NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399006 |
1tuj   |
5030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tuj
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 1024
_Distance_constraint_stats_list.Viol_count 748
_Distance_constraint_stats_list.Viol_total 1304.309
_Distance_constraint_stats_list.Viol_max 3.497
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.1026
_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 1 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 3 GLN 1.160 0.183 5 0 "[ . 1 . ]"
1 4 ASP 4.367 0.323 2 0 "[ . 1 . ]"
1 5 THR 6.616 3.497 1 1 "[+ . 1 . ]"
1 6 VAL 1.080 0.118 12 0 "[ . 1 . ]"
1 7 VAL 0.526 0.046 8 0 "[ . 1 . ]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 9 LYS 0.098 0.037 6 0 "[ . 1 . ]"
1 10 TYR 0.208 0.096 11 0 "[ . 1 . ]"
1 11 MET 0.222 0.051 13 0 "[ . 1 . ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 13 TYR 0.534 0.096 11 0 "[ . 1 . ]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 15 MET 3.454 0.421 7 0 "[ . 1 . ]"
1 16 PRO 0.704 0.199 7 0 "[ . 1 . ]"
1 17 ASP 0.279 0.279 3 0 "[ . 1 . ]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 19 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 21 CYS 1.335 0.531 4 2 "[ +- 1 . ]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLU 0.990 0.191 5 0 "[ . 1 . ]"
1 25 LEU 1.650 0.232 15 0 "[ . 1 . ]"
1 26 HIS 1.418 0.232 15 0 "[ . 1 . ]"
1 27 ILE 0.757 0.154 15 0 "[ . 1 . ]"
1 28 SER 0.038 0.038 11 0 "[ . 1 . ]"
1 29 GLU 0.038 0.038 11 0 "[ . 1 . ]"
1 30 ASP 0.150 0.031 16 0 "[ . 1 . ]"
1 31 ILE 0.297 0.163 11 0 "[ . 1 . ]"
1 32 ALA 0.115 0.031 1 0 "[ . 1 . ]"
1 33 THR 0.184 0.034 5 0 "[ . 1 . ]"
1 34 ASN 0.110 0.110 17 0 "[ . 1 . ]"
1 35 ILE 0.507 0.112 14 0 "[ . 1 . ]"
1 36 GLN 1.482 0.528 16 2 "[ . - 1 .+ ]"
1 37 ALA 1.337 0.528 16 2 "[ . - 1 .+ ]"
1 38 ALA 2.727 0.630 5 4 "[ * *+ - 1 . ]"
1 39 LYS 0.667 0.252 5 0 "[ . 1 . ]"
1 40 ASN 0.400 0.074 12 0 "[ . 1 . ]"
1 41 GLY 2.795 0.630 5 4 "[ * *+ - 1 . ]"
1 42 ALA 0.902 0.490 3 0 "[ . 1 . ]"
1 43 ASP 0.531 0.254 14 0 "[ . 1 . ]"
1 44 MET 1.573 0.166 3 0 "[ . 1 . ]"
1 45 SER 0.233 0.062 2 0 "[ . 1 . ]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 47 LEU 0.837 0.490 3 0 "[ . 1 . ]"
1 48 GLY 1.453 0.231 13 0 "[ . 1 . ]"
1 49 CYS 0.383 0.366 15 0 "[ . 1 . ]"
1 50 LEU 0.632 0.366 15 0 "[ . 1 . ]"
1 51 LYS 0.020 0.020 17 0 "[ . 1 . ]"
1 52 ALA 0.027 0.027 2 0 "[ . 1 . ]"
1 53 CYS 0.016 0.016 17 0 "[ . 1 . ]"
1 54 VAL 1.501 0.531 4 2 "[ +- 1 . ]"
1 55 MET 0.325 0.200 9 0 "[ . 1 . ]"
1 56 LYS 0.228 0.037 12 0 "[ . 1 . ]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 59 GLU 2.650 0.199 10 0 "[ . 1 . ]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 62 LYS 0.390 0.082 4 0 "[ . 1 . ]"
1 63 GLY 3.131 0.262 16 0 "[ . 1 . ]"
1 64 THR 3.374 0.262 16 0 "[ . 1 . ]"
1 65 GLU 0.093 0.073 2 0 "[ . 1 . ]"
1 66 LEU 3.062 0.232 4 0 "[ . 1 . ]"
1 67 TYR 0.013 0.013 2 0 "[ . 1 . ]"
1 68 VAL 0.239 0.047 16 0 "[ . 1 . ]"
1 69 GLU 0.093 0.047 16 0 "[ . 1 . ]"
1 70 PRO 0.019 0.019 12 0 "[ . 1 . ]"
1 71 VAL 0.651 0.169 4 0 "[ . 1 . ]"
1 72 TYR 0.711 0.169 4 0 "[ . 1 . ]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 74 MET 2.971 0.669 11 1 "[ . 1+ . ]"
1 75 ILE 0.205 0.053 14 0 "[ . 1 . ]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 77 VAL 0.388 0.068 5 0 "[ . 1 . ]"
1 78 VAL 2.994 0.789 17 1 "[ . 1 . +]"
1 79 HIS 11.228 3.497 1 7 "[+ **. 1*- *.* ]"
1 80 ALA 1.678 0.229 9 0 "[ . 1 . ]"
1 81 GLY 1.765 0.229 9 0 "[ . 1 . ]"
1 82 ASN 0.148 0.032 11 0 "[ . 1 . ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 84 ASP 0.546 0.070 17 0 "[ . 1 . ]"
1 85 ASP 5.983 0.942 11 7 "[* **. 1+- *.* ]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 87 GLN 0.365 0.098 9 0 "[ . 1 . ]"
1 88 LEU 0.268 0.038 12 0 "[ . 1 . ]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 90 LYS 0.228 0.089 15 0 "[ . 1 . ]"
1 91 GLY 0.060 0.022 6 0 "[ . 1 . ]"
1 92 ILE 0.238 0.163 12 0 "[ . 1 . ]"
1 93 ALA 0.251 0.078 3 0 "[ . 1 . ]"
1 94 ASN 0.123 0.036 11 0 "[ . 1 . ]"
1 95 GLU 6.002 0.871 11 4 "[ - . 1+ * *]"
1 96 CYS 0.258 0.107 11 0 "[ . 1 . ]"
1 97 ILE 0.125 0.064 17 0 "[ . 1 . ]"
1 98 GLU 0.047 0.027 13 0 "[ . 1 . ]"
1 99 ASN 0.053 0.027 13 0 "[ . 1 . ]"
1 100 ALA 0.178 0.057 7 0 "[ . 1 . ]"
1 101 LYS 7.093 0.643 13 7 "[* * *1 +*.*-]"
1 102 GLY 0.445 0.106 6 0 "[ . 1 . ]"
1 103 GLU 0.892 0.649 3 1 "[ + . 1 . ]"
1 104 THR 0.344 0.147 4 0 "[ . 1 . ]"
1 105 ASP 1.072 0.498 17 0 "[ . 1 . ]"
1 106 GLU 0.211 0.191 10 0 "[ . 1 . ]"
1 107 CYS 0.734 0.197 17 0 "[ . 1 . ]"
1 108 ASN 1.597 0.649 3 1 "[ + . 1 . ]"
1 109 ILE 0.354 0.124 13 0 "[ . 1 . ]"
1 110 GLY 0.404 0.071 17 0 "[ . 1 . ]"
1 111 ASN 2.707 0.305 4 0 "[ . 1 . ]"
1 112 LYS 0.099 0.052 17 0 "[ . 1 . ]"
1 113 TYR 0.336 0.064 17 0 "[ . 1 . ]"
1 114 THR 0.157 0.070 3 0 "[ . 1 . ]"
1 115 ASP 1.392 0.166 3 0 "[ . 1 . ]"
1 116 CYS 0.018 0.017 11 0 "[ . 1 . ]"
1 117 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 118 ILE 1.662 0.607 3 1 "[ + . 1 . ]"
1 119 GLU 1.655 0.257 11 0 "[ . 1 . ]"
1 120 LYS 6.473 0.871 11 4 "[ * . 1+ - *]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 122 PHE 1.426 0.266 11 0 "[ . 1 . ]"
1 123 SER 0.646 0.064 16 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 82 ASN QB 1 83 ALA H 4.400 . 6.000 2.924 2.584 3.608 . 0 0 "[ . 1 . ]" 1
2 1 1 ILE HA 1 2 ASP H 3.100 . 4.300 2.484 2.148 3.569 . 0 0 "[ . 1 . ]" 1
3 1 2 ASP H 1 2 ASP HB2 3.600 . 5.200 2.512 2.429 2.634 . 0 0 "[ . 1 . ]" 1
4 1 2 ASP H 1 2 ASP HB3 4.100 . 6.000 3.500 2.551 3.775 . 0 0 "[ . 1 . ]" 1
5 1 82 ASN HA 1 83 ALA H 2.500 . 3.300 2.229 2.137 2.318 . 0 0 "[ . 1 . ]" 1
6 1 83 ALA H 1 83 ALA MB 2.800 . 3.800 2.253 2.232 2.272 . 0 0 "[ . 1 . ]" 1
7 1 62 LYS H 1 67 TYR H 4.800 . 6.000 5.189 4.497 5.610 . 0 0 "[ . 1 . ]" 1
8 1 62 LYS H 1 63 GLY H 3.800 . 5.600 3.858 3.691 4.194 . 0 0 "[ . 1 . ]" 1
9 1 62 LYS H 1 67 TYR QD 3.500 . 5.000 3.198 2.745 4.087 . 0 0 "[ . 1 . ]" 1
10 1 62 LYS H 1 67 TYR QE 3.300 . 4.700 3.048 2.429 3.612 . 0 0 "[ . 1 . ]" 1
11 1 61 LEU H 1 62 LYS H 4.000 . 6.000 3.801 3.550 4.066 . 0 0 "[ . 1 . ]" 1
12 1 61 LEU HA 1 62 LYS H 2.300 . 2.900 2.176 2.135 2.208 . 0 0 "[ . 1 . ]" 1
13 1 62 LYS H 1 62 LYS HA 2.600 . 3.500 2.924 2.894 2.947 . 0 0 "[ . 1 . ]" 1
14 1 62 LYS H 1 65 GLU QB 3.400 . 4.800 2.416 2.221 2.744 . 0 0 "[ . 1 . ]" 1
15 1 62 LYS H 1 62 LYS QB 2.400 . 3.100 2.399 2.211 2.579 . 0 0 "[ . 1 . ]" 1
16 1 61 LEU QB 1 62 LYS H 3.200 . 4.500 3.418 2.880 3.601 . 0 0 "[ . 1 . ]" 1
17 1 62 LYS H 1 62 LYS QG 3.800 . 4.400 2.887 2.406 3.673 . 0 0 "[ . 1 . ]" 1
18 1 61 LEU QB 1 62 LYS H 4.500 . 6.000 3.940 3.745 3.989 . 0 0 "[ . 1 . ]" 1
19 1 61 LEU QD 1 62 LYS H 3.300 . 4.500 2.863 2.552 3.268 . 0 0 "[ . 1 . ]" 1
20 1 106 GLU H 1 106 GLU HA 3.000 . 4.100 2.767 2.677 2.841 . 0 0 "[ . 1 . ]" 1
21 1 105 ASP HB2 1 106 GLU H 4.500 . 6.000 4.110 3.985 4.296 . 0 0 "[ . 1 . ]" 1
22 1 105 ASP HB3 1 106 GLU H 4.500 . 6.000 4.043 3.769 4.302 . 0 0 "[ . 1 . ]" 1
23 1 106 GLU H 1 106 GLU HG3 3.800 . 5.600 4.304 2.285 4.505 . 0 0 "[ . 1 . ]" 1
24 1 106 GLU H 1 106 GLU HB2 3.000 . 4.100 2.492 2.407 2.700 . 0 0 "[ . 1 . ]" 1
25 1 106 GLU H 1 106 GLU HB3 2.600 . 3.400 2.620 2.373 3.591 0.191 10 0 "[ . 1 . ]" 1
26 1 64 THR MG 1 106 GLU H 4.500 . 6.000 4.429 3.294 6.020 0.020 2 0 "[ . 1 . ]" 1
27 1 106 GLU H 1 109 ILE MD 4.600 . 6.000 4.599 3.501 5.973 . 0 0 "[ . 1 . ]" 1
28 1 50 LEU H 1 51 LYS H 2.600 . 3.500 2.841 2.650 3.040 . 0 0 "[ . 1 . ]" 1
29 1 50 LEU H 1 50 LEU QB 2.900 . 3.600 2.202 2.074 2.265 . 0 0 "[ . 1 . ]" 1
30 1 49 CYS HB2 1 50 LEU H 3.300 . 4.600 2.440 1.634 2.946 0.366 15 0 "[ . 1 . ]" 1
31 1 50 LEU H 1 50 LEU QD 3.900 . 5.800 3.319 1.900 3.758 0.100 15 0 "[ . 1 . ]" 1
32 1 3 GLN H 1 4 ASP H 2.600 . 3.400 2.637 2.405 2.759 . 0 0 "[ . 1 . ]" 1
33 1 2 ASP HA 1 3 GLN H 2.000 . 2.500 2.178 2.126 2.219 . 0 0 "[ . 1 . ]" 1
34 1 3 GLN H 1 3 GLN HA 2.900 . 3.900 2.809 2.756 2.876 . 0 0 "[ . 1 . ]" 1
35 1 2 ASP HB2 1 3 GLN H 3.900 . 5.800 4.123 3.904 4.424 . 0 0 "[ . 1 . ]" 1
36 1 3 GLN H 1 3 GLN QB 2.200 . 2.800 2.418 2.235 2.665 . 0 0 "[ . 1 . ]" 1
37 1 89 VAL HA 1 92 ILE H 3.300 . 4.700 3.050 2.925 3.225 . 0 0 "[ . 1 . ]" 1
38 1 91 GLY QA 1 92 ILE H 2.900 . 4.000 2.833 2.795 2.869 . 0 0 "[ . 1 . ]" 1
39 1 92 ILE H 1 92 ILE HA 2.900 . 4.000 2.830 2.803 2.860 . 0 0 "[ . 1 . ]" 1
40 1 92 ILE H 1 92 ILE HB 2.500 . 3.300 2.551 2.401 2.658 . 0 0 "[ . 1 . ]" 1
41 1 92 ILE H 1 92 ILE QG 2.700 . 3.600 2.121 1.991 2.340 . 0 0 "[ . 1 . ]" 1
42 1 92 ILE H 1 92 ILE MD 3.200 . 4.500 3.027 2.746 3.330 . 0 0 "[ . 1 . ]" 1
43 1 92 ILE H 1 120 LYS HB2 4.800 . 6.000 5.753 5.285 6.163 0.163 12 0 "[ . 1 . ]" 1
44 1 67 TYR HA 1 69 GLU H 5.400 . 6.000 4.070 3.740 4.349 . 0 0 "[ . 1 . ]" 1
45 1 67 TYR HB2 1 69 GLU H 5.100 . 6.000 4.273 3.324 4.831 . 0 0 "[ . 1 . ]" 1
46 1 69 GLU H 1 69 GLU HG2 3.300 . 4.700 3.252 2.153 3.858 . 0 0 "[ . 1 . ]" 1
47 1 69 GLU H 1 70 PRO HG3 5.000 . 6.000 4.644 4.464 4.824 . 0 0 "[ . 1 . ]" 1
48 1 68 VAL QG 1 69 GLU H 3.900 . 4.800 2.872 2.287 3.415 . 0 0 "[ . 1 . ]" 1
49 1 68 VAL HA 1 69 GLU H 4.000 . 6.000 3.313 2.995 3.483 . 0 0 "[ . 1 . ]" 1
50 1 69 GLU H 1 69 GLU HA 2.800 . 3.800 2.819 2.765 2.876 . 0 0 "[ . 1 . ]" 1
51 1 69 GLU H 1 70 PRO HD2 2.200 . 2.800 2.081 1.874 2.308 . 0 0 "[ . 1 . ]" 1
52 1 69 GLU H 1 70 PRO HD3 3.200 . 4.500 3.019 2.434 3.455 . 0 0 "[ . 1 . ]" 1
53 1 67 TYR HB3 1 69 GLU H 3.200 . 4.500 2.760 2.545 3.097 . 0 0 "[ . 1 . ]" 1
54 1 69 GLU H 1 69 GLU HG3 2.800 . 3.800 2.615 2.046 3.695 . 0 0 "[ . 1 . ]" 1
55 1 69 GLU H 1 69 GLU HB2 2.700 . 3.600 2.501 2.360 2.593 . 0 0 "[ . 1 . ]" 1
56 1 69 GLU H 1 69 GLU HB3 3.300 . 4.700 3.600 3.575 3.622 . 0 0 "[ . 1 . ]" 1
57 1 15 MET H 1 15 MET HG3 4.300 . 6.000 4.435 4.236 4.648 . 0 0 "[ . 1 . ]" 1
58 1 12 GLU HA 1 15 MET H 3.600 . 5.200 3.396 3.058 4.080 . 0 0 "[ . 1 . ]" 1
59 1 15 MET H 1 16 PRO QD 3.400 . 4.100 2.101 1.801 2.459 0.199 7 0 "[ . 1 . ]" 1
60 1 15 MET H 1 15 MET QB 2.600 . 3.400 2.208 2.145 2.374 . 0 0 "[ . 1 . ]" 1
61 1 15 MET H 1 15 MET HG2 3.000 . 4.200 4.358 4.129 4.621 0.421 7 0 "[ . 1 . ]" 1
62 1 22 ALA H 1 23 ASP H 2.700 . 3.600 2.739 2.543 2.882 . 0 0 "[ . 1 . ]" 1
63 1 21 CYS H 1 22 ALA H 2.800 . 3.800 2.589 2.327 2.918 . 0 0 "[ . 1 . ]" 1
64 1 18 ILE HA 1 22 ALA H 5.800 . 6.000 4.567 4.059 5.053 . 0 0 "[ . 1 . ]" 1
65 1 21 CYS HB2 1 22 ALA H 2.900 . 3.900 2.871 2.350 3.614 . 0 0 "[ . 1 . ]" 1
66 1 22 ALA H 1 22 ALA MB 2.300 . 2.900 2.236 2.219 2.253 . 0 0 "[ . 1 . ]" 1
67 1 29 GLU H 1 30 ASP H 2.800 . 3.800 2.738 2.510 2.939 . 0 0 "[ . 1 . ]" 1
