 1 93 LYS HB3 2.600 . 3.400 2.864 2.369 3.437 0.037 13 0 "[ . 1 . ]" 1
892 1 87 LYS HA 1 90 ASP HB2 3.500 . 5.100 2.195 1.811 3.414 0.089 11 0 "[ . 1 . ]" 1
893 1 18 LYS HB3 1 20 GLN H 5.000 . 6.000 5.758 5.558 6.003 0.003 17 0 "[ . 1 . ]" 1
894 1 63 ILE HA 1 79 PHE QD 5.500 . 6.000 4.730 4.324 5.218 . 0 0 "[ . 1 . ]" 1
895 1 105 ARG HA 1 106 LYS H 2.700 . 3.600 3.104 2.196 3.588 . 0 0 "[ . 1 . ]" 1
896 1 62 LYS HA 1 78 HIS HD2 4.500 . 6.000 6.056 5.671 6.277 0.277 19 0 "[ . 1 . ]" 1
897 1 50 ILE H 1 69 LEU MD2 4.200 . 6.000 5.061 4.615 5.409 . 0 0 "[ . 1 . ]" 1
898 1 52 CYS H 1 68 VAL MG1 4.600 . 6.000 5.814 5.722 5.900 . 0 0 "[ . 1 . ]" 1
899 1 79 PHE QE 1 92 VAL MG1 3.100 . 4.300 2.609 2.188 3.890 . 0 0 "[ . 1 . ]" 1
900 1 65 LEU MD2 1 77 PHE QD 3.500 . 5.000 3.489 3.249 3.685 . 0 0 "[ . 1 . ]" 1
901 1 79 PHE QE 1 96 LEU HG 3.700 2.400 5.000 5.195 5.022 5.372 0.372 11 0 "[ . 1 . ]" 1
902 1 85 ALA HA 1 88 GLU HG3 4.400 . 6.000 4.042 3.642 5.641 . 0 0 "[ . 1 . ]" 1
903 1 85 ALA HA 1 88 GLU HG2 4.600 . 6.000 4.587 4.031 6.167 0.167 10 0 "[ . 1 . ]" 1
904 1 85 ALA HA 1 88 GLU HB2 4.900 . 6.000 5.573 4.867 6.089 0.089 6 0 "[ . 1 . ]" 1
905 1 12 VAL MG1 1 24 LEU H 4.700 . 6.000 4.748 2.590 5.651 . 0 0 "[ . 1 . ]" 1
906 1 27 MET HB3 1 29 GLU H 3.500 . 5.000 3.880 3.577 4.364 . 0 0 "[ . 1 . ]" 1
907 1 79 PHE QE 1 93 LYS HB3 3.600 . 5.300 5.183 4.685 5.379 0.079 13 0 "[ . 1 . ]" 1
908 1 63 ILE HA 1 64 GLN HB2 6.000 . 6.000 5.758 5.475 6.015 0.015 8 0 "[ . 1 . ]" 1
909 1 50 ILE HB 1 69 LEU MD1 4.800 . 6.000 3.721 1.957 4.351 0.043 8 0 "[ . 1 . ]" 1
910 1 64 GLN HB2 1 65 LEU HA 3.900 . 5.800 4.586 4.112 4.985 . 0 0 "[ . 1 . ]" 1
911 1 46 MET HB3 1 48 ALA H 3.000 . 4.100 3.050 2.821 3.181 . 0 0 "[ . 1 . ]" 1
912 1 62 LYS HB3 1 78 HIS HE1 4.700 . 6.000 4.386 3.404 5.019 . 0 0 "[ . 1 . ]" 1
913 1 62 LYS HB2 1 86 VAL H 4.100 . 6.000 5.886 5.092 6.276 0.276 13 0 "[ . 1 . ]" 1
914 1 55 ILE HA 1 65 LEU MD2 4.500 . 6.000 5.415 5.076 6.007 0.007 5 0 "[ . 1 . ]" 1
915 1 11 ILE HG13 1 25 TYR HA 4.200 . 6.000 3.414 2.733 4.741 . 0 0 "[ . 1 . ]" 1
916 1 65 LEU HA 1 96 LEU MD1 4.200 . 6.000 4.628 3.968 5.166 . 0 0 "[ . 1 . ]" 1
917 1 57 PRO HG3 1 65 LEU MD1 3.000 . 4.200 3.848 3.399 4.237 0.037 14 0 "[ . 1 . ]" 1
918 1 47 TYR HA 1 67 LEU MD2 2.700 . 3.600 3.562 2.857 3.726 0.126 12 0 "[ . 1 . ]" 1
919 1 100 LEU H 1 101 PRO HB2 3.500 . 5.000 5.338 5.278 5.390 0.390 10 0 "[ . 1 . ]" 1
920 1 47 TYR QD 1 99 LEU HB3 3.000 . 4.100 3.289 3.002 4.219 0.119 11 0 "[ . 1 . ]" 1
921 1 51 LYS HB3 1 68 VAL HB 4.200 . 6.000 5.564 5.405 5.761 . 0 0 "[ . 1 . ]" 1
922 1 69 LEU MD1 1 73 ASP HA 5.200 . 6.000 5.152 4.676 5.813 . 0 0 "[ . 1 . ]" 1
923 1 99 LEU MD1 1 103 PHE QE 3.200 . 4.500 3.641 3.159 4.057 . 0 0 "[ . 1 . ]" 1
924 1 98 GLN HB2 1 99 LEU HG 5.000 . 6.000 4.175 3.801 4.560 . 0 0 "[ . 1 . ]" 1
925 1 24 LEU MD1 1 92 VAL HB 4.700 . 6.000 5.487 4.481 6.047 0.047 8 0 "[ . 1 . ]" 1
926 1 27 MET HB3 1 30 ARG H 2.800 . 3.800 2.391 1.898 2.979 . 0 0 "[ . 1 . ]" 1
927 1 92 VAL MG2 1 94 ASP H 4.600 . 6.000 5.208 4.123 5.635 . 0 0 "[ . 1 . ]" 1
928 1 68 VAL MG1 1 73 ASP H 3.500 . 5.000 2.813 2.671 2.953 . 0 0 "[ . 1 . ]" 1
929 1 47 TYR HB3 1 103 PHE H 4.500 . 6.000 4.505 4.148 4.832 . 0 0 "[ . 1 . ]" 1
930 1 47 TYR HB3 1 104 LYS H 4.500 . 6.000 6.140 6.043 6.375 0.375 10 0 "[ . 1 . ]" 1
931 1 47 TYR HB2 1 103 PHE H 5.500 . 6.000 5.462 4.990 5.929 . 0 0 "[ . 1 . ]" 1
932 1 79 PHE HZ 1 92 VAL H 5.400 . 6.000 5.904 5.420 6.160 0.160 8 0 "[ . 1 . ]" 1
933 1 79 PHE QE 1 92 VAL H 5.800 . 6.000 5.486 5.011 5.787 . 0 0 "[ . 1 . ]" 1
934 1 30 ARG HA 1 46 MET HA . . 2.600 2.585 2.383 2.663 0.063 15 0 "[ . 1 . ]" 1
935 1 79 PHE QD 1 92 VAL MG2 3.900 . 5.800 3.744 2.877 4.579 . 0 0 "[ . 1 . ]" 1
936 1 46 MET HA 1 48 ALA H 3.600 . 5.200 4.001 3.895 4.269 . 0 0 "[ . 1 . ]" 1
937 1 53 GLN HE21 1 103 PHE QD 3.800 . 5.600 4.654 2.986 5.619 0.019 19 0 "[ . 1 . ]" 1
938 1 17 GLN HG3 1 33 TRP HZ2 3.400 . 4.900 4.371 3.941 5.080 0.180 9 0 "[ . 1 . ]" 1
939 1 25 TYR QE 1 40 ARG HB3 4.100 . 6.000 5.280 3.869 6.169 0.169 10 0 "[ . 1 . ]" 1
940 1 25 TYR QE 1 40 ARG HB2 4.200 . 6.000 5.549 4.122 6.077 0.077 9 0 "[ . 1 . ]" 1
941 1 40 ARG HG3 1 41 PHE H 3.900 . 5.800 3.226 1.993 5.072 0.007 2 0 "[ . 1 . ]" 1
942 1 23 ALA H 1 77 PHE HZ 4.900 . 6.000 6.124 6.056 6.152 0.152 18 0 "[ . 1 . ]" 1
943 1 49 ASP H 1 50 ILE HB 4.400 . 6.000 5.895 4.448 6.294 0.294 18 0 "[ . 1 . ]" 1
944 1 7 GLU H 1 8 VAL H 3.500 . 5.000 4.247 4.159 4.615 . 0 0 "[ . 1 . ]" 1
945 1 27 MET HB3 1 28 ALA H 3.600 . 5.200 3.948 3.773 4.111 . 0 0 "[ . 1 . ]" 1
946 1 64 GLN HG3 1 65 LEU H 3.700 . 5.400 4.460 3.566 5.386 . 0 0 "[ . 1 . ]" 1
947 1 63 ILE HG13 1 64 GLN H 4.600 . 6.000 4.294 3.373 5.819 . 0 0 "[ . 1 . ]" 1
948 1 9 LEU HA 1 10 LEU H 3.200 . 4.500 3.664 3.622 3.684 . 0 0 "[ . 1 . ]" 1
949 1 29 GLU H 1 30 ARG H 2.200 . 2.800 2.690 2.413 2.862 0.062 14 0 "[ . 1 . ]" 1
950 1 16 ARG H 1 17 GLN H 4.200 . 6.000 4.308 4.192 4.386 . 0 0 "[ . 1 . ]" 1
951 1 72 GLY HA3 1 73 ASP H 2.800 . 3.800 3.477 3.440 3.520 . 0 0 "[ . 1 . ]" 1
952 1 84 THR H 1 85 ALA H 2.000 . 2.500 2.416 1.786 2.604 0.104 6 0 "[ . 1 . ]" 1
953 1 52 CYS H 1 69 LEU HA 4.700 . 6.000 5.622 5.129 5.772 . 0 0 "[ . 1 . ]" 1
954 1 51 LYS H 1 52 CYS H 4.200 3.500 4.900 3.814 3.697 3.927 . 0 0 "[ . 1 . ]" 1