68 1 28 SER HA 1 29 GLU H 3.000 . 4.100 2.409 2.160 2.649 . 0 0 "[ . 1 . ]" 1
69 1 28 SER QB 1 29 GLU H 3.300 . 4.600 2.585 1.962 3.254 0.038 11 0 "[ . 1 . ]" 1
70 1 29 GLU H 1 29 GLU QB 3.200 . 4.400 2.449 2.091 2.972 . 0 0 "[ . 1 . ]" 1
71 1 105 ASP H 1 108 ASN HB3 4.200 . 6.000 3.501 2.578 4.175 . 0 0 "[ . 1 . ]" 1
72 1 103 GLU QB 1 105 ASP H . . 3.600 2.669 2.235 2.917 . 0 0 "[ . 1 . ]" 1
73 1 105 ASP H 1 109 ILE HG13 4.200 . 6.000 3.990 3.369 4.861 . 0 0 "[ . 1 . ]" 1
74 1 105 ASP H 1 106 GLU H 4.300 . 6.000 4.531 4.452 4.592 . 0 0 "[ . 1 . ]" 1
75 1 105 ASP H 1 108 ASN HD22 4.400 . 6.000 5.206 4.658 6.498 0.498 17 0 "[ . 1 . ]" 1
76 1 103 GLU H 1 105 ASP H 6.000 . 6.000 5.649 5.231 6.019 0.019 16 0 "[ . 1 . ]" 1
77 1 105 ASP H 1 105 ASP HB2 2.300 . 3.000 2.780 2.609 2.933 . 0 0 "[ . 1 . ]" 1
78 1 105 ASP H 1 105 ASP HB3 2.500 . 3.300 2.514 2.452 2.668 . 0 0 "[ . 1 . ]" 1
79 1 103 GLU QG 1 105 ASP H 3.600 . 5.200 4.653 4.282 4.919 . 0 0 "[ . 1 . ]" 1
80 1 104 THR MG 1 105 ASP H 4.100 . 6.000 3.187 1.985 4.241 0.015 5 0 "[ . 1 . ]" 1
81 1 116 CYS HA 1 117 TYR H 3.800 . 5.600 3.532 3.460 3.572 . 0 0 "[ . 1 . ]" 1
82 1 114 THR HA 1 117 TYR H 4.100 . 6.000 3.507 3.283 3.899 . 0 0 "[ . 1 . ]" 1
83 1 117 TYR H 1 117 TYR HA 2.900 . 3.900 2.786 2.754 2.817 . 0 0 "[ . 1 . ]" 1
84 1 117 TYR H 1 117 TYR HB3 3.000 . 4.100 3.120 2.857 3.316 . 0 0 "[ . 1 . ]" 1
85 1 92 ILE MG 1 117 TYR H 6.000 . 6.000 4.802 4.385 5.187 . 0 0 "[ . 1 . ]" 1
86 1 117 TYR H 1 117 TYR HB2 2.400 . 3.100 2.122 2.072 2.241 . 0 0 "[ . 1 . ]" 1
87 1 97 ILE H 1 113 TYR QD 4.200 . 6.000 4.387 3.605 5.069 . 0 0 "[ . 1 . ]" 1
88 1 44 MET H 1 45 SER HA 6.000 . 6.000 5.242 4.524 5.822 . 0 0 "[ . 1 . ]" 1
89 1 44 MET H 1 44 MET QG 3.900 . 5.800 3.932 2.453 4.443 . 0 0 "[ . 1 . ]" 1
90 1 43 ASP HB2 1 44 MET H 3.400 . 4.900 4.020 2.420 4.646 . 0 0 "[ . 1 . ]" 1
91 1 44 MET H 1 44 MET HB2 3.700 . 5.400 3.247 2.382 3.850 . 0 0 "[ . 1 . ]" 1
92 1 44 MET H 1 44 MET HB3 2.900 . 3.900 3.123 2.262 3.827 . 0 0 "[ . 1 . ]" 1
93 1 50 LEU HA 1 54 VAL H 3.900 . 5.800 5.604 5.128 5.861 0.061 12 0 "[ . 1 . ]" 1
94 1 21 CYS HB3 1 54 VAL H 3.000 . 6.000 5.286 3.798 6.531 0.531 4 2 "[ +- 1 . ]" 1
95 1 54 VAL H 1 54 VAL MG1 3.300 . 4.600 3.670 2.170 3.782 . 0 0 "[ . 1 . ]" 1
96 1 51 LYS HA 1 54 VAL H 3.700 . 5.400 3.631 3.188 3.961 . 0 0 "[ . 1 . ]" 1
97 1 97 ILE H 1 98 GLU H 2.800 . 3.800 2.651 2.469 2.862 . 0 0 "[ . 1 . ]" 1
98 1 96 CYS H 1 97 ILE H 3.100 . 4.300 2.459 2.338 2.613 . 0 0 "[ . 1 . ]" 1
99 1 97 ILE H 1 113 TYR QE 2.800 . 3.700 3.531 2.881 3.764 0.064 17 0 "[ . 1 . ]" 1
100 1 96 CYS QB 1 97 ILE H 3.100 . 4.300 2.686 2.373 3.007 . 0 0 "[ . 1 . ]" 1
101 1 97 ILE H 1 97 ILE HB 2.400 . 3.100 2.552 2.362 2.731 . 0 0 "[ . 1 . ]" 1
102 1 97 ILE H 1 97 ILE HG13 2.800 . 3.800 2.163 1.794 3.571 0.006 4 0 "[ . 1 . ]" 1
103 1 97 ILE H 1 97 ILE HG12 3.000 . 4.200 3.429 3.025 3.893 . 0 0 "[ . 1 . ]" 1
104 1 97 ILE H 1 97 ILE MG 3.600 . 5.200 3.764 3.727 3.780 . 0 0 "[ . 1 . ]" 1
105 1 97 ILE H 1 97 ILE MD 3.400 . 4.900 3.393 1.889 3.675 0.011 5 0 "[ . 1 . ]" 1
106 1 97 ILE H 1 98 GLU QB 3.900 . 5.800 4.723 4.534 4.984 . 0 0 "[ . 1 . ]" 1
107 1 41 GLY HA2 1 42 ALA H 3.300 . 4.700 3.361 3.095 3.444 . 0 0 "[ . 1 . ]" 1
108 1 41 GLY H 1 42 ALA H 3.200 . 4.500 2.420 1.979 2.874 . 0 0 "[ . 1 . ]" 1
109 1 42 ALA H 1 42 ALA MB 2.700 . 3.600 2.285 2.251 2.330 . 0 0 "[ . 1 . ]" 1
110 1 95 GLU H 1 97 ILE H 4.700 . 6.000 4.212 3.894 4.671 . 0 0 "[ . 1 . ]" 1
111 1 92 ILE HA 1 95 GLU H 3.300 . 4.600 3.437 3.109 3.719 . 0 0 "[ . 1 . ]" 1
112 1 94 ASN HB3 1 95 GLU H 3.000 . 4.100 2.863 2.441 3.762 . 0 0 "[ . 1 . ]" 1
113 1 94 ASN HB2 1 95 GLU H 3.100 . 4.300 3.925 3.153 4.147 . 0 0 "[ . 1 . ]" 1
114 1 95 GLU H 1 95 GLU HB3 2.400 . 3.100 2.902 2.516 3.625 0.525 17 2 "[ - . 1 . +]" 1
115 1 95 GLU H 1 95 GLU HB2 3.400 . 4.800 2.432 2.189 2.577 . 0 0 "[ . 1 . ]" 1
116 1 92 ILE MD 1 95 GLU H 5.200 . 6.000 4.114 3.894 4.411 . 0 0 "[ . 1 . ]" 1
117 1 36 GLN QG 1 37 ALA H 4.700 . 6.000 4.045 2.253 4.781 . 0 0 "[ . 1 . ]" 1
118 1 66 LEU HA 1 67 TYR H 2.200 . 2.800 2.195 2.130 2.277 . 0 0 "[ . 1 . ]" 1
119 1 60 MET HA 1 67 TYR H 3.400 . 4.800 3.702 2.865 4.253 . 0 0 "[ . 1 . ]" 1
120 1 67 TYR H 1 67 TYR HA 2.900 . 4.000 2.929 2.882 2.947 . 0 0 "[ . 1 . ]" 1
121 1 67 TYR H 1 67 TYR HB3 3.600 . 5.200 3.683 3.468 3.847 . 0 0 "[ . 1 . ]" 1
122 1 67 TYR H 1 67 TYR HB2 2.800 . 3.800 2.530 2.227 2.796 . 0 0 "[ . 1 . ]" 1
123 1 60 MET QG 1 67 TYR H 3.300 . 4.600 3.289 2.479 4.548 . 0 0 "[ . 1 . ]" 1
124 1 66 LEU QB 1 67 TYR H 3.100 . 4.300 3.099 2.653 3.781 . 0 0 "[ . 1 . ]" 1
125 1 93 ALA MB 1 95 GLU H 4.300 . 6.000 4.597 4.336 4.940 . 0 0 "[ . 1 . ]" 1
126 1 94 ASN HA 1 95 GLU H 4.100 . 6.000 3.495 3.438 3.558 . 0 0 "[ . 1 . ]" 1
127 1 35 ILE H 1 36 GLN H 3.200 . 4.500 2.600 1.823 4.148 0.077 17 0 "[ . 1 . ]" 1
128 1 34 ASN HA 1 35 ILE H 3.000 . 4.100 3.037 2.182 3.563 . 0 0 "[ . 1 . ]" 1
129 1 35 ILE H 1 35 ILE HB 3.000 . 4.200 3.531 2.551 3.879 . 0 0 "[ . 1 . ]" 1
130 1 35 ILE H 1 35 ILE QG 3.200 . 4.500 2.575 1.888 4.181 0.112 14 0 "[ . 1 . ]" 1
131 1 34 ASN H 1 35 ILE H 3.400 . 4.800 3.204 2.542 4.598 . 0 0 "[ . 1 . ]" 1
132 1 35 ILE H 1 35 ILE MD 5.200 . 6.000 3.698 1.768 4.948 0.032 10 0 "[ . 1 . ]" 1
133 1 56 LYS H 1 57 ARG H 2.500 . 3.300 2.599 2.433 2.724 . 0 0 "[ . 1 . ]" 1
134 1 54 VAL HA 1 57 ARG H 3.100 . 4.300 3.444 3.119 3.765 . 0 0 "[ . 1 . ]" 1
135 1 56 LYS HG3 1 57 ARG H 3.500 . 5.000 3.842 2.618 4.544 . 0 0 "[ . 1 . ]" 1
136 1 56 LYS HG2 1 57 ARG H 4.400 . 6.000 4.741 3.632 5.437 . 0 0 "[ . 1 . ]" 1
137 1 108 ASN HA 1 109 ILE H 3.600 . 5.200 3.535 3.491 3.588 . 0 0 "[ . 1 . ]" 1
138 1 57 ARG H 1 57 ARG HD3 5.700 . 6.000 5.372 4.442 5.850 . 0 0 "[ . 1 . ]" 1
139 1 109 ILE H 1 109 ILE HA 2.800 . 3.800 2.813 2.748 2.858 . 0 0 "[ . 1 . ]" 1
140 1 108 ASN HB3 1 109 ILE H 3.200 . 4.500 2.989 2.288 3.751 . 0 0 "[ . 1 . ]" 1
141 1 108 ASN HB2 1 109 ILE H 3.400 . 4.800 3.250 2.446 3.989 . 0 0 "[ . 1 . ]" 1
142 1 103 GLU QG 1 109 ILE H 3.600 . 5.200 4.163 3.572 4.595 . 0 0 "[ . 1 . ]" 1
143 1 109 ILE H 1 109 ILE HB 2.300 . 3.000 2.368 2.080 2.647 . 0 0 "[ . 1 . ]" 1
144 1 109 ILE H 1 109 ILE HG13 2.300 . 3.000 2.514 1.867 3.124 0.124 13 0 "[ . 1 . ]" 1
145 1 109 ILE H 1 109 ILE MD 3.400 . 4.900 3.645 3.369 3.992 . 0 0 "[ . 1 . ]" 1
146 1 109 ILE H 1 109 ILE MG 4.100 . 6.000 3.671 3.446 3.771 . 0 0 "[ . 1 . ]" 1
147 1 62 LYS H 1 65 GLU H 2.900 . 3.900 2.869 2.587 3.039 . 0 0 "[ . 1 . ]" 1
148 1 64 THR H 1 65 GLU H 2.400 . 3.100 2.000 1.627 2.539 0.073 2 0 "[ . 1 . ]" 1
149 1 61 LEU HA 1 65 GLU H 4.400 . 6.000 3.950 3.373 4.442 . 0 0 "[ . 1 . ]" 1
150 1 64 THR HB 1 65 GLU H 3.600 . 5.200 4.416 4.288 4.560 . 0 0 "[ . 1 . ]" 1
151 1 65 GLU H 1 65 GLU HA 2.600 . 3.400 2.929 2.891 2.951 . 0 0 "[ . 1 . ]" 1
152 1 64 THR HA 1 65 GLU H 2.700 . 3.600 3.116 2.866 3.423 . 0 0 "[ . 1 . ]" 1
153 1 63 GLY HA2 1 65 GLU H 4.600 . 6.000 4.701 4.075 5.093 . 0 0 "[ . 1 . ]" 1
154 1 65 GLU H 1 65 GLU QG 3.500 . 5.000 2.914 2.221 4.179 . 0 0 "[ . 1 . ]" 1
155 1 65 GLU H 1 65 GLU QB 2.400 . 3.100 2.458 2.324 2.525 . 0 0 "[ . 1 . ]" 1
156 1 64 THR MG 1 65 GLU H 3.900 . 5.800 4.158 2.696 4.352 . 0 0 "[ . 1 . ]" 1
157 1 61 LEU QD 1 65 GLU H 3.700 . 5.500 2.648 2.055 3.240 . 0 0 "[ . 1 . ]" 1
158 1 84 ASP H 1 85 ASP H 2.300 . 2.900 2.381 2.310 2.506 . 0 0 "[ . 1 . ]" 1
159 1 85 ASP H 1 85 ASP HA 2.700 . 3.600 2.798 2.772 2.822 . 0 0 "[ . 1 . ]" 1
160 1 83 ALA HA 1 85 ASP H 3.500 . 5.000 4.226 3.967 4.370 . 0 0 "[ . 1 . ]" 1
161 1 82 ASN QB 1 85 ASP H 3.000 . 3.300 2.341 2.045 2.475 . 0 0 "[ . 1 . ]" 1
162 1 85 ASP H 1 85 ASP QB 2.300 . 3.000 2.286 2.203 2.555 . 0 0 "[ . 1 . ]" 1
163 1 84 ASP QB 1 85 ASP H 2.600 . 3.500 3.121 2.871 3.570 0.070 17 0 "[ . 1 . ]" 1
164 1 82 ASN HA 1 85 ASP H 4.500 . 6.000 4.392 4.091 4.683 . 0 0 "[ . 1 . ]" 1
165 1 36 GLN HB2 1 37 ALA H 3.500 . 5.100 4.043 1.911 4.475 . 0 0 "[ . 1 . ]" 1
166 1 37 ALA H 1 37 ALA MB 3.000 . 4.100 2.270 2.231 2.312 . 0 0 "[ . 1 . ]" 1
167 1 75 ILE H 1 79 HIS HD2 5.300 . 6.000 4.692 4.463 4.979 . 0 0 "[ . 1 . ]" 1
168 1 75 ILE H 1 75 ILE HA 2.800 . 3.800 2.756 2.737 2.804 . 0 0 "[ . 1 . ]" 1
169 1 75 ILE H 1 75 ILE HB 2.000 . 2.500 1.961 1.815 2.149 . 0 0 "[ . 1 . ]" 1
170 1 75 ILE H 1 78 VAL HB 2.900 . 6.000 4.050 3.863 4.833 . 0 0 "[ . 1 . ]" 1
171 1 75 ILE H 1 75 ILE MD 3.400 . 4.800 3.202 3.130 3.311 . 0 0 "[ . 1 . ]" 1
172 1 34 ASN HB2 1 35 ILE H 5.100 . 6.000 3.835 1.928 4.647 . 0 0 "[ . 1 . ]" 1
173 1 34 ASN HB3 1 35 ILE H 4.700 . 6.000 3.960 1.790 4.575 0.110 17 0 "[ . 1 . ]" 1
174 1 88 LEU H 1 89 VAL H 2.800 . 3.800 2.635 2.414 2.817 . 0 0 "[ . 1 . ]" 1
175 1 87 GLN QG 1 88 LEU H 4.700 . 6.000 3.717 2.872 4.318 . 0 0 "[ . 1 . ]" 1
176 1 88 LEU H 1 88 LEU MD1 4.000 . 6.000 4.172 4.075 4.266 . 0 0 "[ . 1 . ]" 1
177 1 88 LEU H 1 88 LEU MD2 4.100 . 6.000 4.205 3.806 4.302 . 0 0 "[ . 1 . ]" 1
178 1 85 ASP HA 1 88 LEU H 3.100 . 4.300 3.405 3.219 3.727 . 0 0 "[ . 1 . ]" 1
179 1 88 LEU H 1 88 LEU HA 2.500 . 3.300 2.868 2.831 2.892 . 0 0 "[ . 1 . ]" 1
180 1 87 GLN HA 1 88 LEU H 3.400 . 4.900 3.429 3.403 3.477 . 0 0 "[ . 1 . ]" 1
181 1 86 ILE HA 1 88 LEU H 5.700 . 6.000 3.979 3.852 4.203 . 0 0 "[ . 1 . ]" 1
182 1 87 GLN QB 1 88 LEU H 2.500 . 3.300 3.111 2.902 3.301 0.001 5 0 "[ . 1 . ]" 1
183 1 88 LEU H 1 88 LEU HB3 2.400 . 3.100 2.516 2.391 2.767 . 0 0 "[ . 1 . ]" 1
184 1 88 LEU H 1 88 LEU HB2 2.400 . 3.100 2.568 2.271 2.705 . 0 0 "[ . 1 . ]" 1
185 1 88 LEU H 1 92 ILE QG 3.800 . 6.000 5.701 5.532 5.833 . 0 0 "[ . 1 . ]" 1
186 1 88 LEU H 1 89 VAL QG 4.000 . 6.000 3.735 3.329 3.962 . 0 0 "[ . 1 . ]" 1
187 1 66 LEU H 1 67 TYR H 4.600 . 6.000 4.502 4.245 4.628 . 0 0 "[ . 1 . ]" 1
188 1 66 LEU H 1 66 LEU HA 2.900 . 4.000 2.870 2.820 2.948 . 0 0 "[ . 1 . ]" 1
189 1 65 GLU HA 1 66 LEU H 2.300 . 2.900 2.176 2.135 2.337 . 0 0 "[ . 1 . ]" 1
190 1 65 GLU QB 1 66 LEU H 3.100 . 4.300 3.516 3.123 3.912 . 0 0 "[ . 1 . ]" 1
191 1 66 LEU H 1 66 LEU QB 2.500 . 3.300 2.378 2.079 2.595 . 0 0 "[ . 1 . ]" 1
192 1 66 LEU H 1 66 LEU QD 3.100 . 4.300 2.698 1.835 3.808 0.165 17 0 "[ . 1 . ]" 1
193 1 75 ILE H 1 77 VAL H 4.900 . 6.000 4.892 4.703 5.003 . 0 0 "[ . 1 . ]" 1
194 1 72 TYR QD 1 75 ILE H 5.100 . 6.000 5.326 5.025 5.577 . 0 0 "[ . 1 . ]" 1
195 1 72 TYR HA 1 75 ILE H 3.300 . 4.600 3.821 3.615 3.999 . 0 0 "[ . 1 . ]" 1
196 1 74 MET HG3 1 75 ILE H 2.700 . 3.600 2.541 1.778 3.643 0.043 13 0 "[ . 1 . ]" 1
197 1 74 MET HG2 1 75 ILE H 3.200 . 4.500 3.247 2.344 4.553 0.053 14 0 "[ . 1 . ]" 1
198 1 71 VAL HA 1 75 ILE H 5.000 . 6.000 3.823 3.661 3.953 . 0 0 "[ . 1 . ]" 1
199 1 75 ILE H 1 76 GLU HA 5.600 . 6.000 5.289 5.133 5.341 . 0 0 "[ . 1 . ]" 1
200 1 93 ALA H 1 117 TYR QE 4.300 . 6.000 3.862 3.219 4.620 . 0 0 "[ . 1 . ]" 1
201 1 92 ILE HA 1 93 ALA H 3.500 . 5.000 3.522 3.490 3.549 . 0 0 "[ . 1 . ]" 1
202 1 89 VAL HA 1 93 ALA H 4.300 . 6.000 4.252 4.037 4.595 . 0 0 "[ . 1 . ]" 1
203 1 93 ALA H 1 94 ASN HB3 6.000 . 6.000 4.980 4.630 6.014 0.014 17 0 "[ . 1 . ]" 1
204 1 92 ILE QG 1 93 ALA H 5.000 . 6.000 3.973 3.895 4.110 . 0 0 "[ . 1 . ]" 1
205 1 115 ASP H 1 115 ASP QB 3.600 . 4.700 2.272 2.224 2.637 . 0 0 "[ . 1 . ]" 1
206 1 114 THR MG 1 115 ASP H 4.600 . 6.000 2.340 1.830 3.792 0.070 3 0 "[ . 1 . ]" 1
207 1 45 SER HA 1 46 GLN H 3.000 . 4.100 3.571 3.543 3.586 . 0 0 "[ . 1 . ]" 1
208 1 37 ALA H 1 38 ALA H 2.900 . 4.000 2.767 2.337 2.932 . 0 0 "[ . 1 . ]" 1
209 1 65 GLU QG 1 66 LEU H 4.700 . 6.000 4.211 2.062 4.876 . 0 0 "[ . 1 . ]" 1
210 1 61 LEU QD 1 66 LEU H 4.100 . 6.000 3.908 3.276 5.165 . 0 0 "[ . 1 . ]" 1
211 1 91 GLY QA 1 93 ALA H 4.800 . 6.000 3.945 3.728 4.112 . 0 0 "[ . 1 . ]" 1
212 1 92 ILE H 1 93 ALA H 2.700 . 3.600 2.594 2.489 2.719 . 0 0 "[ . 1 . ]" 1
213 1 93 ALA H 1 93 ALA HA 2.800 . 3.800 2.817 2.790 2.870 . 0 0 "[ . 1 . ]" 1
214 1 90 LYS HA 1 93 ALA H 2.900 . 4.000 3.894 3.741 4.042 0.042 16 0 "[ . 1 . ]" 1
215 1 92 ILE HB 1 93 ALA H 2.500 . 3.300 2.687 2.529 2.864 . 0 0 "[ . 1 . ]" 1
216 1 93 ALA H 1 93 ALA MB 2.500 . 3.300 2.237 2.230 2.259 . 0 0 "[ . 1 . ]" 1
217 1 92 ILE MD 1 93 ALA H 3.200 . 4.500 3.411 3.161 3.579 . 0 0 "[ . 1 . ]" 1
218 1 91 GLY H 1 93 ALA H 4.900 . 6.000 4.172 4.044 4.416 . 0 0 "[ . 1 . ]" 1
219 1 44 MET HA 1 115 ASP H 3.200 . 6.000 6.067 5.863 6.166 0.166 3 0 "[ . 1 . ]" 1
220 1 115 ASP H 1 115 ASP HA 3.000 . 4.200 2.725 2.656 2.808 . 0 0 "[ . 1 . ]" 1
221 1 90 LYS H 1 92 ILE H 4.600 . 6.000 3.977 3.825 4.100 . 0 0 "[ . 1 . ]" 1
222 1 90 LYS H 1 91 GLY H 2.700 . 3.600 2.727 2.624 2.900 . 0 0 "[ . 1 . ]" 1
223 1 72 TYR QE 1 90 LYS H 4.700 . 6.000 5.610 5.077 5.894 . 0 0 "[ . 1 . ]" 1
224 1 89 VAL HA 1 90 LYS H 3.800 . 5.600 3.499 3.440 3.549 . 0 0 "[ . 1 . ]" 1
225 1 86 ILE HA 1 90 LYS H 4.100 . 6.000 4.269 3.769 4.623 . 0 0 "[ . 1 . ]" 1
226 1 90 LYS H 1 90 LYS HG3 3.100 . 4.300 3.658 2.337 4.389 0.089 15 0 "[ . 1 . ]" 1
227 1 90 LYS H 1 90 LYS QB 2.500 . 3.300 2.084 2.013 2.727 . 0 0 "[ . 1 . ]" 1
228 1 90 LYS H 1 90 LYS QD 3.300 . 4.700 3.381 2.765 3.784 . 0 0 "[ . 1 . ]" 1
229 1 90 LYS H 1 90 LYS HG2 3.700 . 5.400 4.283 1.981 4.600 0.019 6 0 "[ . 1 . ]" 1
230 1 89 VAL QG 1 90 LYS H 3.800 . 5.600 3.016 2.162 3.435 . 0 0 "[ . 1 . ]" 1
231 1 7 VAL H 1 8 ALA H 3.000 . 4.100 2.892 2.512 3.003 . 0 0 "[ . 1 . ]" 1
232 1 6 VAL HB 1 7 VAL H 2.500 . 3.300 2.112 2.029 2.348 . 0 0 "[ . 1 . ]" 1
233 1 7 VAL H 1 7 VAL HB 2.400 . 3.100 2.578 2.531 2.626 . 0 0 "[ . 1 . ]" 1
234 1 46 GLN H 1 47 LEU H 2.700 . 3.600 2.347 2.251 2.524 . 0 0 "[ . 1 . ]" 1
235 1 45 SER QB 1 46 GLN H 3.400 . 4.900 2.546 2.231 3.357 . 0 0 "[ . 1 . ]" 1
236 1 46 GLN H 1 46 GLN QG 5.200 . 6.000 3.500 2.662 4.131 . 0 0 "[ . 1 . ]" 1
237 1 28 SER H 1 28 SER QB 3.100 . 3.600 2.621 2.244 2.953 . 0 0 "[ . 1 . ]" 1
238 1 28 SER H 1 31 ILE MD 3.700 . 5.400 3.726 2.434 4.730 . 0 0 "[ . 1 . ]" 1
239 1 28 SER H 1 29 GLU H 4.100 . 6.000 4.569 4.486 4.651 . 0 0 "[ . 1 . ]" 1
240 1 27 ILE HA 1 28 SER H 2.300 . 3.000 2.473 2.187 2.734 . 0 0 "[ . 1 . ]" 1
241 1 28 SER H 1 28 SER HA 2.700 . 3.600 2.852 2.738 2.904 . 0 0 "[ . 1 . ]" 1
242 1 72 TYR H 1 73 LYS H 2.800 . 3.700 2.680 2.585 2.753 . 0 0 "[ . 1 . ]" 1
243 1 71 VAL H 1 72 TYR H 2.300 . 3.000 2.638 2.366 2.834 . 0 0 "[ . 1 . ]" 1
244 1 72 TYR H 1 72 TYR HA 3.000 . 4.100 2.784 2.758 2.820 . 0 0 "[ . 1 . ]" 1
245 1 71 VAL HB 1 72 TYR H 2.600 . 3.500 2.735 2.300 3.669 0.169 4 0 "[ . 1 . ]" 1
246 1 71 VAL MG1 1 72 TYR H 3.900 . 5.800 3.287 1.954 3.993 0.046 4 0 "[ . 1 . ]" 1
247 1 68 VAL H 1 72 TYR H 2.800 . 6.000 5.941 5.720 6.030 0.030 16 0 "[ . 1 . ]" 1
248 1 72 TYR H 1 75 ILE HB 3.700 . 5.400 4.428 4.230 4.567 . 0 0 "[ . 1 . ]" 1
249 1 121 LEU H 1 121 LEU HB2 2.900 . 3.900 2.585 2.249 2.854 . 0 0 "[ . 1 . ]" 1
250 1 121 LEU H 1 121 LEU HG 4.500 . 6.000 4.471 4.157 4.701 . 0 0 "[ . 1 . ]" 1
251 1 32 ALA H 1 32 ALA MB 3.000 . 4.100 2.236 2.219 2.259 . 0 0 "[ . 1 . ]" 1
252 1 122 PHE HA 1 123 SER H 3.300 . 4.600 3.352 2.751 3.451 . 0 0 "[ . 1 . ]" 1
253 1 123 SER H 1 123 SER HA 2.900 . 3.900 2.803 2.283 2.932 . 0 0 "[ . 1 . ]" 1
254 1 123 SER H 1 123 SER QB 2.300 . 3.000 2.575 2.237 3.044 0.044 11 0 "[ . 1 . ]" 1
255 1 122 PHE HB2 1 123 SER H 4.000 . 6.000 4.438 4.334 4.535 . 0 0 "[ . 1 . ]" 1
256 1 122 PHE HB3 1 123 SER H 3.300 . 4.600 3.558 3.338 4.238 . 0 0 "[ . 1 . ]" 1
257 1 120 LYS HB2 1 123 SER H 4.800 . 6.000 5.981 5.748 6.064 0.064 8 0 "[ . 1 . ]" 1
258 1 121 LEU HB2 1 123 SER H 5.600 . 6.000 4.089 3.733 5.429 . 0 0 "[ . 1 . ]" 1
259 1 88 LEU HA 1 89 VAL H 3.500 . 5.100 3.564 3.542 3.577 . 0 0 "[ . 1 . ]" 1
260 1 89 VAL H 1 89 VAL HA 3.000 . 4.100 2.793 2.761 2.846 . 0 0 "[ . 1 . ]" 1
261 1 88 LEU HB3 1 89 VAL H 3.200 . 4.500 2.246 2.073 2.547 . 0 0 "[ . 1 . ]" 1
262 1 89 VAL H 1 92 ILE QG 2.800 . 6.000 4.051 3.827 4.285 . 0 0 "[ . 1 . ]" 1
263 1 89 VAL H 1 89 VAL QG 2.200 . 6.000 1.879 1.681 2.207 . 0 0 "[ . 1 . ]" 1
264 1 85 ASP HA 1 89 VAL H 3.800 . 5.600 4.231 3.713 4.681 . 0 0 "[ . 1 . ]" 1
265 1 88 LEU MD1 1 89 VAL H 3.600 . 6.000 4.232 3.213 4.609 . 0 0 "[ . 1 . ]" 1
266 1 78 VAL H 1 79 HIS HD2 4.200 . 6.000 4.350 3.997 4.808 . 0 0 "[ . 1 . ]" 1
267 1 77 VAL H 1 78 VAL H 2.300 . 2.900 2.319 2.239 2.446 . 0 0 "[ . 1 . ]" 1
268 1 78 VAL H 1 80 ALA H 3.800 . 5.600 4.814 4.406 5.080 . 0 0 "[ . 1 . ]" 1
269 1 77 VAL HA 1 78 VAL H 3.400 . 4.900 3.483 3.432 3.538 . 0 0 "[ . 1 . ]" 1
270 1 75 ILE HA 1 78 VAL H 3.600 . 5.200 3.709 3.387 4.164 . 0 0 "[ . 1 . ]" 1
271 1 74 MET HA 1 78 VAL H 4.200 . 6.000 3.800 3.465 4.014 . 0 0 "[ . 1 . ]" 1
272 1 78 VAL H 1 78 VAL HA 2.900 . 4.000 2.789 2.718 2.847 . 0 0 "[ . 1 . ]" 1
273 1 77 VAL HB 1 78 VAL H 2.300 . 3.000 2.758 2.480 2.996 . 0 0 "[ . 1 . ]" 1
274 1 78 VAL H 1 78 VAL HB 2.300 . 3.000 2.351 2.167 2.455 . 0 0 "[ . 1 . ]" 1
275 1 77 VAL MG1 1 78 VAL H 3.600 . 5.200 3.674 3.423 3.867 . 0 0 "[ . 1 . ]" 1
276 1 78 VAL H 1 78 VAL MG2 2.200 . 2.800 2.391 2.123 3.589 0.789 17 1 "[ . 1 . +]" 1
277 1 78 VAL H 1 78 VAL MG1 3.600 . 5.200 3.665 2.751 3.747 . 0 0 "[ . 1 . ]" 1
278 1 56 LYS H 1 56 LYS HA 2.800 . 3.700 2.821 2.774 2.877 . 0 0 "[ . 1 . ]" 1
279 1 53 CYS HA 1 56 LYS H 3.200 . 4.500 3.556 3.348 3.769 . 0 0 "[ . 1 . ]" 1
280 1 56 LYS H 1 56 LYS QD 3.600 . 5.200 3.798 1.970 4.223 0.030 9 0 "[ . 1 . ]" 1
281 1 56 LYS H 1 61 LEU QD 4.000 . 6.000 3.281 2.746 3.761 . 0 0 "[ . 1 . ]" 1
282 1 55 MET HB3 1 56 LYS H 2.700 . 3.600 3.497 3.109 3.637 0.037 12 0 "[ . 1 . ]" 1
283 1 56 LYS H 1 56 LYS QB 2.700 . 3.600 2.675 2.431 2.958 . 0 0 "[ . 1 . ]" 1
284 1 55 MET HB2 1 56 LYS H 2.200 . 2.800 2.355 2.148 2.666 . 0 0 "[ . 1 . ]" 1
285 1 56 LYS H 1 56 LYS HG3 2.000 . 2.500 2.031 1.739 2.520 0.020 7 0 "[ . 1 . ]" 1
286 1 56 LYS H 1 56 LYS HG2 2.700 . 3.600 2.820 1.928 3.634 0.034 9 0 "[ . 1 . ]" 1
287 1 56 LYS H 1 61 LEU QB 3.800 . 5.600 2.821 2.376 3.406 . 0 0 "[ . 1 . ]" 1
288 1 56 LYS H 1 61 LEU QB 3.500 . 5.000 2.840 2.389 3.434 . 0 0 "[ . 1 . ]" 1
289 1 7 VAL H 1 8 ALA MB 3.400 . 6.000 4.503 4.235 4.602 . 0 0 "[ . 1 . ]" 1
290 1 7 VAL H 1 9 LYS H 3.000 . 4.100 4.064 3.922 4.137 0.037 6 0 "[ . 1 . ]" 1
291 1 7 VAL H 1 10 TYR QD 3.600 . 5.200 4.511 4.362 4.782 . 0 0 "[ . 1 . ]" 1
292 1 17 ASP HA 1 18 ILE H 4.300 . 6.000 3.370 3.260 3.434 . 0 0 "[ . 1 . ]" 1
293 1 17 ASP HB3 1 18 ILE H 3.700 . 5.400 4.168 4.053 4.369 . 0 0 "[ . 1 . ]" 1
294 1 18 ILE H 1 18 ILE QG 3.200 . 4.500 2.749 2.439 3.166 . 0 0 "[ . 1 . ]" 1
295 1 72 TYR H 1 72 TYR QD 2.800 . 3.800 2.686 2.255 3.194 . 0 0 "[ . 1 . ]" 1
296 1 72 TYR H 1 72 TYR HB3 3.400 . 4.800 3.586 3.553 3.613 . 0 0 "[ . 1 . ]" 1
297 1 72 TYR H 1 72 TYR HB2 2.600 . 3.500 2.459 2.299 2.646 . 0 0 "[ . 1 . ]" 1
298 1 71 VAL MG2 1 72 TYR H 4.100 . 6.000 3.567 1.987 4.011 0.013 14 0 "[ . 1 . ]" 1
299 1 72 TYR H 1 75 ILE MD 4.600 . 6.000 3.826 3.421 4.127 . 0 0 "[ . 1 . ]" 1
300 1 120 LYS HA 1 121 LEU H 3.300 . 4.600 3.570 3.537 3.584 . 0 0 "[ . 1 . ]" 1
301 1 121 LEU H 1 121 LEU HA 2.900 . 3.900 2.907 2.788 2.935 . 0 0 "[ . 1 . ]" 1
302 1 118 ILE HA 1 121 LEU H 3.700 . 5.400 4.283 3.596 4.489 . 0 0 "[ . 1 . ]" 1
303 1 120 LYS HB3 1 121 LEU H 3.700 . 5.400 3.487 3.264 3.759 . 0 0 "[ . 1 . ]" 1
304 1 120 LYS HB2 1 121 LEU H 2.800 . 3.800 2.413 2.178 2.657 . 0 0 "[ . 1 . ]" 1
305 1 121 LEU H 1 121 LEU HB3 2.500 . 3.300 2.647 2.376 3.010 . 0 0 "[ . 1 . ]" 1
306 1 121 LEU H 1 121 LEU QD 4.500 . 6.000 3.738 3.483 3.840 . 0 0 "[ . 1 . ]" 1
307 1 92 ILE MD 1 121 LEU H 2.900 . 3.900 2.532 2.284 2.848 . 0 0 "[ . 1 . ]" 1
308 1 31 ILE HB 1 32 ALA H 2.600 . 3.400 3.321 2.606 3.431 0.031 1 0 "[ . 1 . ]" 1
309 1 29 GLU QB 1 32 ALA H 4.300 . 6.000 4.853 4.389 5.503 . 0 0 "[ . 1 . ]" 1
310 1 23 ASP HA 1 24 GLU H 4.100 . 6.000 3.431 3.374 3.574 . 0 0 "[ . 1 . ]" 1
311 1 24 GLU H 1 24 GLU HA 2.400 . 3.100 2.823 2.790 2.896 . 0 0 "[ . 1 . ]" 1
312 1 22 ALA HA 1 24 GLU H 4.400 . 6.000 4.180 3.881 4.881 . 0 0 "[ . 1 . ]" 1
313 1 23 ASP QB 1 24 GLU H 2.800 . 3.800 2.900 2.228 3.109 . 0 0 "[ . 1 . ]" 1
314 1 24 GLU H 1 24 GLU HB2 2.500 . 3.300 2.307 2.072 2.541 . 0 0 "[ . 1 . ]" 1
315 1 24 GLU H 1 24 GLU HB3 2.500 . 3.300 2.862 2.607 3.491 0.191 5 0 "[ . 1 . ]" 1
316 1 6 VAL H 1 7 VAL H 2.400 . 3.100 2.672 2.639 2.745 . 0 0 "[ . 1 . ]" 1
317 1 5 THR H 1 6 VAL H 2.400 . 3.100 2.650 2.186 2.859 . 0 0 "[ . 1 . ]" 1
318 1 6 VAL H 1 6 VAL HB 2.300 . 3.000 2.511 2.437 2.618 . 0 0 "[ . 1 . ]" 1
319 1 6 VAL H 1 7 VAL HB 4.900 . 6.000 4.799 4.729 4.927 . 0 0 "[ . 1 . ]" 1
320 1 3 GLN QB 1 6 VAL H 3.300 . 6.000 4.787 4.466 5.313 . 0 0 "[ . 1 . ]" 1
321 1 5 THR HG1 1 6 VAL H 3.000 . 4.100 2.903 2.157 3.529 . 0 0 "[ . 1 . ]" 1
322 1 6 VAL H 1 6 VAL MG2 2.500 . 6.000 2.253 2.037 2.430 . 0 0 "[ . 1 . ]" 1
323 1 7 VAL HA 1 8 ALA H 3.300 . 4.700 3.569 3.500 3.584 . 0 0 "[ . 1 . ]" 1
324 1 7 VAL HB 1 8 ALA H 2.600 . 3.400 2.242 2.134 2.892 . 0 0 "[ . 1 . ]" 1
325 1 8 ALA H 1 8 ALA MB 2.300 . 3.000 2.224 2.204 2.262 . 0 0 "[ . 1 . ]" 1
326 1 7 VAL MG2 1 8 ALA H 3.800 . 5.600 3.667 3.600 3.868 . 0 0 "[ . 1 . ]" 1
327 1 7 VAL MG1 1 8 ALA H 3.500 . 5.000 3.153 3.025 3.720 . 0 0 "[ . 1 . ]" 1
328 1 28 SER QB 1 31 ILE H 4.700 . 6.000 3.425 2.261 4.232 . 0 0 "[ . 1 . ]" 1
329 1 61 LEU H 1 61 LEU QD 4.200 . 6.000 4.022 3.930 4.081 . 0 0 "[ . 1 . ]" 1
330 1 61 LEU H 1 61 LEU HA 2.700 . 3.600 2.892 2.839 2.941 . 0 0 "[ . 1 . ]" 1