955 1 25 TYR H 1 26 LEU H 4.200 2.900 5.500 4.488 4.426 4.538 . 0 0 "[ . 1 . ]" 1
956 1 9 LEU H 1 10 LEU H 3.700 2.800 4.600 2.560 2.478 2.696 0.322 5 0 "[ . 1 . ]" 1
957 1 46 MET H 1 49 ASP H 3.900 . 5.800 4.379 4.238 4.586 . 0 0 "[ . 1 . ]" 1
958 1 63 ILE H 1 64 GLN H 4.300 . 6.000 3.025 2.566 3.547 . 0 0 "[ . 1 . ]" 1
959 1 19 LYS H 1 20 GLN H 3.300 . 4.700 2.524 2.324 2.648 . 0 0 "[ . 1 . ]" 1
960 1 73 ASP HB2 1 74 THR H 3.300 . 4.700 4.205 3.351 4.385 . 0 0 "[ . 1 . ]" 1
961 1 73 ASP HA 1 74 THR H 2.300 . 2.900 2.164 2.113 2.203 . 0 0 "[ . 1 . ]" 1
962 1 42 THR H 1 43 ILE H 2.200 . 2.800 2.049 1.777 2.593 . 0 0 "[ . 1 . ]" 1
963 1 98 GLN H 1 99 LEU H 2.500 . 3.000 2.187 2.048 2.293 . 0 0 "[ . 1 . ]" 1
964 1 31 ILE H 1 47 TYR H 4.300 . 6.000 3.816 3.507 4.071 . 0 0 "[ . 1 . ]" 1
965 1 14 LYS H 1 15 VAL H 3.200 . 4.400 4.278 3.645 4.466 0.066 6 0 "[ . 1 . ]" 1
966 1 72 GLY H 1 73 ASP H 2.300 . 3.000 3.082 3.031 3.130 0.130 3 0 "[ . 1 . ]" 1
967 1 73 ASP H 1 74 THR H 4.200 2.600 5.800 4.338 4.260 4.411 . 0 0 "[ . 1 . ]" 1
968 1 16 ARG H 1 78 HIS H 3.200 . 4.050 3.372 3.071 3.675 . 0 0 "[ . 1 . ]" 1
969 1 103 PHE H 1 104 LYS H 2.100 . 2.700 2.227 1.964 2.682 . 0 0 "[ . 1 . ]" 1
970 1 71 ALA HA 1 72 GLY H 3.100 . 4.300 2.946 2.894 3.060 . 0 0 "[ . 1 . ]" 1
971 1 69 LEU HB3 1 70 HIS H 2.500 . 3.300 3.113 2.997 3.224 . 0 0 "[ . 1 . ]" 1
972 1 69 LEU HB3 1 71 ALA H 3.200 . 4.500 2.603 2.435 2.726 . 0 0 "[ . 1 . ]" 1
973 1 69 LEU HB2 1 71 ALA H 3.000 . 4.100 3.077 2.956 3.433 . 0 0 "[ . 1 . ]" 1
974 1 68 VAL MG2 1 69 LEU H 4.000 . 6.000 3.830 3.776 3.888 . 0 0 "[ . 1 . ]" 1
975 1 70 HIS H 1 71 ALA H 3.400 . 4.800 2.580 2.517 2.643 . 0 0 "[ . 1 . ]" 1
976 1 51 LYS HB3 1 52 CYS H 3.200 . 4.500 4.206 4.076 4.369 . 0 0 "[ . 1 . ]" 1
977 1 51 LYS HB2 1 52 CYS H 3.700 . 5.400 4.422 4.330 4.478 . 0 0 "[ . 1 . ]" 1
978 1 49 ASP HB2 1 50 ILE H 3.800 . 5.600 3.357 2.784 3.581 . 0 0 "[ . 1 . ]" 1
979 1 50 ILE HA 1 52 CYS H 4.500 . 6.000 5.545 5.353 5.813 . 0 0 "[ . 1 . ]" 1
980 1 52 CYS H 1 68 VAL H 3.100 . 4.050 3.141 3.048 3.327 . 0 0 "[ . 1 . ]" 1
981 1 51 LYS H 1 70 HIS H 3.400 . 4.900 2.534 2.196 2.808 . 0 0 "[ . 1 . ]" 1
982 1 48 ALA H 1 49 ASP H 2.400 . 3.100 2.446 2.346 2.575 . 0 0 "[ . 1 . ]" 1
983 1 47 TYR HB2 1 48 ALA H 2.800 . 3.800 2.896 2.684 3.093 . 0 0 "[ . 1 . ]" 1
984 1 67 LEU MD2 1 68 VAL H 4.000 . 6.000 3.074 1.971 4.262 0.029 7 0 "[ . 1 . ]" 1
985 1 68 VAL HA 1 69 LEU H 2.100 . 2.600 2.217 2.169 2.267 . 0 0 "[ . 1 . ]" 1
986 1 52 CYS HA 1 53 GLN H 2.500 . 3.300 2.241 2.162 2.300 . 0 0 "[ . 1 . ]" 1
987 1 52 CYS HB2 1 53 GLN H 3.100 . 4.300 4.408 4.353 4.468 0.168 10 0 "[ . 1 . ]" 1
988 1 69 LEU HB2 1 72 GLY H 3.700 2.800 4.600 4.169 4.026 4.349 . 0 0 "[ . 1 . ]" 1
989 1 69 LEU HB2 1 73 ASP H 3.500 . 5.000 2.137 2.090 2.218 . 0 0 "[ . 1 . ]" 1
990 1 69 LEU HG 1 73 ASP H 3.500 . 5.000 3.489 3.200 4.077 . 0 0 "[ . 1 . ]" 1
991 1 50 ILE MD 1 51 LYS H 3.700 . 5.400 4.580 3.168 5.448 0.048 5 0 "[ . 1 . ]" 1
992 1 46 MET HB2 1 49 ASP H 2.900 . 3.900 3.369 3.220 3.663 . 0 0 "[ . 1 . ]" 1
993 1 47 TYR HB3 1 49 ASP H 3.900 . 5.800 5.332 5.047 5.579 . 0 0 "[ . 1 . ]" 1
994 1 46 MET HG3 1 49 ASP H 4.800 . 6.000 4.860 4.538 5.225 . 0 0 "[ . 1 . ]" 1
995 1 47 TYR HB3 1 48 ALA H 2.900 . 4.000 3.374 3.217 3.549 . 0 0 "[ . 1 . ]" 1
996 1 46 MET HB2 1 47 TYR H 3.800 . 5.600 4.561 4.490 4.621 . 0 0 "[ . 1 . ]" 1
997 1 15 VAL MG2 1 78 HIS H 3.300 . 4.700 4.700 4.484 4.879 0.179 6 0 "[ . 1 . ]" 1
998 1 26 LEU HB3 1 27 MET H 3.600 . 5.200 4.062 3.330 4.404 . 0 0 "[ . 1 . ]" 1
999 1 14 LYS HG3 1 15 VAL H 4.300 . 6.000 3.602 2.648 5.389 . 0 0 "[ . 1 . ]" 1
1000 1 15 VAL H 1 23 ALA H 3.600 . 5.200 4.544 4.209 4.810 . 0 0 "[ . 1 . ]" 1
1001 1 15 VAL H 1 22 GLY HA3 3.600 . 5.200 4.810 4.594 4.909 . 0 0 "[ . 1 . ]" 1
1002 1 96 LEU HG 1 97 GLN HE22 3.300 . 4.700 4.758 4.215 4.985 0.285 9 0 "[ . 1 . ]" 1
1003 1 96 LEU MD2 1 97 GLN HE22 3.800 . 5.600 5.401 4.546 5.750 0.150 18 0 "[ . 1 . ]" 1
1004 1 95 LEU H 1 96 LEU H 2.400 . 3.100 2.397 2.178 3.117 0.017 10 0 "[ . 1 . ]" 1
1005 1 95 LEU HB2 1 96 LEU H 2.200 . 2.800 2.536 2.220 2.806 0.006 9 0 "[ . 1 . ]" 1
1006 1 95 LEU HB3 1 96 LEU H 3.500 . 5.100 3.546 3.039 3.897 . 0 0 "[ . 1 . ]" 1
1007 1 94 ASP H 1 95 LEU H 2.800 2.100 3.500 2.884 2.556 3.307 . 0 0 "[ . 1 . ]" 1
1008 1 93 LYS HB2 1 94 ASP H 3.200 . 4.500 3.912 3.632 4.085 . 0 0 "[ . 1 . ]" 1
1009 1 93 LYS HB3 1 94 ASP H 3.100 . 4.300 2.575 2.209 2.943 . 0 0 "[ . 1 . ]" 1
1010 1 95 LEU MD2 1 96 LEU H 3.300 . 4.700 4.150 3.891 4.734 0.034 2 0 "[ . 1 . ]" 1
1011 1 95 LEU MD1 1 96 LEU H 3.700 . 5.400 4.319 3.674 4.775 . 0 0 "[ . 1 . ]" 1
1012 1 8 VAL HB 1 9 LEU H 4.300 . 6.000 3.049 2.655 3.885 . 0 0 "[ . 1 . ]" 1
1013 1 28 ALA H 1 29 GLU H 2.900 . 3.900 3.200 2.992 3.322 . 0 0 "[ . 1 . ]" 1
1014 1 92 VAL H 1 93 LYS H 2.500 . 3.300 2.860 2.367 3.239 . 0 0 "[ . 1 . ]" 1
1015 1 91 ALA MB 1 92 VAL H 2.400 . 3.100 2.540 2.204 2.821 . 0 0 "[ . 1 . ]" 1
1016 1 93 LYS H 1 94 ASP H 2.500 . 3.300 2.713 2.489 2.883 . 0 0 "[ . 1 . ]" 1
1017 1 92 VAL HB 1 93 LYS H 2.500 . 3.300 2.414 1.930 3.444 0.144 8 0 "[ . 1 . ]" 1
1018 1 29 GLU HG2 1 30 ARG H 3.500 . 5.000 4.750 4.261 5.031 0.031 8 0 "[ . 1 . ]" 1
1019 1 29 GLU HB3 1 30 ARG H 2.700 . 3.600 3.513 2.905 3.804 0.204 7 0 "[ . 1 . ]" 1