331 1 60 MET HA 1 61 LEU H 3.200 . 4.500 3.293 3.078 3.427 . 0 0 "[ . 1 . ]" 1
332 1 56 LYS HA 1 61 LEU H 2.900 . 4.000 2.407 1.808 2.893 . 0 0 "[ . 1 . ]" 1
333 1 59 GLU HA 1 61 LEU H 3.400 . 4.900 3.281 2.992 3.689 . 0 0 "[ . 1 . ]" 1
334 1 60 MET QG 1 61 LEU H 3.600 . 5.200 4.068 2.782 4.653 . 0 0 "[ . 1 . ]" 1
335 1 60 MET HB2 1 61 LEU H 3.800 . 5.700 4.284 4.032 4.477 . 0 0 "[ . 1 . ]" 1
336 1 61 LEU H 1 61 LEU QB 2.700 . 3.600 2.694 2.463 2.815 . 0 0 "[ . 1 . ]" 1
337 1 61 LEU H 1 62 LYS QG 4.600 . 6.000 3.909 3.364 4.935 . 0 0 "[ . 1 . ]" 1
338 1 61 LEU H 1 61 LEU QB 2.500 . 3.300 2.716 2.478 2.844 . 0 0 "[ . 1 . ]" 1
339 1 86 ILE HA 1 89 VAL H 3.800 . 5.600 3.834 3.516 4.108 . 0 0 "[ . 1 . ]" 1
340 1 52 ALA H 1 53 CYS H 2.400 . 3.100 2.441 2.361 2.538 . 0 0 "[ . 1 . ]" 1
341 1 52 ALA H 1 52 ALA HA 2.800 . 3.800 2.875 2.846 2.914 . 0 0 "[ . 1 . ]" 1
342 1 51 LYS QB 1 52 ALA H 2.600 . 3.400 2.979 2.826 3.108 . 0 0 "[ . 1 . ]" 1
343 1 52 ALA H 1 52 ALA MB 2.500 . 3.300 2.262 2.218 2.306 . 0 0 "[ . 1 . ]" 1
344 1 36 GLN H 1 37 ALA H 3.400 . 4.900 3.535 1.857 4.314 0.043 8 0 "[ . 1 . ]" 1
345 1 36 GLN H 1 36 GLN QG 3.600 . 5.200 3.413 2.706 4.415 . 0 0 "[ . 1 . ]" 1
346 1 36 GLN H 1 36 GLN HB3 4.100 . 6.000 3.730 2.561 4.051 . 0 0 "[ . 1 . ]" 1
347 1 24 GLU H 1 24 GLU QG 3.900 . 5.800 3.797 2.727 4.060 . 0 0 "[ . 1 . ]" 1
348 1 24 GLU H 1 25 LEU H 2.700 . 3.600 2.742 2.315 2.906 . 0 0 "[ . 1 . ]" 1
349 1 116 CYS HA 1 119 GLU H 3.900 . 5.800 3.137 2.834 3.468 . 0 0 "[ . 1 . ]" 1
350 1 115 ASP HA 1 119 GLU H 4.700 . 6.000 4.733 4.357 5.228 . 0 0 "[ . 1 . ]" 1
351 1 119 GLU H 1 119 GLU QG 4.400 . 6.000 3.704 2.316 4.036 . 0 0 "[ . 1 . ]" 1
352 1 119 GLU H 1 119 GLU HB2 2.600 . 3.500 2.509 2.388 2.595 . 0 0 "[ . 1 . ]" 1
353 1 118 ILE MG 1 119 GLU H 3.600 . 5.200 3.759 3.407 3.916 . 0 0 "[ . 1 . ]" 1
354 1 118 ILE MD 1 119 GLU H 3.700 . 6.000 4.738 3.915 5.027 . 0 0 "[ . 1 . ]" 1
355 1 8 ALA H 1 8 ALA HA 2.800 . 3.800 2.779 2.736 2.866 . 0 0 "[ . 1 . ]" 1
356 1 111 ASN H 1 112 LYS H 2.500 . 3.300 2.789 2.591 3.056 . 0 0 "[ . 1 . ]" 1
357 1 110 GLY H 1 111 ASN H 2.800 . 3.800 2.676 2.376 2.851 . 0 0 "[ . 1 . ]" 1
358 1 111 ASN H 1 111 ASN HD21 5.000 . 6.000 4.415 3.828 4.767 . 0 0 "[ . 1 . ]" 1
359 1 110 GLY QA 1 111 ASN H 2.500 . 3.300 2.676 2.551 2.821 . 0 0 "[ . 1 . ]" 1
360 1 111 ASN H 1 111 ASN QB 2.200 . 2.800 2.258 2.104 2.393 . 0 0 "[ . 1 . ]" 1
361 1 102 GLY H 1 103 GLU H 2.400 . 3.100 2.891 1.943 3.206 0.106 6 0 "[ . 1 . ]" 1
362 1 102 GLY HA3 1 103 GLU H 3.000 . 4.100 3.468 2.992 3.569 . 0 0 "[ . 1 . ]" 1
363 1 102 GLY HA2 1 103 GLU H 2.800 . 3.800 2.633 2.245 3.475 . 0 0 "[ . 1 . ]" 1
364 1 103 GLU H 1 103 GLU QG 2.600 . 3.500 2.550 2.209 3.292 . 0 0 "[ . 1 . ]" 1
365 1 103 GLU H 1 103 GLU QB 2.400 . 3.100 2.342 2.146 2.576 . 0 0 "[ . 1 . ]" 1
366 1 103 GLU H 1 109 ILE HG12 3.300 . 4.600 2.636 1.991 3.721 0.009 1 0 "[ . 1 . ]" 1
367 1 103 GLU H 1 109 ILE MD 3.500 . 5.100 3.517 2.775 4.106 . 0 0 "[ . 1 . ]" 1
368 1 111 ASN H 1 111 ASN HD22 6.000 . 6.000 5.484 4.276 5.792 . 0 0 "[ . 1 . ]" 1
369 1 48 GLY HA3 1 111 ASN H 4.300 . 6.000 2.310 1.944 3.545 0.056 6 0 "[ . 1 . ]" 1
370 1 30 ASP H 1 31 ILE H 3.100 . 4.300 2.557 2.007 2.854 . 0 0 "[ . 1 . ]" 1
371 1 31 ILE H 1 32 ALA H 2.700 . 3.600 2.347 1.999 2.580 . 0 0 "[ . 1 . ]" 1
372 1 31 ILE H 1 31 ILE HG13 2.800 . 3.800 2.760 1.873 3.963 0.163 11 0 "[ . 1 . ]" 1
373 1 31 ILE H 1 31 ILE HG12 3.200 . 4.500 2.902 1.926 3.731 . 0 0 "[ . 1 . ]" 1
374 1 30 ASP HB3 1 31 ILE H 3.900 . 5.800 2.901 2.072 4.076 . 0 0 "[ . 1 . ]" 1
375 1 59 GLU H 1 61 LEU H 4.600 . 6.000 4.157 3.868 4.440 . 0 0 "[ . 1 . ]" 1
376 1 79 HIS HA 1 80 ALA H 2.900 . 4.000 2.683 2.586 2.870 . 0 0 "[ . 1 . ]" 1
377 1 80 ALA H 1 81 GLY HA2 6.000 . 6.000 6.092 5.920 6.229 0.229 9 0 "[ . 1 . ]" 1
378 1 80 ALA H 1 80 ALA HA 2.500 . 3.300 2.821 2.784 2.874 . 0 0 "[ . 1 . ]" 1
379 1 79 HIS HB2 1 80 ALA H 4.500 . 6.000 4.338 4.145 4.415 . 0 0 "[ . 1 . ]" 1
380 1 78 VAL HA 1 80 ALA H 3.500 . 5.000 4.248 3.982 4.468 . 0 0 "[ . 1 . ]" 1
381 1 79 HIS HB3 1 80 ALA H 3.900 . 5.800 4.405 4.365 4.442 . 0 0 "[ . 1 . ]" 1
382 1 80 ALA H 1 80 ALA MB 2.600 . 3.400 2.239 2.226 2.261 . 0 0 "[ . 1 . ]" 1
383 1 78 VAL MG1 1 80 ALA H 4.200 . 6.000 5.023 4.596 5.233 . 0 0 "[ . 1 . ]" 1
384 1 80 ALA H 1 86 ILE MD 4.200 . 6.000 5.053 4.789 5.410 . 0 0 "[ . 1 . ]" 1
385 1 111 ASN HA 1 112 LYS H 3.600 . 5.300 3.517 3.435 3.572 . 0 0 "[ . 1 . ]" 1
386 1 112 LYS H 1 112 LYS HB3 3.200 . 4.400 3.530 2.700 3.624 . 0 0 "[ . 1 . ]" 1
387 1 112 LYS H 1 112 LYS HB2 2.800 . 3.800 2.435 2.246 3.473 . 0 0 "[ . 1 . ]" 1
388 1 112 LYS H 1 112 LYS HG3 3.600 . 5.200 3.355 1.948 3.852 0.052 17 0 "[ . 1 . ]" 1
389 1 109 ILE HA 1 112 LYS H 3.400 . 4.900 3.992 3.651 4.400 . 0 0 "[ . 1 . ]" 1
390 1 112 LYS H 1 112 LYS HG2 3.000 . 4.100 2.815 2.066 4.147 0.047 5 0 "[ . 1 . ]" 1
391 1 35 ILE MG 1 36 GLN H 3.400 . 6.000 3.921 2.381 4.426 . 0 0 "[ . 1 . ]" 1
392 1 36 GLN H 1 36 GLN HB2 3.200 . 4.500 2.946 2.421 3.615 . 0 0 "[ . 1 . ]" 1
393 1 79 HIS HB3 1 86 ILE H 5.000 . 6.000 4.645 4.322 4.971 . 0 0 "[ . 1 . ]" 1
394 1 118 ILE HA 1 119 GLU H 3.600 . 5.200 3.454 3.403 3.510 . 0 0 "[ . 1 . ]" 1
395 1 118 ILE HB 1 119 GLU H 2.800 . 3.800 3.020 2.750 3.213 . 0 0 "[ . 1 . ]" 1
396 1 118 ILE HG13 1 119 GLU H 4.100 . 6.000 4.674 4.229 5.347 . 0 0 "[ . 1 . ]" 1
397 1 100 ALA H 1 100 ALA HA 2.500 . 3.300 2.898 2.765 2.948 . 0 0 "[ . 1 . ]" 1
398 1 99 ASN HA 1 100 ALA H 3.000 . 4.100 3.427 3.296 3.561 . 0 0 "[ . 1 . ]" 1
399 1 100 ALA H 1 100 ALA MB 2.500 . 3.300 2.345 2.214 2.598 . 0 0 "[ . 1 . ]" 1
400 1 44 MET HB3 1 45 SER H 3.900 . 5.800 2.979 1.960 4.047 0.040 4 0 "[ . 1 . ]" 1
401 1 27 ILE H 1 27 ILE QG 3.500 . 3.800 2.118 1.934 2.566 0.066 2 0 "[ . 1 . ]" 1
402 1 27 ILE H 1 27 ILE MD 4.600 . 6.000 3.594 2.140 4.119 . 0 0 "[ . 1 . ]" 1
403 1 42 ALA H 1 43 ASP H 3.100 . 4.300 2.808 2.228 4.230 . 0 0 "[ . 1 . ]" 1
404 1 43 ASP H 1 43 ASP HA 2.700 . 3.600 2.640 2.253 2.939 . 0 0 "[ . 1 . ]" 1
405 1 49 CYS H 1 107 CYS HA 3.700 . 5.400 4.006 3.541 4.888 . 0 0 "[ . 1 . ]" 1
406 1 43 ASP H 1 43 ASP HB2 2.900 . 4.000 3.274 2.554 3.655 . 0 0 "[ . 1 . ]" 1
407 1 42 ALA HA 1 43 ASP H 2.500 . 6.000 3.341 2.919 3.569 . 0 0 "[ . 1 . ]" 1
408 1 43 ASP H 1 43 ASP HB3 2.800 . 3.800 3.379 2.555 4.054 0.254 14 0 "[ . 1 . ]" 1
409 1 42 ALA MB 1 43 ASP H 3.100 . 4.300 2.525 1.840 3.607 0.060 4 0 "[ . 1 . ]" 1
410 1 51 LYS H 1 51 LYS HA 2.600 . 3.500 2.867 2.814 2.893 . 0 0 "[ . 1 . ]" 1
411 1 51 LYS H 1 51 LYS QB 2.300 . 3.000 2.229 2.119 2.305 . 0 0 "[ . 1 . ]" 1
412 1 50 LEU QD 1 51 LYS H 3.400 . 6.000 3.417 2.884 3.972 . 0 0 "[ . 1 . ]" 1
413 1 50 LEU QB 1 51 LYS H 2.400 . 3.100 2.441 2.202 2.737 . 0 0 "[ . 1 . ]" 1
414 1 50 LEU HA 1 53 CYS H 3.900 . 5.800 3.696 3.373 3.967 . 0 0 "[ . 1 . ]" 1
415 1 52 ALA MB 1 53 CYS H 3.200 . 4.500 3.028 2.866 3.357 . 0 0 "[ . 1 . ]" 1
416 1 53 CYS H 1 54 VAL MG1 5.200 . 6.000 5.728 3.685 5.912 . 0 0 "[ . 1 . ]" 1
417 1 53 CYS H 1 53 CYS HA 2.700 . 3.600 2.823 2.795 2.888 . 0 0 "[ . 1 . ]" 1
418 1 52 ALA HA 1 53 CYS H 5.600 . 6.000 3.377 3.204 3.451 . 0 0 "[ . 1 . ]" 1
419 1 86 ILE H 1 87 GLN H 2.600 . 3.400 2.303 2.217 2.420 . 0 0 "[ . 1 . ]" 1
420 1 85 ASP HA 1 86 ILE H 3.600 . 5.200 3.448 3.399 3.489 . 0 0 "[ . 1 . ]" 1
421 1 83 ALA HA 1 86 ILE H 3.000 . 4.200 3.819 3.723 3.898 . 0 0 "[ . 1 . ]" 1
422 1 79 HIS HB2 1 86 ILE H 4.100 . 6.000 4.687 4.279 5.035 . 0 0 "[ . 1 . ]" 1
423 1 86 ILE H 1 86 ILE HA 2.700 . 3.600 2.878 2.851 2.898 . 0 0 "[ . 1 . ]" 1
424 1 85 ASP QB 1 86 ILE H 3.000 . 4.100 2.846 2.611 3.632 . 0 0 "[ . 1 . ]" 1
425 1 86 ILE H 1 86 ILE HG13 2.200 . 2.800 2.300 2.127 2.435 . 0 0 "[ . 1 . ]" 1
426 1 86 ILE H 1 86 ILE MD 3.600 . 5.200 3.531 3.408 3.664 . 0 0 "[ . 1 . ]" 1
427 1 86 ILE H 1 86 ILE HG12 3.600 . 5.200 3.624 3.500 3.758 . 0 0 "[ . 1 . ]" 1
428 1 108 ASN H 1 108 ASN HB3 3.400 . 4.800 3.093 2.517 3.596 . 0 0 "[ . 1 . ]" 1
429 1 13 TYR H 1 13 TYR QD 4.000 . 6.000 4.092 3.964 4.190 . 0 0 "[ . 1 . ]" 1
430 1 13 TYR H 1 14 LEU H 2.700 . 3.600 2.735 2.478 2.909 . 0 0 "[ . 1 . ]" 1
431 1 12 GLU H 1 13 TYR H 2.600 . 3.500 2.649 2.456 2.779 . 0 0 "[ . 1 . ]" 1
432 1 13 TYR H 1 13 TYR HB3 2.600 . 3.500 2.807 2.562 2.947 . 0 0 "[ . 1 . ]" 1
433 1 13 TYR H 1 13 TYR HB2 2.400 . 3.100 2.282 2.185 2.485 . 0 0 "[ . 1 . ]" 1
434 1 12 GLU HB2 1 13 TYR H 3.400 . 4.900 3.587 3.115 3.944 . 0 0 "[ . 1 . ]" 1
435 1 12 GLU HB3 1 13 TYR H 2.600 . 3.400 2.770 2.280 3.016 . 0 0 "[ . 1 . ]" 1
436 1 13 TYR H 1 78 VAL MG2 4.000 . 6.000 4.752 3.620 5.214 . 0 0 "[ . 1 . ]" 1
437 1 99 ASN HA 1 101 LYS H 4.300 . 6.000 4.225 3.747 4.802 . 0 0 "[ . 1 . ]" 1
438 1 112 LYS HG3 1 113 TYR H 4.300 . 6.000 4.799 2.187 5.250 . 0 0 "[ . 1 . ]" 1
439 1 45 SER H 1 45 SER QB 2.600 . 3.500 2.394 2.252 2.620 . 0 0 "[ . 1 . ]" 1
440 1 84 ASP H 1 85 ASP HA 4.200 . 6.000 4.982 4.925 5.090 . 0 0 "[ . 1 . ]" 1
441 1 83 ALA HA 1 84 ASP H 3.300 . 4.600 3.500 3.442 3.572 . 0 0 "[ . 1 . ]" 1
442 1 84 ASP H 1 84 ASP QB 2.800 . 3.800 2.558 2.514 2.642 . 0 0 "[ . 1 . ]" 1
443 1 11 MET H 1 12 GLU H 3.000 . 4.100 2.622 2.557 2.738 . 0 0 "[ . 1 . ]" 1
444 1 12 GLU H 1 12 GLU HA 3.000 . 4.100 2.821 2.791 2.879 . 0 0 "[ . 1 . ]" 1
445 1 11 MET HB3 1 12 GLU H 2.800 . 3.800 2.563 2.075 3.129 . 0 0 "[ . 1 . ]" 1
446 1 12 GLU H 1 12 GLU HG3 4.600 . 6.000 4.460 4.408 4.549 . 0 0 "[ . 1 . ]" 1
447 1 53 CYS H 1 53 CYS HB2 2.600 . 3.500 2.745 2.489 2.945 . 0 0 "[ . 1 . ]" 1
448 1 38 ALA MB 1 39 LYS H 2.500 . 3.300 2.152 1.722 3.552 0.252 5 0 "[ . 1 . ]" 1
449 1 108 ASN H 1 109 ILE H 3.500 . 5.000 2.572 2.323 2.781 . 0 0 "[ . 1 . ]" 1
450 1 105 ASP HB3 1 108 ASN H 3.800 . 5.600 2.909 2.713 3.125 . 0 0 "[ . 1 . ]" 1
451 1 105 ASP HB2 1 108 ASN H 4.400 . 6.000 4.400 4.278 4.541 . 0 0 "[ . 1 . ]" 1
452 1 6 VAL MG2 1 9 LYS H 3.700 . 6.000 5.514 5.353 5.573 . 0 0 "[ . 1 . ]" 1
453 1 9 LYS H 1 9 LYS HA 2.700 . 3.600 2.909 2.879 2.919 . 0 0 "[ . 1 . ]" 1
454 1 9 LYS H 1 9 LYS HB2 3.000 . 4.100 2.350 2.186 2.511 . 0 0 "[ . 1 . ]" 1
455 1 9 LYS H 1 9 LYS HB3 2.500 . 6.000 3.567 3.278 3.659 . 0 0 "[ . 1 . ]" 1
456 1 9 LYS H 1 9 LYS QD 3.100 . 4.300 3.306 2.382 3.939 . 0 0 "[ . 1 . ]" 1
457 1 9 LYS H 1 78 VAL MG1 4.800 . 6.000 4.332 3.904 5.787 . 0 0 "[ . 1 . ]" 1
458 1 101 LYS H 1 102 GLY H 3.700 . 5.400 3.750 2.857 4.586 . 0 0 "[ . 1 . ]" 1
459 1 100 ALA H 1 101 LYS H 2.400 . 3.100 2.470 2.062 3.103 0.003 11 0 "[ . 1 . ]" 1
460 1 100 ALA HA 1 101 LYS H 3.100 . 4.300 3.280 2.671 3.550 . 0 0 "[ . 1 . ]" 1
461 1 101 LYS H 1 101 LYS HA 2.700 . 3.600 2.518 2.255 2.858 . 0 0 "[ . 1 . ]" 1
462 1 98 GLU HA 1 101 LYS H 3.300 . 4.700 4.125 3.283 4.708 0.008 5 0 "[ . 1 . ]" 1
463 1 101 LYS H 1 101 LYS HB2 2.500 . 3.300 3.529 2.114 3.943 0.643 13 6 "[* . *1 +*.*-]" 1
464 1 101 LYS H 1 101 LYS QB 2.600 . 3.400 2.761 2.094 3.259 . 0 0 "[ . 1 . ]" 1
465 1 101 LYS H 1 101 LYS HG3 3.200 . 4.500 3.201 1.782 5.078 0.578 5 1 "[ + 1 . ]" 1
466 1 66 LEU HG 1 101 LYS H 5.000 . 6.000 5.911 5.220 6.083 0.083 1 0 "[ . 1 . ]" 1
467 1 97 ILE HA 1 101 LYS H 5.600 . 6.000 3.938 2.643 4.861 . 0 0 "[ . 1 . ]" 1
468 1 66 LEU QD 1 101 LYS H 3.500 . 5.100 3.870 3.063 4.814 . 0 0 "[ . 1 . ]" 1
469 1 74 MET H 1 75 ILE H 2.600 . 3.400 2.509 2.361 2.612 . 0 0 "[ . 1 . ]" 1
470 1 72 TYR H 1 74 MET H 4.700 . 6.000 4.386 4.162 4.554 . 0 0 "[ . 1 . ]" 1
471 1 73 LYS H 1 74 MET H 2.400 . 3.100 2.474 2.337 2.548 . 0 0 "[ . 1 . ]" 1
472 1 73 LYS HA 1 74 MET H 3.100 . 4.300 3.550 3.498 3.580 . 0 0 "[ . 1 . ]" 1
473 1 71 VAL HA 1 74 MET H 3.200 . 4.500 3.180 2.968 3.372 . 0 0 "[ . 1 . ]" 1
474 1 74 MET H 1 74 MET HA 2.600 . 3.400 2.859 2.833 2.895 . 0 0 "[ . 1 . ]" 1
475 1 74 MET H 1 74 MET HG3 2.600 . 3.400 2.701 1.832 3.414 0.014 8 0 "[ . 1 . ]" 1
476 1 74 MET H 1 75 ILE HB 4.100 . 6.000 3.819 3.668 4.022 . 0 0 "[ . 1 . ]" 1
477 1 74 MET H 1 74 MET HG2 2.100 . 2.700 2.273 1.807 3.369 0.669 11 1 "[ . 1+ . ]" 1
478 1 73 LYS HG3 1 74 MET H 5.200 . 6.000 4.487 3.518 5.359 . 0 0 "[ . 1 . ]" 1
479 1 74 MET H 1 78 VAL HB 3.800 . 5.600 5.719 5.654 5.747 0.147 11 0 "[ . 1 . ]" 1
480 1 73 LYS HG2 1 74 MET H 4.100 . 6.000 4.735 4.365 5.108 . 0 0 "[ . 1 . ]" 1
481 1 115 ASP H 1 116 CYS H 3.000 . 4.100 3.085 2.852 3.280 . 0 0 "[ . 1 . ]" 1
482 1 115 ASP HA 1 116 CYS H 4.200 . 6.000 3.555 3.525 3.569 . 0 0 "[ . 1 . ]" 1
483 1 116 CYS H 1 116 CYS HA 2.700 . 3.600 2.802 2.745 2.888 . 0 0 "[ . 1 . ]" 1
484 1 113 TYR HA 1 116 CYS H 4.600 . 6.000 4.044 3.752 4.429 . 0 0 "[ . 1 . ]" 1
485 1 116 CYS H 1 116 CYS HB2 3.000 . 4.100 3.277 2.851 3.537 . 0 0 "[ . 1 . ]" 1
486 1 116 CYS H 1 116 CYS HB3 2.500 . 3.300 2.610 2.147 3.093 . 0 0 "[ . 1 . ]" 1
487 1 115 ASP QB 1 116 CYS H 2.700 . 3.600 2.158 1.883 2.602 0.017 11 0 "[ . 1 . ]" 1
488 1 116 CYS H 1 117 TYR H 2.700 . 3.600 2.721 2.445 2.917 . 0 0 "[ . 1 . ]" 1
489 1 112 LYS HA 1 113 TYR H 3.400 . 4.800 3.491 3.412 3.555 . 0 0 "[ . 1 . ]" 1
490 1 113 TYR H 1 113 TYR HA 3.000 . 4.100 2.871 2.815 2.903 . 0 0 "[ . 1 . ]" 1
491 1 109 ILE HA 1 113 TYR H 3.700 . 5.400 4.539 4.010 5.234 . 0 0 "[ . 1 . ]" 1
492 1 113 TYR H 1 113 TYR HB2 2.300 . 3.000 2.423 2.172 2.597 . 0 0 "[ . 1 . ]" 1
493 1 113 TYR H 1 113 TYR HB3 2.600 . 3.400 2.721 2.554 3.097 . 0 0 "[ . 1 . ]" 1
494 1 112 LYS HB2 1 113 TYR H 2.600 . 3.500 2.887 2.504 3.460 . 0 0 "[ . 1 . ]" 1
495 1 109 ILE MG 1 113 TYR H 3.500 . 5.100 4.388 3.828 5.154 0.054 9 0 "[ . 1 . ]" 1
496 1 113 TYR H 1 113 TYR QD 4.000 . 6.000 4.129 3.809 4.231 . 0 0 "[ . 1 . ]" 1
497 1 110 GLY QA 1 113 TYR H 4.800 . 6.000 3.244 2.862 4.075 . 0 0 "[ . 1 . ]" 1
498 1 112 LYS HB3 1 113 TYR H 3.100 . 4.300 3.739 3.510 4.032 . 0 0 "[ . 1 . ]" 1
499 1 106 GLU H 1 107 CYS H 2.900 . 4.000 3.076 2.918 3.277 . 0 0 "[ . 1 . ]" 1
500 1 107 CYS H 1 108 ASN H 2.400 . 3.100 2.810 2.748 2.978 . 0 0 "[ . 1 . ]" 1
501 1 107 CYS H 1 107 CYS HA 2.700 . 3.600 2.757 2.727 2.799 . 0 0 "[ . 1 . ]" 1
502 1 106 GLU HA 1 107 CYS H 2.900 . 4.000 3.573 3.567 3.585 . 0 0 "[ . 1 . ]" 1
503 1 107 CYS H 1 107 CYS HB2 2.300 . 3.000 2.428 2.284 2.565 . 0 0 "[ . 1 . ]" 1
504 1 105 ASP HB2 1 107 CYS H 4.600 . 6.000 5.470 5.296 5.696 . 0 0 "[ . 1 . ]" 1
505 1 107 CYS H 1 107 CYS HB3 3.400 . 4.800 3.577 3.535 3.596 . 0 0 "[ . 1 . ]" 1
506 1 105 ASP HB3 1 107 CYS H 3.400 . 4.800 4.697 4.450 4.831 0.031 8 0 "[ . 1 . ]" 1
507 1 106 GLU HB2 1 107 CYS H 3.500 . 5.000 3.061 2.148 3.453 . 0 0 "[ . 1 . ]" 1
508 1 106 GLU HB3 1 107 CYS H 2.700 . 3.600 2.148 2.000 2.896 . 0 0 "[ . 1 . ]" 1
509 1 52 ALA MB 1 107 CYS H 3.800 . 6.000 5.493 5.253 5.865 . 0 0 "[ . 1 . ]" 1
510 1 106 GLU HG3 1 107 CYS H 3.900 . 5.800 3.853 2.682 4.459 . 0 0 "[ . 1 . ]" 1
511 1 30 ASP H 1 31 ILE HB 5.500 . 6.000 4.925 4.377 5.203 . 0 0 "[ . 1 . ]" 1
512 1 30 ASP H 1 30 ASP HB3 3.900 . 5.800 2.855 2.470 3.635 . 0 0 "[ . 1 . ]" 1
513 1 29 GLU QB 1 30 ASP H 3.400 . 4.900 3.294 2.689 3.862 . 0 0 "[ . 1 . ]" 1
514 1 83 ALA H 1 84 ASP H 2.800 . 3.700 2.524 2.400 2.682 . 0 0 "[ . 1 . ]" 1
515 1 82 ASN HA 1 84 ASP H 4.500 . 6.000 3.986 3.615 4.460 . 0 0 "[ . 1 . ]" 1
516 1 82 ASN QB 1 84 ASP H 2.600 . 3.400 2.761 2.504 3.306 . 0 0 "[ . 1 . ]" 1
517 1 68 VAL H 1 69 GLU H 2.100 . 2.600 1.799 1.553 2.351 0.047 16 0 "[ . 1 . ]" 1
518 1 67 TYR QD 1 68 VAL H 3.900 . 5.800 3.374 3.039 3.746 . 0 0 "[ . 1 . ]" 1
519 1 67 TYR HA 1 68 VAL H 2.200 . 2.800 2.520 2.193 2.785 . 0 0 "[ . 1 . ]" 1
520 1 68 VAL H 1 68 VAL HA 2.600 . 3.500 2.913 2.819 2.950 . 0 0 "[ . 1 . ]" 1
521 1 67 TYR HB3 1 68 VAL H 2.400 . 3.100 2.260 1.779 3.113 0.013 2 0 "[ . 1 . ]" 1
522 1 67 TYR HB2 1 68 VAL H 4.000 . 6.000 3.598 3.071 4.194 . 0 0 "[ . 1 . ]" 1
523 1 68 VAL H 1 69 GLU HB2 4.800 . 6.000 4.037 3.712 4.583 . 0 0 "[ . 1 . ]" 1
524 1 68 VAL H 1 68 VAL QG 2.600 . 3.500 2.292 1.928 2.722 . 0 0 "[ . 1 . ]" 1
525 1 62 LYS HA 1 63 GLY H 2.500 . 3.300 2.324 2.188 2.366 . 0 0 "[ . 1 . ]" 1
526 1 63 GLY H 1 63 GLY HA2 2.700 . 3.600 2.309 2.296 2.321 . 0 0 "[ . 1 . ]" 1
527 1 62 LYS QB 1 63 GLY H 3.800 . 5.600 3.815 3.592 3.884 . 0 0 "[ . 1 . ]" 1
528 1 62 LYS QG 1 63 GLY H 6.000 . 6.000 4.593 4.143 4.909 . 0 0 "[ . 1 . ]" 1
529 1 21 CYS H 1 23 ASP H . . 5.000 4.244 3.748 4.526 . 0 0 "[ . 1 . ]" 1
530 1 22 ALA HA 1 23 ASP H 4.200 . 6.000 3.480 3.294 3.556 . 0 0 "[ . 1 . ]" 1
531 1 96 CYS HA 1 98 GLU H 4.000 . 6.000 4.199 3.755 4.677 . 0 0 "[ . 1 . ]" 1
532 1 98 GLU H 1 98 GLU HA 2.800 . 3.800 2.844 2.797 2.914 . 0 0 "[ . 1 . ]" 1
533 1 98 GLU H 1 99 ASN QB 5.000 . 6.000 4.517 4.158 4.922 . 0 0 "[ . 1 . ]" 1
534 1 98 GLU H 1 98 GLU QB 2.200 . 2.800 2.448 2.338 2.666 . 0 0 "[ . 1 . ]" 1
535 1 97 ILE MG 1 98 GLU H 3.200 . 4.500 3.565 3.096 3.929 . 0 0 "[ . 1 . ]" 1
536 1 70 PRO HB3 1 71 VAL H 5.200 . 6.000 4.185 3.727 4.397 . 0 0 "[ . 1 . ]" 1
537 1 70 PRO HG3 1 71 VAL H 4.600 . 6.000 4.094 3.765 4.472 . 0 0 "[ . 1 . ]" 1
538 1 70 PRO HG2 1 71 VAL H 2.800 . 3.800 2.674 2.185 3.819 0.019 12 0 "[ . 1 . ]" 1
539 1 60 MET HB2 1 71 VAL H 4.800 . 6.000 4.714 4.097 5.592 . 0 0 "[ . 1 . ]" 1
540 1 58 ILE MD 1 71 VAL H 4.900 . 6.000 4.447 3.607 5.553 . 0 0 "[ . 1 . ]" 1
541 1 68 VAL QG 1 71 VAL H 4.800 . 6.000 4.379 3.731 4.619 . 0 0 "[ . 1 . ]" 1
542 1 71 VAL H 1 71 VAL HA 2.500 . 3.300 2.845 2.782 2.916 . 0 0 "[ . 1 . ]" 1
543 1 70 PRO HD2 1 71 VAL H 2.500 . 3.300 2.835 2.473 3.090 . 0 0 "[ . 1 . ]" 1
544 1 71 VAL H 1 71 VAL MG2 2.900 . 3.900 2.261 1.817 3.733 0.083 12 0 "[ . 1 . ]" 1
545 1 71 VAL H 1 71 VAL MG1 2.900 . 4.000 3.469 2.310 3.813 . 0 0 "[ . 1 . ]" 1
546 1 70 PRO HD3 1 71 VAL H 3.600 . 5.200 3.963 3.764 4.173 . 0 0 "[ . 1 . ]" 1
547 1 2 ASP HB2 1 4 ASP H 4.800 . 6.000 3.718 3.155 4.665 . 0 0 "[ . 1 . ]" 1
548 1 4 ASP H 1 5 THR H 2.400 . 3.100 2.678 2.422 2.908 . 0 0 "[ . 1 . ]" 1
549 1 2 ASP HA 1 4 ASP H 3.700 . 5.400 3.764 3.523 4.068 . 0 0 "[ . 1 . ]" 1
550 1 4 ASP H 1 4 ASP HA 2.700 . 3.600 2.820 2.740 2.891 . 0 0 "[ . 1 . ]" 1
551 1 4 ASP H 1 5 THR HA 4.200 . 6.000 4.736 4.362 5.192 . 0 0 "[ . 1 . ]" 1
552 1 3 GLN HA 1 4 ASP H 3.100 . 4.300 3.428 3.297 3.514 . 0 0 "[ . 1 . ]" 1
553 1 4 ASP H 1 4 ASP HB3 2.500 . 3.300 3.172 2.484 3.623 0.323 2 0 "[ . 1 . ]" 1
554 1 4 ASP H 1 5 THR HA 4.400 . 6.000 5.278 5.070 5.471 . 0 0 "[ . 1 . ]" 1
555 1 39 LYS HB3 1 40 ASN H 3.300 . 4.700 2.760 2.046 4.244 . 0 0 "[ . 1 . ]" 1
556 1 40 ASN H 1 40 ASN HA 2.900 . 4.000 2.929 2.840 2.950 . 0 0 "[ . 1 . ]" 1
557 1 40 ASN H 1 40 ASN QB 3.500 . 5.000 2.845 2.187 3.150 . 0 0 "[ . 1 . ]" 1
558 1 76 GLU H 1 77 VAL H 2.600 . 3.400 2.912 2.799 3.008 . 0 0 "[ . 1 . ]" 1
559 1 73 LYS HA 1 77 VAL H 4.100 . 6.000 5.578 5.266 5.934 . 0 0 "[ . 1 . ]" 1
560 1 77 VAL H 1 77 VAL HA 2.600 . 3.400 2.903 2.886 2.911 . 0 0 "[ . 1 . ]" 1
561 1 76 GLU HA 1 77 VAL H 3.500 . 5.000 3.581 3.576 3.588 . 0 0 "[ . 1 . ]" 1
562 1 75 ILE HA 1 77 VAL H 5.700 . 6.000 4.766 4.594 4.883 . 0 0 "[ . 1 . ]" 1
563 1 74 MET HA 1 77 VAL H 3.000 . 4.100 3.538 3.378 3.707 . 0 0 "[ . 1 . ]" 1
564 1 77 VAL H 1 78 VAL HA 5.700 . 6.000 4.958 4.870 5.059 . 0 0 "[ . 1 . ]" 1
565 1 76 GLU QG 1 77 VAL H 4.400 . 6.000 3.961 3.803 4.200 . 0 0 "[ . 1 . ]" 1
566 1 76 GLU HB3 1 77 VAL H 3.200 . 4.500 3.125 2.997 3.228 . 0 0 "[ . 1 . ]" 1
567 1 77 VAL H 1 77 VAL HB 2.200 . 2.800 2.579 2.510 2.613 . 0 0 "[ . 1 . ]" 1
568 1 77 VAL H 1 80 ALA MB 3.800 . 6.000 5.407 5.023 5.776 . 0 0 "[ . 1 . ]" 1
569 1 77 VAL H 1 78 VAL HB 3.800 . 5.600 4.314 4.254 4.375 . 0 0 "[ . 1 . ]" 1
570 1 77 VAL H 1 77 VAL MG2 2.500 . 3.300 2.165 2.105 2.297 . 0 0 "[ . 1 . ]" 1
571 1 77 VAL H 1 77 VAL MG1 3.600 . 5.200 3.799 3.783 3.809 . 0 0 "[ . 1 . ]" 1
572 1 64 THR H 1 64 THR HB 3.900 . 5.800 3.927 3.746 4.067 . 0 0 "[ . 1 . ]" 1
573 1 62 LYS QE 1 64 THR H 2.700 . 6.000 5.833 5.573 6.016 0.016 12 0 "[ . 1 . ]" 1
574 1 64 THR H 1 64 THR MG 2.800 . 3.800 2.985 2.640 3.325 . 0 0 "[ . 1 . ]" 1
575 1 61 LEU QD 1 64 THR H 4.700 . 6.000 3.271 2.157 4.119 . 0 0 "[ . 1 . ]" 1
576 1 63 GLY H 1 64 THR H 3.300 . 4.700 3.489 2.868 3.855 . 0 0 "[ . 1 . ]" 1
577 1 63 GLY HA2 1 64 THR H 2.500 . 3.300 3.320 2.571 3.562 0.262 16 0 "[ . 1 . ]" 1
578 1 64 THR H 1 65 GLU QB 3.500 . 5.000 3.894 3.276 4.582 . 0 0 "[ . 1 . ]" 1
579 1 10 TYR HB3 1 11 MET H 3.600 . 5.300 3.720 3.157 3.896 . 0 0 "[ . 1 . ]" 1
580 1 11 MET H 1 12 GLU HB3 5.300 . 6.000 4.643 4.513 4.969 . 0 0 "[ . 1 . ]" 1
581 1 10 TYR HB2 1 11 MET H 2.900 . 4.000 3.103 2.591 3.241 . 0 0 "[ . 1 . ]" 1
582 1 11 MET H 1 11 MET QG 2.900 . 4.000 3.513 2.675 4.051 0.051 13 0 "[ . 1 . ]" 1
583 1 11 MET H 1 11 MET HB2 2.700 . 3.600 2.478 2.232 2.734 . 0 0 "[ . 1 . ]" 1
584 1 11 MET H 1 11 MET HB3 2.900 . 3.900 2.918 2.385 3.561 . 0 0 "[ . 1 . ]" 1
585 1 74 MET H 1 76 GLU H 4.400 . 6.000 3.940 3.802 4.056 . 0 0 "[ . 1 . ]" 1
586 1 73 LYS HA 1 76 GLU H 3.200 . 4.500 3.902 3.751 4.045 . 0 0 "[ . 1 . ]" 1
587 1 76 GLU H 1 76 GLU HA 3.000 . 4.100 2.804 2.769 2.848 . 0 0 "[ . 1 . ]" 1
588 1 75 ILE HA 1 76 GLU H 3.200 . 4.500 3.455 3.420 3.502 . 0 0 "[ . 1 . ]" 1
589 1 76 GLU H 1 76 GLU QG 2.300 . 3.000 2.198 1.974 2.502 . 0 0 "[ . 1 . ]" 1
590 1 76 GLU H 1 76 GLU HB3 3.000 . 4.100 2.177 1.965 2.455 . 0 0 "[ . 1 . ]" 1
591 1 76 GLU H 1 78 VAL HB 5.100 . 6.000 4.445 4.299 5.043 . 0 0 "[ . 1 . ]" 1
592 1 76 GLU H 1 90 LYS QD 4.600 . 6.000 5.392 4.091 5.741 . 0 0 "[ . 1 . ]" 1
593 1 75 ILE H 1 76 GLU H 2.400 . 3.100 2.735 2.568 2.812 . 0 0 "[ . 1 . ]" 1