1020 1 28 ALA MB 1 30 ARG H 3.600 . 5.200 4.294 4.246 4.503 . 0 0 "[ . 1 . ]" 1
1021 1 27 MET HB2 1 29 GLU H 3.800 . 5.600 4.988 4.606 5.133 . 0 0 "[ . 1 . ]" 1
1022 1 27 MET HG2 1 28 ALA H 3.600 . 5.200 3.154 2.740 3.453 . 0 0 "[ . 1 . ]" 1
1023 1 47 TYR H 1 50 ILE HG13 3.800 . 5.600 4.624 3.479 5.836 0.236 8 0 "[ . 1 . ]" 1
1024 1 13 LYS HD2 1 14 LYS H 2.900 . 3.900 3.256 1.896 4.223 0.323 2 0 "[ . 1 . ]" 1
1025 1 23 ALA MB 1 25 TYR H 3.700 . 5.400 5.024 4.729 5.242 . 0 0 "[ . 1 . ]" 1
1026 1 24 LEU HG 1 25 TYR H 3.900 . 5.800 4.452 4.355 4.530 . 0 0 "[ . 1 . ]" 1
1027 1 99 LEU H 1 100 LEU H 2.300 . 3.000 2.253 2.137 2.387 . 0 0 "[ . 1 . ]" 1
1028 1 98 GLN HA 1 99 LEU H 3.500 2.400 4.600 3.537 3.494 3.568 . 0 0 "[ . 1 . ]" 1
1029 1 98 GLN HG2 1 99 LEU H 3.900 . 5.800 4.643 4.283 4.869 . 0 0 "[ . 1 . ]" 1
1030 1 99 LEU HB2 1 100 LEU H 3.000 . 4.100 2.993 2.756 3.192 . 0 0 "[ . 1 . ]" 1
1031 1 99 LEU HB3 1 100 LEU H 3.100 . 4.300 4.191 4.054 4.315 0.015 4 0 "[ . 1 . ]" 1
1032 1 99 LEU MD1 1 100 LEU H 2.600 . 3.400 2.829 2.435 3.141 . 0 0 "[ . 1 . ]" 1
1033 1 99 LEU MD2 1 100 LEU H 2.500 . 5.300 4.752 4.464 4.930 . 0 0 "[ . 1 . ]" 1
1034 1 95 LEU HG 1 97 GLN HE22 4.100 . 6.000 5.996 5.662 6.160 0.160 16 0 "[ . 1 . ]" 1
1035 1 92 VAL MG2 1 93 LYS H 3.300 . 4.700 3.561 1.888 3.972 0.012 14 0 "[ . 1 . ]" 1
1036 1 92 VAL MG1 1 93 LYS H 3.400 . 4.800 2.981 1.951 4.083 0.049 8 0 "[ . 1 . ]" 1
1037 1 10 LEU MD2 1 11 ILE H 3.200 . 4.400 3.307 2.147 4.076 . 0 0 "[ . 1 . ]" 1
1038 1 46 MET HB2 1 48 ALA H 3.300 . 4.700 4.681 4.330 4.776 0.076 6 0 "[ . 1 . ]" 1
1039 1 15 VAL HB 1 16 ARG H 3.800 . 5.600 3.934 3.498 4.097 . 0 0 "[ . 1 . ]" 1
1040 1 8 VAL MG1 1 9 LEU H 4.000 2.500 5.500 4.045 3.728 4.219 . 0 0 "[ . 1 . ]" 1
1041 1 8 VAL MG2 1 9 LEU H 3.000 2.100 3.900 2.899 2.053 3.414 0.047 1 0 "[ . 1 . ]" 1
1042 1 16 ARG HB3 1 17 GLN H 4.200 . 6.000 4.183 4.025 4.340 . 0 0 "[ . 1 . ]" 1
1043 1 102 LYS HA 1 103 PHE H 3.200 . 4.500 3.556 3.517 3.585 . 0 0 "[ . 1 . ]" 1
1044 1 54 LYS HA 1 55 ILE H 2.300 . 3.000 2.245 2.218 2.302 . 0 0 "[ . 1 . ]" 1
1045 1 53 GLN HG3 1 54 LYS H 3.600 . 5.200 4.729 3.354 5.266 0.066 6 0 "[ . 1 . ]" 1
1046 1 39 ASP H 1 40 ARG H 3.100 . 4.300 3.829 2.146 4.558 0.258 6 0 "[ . 1 . ]" 1
1047 1 39 ASP HA 1 40 ARG H 3.000 . 4.100 2.592 2.148 3.452 . 0 0 "[ . 1 . ]" 1
1048 1 54 LYS HG2 1 55 ILE H 3.800 . 5.600 4.391 4.154 4.611 . 0 0 "[ . 1 . ]" 1
1049 1 17 GLN HA 1 18 LYS H 3.000 . 4.100 2.183 2.159 2.206 . 0 0 "[ . 1 . ]" 1
1050 1 19 LYS HA 1 20 GLN H 3.400 . 4.900 3.533 3.506 3.553 . 0 0 "[ . 1 . ]" 1
1051 1 27 MET HA 1 28 ALA H 2.400 . 3.100 2.307 2.253 2.360 . 0 0 "[ . 1 . ]" 1
1052 1 10 LEU HA 1 11 ILE H 2.100 . 2.600 2.328 2.240 2.451 . 0 0 "[ . 1 . ]" 1
1053 1 97 GLN HG2 1 98 GLN H 3.900 . 5.800 4.200 2.632 5.618 . 0 0 "[ . 1 . ]" 1
1054 1 97 GLN HG3 1 98 GLN H 3.200 . 4.500 4.371 4.012 4.628 0.128 14 0 "[ . 1 . ]" 1
1055 1 90 ASP H 1 92 VAL H 4.200 2.600 5.800 4.160 3.820 4.532 . 0 0 "[ . 1 . ]" 1
1056 1 40 ARG H 1 41 PHE H 3.900 . 5.800 2.999 1.857 4.293 0.143 11 0 "[ . 1 . ]" 1
1057 1 18 LYS H 1 19 LYS H 3.500 . 5.000 3.140 3.105 3.189 . 0 0 "[ . 1 . ]" 1
1058 1 43 ILE MD 1 44 SER H 2.900 2.200 3.600 3.384 2.639 3.727 0.127 7 0 "[ . 1 . ]" 1
1059 1 40 ARG HA 1 41 PHE H 2.600 2.100 3.100 3.384 2.896 3.501 0.401 5 0 "[ . 1 . ]" 1
1060 1 65 LEU H 1 78 HIS HD2 3.900 . 5.800 5.071 4.347 5.758 . 0 0 "[ . 1 . ]" 1
1061 1 64 GLN HG2 1 65 LEU H 3.600 . 5.200 4.797 3.856 5.219 0.019 9 0 "[ . 1 . ]" 1
1062 1 64 GLN HB2 1 65 LEU H 2.500 . 3.300 3.333 3.231 3.416 0.116 11 0 "[ . 1 . ]" 1
1063 1 32 ALA HA 1 33 TRP H 2.400 . 3.100 2.258 2.174 2.319 . 0 0 "[ . 1 . ]" 1
1064 1 74 THR MG 1 75 THR H 3.700 . 5.400 2.197 2.007 2.487 . 0 0 "[ . 1 . ]" 1
1065 1 77 PHE HB2 1 78 HIS H 3.300 . 4.600 4.187 3.969 4.273 . 0 0 "[ . 1 . ]" 1
1066 1 24 LEU MD2 1 25 TYR H 2.500 . 3.300 2.205 1.985 2.445 . 0 0 "[ . 1 . ]" 1
1067 1 81 ASN HD21 1 84 THR H 4.200 2.500 5.900 4.648 3.934 5.536 . 0 0 "[ . 1 . ]" 1
1068 1 84 THR H 1 85 ALA MB 3.400 . 4.900 3.743 3.459 4.154 . 0 0 "[ . 1 . ]" 1
1069 1 12 VAL MG2 1 13 LYS H 3.100 . 4.300 4.133 2.769 4.404 0.104 5 0 "[ . 1 . ]" 1
1070 1 17 GLN H 1 21 ASP HB2 4.800 . 6.000 5.391 4.439 5.637 . 0 0 "[ . 1 . ]" 1
1071 1 17 GLN H 1 21 ASP HB3 5.500 . 6.000 4.541 4.110 5.523 . 0 0 "[ . 1 . ]" 1
1072 1 10 LEU HB3 1 11 ILE H 3.000 . 4.100 3.687 2.793 4.125 0.025 13 0 "[ . 1 . ]" 1
1073 1 11 ILE HB 1 12 VAL H 3.900 . 5.800 3.937 3.581 4.146 . 0 0 "[ . 1 . ]" 1
1074 1 26 LEU MD2 1 27 MET H 3.500 . 5.000 3.391 1.956 4.746 0.044 12 0 "[ . 1 . ]" 1
1075 1 69 LEU H 1 74 THR HA 3.600 . 5.200 3.091 2.918 3.315 . 0 0 "[ . 1 . ]" 1
1076 1 78 HIS H 1 79 PHE H 3.400 . 4.800 4.389 4.293 4.512 . 0 0 "[ . 1 . ]" 1
1077 1 81 ASN HD22 1 84 THR H 3.700 . 5.400 5.609 5.417 5.787 0.387 3 0 "[ . 1 . ]" 1
1078 1 68 VAL H 1 69 LEU H 3.500 . 5.100 4.405 4.356 4.468 . 0 0 "[ . 1 . ]" 1
1079 1 41 PHE HB3 1 42 THR H 3.700 . 5.400 3.183 1.978 4.201 0.022 11 0 "[ . 1 . ]" 1
1080 1 33 TRP H 1 44 SER HA 3.600 . 3.950 3.879 3.564 4.025 0.075 17 0 "[ . 1 . ]" 1
1081 1 33 TRP H 1 43 ILE HB 3.500 . 5.100 3.551 2.395 5.108 0.008 9 0 "[ . 1 . ]" 1
1082 1 33 TRP H 1 43 ILE MD 2.800 . 3.800 3.402 1.792 4.132 0.332 17 0 "[ . 1 . ]" 1
1083 1 43 ILE H 1 44 SER H 4.200 2.800 5.600 4.414 4.334 4.477 . 0 0 "[ . 1 . ]" 1
1084 1 32 ALA MB 1 33 TRP H 2.500 . 3.300 2.725 2.469 2.886 . 0 0 "[ . 1 . ]" 1
1085 1 43 ILE HA 1 44 SER H 2.100 . 2.700 2.391 2.249 2.569 . 0 0 "[ . 1 . ]" 1
1086 1 34 ALA HA 1 42 THR H 2.600 . 3.500 2.618 1.861 3.434 . 0 0 "[ . 1 . ]" 1
1087 1 34 ALA MB 1 42 THR H 3.500 . 5.000 2.613 2.036 3.333 . 0 0 "[ . 1 . ]" 1
1088 1 31 ILE H 1 45 HIS H 3.300 . 4.050 2.631 2.251 2.824 . 0 0 "[ . 1 . ]" 1
1089 1 15 VAL HA 1 22 GLY H 3.500 . 5.000 4.526 4.388 4.656 . 0 0 "[ . 1 . ]" 1
1090 1 51 LYS H 1 69 LEU MD2 5.100 . 6.000 3.680 3.233 3.995 . 0 0 "[ . 1 . ]" 1
1091 1 51 LYS H 1 69 LEU HG 5.200 . 6.000 6.061 5.599 6.203 0.203 5 0 "[ . 1 . ]" 1
1092 1 54 LYS HB2 1 55 ILE H 3.600 . 5.200 4.295 3.822 4.662 . 0 0 "[ . 1 . ]" 1
1093 1 54 LYS HB3 1 55 ILE H 3.300 . 4.600 4.429 3.921 4.605 0.005 19 0 "[ . 1 . ]" 1
1094 1 54 LYS HD2 1 55 ILE H 3.900 . 5.800 4.709 2.337 5.809 0.009 2 0 "[ . 1 . ]" 1
1095 1 74 THR H 1 75 THR H 4.300 . 6.000 4.518 4.499 4.540 . 0 0 "[ . 1 . ]" 1
1096 1 51 LYS H 1 68 VAL HA 4.500 . 6.000 5.077 4.920 5.229 . 0 0 "[ . 1 . ]" 1
1097 1 77 PHE H 1 78 HIS H 4.200 3.700 6.700 4.297 4.203 4.363 . 0 0 "[ . 1 . ]" 1
1098 1 88 GLU H 1 89 ARG H 2.500 . 3.300 3.230 2.958 3.506 0.206 11 0 "[ . 1 . ]" 1
1099 1 83 SER HA 1 84 THR H 3.300 . 4.700 3.190 2.351 3.565 . 0 0 "[ . 1 . ]" 1
1100 1 83 SER H 1 84 THR H 3.400 . 4.800 2.217 1.859 3.402 0.141 8 0 "[ . 1 . ]" 1
1101 1 75 THR H 1 76 ASN H 4.200 3.000 5.400 3.964 3.830 4.149 . 0 0 "[ . 1 . ]" 1
1102 1 75 THR MG 1 76 ASN H 2.900 . 3.900 3.243 3.101 3.581 . 0 0 "[ . 1 . ]" 1
1103 1 63 ILE MG 1 64 GLN H 3.300 . 4.700 4.310 4.086 4.508 . 0 0 "[ . 1 . ]" 1
1104 1 3 THR HA 1 4 SER H 3.700 . 5.400 2.995 2.192 3.587 . 0 0 "[ . 1 . ]" 1
1105 1 3 THR HB 1 4 SER H 3.100 . 4.300 3.148 1.896 4.462 0.162 11 0 "[ . 1 . ]" 1
1106 1 76 ASN HA 1 77 PHE H 2.000 . 2.500 2.261 2.206 2.306 . 0 0 "[ . 1 . ]" 1
1107 1 8 VAL HA 1 9 LEU H 2.200 . 2.800 2.302 2.241 2.343 . 0 0 "[ . 1 . ]" 1
1108 1 8 VAL HA 1 28 ALA H 2.700 . 3.600 2.291 1.863 3.071 . 0 0 "[ . 1 . ]" 1
1109 1 17 GLN HG3 1 18 LYS H 3.200 . 4.500 4.236 3.570 4.522 0.022 15 0 "[ . 1 . ]" 1
1110 1 17 GLN HG2 1 18 LYS H 4.300 . 6.000 5.009 4.223 5.234 . 0 0 "[ . 1 . ]" 1
1111 1 17 GLN HB3 1 18 LYS H 3.300 . 4.700 4.184 3.965 4.391 . 0 0 "[ . 1 . ]" 1
1112 1 25 TYR HB2 1 26 LEU H 4.500 . 6.000 4.414 4.344 4.498 . 0 0 "[ . 1 . ]" 1
1113 1 60 LYS HB2 1 63 ILE H 3.400 . 4.800 3.678 2.959 4.882 0.082 13 0 "[ . 1 . ]" 1
1114 1 60 LYS HB3 1 63 ILE H 3.400 . 4.800 4.428 3.186 5.076 0.276 11 0 "[ . 1 . ]" 1
1115 1 26 LEU HG 1 27 MET H 3.000 . 4.100 2.822 2.173 3.596 . 0 0 "[ . 1 . ]" 1
1116 1 68 VAL MG1 1 69 LEU H 2.700 . 3.600 1.862 1.836 1.893 . 0 0 "[ . 1 . ]" 1
1117 1 104 LYS HA 1 105 ARG H 2.200 . 2.800 2.496 2.161 3.025 0.225 12 0 "[ . 1 . ]" 1
1118 1 100 LEU H 1 101 PRO HD3 2.500 . 3.300 3.008 2.862 3.211 . 0 0 "[ . 1 . ]" 1
1119 1 99 LEU HA 1 100 LEU H 3.100 . 4.300 3.487 3.453 3.534 . 0 0 "[ . 1 . ]" 1
1120 1 13 LYS HB3 1 14 LYS H 2.700 . 3.600 3.183 1.833 3.926 0.326 5 0 "[ . 1 . ]" 1
1121 1 6 GLU HB3 1 7 GLU H 2.500 . 3.300 2.860 2.395 3.467 0.167 2 0 "[ . 1 . ]" 1
1122 1 6 GLU HB2 1 7 GLU H 2.600 . 3.400 3.245 2.436 3.757 0.357 19 0 "[ . 1 . ]" 1
1123 1 7 GLU HG3 1 8 VAL H 4.300 . 6.000 5.594 5.128 5.867 . 0 0 "[ . 1 . ]" 1
1124 1 88 GLU HG3 1 90 ASP H 3.600 2.400 4.800 4.775 4.354 5.078 0.278 11 0 "[ . 1 . ]" 1
1125 1 88 GLU HG2 1 90 ASP H 3.500 . 5.000 3.885 3.093 5.445 0.445 9 0 "[ . 1 . ]" 1
1126 1 88 GLU HB2 1 90 ASP H 3.400 . 4.900 4.679 4.013 5.041 0.141 19 0 "[ . 1 . ]" 1
1127 1 98 GLN HB3 1 99 LEU H 2.300 . 3.000 2.843 2.661 3.059 0.059 18 0 "[ . 1 . ]" 1
1128 1 10 LEU HB2 1 11 ILE H 2.900 . 3.900 3.947 3.912 3.998 0.098 9 0 "[ . 1 . ]" 1
1129 1 40 ARG HB3 1 41 PHE H 2.800 . 3.800 3.667 3.304 4.000 0.200 12 0 "[ . 1 . ]" 1
1130 1 40 ARG HB2 1 41 PHE H 2.600 . 3.400 2.403 1.808 3.469 0.069 4 0 "[ . 1 . ]" 1
1131 1 14 LYS HG3 1 22 GLY H 4.500 . 6.000 5.831 5.256 6.064 0.064 9 0 "[ . 1 . ]" 1
1132 1 21 ASP HB2 1 22 GLY H 3.500 . 5.100 3.762 3.307 4.380 . 0 0 "[ . 1 . ]" 1
1133 1 15 VAL HB 1 22 GLY H 3.100 . 4.300 3.552 2.972 3.890 . 0 0 "[ . 1 . ]" 1
1134 1 21 ASP HB3 1 22 GLY H 3.900 . 5.800 3.462 3.251 3.778 . 0 0 "[ . 1 . ]" 1
1135 1 86 VAL MG1 1 87 LYS H 2.900 . 4.000 2.680 1.841 3.549 . 0 0 "[ . 1 . ]" 1
1136 1 86 VAL HB 1 87 LYS H 2.000 . 2.500 1.904 1.847 2.052 . 0 0 "[ . 1 . ]" 1
1137 1 102 LYS HB2 1 103 PHE H 3.000 . 4.100 3.697 2.358 3.984 . 0 0 "[ . 1 . ]" 1
1138 1 102 LYS HB3 1 103 PHE H 3.100 . 4.300 2.611 2.238 3.874 . 0 0 "[ . 1 . ]" 1
1139 1 97 GLN HB3 1 98 GLN H 3.500 . 5.000 4.380 4.282 4.524 . 0 0 "[ . 1 . ]" 1
1140 1 101 PRO HA 1 102 LYS H 3.900 . 5.800 3.419 3.295 3.567 . 0 0 "[ . 1 . ]" 1
1141 1 99 LEU HA 1 102 LYS H 3.500 . 5.000 3.202 2.561 3.610 . 0 0 "[ . 1 . ]" 1
1142 1 101 PRO HB3 1 102 LYS H 3.500 . 5.000 4.291 3.939 4.518 . 0 0 "[ . 1 . ]" 1
1143 1 101 PRO HG3 1 102 LYS H 4.100 . 6.000 4.883 4.592 5.094 . 0 0 "[ . 1 . ]" 1
1144 1 101 PRO HG2 1 102 LYS H 4.400 . 6.000 4.315 3.763 4.716 . 0 0 "[ . 1 . ]" 1
1145 1 27 MET HG3 1 30 ARG H 3.900 . 5.800 3.967 3.618 4.382 . 0 0 "[ . 1 . ]" 1
1146 1 27 MET HG2 1 30 ARG H 3.100 . 4.300 2.857 2.347 3.317 . 0 0 "[ . 1 . ]" 1