594 1 24 GLU HB3 1 25 LEU H 3.300 . 4.600 2.536 2.243 3.294 . 0 0 "[ . 1 . ]" 1
595 1 25 LEU H 1 25 LEU HG 2.400 . 3.100 2.426 2.175 2.913 . 0 0 "[ . 1 . ]" 1
596 1 25 LEU H 1 25 LEU QB 2.300 . 3.000 2.576 2.406 2.824 . 0 0 "[ . 1 . ]" 1
597 1 25 LEU H 1 50 LEU QB 4.000 . 6.000 5.240 4.790 5.622 . 0 0 "[ . 1 . ]" 1
598 1 25 LEU H 1 25 LEU MD2 3.300 . 4.700 3.496 2.942 4.188 . 0 0 "[ . 1 . ]" 1
599 1 24 GLU HA 1 25 LEU H 4.000 . 6.000 3.572 3.402 3.609 . 0 0 "[ . 1 . ]" 1
600 1 22 ALA HA 1 25 LEU H 3.700 . 5.400 4.128 3.523 4.341 . 0 0 "[ . 1 . ]" 1
601 1 84 ASP HA 1 87 GLN H 2.900 . 4.000 2.683 2.593 2.751 . 0 0 "[ . 1 . ]" 1
602 1 86 ILE HG12 1 87 GLN H 5.500 . 6.000 5.050 4.854 5.149 . 0 0 "[ . 1 . ]" 1
603 1 87 GLN H 1 89 VAL H 5.200 . 6.000 4.509 4.115 4.669 . 0 0 "[ . 1 . ]" 1
604 1 87 GLN H 1 88 LEU H 2.500 . 3.300 2.424 2.341 2.767 . 0 0 "[ . 1 . ]" 1
605 1 85 ASP HA 1 87 GLN H 4.000 . 6.000 4.185 4.072 4.851 . 0 0 "[ . 1 . ]" 1
606 1 87 GLN H 1 87 GLN HA 2.600 . 3.500 2.859 2.749 2.878 . 0 0 "[ . 1 . ]" 1
607 1 86 ILE HA 1 87 GLN H 3.200 . 4.500 3.478 3.455 3.547 . 0 0 "[ . 1 . ]" 1
608 1 87 GLN H 1 87 GLN QG 2.600 . 3.400 2.795 2.047 3.498 0.098 9 0 "[ . 1 . ]" 1
609 1 87 GLN H 1 87 GLN QB 2.100 . 2.700 2.267 2.045 2.550 . 0 0 "[ . 1 . ]" 1
610 1 86 ILE HB 1 87 GLN H 2.600 . 3.400 2.802 2.224 2.925 . 0 0 "[ . 1 . ]" 1
611 1 20 PRO HA 1 21 CYS H 3.900 . 5.800 3.574 3.529 3.593 . 0 0 "[ . 1 . ]" 1
612 1 21 CYS H 1 21 CYS HA 2.600 . 3.500 2.843 2.772 2.913 . 0 0 "[ . 1 . ]" 1
613 1 20 PRO HD3 1 21 CYS H 3.600 . 5.200 4.258 3.678 4.549 . 0 0 "[ . 1 . ]" 1
614 1 21 CYS H 1 21 CYS HB2 2.400 . 6.000 2.439 2.144 2.794 . 0 0 "[ . 1 . ]" 1
615 1 21 CYS H 1 21 CYS HB3 3.500 . 5.000 3.562 3.173 3.648 . 0 0 "[ . 1 . ]" 1
616 1 20 PRO HB3 1 21 CYS H 4.700 . 6.000 3.716 3.452 4.073 . 0 0 "[ . 1 . ]" 1
617 1 20 PRO QG 1 21 CYS H 3.600 . 5.200 3.701 3.604 3.793 . 0 0 "[ . 1 . ]" 1
618 1 20 PRO HB2 1 21 CYS H 3.000 . 4.100 2.280 1.967 2.796 . 0 0 "[ . 1 . ]" 1
619 1 60 MET H 1 62 LYS QG 5.000 . 6.000 5.196 3.865 5.697 . 0 0 "[ . 1 . ]" 1
620 1 59 GLU H 1 60 MET H 2.400 . 3.100 2.802 2.671 3.003 . 0 0 "[ . 1 . ]" 1
621 1 60 MET H 1 61 LEU H 2.200 . 2.800 2.141 1.634 2.583 . 0 0 "[ . 1 . ]" 1
622 1 60 MET H 1 60 MET HA 2.800 . 3.800 2.920 2.850 2.950 . 0 0 "[ . 1 . ]" 1
623 1 59 GLU HA 1 60 MET H 2.500 . 3.300 2.830 2.518 3.154 . 0 0 "[ . 1 . ]" 1
624 1 60 MET H 1 60 MET QG 3.200 . 4.500 3.786 2.372 4.297 . 0 0 "[ . 1 . ]" 1
625 1 59 GLU HB3 1 60 MET H 3.900 . 5.800 4.398 4.311 4.667 . 0 0 "[ . 1 . ]" 1
626 1 60 MET H 1 61 LEU QB 5.700 . 6.000 3.967 3.605 4.427 . 0 0 "[ . 1 . ]" 1
627 1 60 MET H 1 61 LEU QB 4.000 . 6.000 4.006 3.633 4.475 . 0 0 "[ . 1 . ]" 1
628 1 58 ILE MD 1 60 MET H 3.500 . 5.100 4.326 3.895 4.995 . 0 0 "[ . 1 . ]" 1
629 1 56 LYS HA 1 60 MET H 3.300 . 4.700 3.081 2.312 3.719 . 0 0 "[ . 1 . ]" 1
630 1 60 MET H 1 60 MET HB3 2.600 . 3.500 2.657 2.352 3.117 . 0 0 "[ . 1 . ]" 1
631 1 120 LYS H 1 121 LEU HB3 5.900 . 6.000 5.001 4.434 5.429 . 0 0 "[ . 1 . ]" 1
632 1 92 ILE MD 1 120 LYS H 3.800 . 5.600 3.501 3.275 3.749 . 0 0 "[ . 1 . ]" 1
633 1 120 LYS H 1 121 LEU H 2.400 . 3.100 2.526 2.369 2.615 . 0 0 "[ . 1 . ]" 1
634 1 120 LYS H 1 122 PHE H 4.200 . 6.000 3.579 3.388 4.161 . 0 0 "[ . 1 . ]" 1
635 1 95 GLU HB3 1 120 LYS H 3.000 . 6.000 6.219 6.021 6.871 0.871 11 4 "[ * . 1+ - *]" 1
636 1 119 GLU HB2 1 120 LYS H 2.700 . 3.600 3.482 2.276 3.857 0.257 11 0 "[ . 1 . ]" 1
637 1 120 LYS H 1 120 LYS HB3 2.900 . 4.000 3.625 3.601 3.646 . 0 0 "[ . 1 . ]" 1
638 1 120 LYS H 1 120 LYS HB2 2.400 . 3.100 2.203 1.682 2.600 0.018 5 0 "[ . 1 . ]" 1
639 1 119 GLU QG 1 120 LYS H 6.000 . 6.000 3.533 3.168 4.119 . 0 0 "[ . 1 . ]" 1
640 1 99 ASN H 1 99 ASN HA 2.900 . 4.000 2.907 2.787 2.940 . 0 0 "[ . 1 . ]" 1
641 1 98 GLU HA 1 99 ASN H 3.100 . 4.300 3.481 3.375 3.569 . 0 0 "[ . 1 . ]" 1
642 1 97 ILE HA 1 99 ASN H 3.700 . 5.400 4.187 3.703 4.931 . 0 0 "[ . 1 . ]" 1
643 1 99 ASN H 1 99 ASN QB 2.100 . 2.600 2.422 2.225 2.617 0.017 17 0 "[ . 1 . ]" 1
644 1 96 CYS QB 1 99 ASN H 6.000 . 6.000 4.813 4.503 5.118 . 0 0 "[ . 1 . ]" 1
645 1 98 GLU QB 1 99 ASN H 2.500 . 3.300 2.854 2.316 3.327 0.027 13 0 "[ . 1 . ]" 1
646 1 99 ASN H 1 100 ALA MB 4.100 . 6.000 4.033 3.689 4.530 . 0 0 "[ . 1 . ]" 1
647 1 97 ILE MG 1 99 ASN H 4.200 . 6.000 4.913 4.461 5.408 . 0 0 "[ . 1 . ]" 1
648 1 24 GLU HB2 1 25 LEU H 2.700 . 3.600 3.469 2.521 3.667 0.067 12 0 "[ . 1 . ]" 1
649 1 26 HIS H 1 27 ILE H 2.800 . 3.800 2.931 2.438 3.954 0.154 15 0 "[ . 1 . ]" 1
650 1 26 HIS H 1 26 HIS HA 2.200 . 2.800 2.780 2.741 2.805 0.005 11 0 "[ . 1 . ]" 1
651 1 25 LEU HA 1 26 HIS H 2.900 . 3.900 3.325 2.726 3.569 . 0 0 "[ . 1 . ]" 1
652 1 24 GLU HA 1 26 HIS H 5.100 . 6.000 4.819 3.712 5.348 . 0 0 "[ . 1 . ]" 1
653 1 22 ALA HA 1 26 HIS H 5.500 . 6.000 4.184 3.862 4.410 . 0 0 "[ . 1 . ]" 1
654 1 26 HIS H 1 26 HIS HB2 3.300 . 4.600 3.356 2.325 3.948 . 0 0 "[ . 1 . ]" 1
655 1 24 GLU HB3 1 26 HIS H 3.700 . 5.400 4.735 4.489 5.290 . 0 0 "[ . 1 . ]" 1
656 1 25 LEU HB2 1 26 HIS H 2.900 . 3.900 2.973 2.446 4.132 0.232 15 0 "[ . 1 . ]" 1
657 1 25 LEU HB3 1 26 HIS H 3.200 . 4.500 3.947 3.658 4.489 . 0 0 "[ . 1 . ]" 1
658 1 26 HIS H 1 26 HIS HB3 3.300 . 4.600 3.257 2.619 3.912 . 0 0 "[ . 1 . ]" 1
659 1 25 LEU HG 1 26 HIS H 4.600 . 6.000 4.292 3.738 4.936 . 0 0 "[ . 1 . ]" 1
660 1 99 ASN H 1 100 ALA HA 4.800 . 6.000 4.955 4.651 5.386 . 0 0 "[ . 1 . ]" 1
661 1 95 GLU HA 1 96 CYS H 3.300 . 4.700 3.459 3.400 3.520 . 0 0 "[ . 1 . ]" 1
662 1 96 CYS H 1 96 CYS QB . . 3.100 2.370 2.039 2.643 . 0 0 "[ . 1 . ]" 1
663 1 95 GLU HB3 1 96 CYS H 2.900 . 4.000 3.201 2.649 4.107 0.107 11 0 "[ . 1 . ]" 1
664 1 92 ILE MG 1 96 CYS H 3.600 . 5.200 4.527 4.293 4.956 . 0 0 "[ . 1 . ]" 1
665 1 96 CYS H 1 96 CYS HA 2.800 . 3.800 2.881 2.822 2.904 . 0 0 "[ . 1 . ]" 1
666 1 93 ALA HA 1 96 CYS H 3.600 . 5.200 3.540 3.176 3.969 . 0 0 "[ . 1 . ]" 1
667 1 92 ILE HA 1 96 CYS H 5.000 . 6.000 5.068 4.727 5.541 . 0 0 "[ . 1 . ]" 1
668 1 96 CYS H 1 116 CYS HB2 4.700 . 6.000 4.602 4.290 5.092 . 0 0 "[ . 1 . ]" 1
669 1 96 CYS H 1 97 ILE HB 4.400 . 6.000 4.691 4.417 4.942 . 0 0 "[ . 1 . ]" 1
670 1 95 GLU HB2 1 96 CYS H 3.400 . 4.800 3.711 2.690 4.150 . 0 0 "[ . 1 . ]" 1
671 1 93 ALA MB 1 96 CYS H 5.100 . 6.000 4.585 4.259 4.909 . 0 0 "[ . 1 . ]" 1
672 1 115 ASP HA 1 118 ILE H 3.300 . 4.700 3.954 3.468 4.487 . 0 0 "[ . 1 . ]" 1
673 1 117 TYR H 1 118 ILE H 2.900 . 3.900 2.742 2.622 2.889 . 0 0 "[ . 1 . ]" 1
674 1 118 ILE H 1 118 ILE HA 2.600 . 3.400 2.885 2.797 2.902 . 0 0 "[ . 1 . ]" 1
675 1 117 TYR HB3 1 118 ILE H 2.600 . 3.400 2.898 2.230 3.205 . 0 0 "[ . 1 . ]" 1
676 1 118 ILE H 1 118 ILE HB 2.300 . 3.000 2.524 2.390 2.591 . 0 0 "[ . 1 . ]" 1
677 1 118 ILE H 1 118 ILE HG13 2.500 . 6.000 2.898 2.087 3.736 . 0 0 "[ . 1 . ]" 1
678 1 118 ILE H 1 118 ILE HG12 2.600 . 3.400 3.017 1.995 4.007 0.607 3 1 "[ + . 1 . ]" 1
679 1 118 ILE H 1 118 ILE MG 3.400 . 4.900 3.778 3.744 3.796 . 0 0 "[ . 1 . ]" 1
680 1 118 ILE H 1 118 ILE MD 3.700 . 5.400 3.408 1.980 3.724 0.020 3 0 "[ . 1 . ]" 1
681 1 118 ILE H 1 119 GLU H 2.600 . 3.500 2.374 2.289 2.687 . 0 0 "[ . 1 . ]" 1
682 1 117 TYR HA 1 118 ILE H 3.400 . 4.900 3.513 3.463 3.566 . 0 0 "[ . 1 . ]" 1
683 1 117 TYR HB2 1 118 ILE H 3.300 . 4.700 3.466 3.252 3.717 . 0 0 "[ . 1 . ]" 1
684 1 19 MET H 1 22 ALA MB 6.000 . 6.000 4.548 3.826 5.559 . 0 0 "[ . 1 . ]" 1
685 1 18 ILE H 1 19 MET H 3.300 . 4.700 2.383 2.291 2.487 . 0 0 "[ . 1 . ]" 1
686 1 19 MET H 1 19 MET HA 2.800 . 3.800 2.755 2.713 2.804 . 0 0 "[ . 1 . ]" 1
687 1 19 MET H 1 19 MET HG3 2.900 . 4.000 2.701 1.842 3.571 . 0 0 "[ . 1 . ]" 1
688 1 18 ILE HB 1 19 MET H 2.900 . 3.900 2.797 2.437 3.067 . 0 0 "[ . 1 . ]" 1
689 1 19 MET H 1 20 PRO HD3 3.000 . 4.100 2.802 2.212 3.086 . 0 0 "[ . 1 . ]" 1
690 1 19 MET H 1 20 PRO HD2 2.600 . 3.400 2.589 2.310 2.892 . 0 0 "[ . 1 . ]" 1
691 1 19 MET H 1 19 MET HG2 2.800 . 3.800 2.594 1.898 3.411 . 0 0 "[ . 1 . ]" 1
692 1 18 ILE QG 1 19 MET H 4.200 . 5.400 4.261 4.053 4.419 . 0 0 "[ . 1 . ]" 1
693 1 18 ILE MG 1 19 MET H 4.000 . 6.000 3.137 2.627 3.576 . 0 0 "[ . 1 . ]" 1
694 1 78 VAL H 1 79 HIS H 2.600 . 3.400 2.709 2.548 2.902 . 0 0 "[ . 1 . ]" 1
695 1 77 VAL H 1 79 HIS H 3.600 . 5.200 3.925 3.840 4.080 . 0 0 "[ . 1 . ]" 1
696 1 79 HIS H 1 79 HIS HD2 3.100 . 4.300 3.496 2.926 3.789 . 0 0 "[ . 1 . ]" 1
697 1 79 HIS H 1 80 ALA H 2.800 . 3.800 2.763 2.315 3.229 . 0 0 "[ . 1 . ]" 1
698 1 79 HIS H 1 79 HIS HB2 3.100 . 4.300 2.733 2.493 2.838 . 0 0 "[ . 1 . ]" 1
699 1 79 HIS H 1 80 ALA MB 3.900 . 5.800 4.040 3.772 4.488 . 0 0 "[ . 1 . ]" 1
700 1 78 VAL HB 1 79 HIS H 2.800 . 3.800 3.390 2.751 3.989 0.189 17 0 "[ . 1 . ]" 1
701 1 78 VAL MG2 1 79 HIS H 3.200 . 4.500 4.206 4.035 4.302 . 0 0 "[ . 1 . ]" 1
702 1 78 VAL MG1 1 79 HIS H 3.600 . 5.300 3.642 2.795 3.886 . 0 0 "[ . 1 . ]" 1
703 1 93 ALA HA 1 94 ASN H 3.900 . 5.800 3.446 3.397 3.504 . 0 0 "[ . 1 . ]" 1
704 1 94 ASN H 1 94 ASN HD21 3.600 . 5.200 4.475 2.521 4.780 . 0 0 "[ . 1 . ]" 1
705 1 14 LEU H 1 14 LEU HG 3.000 . 4.100 3.312 2.806 3.867 . 0 0 "[ . 1 . ]" 1
706 1 14 LEU H 1 14 LEU HB2 2.900 . 3.900 2.773 2.683 2.827 . 0 0 "[ . 1 . ]" 1
707 1 14 LEU H 1 14 LEU HB3 3.700 . 5.400 3.843 3.782 3.875 . 0 0 "[ . 1 . ]" 1
708 1 14 LEU H 1 14 LEU MD1 3.900 . 5.800 4.117 2.847 4.436 . 0 0 "[ . 1 . ]" 1
709 1 91 GLY QA 1 94 ASN H 3.700 . 5.400 3.364 3.076 3.524 . 0 0 "[ . 1 . ]" 1
710 1 94 ASN H 1 95 GLU HB2 5.600 . 6.000 4.690 4.225 5.038 . 0 0 "[ . 1 . ]" 1
711 1 94 ASN H 1 97 ILE MD 3.900 . 5.800 4.397 3.828 4.922 . 0 0 "[ . 1 . ]" 1
712 1 93 ALA H 1 94 ASN H 2.900 . 4.000 2.610 2.436 2.685 . 0 0 "[ . 1 . ]" 1
713 1 94 ASN H 1 95 GLU H 2.600 . 3.400 2.504 2.316 2.733 . 0 0 "[ . 1 . ]" 1
714 1 94 ASN H 1 94 ASN HB3 2.900 . 3.900 2.581 2.421 3.512 . 0 0 "[ . 1 . ]" 1
715 1 94 ASN H 1 94 ASN HB2 2.500 . 3.300 2.565 2.217 2.738 . 0 0 "[ . 1 . ]" 1
716 1 93 ALA MB 1 94 ASN H 3.200 . 4.400 2.890 2.704 3.041 . 0 0 "[ . 1 . ]" 1
717 1 17 ASP H 1 18 ILE QG 4.000 . 6.000 4.019 3.679 4.607 . 0 0 "[ . 1 . ]" 1
718 1 17 ASP H 1 18 ILE H 2.400 . 3.100 2.242 1.982 2.582 . 0 0 "[ . 1 . ]" 1
719 1 16 PRO QD 1 17 ASP H . . 4.000 2.684 2.351 2.886 . 0 0 "[ . 1 . ]" 1
720 1 17 ASP H 1 17 ASP HB3 3.000 . 4.200 3.619 2.982 3.730 . 0 0 "[ . 1 . ]" 1
721 1 16 PRO HA 1 17 ASP H 3.500 . 5.100 3.431 3.310 3.529 . 0 0 "[ . 1 . ]" 1
722 1 17 ASP H 1 17 ASP HB2 2.600 . 3.400 2.574 2.412 3.679 0.279 3 0 "[ . 1 . ]" 1
723 1 16 PRO QG 1 17 ASP H 4.000 . 6.000 3.056 2.318 4.064 . 0 0 "[ . 1 . ]" 1
724 1 17 ASP H 1 18 ILE HB 4.300 . 6.000 4.266 4.000 4.625 . 0 0 "[ . 1 . ]" 1
725 1 121 LEU QD 1 122 PHE H 5.600 . 6.000 4.052 2.735 4.339 . 0 0 "[ . 1 . ]" 1
726 1 4 ASP HA 1 5 THR H 3.400 . 4.900 3.535 3.459 3.572 . 0 0 "[ . 1 . ]" 1
727 1 5 THR H 1 5 THR HA 2.400 . 3.100 2.797 2.738 2.912 . 0 0 "[ . 1 . ]" 1
728 1 5 THR H 1 5 THR HB 2.900 . 3.900 2.997 2.189 3.660 . 0 0 "[ . 1 . ]" 1
729 1 5 THR H 1 5 THR HG1 2.900 . 3.900 2.381 2.023 3.215 . 0 0 "[ . 1 . ]" 1
730 1 5 THR H 1 6 VAL MG2 3.700 . 5.400 3.985 3.332 4.371 . 0 0 "[ . 1 . ]" 1
731 1 122 PHE H 1 122 PHE HA 2.900 . 3.900 2.326 2.272 2.878 . 0 0 "[ . 1 . ]" 1
732 1 118 ILE HA 1 122 PHE H 3.400 . 4.800 2.639 1.910 2.828 0.090 11 0 "[ . 1 . ]" 1
733 1 121 LEU H 1 122 PHE H 2.500 . 3.300 2.396 2.235 2.843 . 0 0 "[ . 1 . ]" 1
734 1 121 LEU HA 1 122 PHE H 3.100 . 4.300 3.413 3.380 3.572 . 0 0 "[ . 1 . ]" 1
735 1 122 PHE H 1 122 PHE HB2 3.000 . 4.100 3.480 2.293 4.187 0.087 11 0 "[ . 1 . ]" 1
736 1 122 PHE H 1 122 PHE HB3 2.500 . 3.300 3.306 2.967 3.566 0.266 11 0 "[ . 1 . ]" 1
737 1 121 LEU HB3 1 122 PHE H 2.900 . 4.000 3.260 2.383 3.482 . 0 0 "[ . 1 . ]" 1
738 1 92 ILE MD 1 122 PHE H 4.100 . 6.000 4.327 4.068 4.677 . 0 0 "[ . 1 . ]" 1
739 1 82 ASN QB 1 82 ASN HD22 3.600 . 4.700 3.251 3.203 3.291 . 0 0 "[ . 1 . ]" 1
740 1 64 THR HB 1 104 THR H 4.700 . 6.000 5.668 4.657 6.027 0.027 7 0 "[ . 1 . ]" 1
741 1 104 THR H 1 105 ASP HB2 5.000 . 5.000 4.739 4.125 5.023 0.023 13 0 "[ . 1 . ]" 1
742 1 104 THR H 1 105 ASP HB3 . . 5.000 4.514 3.948 4.818 . 0 0 "[ . 1 . ]" 1
743 1 103 GLU QG 1 104 THR H 4.400 . 6.000 4.093 3.503 4.650 . 0 0 "[ . 1 . ]" 1
744 1 103 GLU QB 1 104 THR H . . 3.600 2.311 1.986 3.238 0.014 3 0 "[ . 1 . ]" 1
745 1 103 GLU H 1 104 THR H 4.600 . 6.000 4.578 4.415 4.640 . 0 0 "[ . 1 . ]" 1
746 1 104 THR H 1 104 THR MG 2.700 . 3.600 2.346 1.830 3.747 0.147 4 0 "[ . 1 . ]" 1
747 1 58 ILE MD 1 59 GLU H 4.300 . 6.000 5.126 4.930 5.270 . 0 0 "[ . 1 . ]" 1
748 1 34 ASN HB2 1 34 ASN HD21 3.500 . 5.000 2.886 2.223 3.512 . 0 0 "[ . 1 . ]" 1
749 1 34 ASN HB3 1 34 ASN HD21 3.500 . 5.100 3.027 2.231 3.499 . 0 0 "[ . 1 . ]" 1
750 1 114 THR H 1 114 THR MG 3.200 . 4.500 2.097 1.870 2.349 0.030 6 0 "[ . 1 . ]" 1
751 1 114 THR H 1 115 ASP H 2.800 . 3.800 2.787 2.329 3.087 . 0 0 "[ . 1 . ]" 1
752 1 114 THR H 1 117 TYR HB2 3.700 . 5.400 4.843 4.344 5.286 . 0 0 "[ . 1 . ]" 1
753 1 113 TYR H 1 114 THR H 2.800 . 3.800 2.701 2.495 2.891 . 0 0 "[ . 1 . ]" 1
754 1 102 GLY H 1 102 GLY HA2 2.600 . 3.500 2.567 2.289 2.904 . 0 0 "[ . 1 . ]" 1
755 1 101 LYS QB 1 102 GLY H 3.200 . 4.400 2.804 1.916 4.044 0.084 8 0 "[ . 1 . ]" 1
756 1 101 LYS HG3 1 102 GLY H 3.900 . 5.800 3.861 2.421 5.014 . 0 0 "[ . 1 . ]" 1
757 1 58 ILE H 1 59 GLU H 2.400 . 3.100 2.698 2.411 2.992 . 0 0 "[ . 1 . ]" 1
758 1 57 ARG HA 1 59 GLU H 3.600 . 5.300 3.821 3.554 4.036 . 0 0 "[ . 1 . ]" 1
759 1 59 GLU H 1 59 GLU HA 2.300 . 3.000 2.272 2.266 2.279 . 0 0 "[ . 1 . ]" 1
760 1 59 GLU H 1 59 GLU HB2 3.200 . 4.400 3.522 3.427 3.958 . 0 0 "[ . 1 . ]" 1
761 1 59 GLU H 1 59 GLU HB3 2.900 . 3.900 4.001 2.973 4.099 0.199 10 0 "[ . 1 . ]" 1
762 1 58 ILE HG12 1 59 GLU H 3.700 . 5.500 4.218 3.914 4.418 . 0 0 "[ . 1 . ]" 1
763 1 48 GLY H 1 111 ASN HD21 3.800 . 5.600 4.488 1.991 5.416 0.009 11 0 "[ . 1 . ]" 1
764 1 47 LEU H 1 48 GLY H 3.100 . 4.300 2.588 2.254 2.891 . 0 0 "[ . 1 . ]" 1
765 1 48 GLY H 1 111 ASN HD22 4.000 . 6.000 5.444 1.955 6.231 0.231 13 0 "[ . 1 . ]" 1
766 1 47 LEU QB 1 48 GLY H 4.400 . 6.000 2.650 2.394 3.252 . 0 0 "[ . 1 . ]" 1
767 1 48 GLY H 1 110 GLY H 5.900 . 6.000 5.991 5.832 6.071 0.071 17 0 "[ . 1 . ]" 1
768 1 47 LEU QB 1 48 GLY H 4.200 . 6.000 2.681 2.399 3.284 . 0 0 "[ . 1 . ]" 1
769 1 48 GLY H 1 48 GLY HA3 3.000 . 4.100 2.308 2.290 2.362 . 0 0 "[ . 1 . ]" 1
770 1 58 ILE H 1 58 ILE HG13 3.000 . 4.100 2.846 2.714 3.002 . 0 0 "[ . 1 . ]" 1
771 1 57 ARG HA 1 58 ILE H 3.400 . 4.800 3.511 3.448 3.560 . 0 0 "[ . 1 . ]" 1
772 1 57 ARG HB3 1 58 ILE H 2.900 . 3.900 2.995 2.460 3.627 . 0 0 "[ . 1 . ]" 1
773 1 57 ARG HB2 1 58 ILE H 3.200 . 4.500 3.453 2.459 4.007 . 0 0 "[ . 1 . ]" 1
774 1 58 ILE H 1 58 ILE HG12 2.500 . 3.300 2.044 1.935 2.150 . 0 0 "[ . 1 . ]" 1
775 1 58 ILE H 1 58 ILE MG 2.800 . 3.800 2.679 2.458 2.871 . 0 0 "[ . 1 . ]" 1
776 1 57 ARG H 1 58 ILE H 2.700 . 3.600 2.547 2.308 2.679 . 0 0 "[ . 1 . ]" 1
777 1 58 ILE H 1 58 ILE HB 3.600 . 5.200 3.702 3.650 3.739 . 0 0 "[ . 1 . ]" 1
778 1 58 ILE H 1 58 ILE MD 4.300 . 6.000 3.721 3.639 3.803 . 0 0 "[ . 1 . ]" 1
779 1 81 GLY H 1 82 ASN H 2.700 . 3.600 3.125 2.794 3.468 . 0 0 "[ . 1 . ]" 1
780 1 80 ALA H 1 81 GLY H 4.300 . 6.000 4.554 4.381 4.590 . 0 0 "[ . 1 . ]" 1
781 1 79 HIS HA 1 81 GLY H 3.500 . 6.000 5.914 5.427 6.018 0.018 9 0 "[ . 1 . ]" 1
782 1 81 GLY H 1 81 GLY HA2 2.500 . 3.300 2.619 2.536 2.736 . 0 0 "[ . 1 . ]" 1
783 1 80 ALA HA 1 81 GLY H 2.200 . 2.800 2.165 2.138 2.186 . 0 0 "[ . 1 . ]" 1
784 1 81 GLY H 1 81 GLY HA3 2.500 . 3.300 2.928 2.870 2.951 . 0 0 "[ . 1 . ]" 1
785 1 80 ALA MB 1 81 GLY H 3.200 . 4.500 3.037 2.910 3.374 . 0 0 "[ . 1 . ]" 1
786 1 81 GLY H 1 86 ILE MD 3.100 . 6.000 4.188 3.729 4.605 . 0 0 "[ . 1 . ]" 1
787 1 40 ASN HA 1 41 GLY H 3.200 . 4.500 3.162 2.883 3.458 . 0 0 "[ . 1 . ]" 1
788 1 90 LYS HA 1 91 GLY H 3.000 . 4.100 3.514 3.469 3.558 . 0 0 "[ . 1 . ]" 1
789 1 90 LYS QB 1 91 GLY H 3.400 . 4.900 2.770 2.490 2.905 . 0 0 "[ . 1 . ]" 1
790 1 91 GLY H 1 91 GLY QA 2.200 . 2.800 2.236 2.214 2.250 . 0 0 "[ . 1 . ]" 1
791 1 89 VAL HA 1 91 GLY H 3.900 . 5.800 4.044 3.838 4.423 . 0 0 "[ . 1 . ]" 1
792 1 91 GLY H 1 92 ILE QG 4.000 . 6.000 3.689 3.542 3.956 . 0 0 "[ . 1 . ]" 1
793 1 91 GLY H 1 92 ILE MD 6.000 . 6.000 4.438 4.100 4.821 . 0 0 "[ . 1 . ]" 1
794 1 107 CYS HA 1 110 GLY H 4.700 . 6.000 3.501 3.000 3.957 . 0 0 "[ . 1 . ]" 1
795 1 110 GLY H 1 110 GLY QA 2.400 . 3.100 2.207 2.192 2.243 . 0 0 "[ . 1 . ]" 1
796 1 109 ILE HB 1 110 GLY H 2.600 . 3.500 2.733 2.288 3.124 . 0 0 "[ . 1 . ]" 1
797 1 109 ILE HG13 1 110 GLY H 4.300 . 6.000 4.475 3.965 4.934 . 0 0 "[ . 1 . ]" 1
798 1 52 ALA MB 1 110 GLY H 3.400 . 4.800 3.871 2.963 4.827 0.027 2 0 "[ . 1 . ]" 1
799 1 109 ILE MG 1 110 GLY H 3.700 . 5.400 3.096 2.535 3.610 . 0 0 "[ . 1 . ]" 1
800 1 30 ASP HA 1 33 THR H 3.300 . 4.700 4.620 4.176 4.731 0.031 16 0 "[ . 1 . ]" 1
801 1 33 THR H 1 33 THR HG1 3.300 . 4.700 2.541 1.909 3.759 . 0 0 "[ . 1 . ]" 1
802 1 96 CYS H 1 98 GLU H 4.800 . 6.000 4.006 3.759 4.444 . 0 0 "[ . 1 . ]" 1
803 1 47 LEU H 1 47 LEU MD2 4.700 . 6.000 3.942 2.167 4.292 . 0 0 "[ . 1 . ]" 1
804 1 47 LEU H 1 47 LEU MD1 3.800 . 5.600 3.876 1.949 4.312 0.051 5 0 "[ . 1 . ]" 1
805 1 47 LEU H 1 47 LEU QB 2.700 . 3.600 2.260 2.082 2.818 . 0 0 "[ . 1 . ]" 1
806 1 47 LEU H 1 51 LYS QB 5.400 . 6.000 5.233 4.424 6.020 0.020 17 0 "[ . 1 . ]" 1
807 1 44 MET QB 1 47 LEU H 4.700 . 6.000 4.673 2.741 5.576 . 0 0 "[ . 1 . ]" 1
808 1 29 GLU QG 1 47 LEU H 3.900 . 6.000 5.236 2.604 5.870 . 0 0 "[ . 1 . ]" 1
809 1 52 ALA HA 1 55 MET H 4.100 . 6.000 3.271 3.004 3.525 . 0 0 "[ . 1 . ]" 1
810 1 55 MET H 1 55 MET HG3 2.500 . 3.300 2.248 1.922 3.500 0.200 9 0 "[ . 1 . ]" 1
811 1 55 MET H 1 55 MET HB2 3.300 . 4.700 2.545 2.415 2.675 . 0 0 "[ . 1 . ]" 1
812 1 73 LYS H 1 73 LYS HG3 3.300 . 4.600 4.149 2.833 4.582 . 0 0 "[ . 1 . ]" 1
813 1 73 LYS H 1 73 LYS HA 2.300 . 2.900 2.883 2.857 2.898 . 0 0 "[ . 1 . ]" 1
814 1 72 TYR HB3 1 73 LYS H 3.200 . 4.500 3.905 3.711 4.054 . 0 0 "[ . 1 . ]" 1
815 1 72 TYR HB2 1 73 LYS H 3.200 . 4.500 3.070 2.866 3.162 . 0 0 "[ . 1 . ]" 1
816 1 73 LYS H 1 73 LYS QB 2.500 . 3.300 2.261 2.096 2.393 . 0 0 "[ . 1 . ]" 1
817 1 72 TYR QD 1 73 LYS H 3.900 . 5.800 4.475 4.385 4.621 . 0 0 "[ . 1 . ]" 1
818 1 71 VAL H 1 73 LYS H 4.300 . 6.000 3.847 3.514 4.151 . 0 0 "[ . 1 . ]" 1
819 1 82 ASN H 1 82 ASN HA 2.900 . 3.900 2.940 2.914 2.950 . 0 0 "[ . 1 . ]" 1
820 1 81 GLY HA2 1 82 ASN H 3.900 . 5.800 3.555 3.526 3.567 . 0 0 "[ . 1 . ]" 1
821 1 81 GLY HA3 1 82 ASN H 3.000 . 4.100 2.494 2.342 2.661 . 0 0 "[ . 1 . ]" 1
822 1 82 ASN H 1 82 ASN QB 2.500 . 3.300 2.481 2.226 2.593 . 0 0 "[ . 1 . ]" 1
823 1 82 ASN H 1 86 ILE HG13 4.300 . 6.000 4.662 4.150 5.142 . 0 0 "[ . 1 . ]" 1
824 1 82 ASN H 1 83 ALA H 4.600 . 6.000 4.457 4.180 4.572 . 0 0 "[ . 1 . ]" 1
825 1 2 ASP HB2 1 5 THR H 3.900 . 5.800 3.120 2.307 4.942 . 0 0 "[ . 1 . ]" 1
826 1 5 THR HB 1 6 VAL H 3.000 . 4.200 3.710 2.565 4.056 . 0 0 "[ . 1 . ]" 1
827 1 89 VAL H 1 90 LYS H 2.400 . 3.100 2.689 2.515 2.829 . 0 0 "[ . 1 . ]" 1
828 1 6 VAL H 1 8 ALA H 4.100 . 6.000 4.165 3.767 4.308 . 0 0 "[ . 1 . ]" 1
829 1 12 GLU H 1 12 GLU HB3 2.200 . 2.800 2.496 2.387 2.593 . 0 0 "[ . 1 . ]" 1
830 1 16 PRO HB2 1 17 ASP H 3.600 . 5.200 3.548 2.885 3.941 . 0 0 "[ . 1 . ]" 1
831 1 76 GLU H 1 78 VAL H 4.700 . 6.000 3.869 3.684 4.122 . 0 0 "[ . 1 . ]" 1
832 1 30 ASP H 1 32 ALA H 4.100 . 5.000 3.446 3.282 3.758 . 0 0 "[ . 1 . ]" 1
833 1 25 LEU H 1 25 LEU MD1 3.300 . 4.700 3.407 1.920 3.983 . 0 0 "[ . 1 . ]" 1
834 1 99 ASN H 1 101 LYS H 3.700 . 5.400 3.961 3.350 4.614 . 0 0 "[ . 1 . ]" 1
835 1 98 GLU H 1 99 ASN H 2.100 . 2.700 2.572 2.316 2.707 0.007 4 0 "[ . 1 . ]" 1
836 1 99 ASN H 1 100 ALA H 2.300 . 3.000 2.330 2.058 2.806 . 0 0 "[ . 1 . ]" 1
837 1 26 HIS H 1 50 LEU QB 5.000 . 6.000 5.523 5.196 5.847 . 0 0 "[ . 1 . ]" 1
838 1 25 LEU H 1 26 HIS H 2.600 . 3.400 2.479 2.076 3.081 . 0 0 "[ . 1 . ]" 1
839 1 27 ILE H 1 28 SER H 4.000 . 6.000 3.861 2.455 4.439 . 0 0 "[ . 1 . ]" 1
840 1 27 ILE HB 1 28 SER H 5.100 . 6.000 3.064 2.147 4.393 . 0 0 "[ . 1 . ]" 1
841 1 28 SER H 1 31 ILE HB 4.300 . 6.000 3.331 2.182 3.904 . 0 0 "[ . 1 . ]" 1
842 1 35 ILE H 1 35 ILE MG 3.700 . 5.400 3.450 2.384 4.001 . 0 0 "[ . 1 . ]" 1
843 1 39 LYS H 1 39 LYS HG2 3.400 . 4.800 3.804 1.821 4.752 0.179 8 0 "[ . 1 . ]" 1
844 1 84 ASP H 1 86 ILE H 3.300 . 4.700 3.976 3.844 4.144 . 0 0 "[ . 1 . ]" 1
845 1 39 LYS HB2 1 40 ASN H 3.800 . 5.600 3.300 1.960 4.414 0.040 13 0 "[ . 1 . ]" 1
846 1 43 ASP H 1 44 MET H 4.000 . 6.000 3.121 1.885 4.541 0.115 7 0 "[ . 1 . ]" 1
847 1 44 MET H 1 45 SER H 3.400 . 4.800 3.015 1.938 4.155 0.062 2 0 "[ . 1 . ]" 1
848 1 45 SER H 1 46 GLN H 3.600 . 5.300 2.763 2.469 3.021 . 0 0 "[ . 1 . ]" 1
849 1 49 CYS H 1 50 LEU H 4.000 . 6.000 2.545 2.302 2.897 . 0 0 "[ . 1 . ]" 1
850 1 51 LYS H 1 52 ALA H 2.400 . 3.100 2.382 2.275 2.552 . 0 0 "[ . 1 . ]" 1
851 1 49 CYS H 1 53 CYS H 3.200 . 6.000 5.301 4.722 6.016 0.016 17 0 "[ . 1 . ]" 1
852 1 54 VAL H 1 54 VAL MG2 2.800 . 6.000 2.065 1.757 3.768 . 0 0 "[ . 1 . ]" 1
853 1 53 CYS H 1 54 VAL H 3.300 . 4.700 2.559 2.280 2.647 . 0 0 "[ . 1 . ]" 1
854 1 55 MET H 1 56 LYS H 3.100 . 4.300 2.703 2.594 2.829 . 0 0 "[ . 1 . ]" 1
855 1 54 VAL H 1 56 LYS H 4.400 . 6.000 4.494 4.021 4.750 . 0 0 "[ . 1 . ]" 1