1147 1 79 PHE HB3 1 80 SER H 4.200 . 6.000 3.201 2.719 3.570 . 0 0 "[ . 1 . ]" 1
1148 1 25 TYR H 1 32 ALA H 2.900 . 3.900 3.219 2.713 3.453 . 0 0 "[ . 1 . ]" 1
1149 1 76 ASN H 1 77 PHE H 4.100 . 6.000 4.448 4.296 4.505 . 0 0 "[ . 1 . ]" 1
1150 1 97 GLN H 1 99 LEU H 4.200 2.800 5.600 4.464 4.276 4.629 . 0 0 "[ . 1 . ]" 1
1151 1 16 ARG HG3 1 17 GLN H 3.900 . 5.800 2.459 1.985 2.823 0.015 15 0 "[ . 1 . ]" 1
1152 1 11 ILE MD 1 12 VAL H 4.400 . 6.000 3.250 1.843 4.233 0.157 10 0 "[ . 1 . ]" 1
1153 1 13 LYS HG3 1 14 LYS H 3.200 . 4.500 4.028 1.893 4.523 0.023 11 0 "[ . 1 . ]" 1
1154 1 46 MET HG3 1 47 TYR H 4.900 . 6.000 3.914 3.453 4.760 . 0 0 "[ . 1 . ]" 1
1155 1 46 MET HG2 1 47 TYR H 5.000 . 6.000 4.338 3.502 5.149 . 0 0 "[ . 1 . ]" 1
1156 1 46 MET HB3 1 47 TYR H 3.200 . 4.500 3.805 3.539 4.039 . 0 0 "[ . 1 . ]" 1
1157 1 50 ILE HB 1 51 LYS H 4.400 . 6.000 3.469 2.685 4.386 . 0 0 "[ . 1 . ]" 1
1158 1 50 ILE HG12 1 51 LYS H 4.900 . 6.000 4.945 2.738 5.458 . 0 0 "[ . 1 . ]" 1
1159 1 50 ILE HG13 1 51 LYS H 5.000 . 6.000 4.802 3.984 6.024 0.024 11 0 "[ . 1 . ]" 1
1160 1 66 GLN HB2 1 67 LEU H 3.700 . 5.400 4.423 4.347 4.530 . 0 0 "[ . 1 . ]" 1
1161 1 69 LEU HG 1 70 HIS H 4.500 . 6.000 5.478 5.244 5.562 . 0 0 "[ . 1 . ]" 1
1162 1 15 VAL HB 1 78 HIS H 4.600 . 6.000 5.465 4.668 5.827 . 0 0 "[ . 1 . ]" 1
1163 1 79 PHE HB2 1 80 SER H 4.200 . 6.000 3.946 3.601 4.200 . 0 0 "[ . 1 . ]" 1
1164 1 88 GLU HB3 1 90 ASP H 4.100 . 6.000 5.551 5.156 5.946 . 0 0 "[ . 1 . ]" 1
1165 1 90 ASP HB3 1 91 ALA H 2.800 . 3.800 3.061 2.187 3.732 . 0 0 "[ . 1 . ]" 1
1166 1 90 ASP HA 1 91 ALA H 3.600 . 5.200 3.486 3.387 3.591 . 0 0 "[ . 1 . ]" 1
1167 1 88 GLU HA 1 91 ALA H 3.200 . 4.500 3.818 3.387 4.191 . 0 0 "[ . 1 . ]" 1
1168 1 96 LEU MD2 1 97 GLN HE21 3.800 . 5.600 5.003 4.187 5.484 . 0 0 "[ . 1 . ]" 1
1169 1 96 LEU HG 1 97 GLN HE21 3.600 . 5.300 4.603 3.695 5.335 0.035 8 0 "[ . 1 . ]" 1
1170 1 99 LEU HG 1 100 LEU H 3.600 . 5.300 3.827 3.269 4.106 . 0 0 "[ . 1 . ]" 1
1171 1 15 VAL H 1 22 GLY HA2 3.300 . 4.600 4.238 4.100 4.368 . 0 0 "[ . 1 . ]" 1
1172 1 54 LYS H 1 55 ILE H 4.200 . 6.000 4.090 3.926 4.408 . 0 0 "[ . 1 . ]" 1
1173 1 30 ARG H 1 47 TYR QD 3.200 . 4.500 4.322 3.437 4.555 0.055 6 0 "[ . 1 . ]" 1
1174 1 77 PHE QE 1 78 HIS H 4.800 . 6.000 3.980 3.865 4.033 . 0 0 "[ . 1 . ]" 1
1175 1 15 VAL MG1 1 78 HIS H 3.800 . 5.600 2.609 2.279 2.869 . 0 0 "[ . 1 . ]" 1
1176 1 66 GLN H 1 67 LEU H 3.900 . 5.800 4.214 4.106 4.270 . 0 0 "[ . 1 . ]" 1
1177 1 11 ILE HG12 1 12 VAL H 2.500 . 3.300 2.426 1.955 3.797 0.497 10 0 "[ . 1 . ]" 1
1178 1 96 LEU HB2 1 97 GLN HE21 3.400 . 4.900 3.132 2.732 3.734 . 0 0 "[ . 1 . ]" 1
1179 1 96 LEU HB3 1 97 GLN HE21 3.200 . 4.500 4.508 4.129 4.752 0.252 16 0 "[ . 1 . ]" 1
1180 1 5 SER HB2 1 6 GLU H 3.700 . 5.400 2.305 2.040 2.741 . 0 0 "[ . 1 . ]" 1
1181 1 20 GLN HB3 1 21 ASP H 2.900 . 3.900 2.929 2.334 3.863 . 0 0 "[ . 1 . ]" 1
1182 1 20 GLN HB2 1 21 ASP H 4.600 . 6.000 3.811 3.566 4.020 . 0 0 "[ . 1 . ]" 1
1183 1 46 MET HG2 1 49 ASP H 5.100 . 6.000 4.184 3.799 4.873 . 0 0 "[ . 1 . ]" 1
1184 1 31 ILE MD 1 32 ALA H 3.200 . 4.500 3.444 2.389 4.636 0.136 6 0 "[ . 1 . ]" 1
1185 1 47 TYR QD 1 102 LYS QD 3.600 . 5.200 5.022 4.077 5.264 0.064 6 0 "[ . 1 . ]" 1
1186 1 79 PHE HZ 1 89 ARG QD 3.600 . 5.300 4.994 3.975 5.525 0.225 11 0 "[ . 1 . ]" 1
1187 1 51 LYS QG 1 70 HIS H 4.600 . 6.000 5.733 5.335 6.019 0.019 2 0 "[ . 1 . ]" 1
1188 1 93 LYS QG 1 94 ASP H 3.200 . 4.500 3.009 2.105 3.531 . 0 0 "[ . 1 . ]" 1
1189 1 100 LEU H 1 101 PRO QG 3.500 . 5.000 4.135 3.994 4.201 . 0 0 "[ . 1 . ]" 1
1190 1 54 LYS QD 1 55 ILE H 3.700 . 5.400 4.273 1.990 5.119 0.010 5 0 "[ . 1 . ]" 1
1191 1 62 LYS QG 1 63 ILE H 4.300 . 6.000 3.514 1.949 4.278 0.051 11 0 "[ . 1 . ]" 1
1192 1 62 LYS QB 1 63 ILE H 3.800 . 5.600 3.411 1.708 4.097 0.292 5 0 "[ . 1 . ]" 1
1193 1 104 LYS QE 1 105 ARG H 4.200 . 6.000 4.997 2.877 6.079 0.079 3 0 "[ . 1 . ]" 1
1194 1 101 PRO QG 1 102 LYS H 4.200 . 6.000 4.037 3.603 4.340 . 0 0 "[ . 1 . ]" 1
1195 1 18 LYS QD 1 19 LYS H 3.900 . 5.800 5.057 4.674 5.495 . 0 0 "[ . 1 . ]" 1
1196 1 18 LYS QG 1 19 LYS H 3.400 . 4.800 4.582 4.398 4.740 . 0 0 "[ . 1 . ]" 1
1197 1 45 HIS HA 1 46 MET QG 4.800 . 6.000 5.191 4.728 5.525 . 0 0 "[ . 1 . ]" 1
1198 1 60 LYS QD 1 61 ALA H 3.500 . 5.100 3.723 3.098 4.543 . 0 0 "[ . 1 . ]" 1
1199 1 60 LYS QG 1 61 ALA H 3.900 . 5.800 3.703 2.539 3.986 . 0 0 "[ . 1 . ]" 1
1200 1 79 PHE QE 1 89 ARG QG 4.700 . 6.000 4.655 2.555 5.261 . 0 0 "[ . 1 . ]" 1
1201 1 24 LEU QB 1 77 PHE HZ 4.200 . 6.000 4.616 4.495 4.910 . 0 0 "[ . 1 . ]" 1
1202 1 79 PHE QE 1 89 ARG QD 3.000 . 4.200 3.548 2.396 4.490 0.290 11 0 "[ . 1 . ]" 1
1203 1 89 ARG QD 1 92 VAL H 3.800 . 5.600 4.623 4.169 5.961 0.361 6 0 "[ . 1 . ]" 1
1204 1 102 LYS QG 1 103 PHE QD 2.600 . 3.400 2.363 1.863 3.625 0.225 15 0 "[ . 1 . ]" 1
1205 1 102 LYS QG 1 103 PHE QE 2.600 . 3.400 3.470 3.106 3.563 0.163 6 0 "[ . 1 . ]" 1
1206 1 55 ILE MG 1 93 LYS QE 3.100 . 4.300 3.618 1.883 4.342 0.042 8 0 "[ . 1 . ]" 1
1207 1 30 ARG QG 1 45 HIS HB2 3.600 . 5.300 5.491 5.380 5.608 0.308 11 0 "[ . 1 . ]" 1
1208 1 89 ARG QD 1 92 VAL MG2 3.400 . 4.800 3.157 2.402 4.688 . 0 0 "[ . 1 . ]" 1
1209 1 12 VAL MG2 1 88 GLU QB 4.200 . 6.000 5.390 2.889 6.224 0.224 10 0 "[ . 1 . ]" 1
1210 1 17 GLN QG 1 21 ASP HA 3.200 . 4.400 3.425 3.125 3.950 . 0 0 "[ . 1 . ]" 1
1211 1 57 PRO HG3 1 93 LYS QD 2.300 . 2.900 2.988 2.758 3.119 0.219 9 0 "[ . 1 . ]" 1
1212 1 57 PRO HG3 1 65 LEU QB 2.600 . 3.400 3.472 3.362 3.543 0.143 13 0 "[ . 1 . ]" 1
1213 1 87 LYS QB 1 88 GLU HA 3.000 . 4.100 3.761 3.532 3.982 . 0 0 "[ . 1 . ]" 1
1214 1 51 LYS QD 1 67 LEU HA 4.300 . 6.000 6.165 6.094 6.222 0.222 8 0 "[ . 1 . ]" 1
1215 1 12 VAL QG 1 24 LEU HA 4.400 . 6.000 4.031 3.346 5.023 . 0 0 "[ . 1 . ]" 1
1216 1 30 ARG QG 1 46 MET HA 3.200 . 4.500 3.857 3.652 4.013 . 0 0 "[ . 1 . ]" 1
1217 1 30 ARG QG 1 31 ILE HA 2.800 . 3.800 3.621 3.418 3.741 . 0 0 "[ . 1 . ]" 1
1218 1 19 LYS QG 1 21 ASP HA 3.600 . 5.200 5.267 5.220 5.357 0.157 7 0 "[ . 1 . ]" 1
1219 1 27 MET HB3 1 30 ARG QG 2.600 . 3.400 2.054 1.793 3.572 0.172 14 0 "[ . 1 . ]" 1
1220 1 12 VAL QG 1 92 VAL HB 3.900 . 5.800 3.433 2.419 3.911 . 0 0 "[ . 1 . ]" 1
1221 1 54 LYS QG 1 67 LEU H 4.000 . 6.000 6.077 6.045 6.162 0.162 11 0 "[ . 1 . ]" 1
1222 1 62 LYS QD 1 64 GLN HE21 4.300 . 6.000 5.342 4.381 6.034 0.034 1 0 "[ . 1 . ]" 1
1223 1 83 SER QB 1 85 ALA H 3.300 . 4.600 4.702 4.619 4.997 0.397 4 0 "[ . 1 . ]" 1
1224 1 30 ARG QG 1 47 TYR H 5.100 . 6.000 4.675 4.530 4.885 . 0 0 "[ . 1 . ]" 1
1225 1 19 LYS QD 1 33 TRP HE1 3.800 . 5.600 5.819 5.751 5.886 0.286 2 0 "[ . 1 . ]" 1
1226 1 19 LYS QG 1 33 TRP HE1 3.700 . 5.400 5.756 5.664 5.853 0.453 5 0 "[ . 1 . ]" 1
1227 1 62 LYS H 1 64 GLN QB 4.300 . 6.000 4.541 3.522 5.720 . 0 0 "[ . 1 . ]" 1
1228 1 82 GLU H 1 83 SER QB 4.500 . 6.000 5.165 3.975 5.850 . 0 0 "[ . 1 . ]" 1
1229 1 19 LYS QG 1 20 GLN H 4.600 . 6.000 1.698 1.660 1.724 0.240 4 0 "[ . 1 . ]" 1
1230 1 30 ARG QG 1 45 HIS HD2 3.500 . 5.000 4.585 4.005 5.016 0.016 5 0 "[ . 1 . ]" 1
1231 1 51 LYS QD 1 52 CYS H 2.800 . 3.800 2.402 2.064 2.709 . 0 0 "[ . 1 . ]" 1
1232 1 67 LEU QB 1 68 VAL H 3.800 . 5.700 3.528 3.198 3.795 . 0 0 "[ . 1 . ]" 1
1233 1 12 VAL QG 1 92 VAL HA 4.800 . 6.000 4.097 3.477 4.600 . 0 0 "[ . 1 . ]" 1
1234 1 102 LYS QD 1 103 PHE QE 2.900 . 4.000 3.760 2.331 4.062 0.062 1 0 "[ . 1 . ]" 1
1235 1 12 VAL QG 1 92 VAL H 5.600 . 6.000 4.149 3.587 4.810 . 0 0 "[ . 1 . ]" 1
1236 1 62 LYS QB 1 78 HIS HD2 5.300 . 6.000 4.910 3.541 5.633 . 0 0 "[ . 1 . ]" 1
1237 1 62 LYS QD 1 78 HIS HD2 3.300 . 4.700 4.508 1.896 5.076 0.376 18 0 "[ . 1 . ]" 1
1238 1 62 LYS QG 1 78 HIS HD2 2.700 . 3.600 3.541 3.103 3.828 0.228 4 0 "[ . 1 . ]" 1
1239 1 50 ILE QG 1 69 LEU MD1 3.300 . 4.600 1.888 1.776 1.979 0.224 9 0 "[ . 1 . ]" 1
1240 1 104 LYS QB 1 105 ARG H 2.800 . 3.800 3.244 1.860 3.846 0.046 17 0 "[ . 1 . ]" 1
1241 1 51 LYS QG 1 52 CYS H 2.500 . 3.300 3.488 3.395 3.594 0.294 18 0 "[ . 1 . ]" 1
1242 1 30 ARG QG 1 31 ILE H 2.500 . 3.300 3.063 2.677 3.314 0.014 5 0 "[ . 1 . ]" 1
1243 1 70 HIS QB 1 71 ALA H 3.700 . 5.400 3.073 2.465 3.509 . 0 0 "[ . 1 . ]" 1
1244 1 83 SER QB 1 84 THR H 3.200 . 4.500 3.536 2.579 3.908 . 0 0 "[ . 1 . ]" 1
1245 1 60 LYS QG 1 63 ILE H 4.300 . 6.000 5.059 4.584 5.846 . 0 0 "[ . 1 . ]" 1
1246 1 40 ARG QG 1 41 PHE H 3.700 . 5.400 3.039 1.978 4.645 0.022 2 0 "[ . 1 . ]" 1
1247 1 93 LYS QD 1 94 ASP H 3.700 . 5.400 4.360 3.190 5.093 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 2.442
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 18 LYS 0.072 0.038 5 0 "[ . 1 . ]"
1 20 GLN 0.072 0.038 5 0 "[ . 1 . ]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 82 GLU 0.056 0.036 4 0 "[ . 1 . ]"
1 83 SER 0.056 0.036 4 0 "[ . 1 . ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 101 PRO 0.056 0.036 4 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 55 ILE HG13 1 56 SER H 3.900 . 5.800 3.522 3.146 4.153 . 0 0 "[ . 1 . ]" 2
2 1 82 GLU HG3 1 83 SER QB 4.200 . 6.000 4.686 2.237 6.036 0.036 4 0 "[ . 1 . ]" 2
3 1 88 GLU HB3 1 89 ARG HG3 2.800 . 3.700 2.296 2.155 2.510 . 0 0 "[ . 1 . ]" 2
4 1 18 LYS QD 1 18 LYS HG2 2.000 . 2.500 2.343 2.168 2.538 0.038 5 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 103.504
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0619
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 12 VAL 0.067 0.054 6 0 "[ . 1 . ]"
1 15 VAL 1.085 0.200 13 0 "[ . 1 . ]"
1 16 ARG 0.293 0.135 5 0 "[ . 1 . ]"
1 17 GLN 0.501 0.069 1 0 "[ . 1 . ]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ASP 0.293 0.135 5 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LEU 0.067 0.054 6 0 "[ . 1 . ]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 27 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 30 ARG 0.100 0.044 19 0 "[ . 1 . ]"
1 31 ILE 1.057 0.165 5 0 "[ . 1 . ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 33 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 46 MET 1.057 0.165 5 0 "[ . 1 . ]"
1 47 TYR 0.100 0.044 19 0 "[ . 1 . ]"
1 53 GLN 1.007 0.182 7 0 "[ . 1 . ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 55 ILE 0.058 0.045 1 0 "[ . 1 . ]"
1 56 SER 0.728 0.136 6 0 "[ . 1 . ]"
1 64 GLN 0.552 0.168 8 0 "[ . 1 . ]"
1 65 LEU 0.728 0.136 6 0 "[ . 1 . ]"
1 66 GLN 0.058 0.045 1 0 "[ . 1 . ]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 68 VAL 1.007 0.182 7 0 "[ . 1 . ]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 77 PHE 0.501 0.069 1 0 "[ . 1 . ]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 79 PHE 1.636 0.200 13 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 8 VAL HA 1 27 MET HA 2.300 . 3.050 2.241 1.910 2.630 . 0 0 "[ . 1 . ]" 3
2 1 9 LEU H 1 27 MET HA 3.200 . 3.950 2.135 1.833 2.316 . 0 0 "[ . 1 . ]" 3
3 1 12 VAL H 1 24 LEU H 3.300 . 4.050 3.708 2.871 4.104 0.054 6 0 "[ . 1 . ]" 3
4 1 16 ARG HA 1 21 ASP HA 2.300 . 2.600 1.840 1.665 2.060 0.135 5 0 "[ . 1 . ]" 3
5 1 10 LEU H 1 26 LEU H 3.300 . 4.050 3.338 2.662 3.645 . 0 0 "[ . 1 . ]" 3
6 1 15 VAL H 1 22 GLY H 3.300 . 4.050 3.080 2.887 3.257 . 0 0 "[ . 1 . ]" 3
7 1 16 ARG HA 1 22 GLY H 3.200 . 3.950 3.125 2.591 3.681 . 0 0 "[ . 1 . ]" 3
8 1 17 GLN H 1 21 ASP HA 3.200 . 3.950 2.701 2.536 2.898 . 0 0 "[ . 1 . ]" 3
9 1 17 GLN H 1 20 GLN H 3.300 . 4.050 3.348 3.262 3.442 . 0 0 "[ . 1 . ]" 3
10 1 23 ALA H 1 34 ALA H 3.300 . 4.050 3.665 3.187 3.916 . 0 0 "[ . 1 . ]" 3
11 1 24 LEU HA 1 33 TRP HA 2.300 . 2.600 2.312 2.180 2.492 . 0 0 "[ . 1 . ]" 3
12 1 24 LEU HA 1 34 ALA H 3.200 . 3.950 3.325 3.087 3.715 . 0 0 "[ . 1 . ]" 3
13 1 26 LEU HA 1 31 ILE HA 2.300 . 2.600 2.346 2.123 2.586 . 0 0 "[ . 1 . ]" 3
14 1 27 MET H 1 31 ILE HA 3.200 . 3.950 2.791 2.594 2.993 . 0 0 "[ . 1 . ]" 3
15 1 31 ILE H 1 46 MET HA 3.200 . 3.950 3.996 3.881 4.115 0.165 5 0 "[ . 1 . ]" 3
16 1 30 ARG HA 1 47 TYR H 3.200 . 3.950 1.872 1.756 2.019 0.044 19 0 "[ . 1 . ]" 3
17 1 32 ALA HA 1 45 HIS H 3.200 . 3.950 3.598 3.437 3.775 . 0 0 "[ . 1 . ]" 3
18 1 33 TRP H 1 43 ILE H 3.300 . 4.050 2.303 2.208 2.484 . 0 0 "[ . 1 . ]" 3
19 1 53 GLN HA 1 68 VAL H 3.200 . 3.950 3.990 3.847 4.132 0.182 7 0 "[ . 1 . ]" 3
20 1 55 ILE HA 1 66 GLN H 3.200 . 3.950 3.565 3.323 3.995 0.045 1 0 "[ . 1 . ]" 3
21 1 56 SER H 1 65 LEU HA 3.200 . 3.950 3.764 3.132 4.086 0.136 6 0 "[ . 1 . ]" 3
22 1 54 LYS H 1 67 LEU HA 3.200 . 3.950 3.440 3.045 3.752 . 0 0 "[ . 1 . ]" 3
23 1 64 GLN HA 1 79 PHE H 3.200 . 3.950 3.806 3.297 4.118 0.168 8 0 "[ . 1 . ]" 3
24 1 65 LEU H 1 77 PHE H 3.300 . 4.050 2.858 2.569 3.156 . 0 0 "[ . 1 . ]" 3
25 1 66 GLN HA 1 77 PHE H 3.200 . 3.950 3.659 3.321 3.812 . 0 0 "[ . 1 . ]" 3
26 1 67 LEU H 1 75 THR H 3.300 . 4.050 2.623 2.456 2.848 . 0 0 "[ . 1 . ]" 3
27 1 68 VAL HA 1 75 THR H 3.200 . 3.950 3.053 2.759 3.273 . 0 0 "[ . 1 . ]" 3
28 1 17 GLN HA 1 77 PHE HA 2.300 . 3.100 3.104 2.916 3.169 0.069 1 0 "[ . 1 . ]" 3
29 1 65 LEU H 1 78 HIS HA 3.200 . 3.950 3.542 3.268 3.754 . 0 0 "[ . 1 . ]" 3
30 1 15 VAL HA 1 79 PHE HA 2.300 . 2.600 2.605 2.332 2.800 0.200 13 0 "[ . 1 . ]" 3
31 1 16 ARG H 1 79 PHE HA 3.200 . 3.950 2.531 2.189 2.887 . 0 0 "[ . 1 . ]" 3
32 1 17 GLN HA 1 78 HIS H 3.200 . 3.950 2.937 2.589 3.270 . 0 0 "[ . 1 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 70
_Distance_constraint_stats_list.Viol_count 561
_Distance_constraint_stats_list.Viol_total 1242.661
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0836
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0492
_Distance_constraint_stats_list.Viol_average_violations_only 0.1166
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 LEU 5.473 0.267 12 0 "[ . 1 . ]"
1 12 VAL 2.208 0.260 6 0 "[ . 1 . ]"
1 15 VAL 6.168 0.496 7 0 "[ . 1 . ]"
1 16 ARG 4.288 0.233 9 0 "[ . 1 . ]"
1 22 GLY 6.168 0.496 7 0 "[ . 1 . ]"
1 23 ALA 1.246 0.136 10 0 "[ . 1 . ]"
1 24 LEU 2.208 0.260 6 0 "[ . 1 . ]"
1 25 TYR 1.221 0.138 1 0 "[ . 1 . ]"
1 26 LEU 5.473 0.267 12 0 "[ . 1 . ]"
1 27 MET 2.516 0.193 6 0 "[ . 1 . ]"
1 29 GLU 1.455 0.166 3 0 "[ . 1 . ]"
1 30 ARG 2.516 0.193 6 0 "[ . 1 . ]"
1 31 ILE 0.972 0.158 6 0 "[ . 1 . ]"
1 32 ALA 1.221 0.138 1 0 "[ . 1 . ]"
1 33 TRP 2.081 0.214 17 0 "[ . 1 . ]"
1 34 ALA 1.246 0.136 10 0 "[ . 1 . ]"
1 43 ILE 2.081 0.214 17 0 "[ . 1 . ]"
1 45 HIS 0.972 0.158 6 0 "[ . 1 . ]"
1 46 MET 3.962 0.220 11 0 "[ . 1 . ]"
1 47 TYR 4.021 0.344 8 0 "[ . 1 . ]"
1 49 ASP 3.962 0.220 11 0 "[ . 1 . ]"
1 50 ILE 2.567 0.344 8 0 "[ . 1 . ]"
1 51 LYS 3.453 0.175 11 0 "[ . 1 . ]"
1 52 CYS 3.308 0.272 7 0 "[ . 1 . ]"
1 65 LEU 2.120 0.162 16 0 "[ . 1 . ]"
1 67 LEU 0.036 0.018 1 0 "[ . 1 . ]"
1 68 VAL 6.760 0.272 7 0 "[ . 1 . ]"
1 69 LEU 1.335 0.146 16 0 "[ . 1 . ]"
1 73 ASP 1.335 0.146 16 0 "[ . 1 . ]"
1 75 THR 0.036 0.018 1 0 "[ . 1 . ]"
1 77 PHE 2.120 0.162 16 0 "[ . 1 . ]"
1 78 HIS 4.288 0.233 9 0 "[ . 1 . ]"
1 86 VAL 1.076 0.211 11 0 "[ . 1 . ]"
1 87 LYS 1.794 0.167 2 0 "[ . 1 . ]"
1 88 GLU 3.314 0.343 10 0 "[ . 1 . ]"
1 89 ARG 0.591 0.118 15 0 "[ . 1 . ]"
1 90 ASP 3.217 0.304 12 0 "[ . 1 . ]"
1 91 ALA 4.029 0.271 4 0 "[ . 1 . ]"
1 92 VAL 4.234 0.343 10 0 "[ . 1 . ]"
1 93 LYS 6.935 0.476 14 0 "[ . 1 . ]"
1 94 ASP 2.142 0.304 12 0 "[ . 1 . ]"
1 95 LEU 3.726 0.271 4 0 "[ . 1 . ]"
1 96 LEU 2.009 0.203 4 0 "[ . 1 . ]"
1 97 GLN 6.344 0.476 14 0 "[ . 1 . ]"
1 99 LEU 1.491 0.230 14 0 "[ . 1 . ]"
1 100 LEU 1.089 0.203 4 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 86 VAL O 1 90 ASP H 1.900 . 2.000 1.769 1.524 2.211 0.211 11 0 "[ . 1 . ]" 4
2 1 86 VAL O 1 90 ASP N 2.900 2.600 3.400 2.647 2.470 2.976 0.130 17 0 "[ . 1 . ]" 4
3 1 87 LYS O 1 91 ALA H 1.900 . 2.000 1.917 1.629 2.137 0.137 17 0 "[ . 1 . ]" 4
4 1 87 LYS O 1 91 ALA N 2.900 2.600 3.400 2.577 2.433 2.955 0.167 2 0 "[ . 1 . ]" 4
5 1 88 GLU O 1 92 VAL H 1.900 . 2.000 2.174 1.999 2.343 0.343 10 0 "[ . 1 . ]" 4
6 1 88 GLU O 1 92 VAL N 2.900 2.600 3.400 3.069 2.794 3.330 . 0 0 "[ . 1 . ]" 4
7 1 89 ARG O 1 93 LYS H 1.900 . 2.000 1.871 1.621 2.118 0.118 15 0 "[ . 1 . ]" 4
8 1 89 ARG O 1 93 LYS N 2.900 2.600 3.400 2.785 2.534 3.035 0.066 11 0 "[ . 1 . ]" 4
9 1 90 ASP O 1 94 ASP H 1.900 . 2.000 2.033 1.650 2.304 0.304 12 0 "[ . 1 . ]" 4
10 1 90 ASP O 1 94 ASP N 2.900 2.600 3.400 2.897 2.577 3.182 0.023 11 0 "[ . 1 . ]" 4
11 1 91 ALA O 1 95 LEU H 1.900 . 2.000 2.100 1.911 2.271 0.271 4 0 "[ . 1 . ]" 4
12 1 91 ALA O 1 95 LEU N 2.900 2.600 3.400 2.784 2.563 3.007 0.037 13 0 "[ . 1 . ]" 4
13 1 92 VAL O 1 96 LEU H 1.900 . 2.000 1.989 1.666 2.160 0.160 1 0 "[ . 1 . ]" 4
14 1 92 VAL O 1 96 LEU N 2.900 2.600 3.400 2.943 2.603 3.102 . 0 0 "[ . 1 . ]" 4
15 1 93 LYS O 1 97 GLN H 1.900 . 2.000 2.334 2.204 2.476 0.476 14 0 "[ . 1 . ]" 4
16 1 93 LYS O 1 97 GLN N 2.900 2.600 3.400 3.218 3.087 3.386 . 0 0 "[ . 1 . ]" 4
17 1 95 LEU O 1 99 LEU H 1.900 . 2.000 2.026 1.723 2.230 0.230 14 0 "[ . 1 . ]" 4
18 1 95 LEU O 1 99 LEU N 2.900 2.600 3.400 2.845 2.553 3.063 0.047 11 0 "[ . 1 . ]" 4
19 1 96 LEU O 1 100 LEU H 1.900 . 2.000 2.029 1.775 2.203 0.203 4 0 "[ . 1 . ]" 4
20 1 96 LEU O 1 100 LEU N 2.900 2.600 3.400 2.959 2.684 3.151 . 0 0 "[ . 1 . ]" 4
21 1 10 LEU H 1 26 LEU O 1.900 . 2.000 2.232 2.136 2.267 0.267 12 0 "[ . 1 . ]" 4
22 1 10 LEU N 1 26 LEU O 2.900 2.600 3.200 3.189 3.083 3.247 0.047 5 0 "[ . 1 . ]" 4
23 1 10 LEU O 1 26 LEU H 1.900 . 2.000 1.680 1.566 1.893 . 0 0 "[ . 1 . ]" 4
24 1 10 LEU O 1 26 LEU N 2.900 2.600 3.200 2.570 2.473 2.763 0.127 19 0 "[ . 1 . ]" 4
25 1 12 VAL H 1 24 LEU O 1.900 . 2.000 1.676 1.456 2.063 0.063 6 0 "[ . 1 . ]" 4
26 1 12 VAL N 1 24 LEU O 2.900 2.600 3.200 2.598 2.430 2.937 0.170 1 0 "[ . 1 . ]" 4
27 1 12 VAL O 1 24 LEU H 1.900 . 2.000 1.981 1.781 2.260 0.260 6 0 "[ . 1 . ]" 4
28 1 12 VAL O 1 24 LEU N 2.900 2.600 3.200 2.738 2.579 3.010 0.021 1 0 "[ . 1 . ]" 4
29 1 15 VAL H 1 22 GLY O 1.900 . 2.000 2.301 1.793 2.496 0.496 7 0 "[ . 1 . ]" 4
30 1 15 VAL N 1 22 GLY O 2.900 2.600 3.200 2.684 2.589 2.803 0.011 10 0 "[ . 1 . ]" 4
31 1 16 ARG H 1 78 HIS O 1.900 . 2.000 1.548 1.415 1.918 . 0 0 "[ . 1 . ]" 4
32 1 16 ARG N 1 78 HIS O 2.900 2.600 3.200 2.475 2.367 2.813 0.233 9 0 "[ . 1 . ]" 4
33 1 16 ARG O 1 78 HIS H 1.900 . 2.000 1.904 1.743 2.035 0.035 2 0 "[ . 1 . ]" 4
34 1 16 ARG O 1 78 HIS N 2.900 2.600 3.200 2.530 2.421 2.652 0.179 5 0 "[ . 1 . ]" 4
35 1 23 ALA H 1 34 ALA O 1.900 . 2.000 1.919 1.647 2.085 0.085 12 0 "[ . 1 . ]" 4
36 1 23 ALA N 1 34 ALA O 2.900 2.600 3.200 2.585 2.464 2.724 0.136 10 0 "[ . 1 . ]" 4
37 1 23 ALA O 1 34 ALA H 1.900 . 2.000 1.715 1.599 1.919 . 0 0 "[ . 1 . ]" 4
38 1 23 ALA O 1 34 ALA N 2.900 2.600 3.200 2.643 2.519 2.870 0.081 19 0 "[ . 1 . ]" 4
39 1 25 TYR H 1 32 ALA O 1.900 . 2.000 1.625 1.544 1.792 . 0 0 "[ . 1 . ]" 4
40 1 25 TYR N 1 32 ALA O 2.900 2.600 3.200 2.588 2.521 2.761 0.079 15 0 "[ . 1 . ]" 4
41 1 25 TYR O 1 32 ALA H 1.900 . 2.000 1.682 1.545 1.957 . 0 0 "[ . 1 . ]" 4
42 1 25 TYR O 1 32 ALA N 2.900 2.600 3.200 2.605 2.462 2.838 0.138 1 0 "[ . 1 . ]" 4
43 1 27 MET H 1 30 ARG O 1.900 . 2.000 1.766 1.584 2.017 0.017 6 0 "[ . 1 . ]" 4
44 1 27 MET N 1 30 ARG O 2.900 2.600 3.200 2.574 2.472 2.761 0.128 15 0 "[ . 1 . ]" 4
45 1 27 MET O 1 30 ARG H 1.900 . 2.000 2.081 1.855 2.193 0.193 6 0 "[ . 1 . ]" 4
46 1 27 MET O 1 30 ARG N 2.900 2.600 3.200 2.853 2.690 2.953 . 0 0 "[ . 1 . ]" 4
47 1 29 GLU O 1 47 TYR H 1.900 . 2.000 1.769 1.616 2.027 0.027 11 0 "[ . 1 . ]" 4
48 1 29 GLU O 1 47 TYR N 2.900 2.600 3.200 2.532 2.434 2.720 0.166 3 0 "[ . 1 . ]" 4
49 1 31 ILE H 1 45 HIS O 1.900 . 2.000 2.050 2.010 2.158 0.158 6 0 "[ . 1 . ]" 4
50 1 31 ILE N 1 45 HIS O 2.900 2.600 3.200 2.960 2.885 3.033 . 0 0 "[ . 1 . ]" 4
51 1 31 ILE O 1 45 HIS H 1.900 . 2.000 1.871 1.684 1.978 . 0 0 "[ . 1 . ]" 4
52 1 31 ILE O 1 45 HIS N 2.900 2.600 3.200 2.785 2.570 2.898 0.030 6 0 "[ . 1 . ]" 4
53 1 33 TRP H 1 43 ILE O 1.900 . 2.000 2.094 1.713 2.214 0.214 17 0 "[ . 1 . ]" 4
54 1 33 TRP N 1 43 ILE O 2.900 2.600 3.200 2.961 2.631 3.079 . 0 0 "[ . 1 . ]" 4
55 1 46 MET O 1 49 ASP H 1.900 . 2.000 1.947 1.761 2.154 0.154 8 0 "[ . 1 . ]" 4
56 1 46 MET O 1 49 ASP N 2.900 2.600 3.200 2.412 2.380 2.464 0.220 11 0 "[ . 1 . ]" 4
57 1 47 TYR O 1 50 ILE H 1.900 . 2.000 2.134 1.982 2.344 0.344 8 0 "[ . 1 . ]" 4
58 1 47 TYR O 1 50 ILE N 2.900 2.600 3.200 2.951 2.834 3.064 . 0 0 "[ . 1 . ]" 4
59 1 51 LYS H 1 68 VAL O 1.900 . 2.000 2.084 1.927 2.175 0.175 11 0 "[ . 1 . ]" 4
60 1 51 LYS N 1 68 VAL O 2.900 2.600 3.200 2.508 2.448 2.645 0.152 16 0 "[ . 1 . ]" 4
61 1 65 LEU H 1 77 PHE O 1.900 . 2.000 1.908 1.749 2.102 0.102 8 0 "[ . 1 . ]" 4
62 1 65 LEU N 1 77 PHE O 2.900 2.600 3.200 2.826 2.593 3.060 0.007 5 0 "[ . 1 . ]" 4
63 1 65 LEU O 1 77 PHE H 1.900 . 2.000 2.101 2.033 2.162 0.162 16 0 "[ . 1 . ]" 4
64 1 65 LEU O 1 77 PHE N 2.900 2.600 3.200 3.050 2.930 3.128 . 0 0 "[ . 1 . ]" 4
65 1 67 LEU H 1 75 THR O 1.900 . 2.000 1.920 1.760 2.018 0.018 1 0 "[ . 1 . ]" 4
66 1 67 LEU N 1 75 THR O 2.900 2.600 3.200 2.843 2.689 2.957 . 0 0 "[ . 1 . ]" 4
67 1 52 CYS O 1 68 VAL H 1.900 . 2.000 2.174 2.112 2.272 0.272 7 0 "[ . 1 . ]" 4
68 1 52 CYS O 1 68 VAL N 2.900 2.600 3.200 3.033 2.971 3.132 . 0 0 "[ . 1 . ]" 4
69 1 69 LEU H 1 73 ASP O 1.900 . 2.000 1.596 1.484 1.679 . 0 0 "[ . 1 . ]" 4
70 1 69 LEU N 1 73 ASP O 2.900 2.600 3.200 2.530 2.454 2.579 0.146 16 0 "[ . 1 . ]" 4
stop_
save_
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