856 1 62 LYS H 1 64 THR H 4.400 . 6.000 4.187 3.165 4.580 . 0 0 "[ . 1 . ]" 1
857 1 64 THR H 1 64 THR HA 2.300 . 3.000 2.751 2.263 2.941 . 0 0 "[ . 1 . ]" 1
858 1 62 LYS QB 1 65 GLU H 3.800 . 5.600 3.446 3.152 3.886 . 0 0 "[ . 1 . ]" 1
859 1 65 GLU H 1 66 LEU H 4.900 . 6.000 4.293 4.051 4.593 . 0 0 "[ . 1 . ]" 1
860 1 66 LEU H 1 66 LEU HG 2.700 . 3.600 3.344 2.425 3.832 0.232 4 0 "[ . 1 . ]" 1
861 1 62 LYS QB 1 66 LEU H 5.300 . 6.000 5.972 5.500 6.082 0.082 4 0 "[ . 1 . ]" 1
862 1 67 TYR H 1 67 TYR QE 5.800 . 6.000 5.146 4.405 5.601 . 0 0 "[ . 1 . ]" 1
863 1 67 TYR H 1 67 TYR QD 3.000 . 4.100 3.013 2.198 3.598 . 0 0 "[ . 1 . ]" 1
864 1 67 TYR H 1 68 VAL H 4.800 . 6.000 4.426 4.259 4.527 . 0 0 "[ . 1 . ]" 1
865 1 71 VAL MG1 1 74 MET H 6.000 . 6.000 4.465 4.081 4.968 . 0 0 "[ . 1 . ]" 1
866 1 74 MET H 1 76 GLU HB2 4.100 . 6.000 5.255 4.855 5.424 . 0 0 "[ . 1 . ]" 1
867 1 74 MET HA 1 75 ILE H 3.400 . 4.800 3.534 3.499 3.554 . 0 0 "[ . 1 . ]" 1
868 1 90 LYS HG2 1 91 GLY H 6.000 . 6.000 5.044 4.303 5.236 . 0 0 "[ . 1 . ]" 1
869 1 32 ALA MB 1 33 THR H 3.800 . 5.600 2.817 2.232 3.383 . 0 0 "[ . 1 . ]" 1
870 1 89 VAL H 1 91 GLY H 4.800 . 6.000 4.311 3.997 4.645 . 0 0 "[ . 1 . ]" 1
871 1 95 GLU H 1 95 GLU HG2 3.300 . 4.700 4.095 2.086 4.638 . 0 0 "[ . 1 . ]" 1
872 1 104 THR H 1 104 THR HB 3.200 . 4.500 3.260 2.578 3.847 . 0 0 "[ . 1 . ]" 1
873 1 104 THR H 1 105 ASP H 2.000 . 2.500 2.252 1.742 2.508 0.008 6 0 "[ . 1 . ]" 1
874 1 107 CYS H 1 109 ILE HB 3.900 . 5.800 5.462 4.959 5.802 0.002 4 0 "[ . 1 . ]" 1
875 1 107 CYS H 1 109 ILE H 4.200 . 6.000 4.428 4.174 4.903 . 0 0 "[ . 1 . ]" 1
876 1 107 CYS HB2 1 108 ASN H 3.400 . 4.900 2.972 2.472 3.430 . 0 0 "[ . 1 . ]" 1
877 1 107 CYS HA 1 108 ASN H 3.400 . 4.900 3.486 3.363 3.565 . 0 0 "[ . 1 . ]" 1
878 1 121 LEU H 1 123 SER H 3.900 . 5.800 4.013 3.861 4.643 . 0 0 "[ . 1 . ]" 1
879 1 105 ASP HB3 1 108 ASN HD21 3.900 . 5.800 3.355 2.804 4.587 . 0 0 "[ . 1 . ]" 1
880 1 105 ASP HB3 1 108 ASN HD22 4.000 . 6.000 4.180 3.280 5.320 . 0 0 "[ . 1 . ]" 1
881 1 94 ASN HB3 1 94 ASN HD21 3.900 . 5.800 2.862 2.223 3.503 . 0 0 "[ . 1 . ]" 1
882 1 108 ASN HB3 1 108 ASN HD22 3.700 . 5.400 3.595 3.470 3.786 . 0 0 "[ . 1 . ]" 1
883 1 108 ASN HB3 1 108 ASN HD21 2.900 . 4.000 2.497 2.213 2.936 . 0 0 "[ . 1 . ]" 1
884 1 108 ASN HB2 1 108 ASN HD22 3.600 . 5.200 3.724 3.471 4.086 . 0 0 "[ . 1 . ]" 1
885 1 108 ASN HB2 1 108 ASN HD21 3.300 . 4.700 2.780 2.214 3.530 . 0 0 "[ . 1 . ]" 1
886 1 105 ASP HB2 1 108 ASN HD22 4.000 . 6.000 5.140 4.008 6.436 0.436 17 0 "[ . 1 . ]" 1
887 1 40 ASN QB 1 40 ASN HD21 3.300 . 4.700 2.387 2.188 2.778 . 0 0 "[ . 1 . ]" 1
888 1 82 ASN QB 1 82 ASN HD21 2.600 . 3.400 2.184 2.141 2.217 . 0 0 "[ . 1 . ]" 1
889 1 111 ASN QB 1 111 ASN HD21 2.500 . 3.300 2.646 2.254 2.843 . 0 0 "[ . 1 . ]" 1
890 1 48 GLY HA2 1 111 ASN HD21 4.700 . 6.000 5.219 3.833 6.071 0.071 5 0 "[ . 1 . ]" 1
891 1 45 SER HA 1 111 ASN HD21 4.300 . 6.000 4.746 3.136 6.003 0.003 8 0 "[ . 1 . ]" 1
892 1 111 ASN HA 1 111 ASN HD21 4.000 . 6.000 2.128 1.695 2.780 0.305 4 0 "[ . 1 . ]" 1
893 1 36 GLN QE 1 36 GLN HG2 3.700 . 5.400 2.346 2.150 2.755 . 0 0 "[ . 1 . ]" 1
894 1 46 GLN HE21 1 46 GLN QG 3.700 . 5.400 2.291 2.176 2.775 . 0 0 "[ . 1 . ]" 1
895 1 103 GLU QG 1 108 ASN HD21 4.500 . 6.000 3.787 2.724 4.642 . 0 0 "[ . 1 . ]" 1
896 1 3 GLN QB 1 3 GLN HE21 4.600 . 6.000 2.961 1.914 3.994 0.086 9 0 "[ . 1 . ]" 1
897 1 3 GLN HE21 1 3 GLN QG 4.900 . 6.000 2.336 2.158 2.790 . 0 0 "[ . 1 . ]" 1
898 1 3 GLN QB 1 3 GLN HE22 4.000 . 6.000 3.749 3.227 4.348 . 0 0 "[ . 1 . ]" 1
899 1 99 ASN QB 1 99 ASN QD 2.900 . 3.900 2.203 2.155 2.516 . 0 0 "[ . 1 . ]" 1
900 1 3 GLN H 1 5 THR H 6.000 . 6.000 4.510 4.120 4.921 . 0 0 "[ . 1 . ]" 1
901 1 13 TYR H 1 15 MET H 6.000 . 6.000 4.321 3.818 5.125 . 0 0 "[ . 1 . ]" 1
902 1 4 ASP H 1 6 VAL H 4.500 . 6.000 3.973 3.732 4.265 . 0 0 "[ . 1 . ]" 1
903 1 8 ALA H 1 9 LYS H 2.900 . 4.000 2.806 2.496 2.907 . 0 0 "[ . 1 . ]" 1
904 1 7 VAL H 1 11 MET H 3.400 . 6.000 5.949 5.763 6.016 0.016 9 0 "[ . 1 . ]" 1
905 1 25 LEU H 1 27 ILE H 6.000 . 6.000 4.785 4.278 5.537 . 0 0 "[ . 1 . ]" 1
906 1 24 GLU H 1 26 HIS H 5.900 . 6.000 4.171 4.073 4.371 . 0 0 "[ . 1 . ]" 1
907 1 32 ALA H 1 33 THR H 4.300 . 6.000 2.756 2.568 3.040 . 0 0 "[ . 1 . ]" 1
908 1 56 LYS H 1 58 ILE H 6.000 . 6.000 4.384 4.066 4.678 . 0 0 "[ . 1 . ]" 1
909 1 56 LYS H 1 59 GLU H 5.300 . 6.000 5.501 5.209 5.827 . 0 0 "[ . 1 . ]" 1
910 1 68 VAL H 1 71 VAL H 6.000 . 6.000 4.927 4.487 5.591 . 0 0 "[ . 1 . ]" 1
911 1 69 GLU H 1 71 VAL H 6.000 . 6.000 4.054 3.849 4.454 . 0 0 "[ . 1 . ]" 1
912 1 71 VAL H 1 72 TYR QD 4.100 . 6.000 4.723 4.462 5.052 . 0 0 "[ . 1 . ]" 1
913 1 98 GLU H 1 113 TYR QE 5.400 . 6.000 5.675 5.416 5.873 . 0 0 "[ . 1 . ]" 1
914 1 13 TYR QE 1 74 MET H 4.300 . 6.000 4.940 4.560 5.262 . 0 0 "[ . 1 . ]" 1
915 1 77 VAL H 1 80 ALA H 5.000 . 6.000 5.838 5.382 6.010 0.010 16 0 "[ . 1 . ]" 1
916 1 13 TYR QE 1 77 VAL H 4.300 . 6.000 4.661 3.699 5.372 . 0 0 "[ . 1 . ]" 1
917 1 77 VAL H 1 79 HIS HD2 5.400 . 6.000 5.773 5.361 6.033 0.033 11 0 "[ . 1 . ]" 1
918 1 13 TYR QD 1 77 VAL H 4.300 . 6.000 5.967 5.538 6.068 0.068 5 0 "[ . 1 . ]" 1
919 1 74 MET H 1 77 VAL H 2.900 . 6.000 5.543 5.348 5.686 . 0 0 "[ . 1 . ]" 1
920 1 13 TYR QE 1 78 VAL H 6.000 . 6.000 4.308 2.765 5.312 . 0 0 "[ . 1 . ]" 1
921 1 73 LYS H 1 75 ILE H 5.000 . 6.000 3.957 3.770 4.191 . 0 0 "[ . 1 . ]" 1
922 1 80 ALA H 1 82 ASN H 5.200 . 6.000 5.809 5.388 6.012 0.012 16 0 "[ . 1 . ]" 1
923 1 65 GLU H 1 67 TYR QE 5.700 . 6.000 4.734 4.374 5.545 . 0 0 "[ . 1 . ]" 1
924 1 82 ASN HD22 1 85 ASP H 5.000 . 6.000 5.806 3.946 6.032 0.032 11 0 "[ . 1 . ]" 1
925 1 84 ASP H 1 88 LEU H 6.000 . 6.000 6.011 5.917 6.038 0.038 12 0 "[ . 1 . ]" 1
926 1 88 LEU H 1 90 LYS H 4.300 . 6.000 3.729 3.630 3.975 . 0 0 "[ . 1 . ]" 1
927 1 91 GLY H 1 94 ASN H 5.300 . 6.000 5.119 4.839 5.318 . 0 0 "[ . 1 . ]" 1
928 1 93 ALA H 1 95 GLU H 4.900 . 6.000 4.264 4.046 4.689 . 0 0 "[ . 1 . ]" 1
929 1 96 CYS H 1 99 ASN H 5.600 . 6.000 4.985 4.624 5.253 . 0 0 "[ . 1 . ]" 1
930 1 96 CYS H 1 113 TYR QD 6.000 . 6.000 5.478 4.943 5.872 . 0 0 "[ . 1 . ]" 1
931 1 100 ALA H 1 113 TYR QD 4.500 . 6.000 4.484 3.881 5.097 . 0 0 "[ . 1 . ]" 1
932 1 99 ASN H 1 99 ASN QD 4.900 . 6.000 2.989 2.064 4.295 . 0 0 "[ . 1 . ]" 1
933 1 99 ASN QD 1 101 LYS H 5.500 . 6.000 5.100 4.426 5.736 . 0 0 "[ . 1 . ]" 1
934 1 100 ALA H 1 113 TYR QE 6.000 . 6.000 5.735 5.192 6.057 0.057 7 0 "[ . 1 . ]" 1
935 1 106 GLU H 1 108 ASN H 5.800 . 6.000 3.991 3.791 4.503 . 0 0 "[ . 1 . ]" 1
936 1 107 CYS H 1 111 ASN H 5.500 . 6.000 6.011 5.819 6.197 0.197 17 0 "[ . 1 . ]" 1
937 1 10 TYR QD 1 13 TYR H 6.000 . 6.000 5.821 5.253 6.096 0.096 11 0 "[ . 1 . ]" 1
938 1 108 ASN H 1 110 GLY H 5.400 . 6.000 4.018 3.692 4.363 . 0 0 "[ . 1 . ]" 1
939 1 113 TYR H 1 116 CYS H 6.000 . 6.000 5.211 4.864 5.483 . 0 0 "[ . 1 . ]" 1
940 1 111 ASN H 1 113 TYR H 4.100 . 6.000 4.088 3.814 4.388 . 0 0 "[ . 1 . ]" 1
941 1 118 ILE H 1 121 LEU H 4.900 . 6.000 4.967 4.772 5.340 . 0 0 "[ . 1 . ]" 1
942 1 119 GLU H 1 121 LEU H 4.700 . 6.000 4.217 3.898 4.471 . 0 0 "[ . 1 . ]" 1
943 1 120 LYS H 1 123 SER H 6.000 . 6.000 5.917 5.633 6.064 0.064 16 0 "[ . 1 . ]" 1
944 1 3 GLN QB 1 4 ASP H 2.500 . 3.300 3.234 2.901 3.431 0.131 1 0 "[ . 1 . ]" 1
945 1 3 GLN QB 1 5 THR H 5.100 . 6.000 5.112 4.727 5.509 . 0 0 "[ . 1 . ]" 1
946 1 5 THR H 1 7 VAL HB 6.000 . 6.000 5.993 5.824 6.046 0.046 8 0 "[ . 1 . ]" 1
947 1 5 THR HA 1 6 VAL H 2.600 . 3.400 3.464 3.401 3.518 0.118 12 0 "[ . 1 . ]" 1
948 1 5 THR HA 1 79 HIS H 5.000 . 6.000 6.312 6.064 9.497 3.497 1 1 "[+ . 1 . ]" 1
949 1 76 GLU HA 1 79 HIS H 4.600 . 6.000 4.418 4.246 4.626 . 0 0 "[ . 1 . ]" 1
950 1 16 PRO HA 1 18 ILE H 3.700 . 5.400 3.948 3.629 4.156 . 0 0 "[ . 1 . ]" 1
951 1 38 ALA H 1 41 GLY HA3 4.700 . 6.000 5.475 3.853 6.630 0.630 5 4 "[ * *+ - 1 . ]" 1
952 1 40 ASN H 1 41 GLY H 3.000 . 4.100 2.157 1.826 3.153 0.074 12 0 "[ . 1 . ]" 1
953 1 48 GLY HA3 1 111 ASN HD21 6.000 . 6.000 4.484 2.550 5.281 . 0 0 "[ . 1 . ]" 1
954 1 91 GLY HA2 1 94 ASN HD21 4.100 . 6.000 4.651 2.185 5.689 . 0 0 "[ . 1 . ]" 1
955 1 91 GLY QA 1 94 ASN HD22 4.900 . 6.000 5.681 3.422 6.022 0.022 6 0 "[ . 1 . ]" 1
956 1 7 VAL MG1 1 9 LYS H 5.600 . 6.000 4.725 4.636 5.050 . 0 0 "[ . 1 . ]" 1
957 1 12 GLU H 1 13 TYR HB3 6.000 . 6.000 5.192 4.868 5.455 . 0 0 "[ . 1 . ]" 1
958 1 14 LEU HB3 1 15 MET H 5.300 . 6.000 4.402 4.326 4.474 . 0 0 "[ . 1 . ]" 1
959 1 120 LYS H 1 120 LYS QG 2.700 . 3.600 2.692 2.092 3.405 . 0 0 "[ . 1 . ]" 1
960 1 92 ILE QG 1 120 LYS H 5.400 . 6.000 5.690 5.170 5.794 . 0 0 "[ . 1 . ]" 1
961 1 26 HIS H 1 50 LEU QD 5.900 . 6.000 3.386 2.172 4.529 . 0 0 "[ . 1 . ]" 1
962 1 30 ASP H 1 30 ASP HB2 2.800 . 3.800 2.724 2.422 3.637 . 0 0 "[ . 1 . ]" 1
963 1 31 ILE H 1 31 ILE MD 3.900 . 5.800 3.182 2.871 3.431 . 0 0 "[ . 1 . ]" 1
964 1 31 ILE H 1 31 ILE HB 2.700 . 3.600 2.628 2.563 2.704 . 0 0 "[ . 1 . ]" 1
965 1 33 THR HA 1 35 ILE H 5.000 . 6.000 4.356 2.924 6.034 0.034 5 0 "[ . 1 . ]" 1
966 1 36 GLN HB3 1 37 ALA H 2.800 . 3.800 3.454 2.015 4.328 0.528 16 2 "[ . - 1 .+ ]" 1
967 1 40 ASN QB 1 41 GLY H 6.000 . 6.000 3.796 3.429 4.040 . 0 0 "[ . 1 . ]" 1
968 1 43 ASP HB3 1 44 MET H 5.800 . 6.000 3.385 2.466 4.452 . 0 0 "[ . 1 . ]" 1
969 1 49 CYS H 1 49 CYS HB2 3.200 . 4.500 2.754 2.085 3.694 . 0 0 "[ . 1 . ]" 1
970 1 54 VAL MG1 1 55 MET H 6.000 . 6.000 3.730 2.473 4.002 . 0 0 "[ . 1 . ]" 1
971 1 105 ASP HB3 1 109 ILE H 5.900 . 6.000 4.122 3.322 4.347 . 0 0 "[ . 1 . ]" 1
972 1 61 LEU H 1 65 GLU QB 5.500 . 6.000 5.763 5.665 5.851 . 0 0 "[ . 1 . ]" 1
973 1 62 LYS H 1 62 LYS QD 4.900 . 6.000 4.231 2.147 4.776 . 0 0 "[ . 1 . ]" 1
974 1 61 LEU H 1 62 LYS QE 5.600 . 6.000 4.055 2.006 5.618 . 0 0 "[ . 1 . ]" 1
975 1 73 LYS H 1 73 LYS QD 4.100 . 6.000 4.233 3.893 4.523 . 0 0 "[ . 1 . ]" 1
976 1 117 TYR HA 1 120 LYS H 3.500 . 5.000 4.031 3.853 4.291 . 0 0 "[ . 1 . ]" 1
977 1 71 VAL HB 1 74 MET H 6.000 . 6.000 5.397 4.778 5.668 . 0 0 "[ . 1 . ]" 1
978 1 74 MET H 1 75 ILE HA 5.500 . 6.000 5.114 4.997 5.206 . 0 0 "[ . 1 . ]" 1
979 1 76 GLU H 1 77 VAL HA 6.000 . 6.000 5.434 5.353 5.503 . 0 0 "[ . 1 . ]" 1
980 1 77 VAL H 1 78 VAL MG2 3.900 . 5.800 3.994 3.744 5.527 . 0 0 "[ . 1 . ]" 1
981 1 77 VAL HA 1 80 ALA H 3.600 . 5.200 3.907 3.442 4.212 . 0 0 "[ . 1 . ]" 1
982 1 85 ASP H 1 86 ILE MD 4.600 . 6.000 5.014 4.794 5.196 . 0 0 "[ . 1 . ]" 1
983 1 79 HIS HB2 1 85 ASP H 6.000 . 6.000 6.323 5.923 6.942 0.942 11 7 "[* **. 1+- *.* ]" 1
984 1 86 ILE H 1 90 LYS QD 3.200 . 6.000 5.606 5.306 5.897 . 0 0 "[ . 1 . ]" 1
985 1 84 ASP HB2 1 86 ILE H 3.700 . 5.500 5.029 4.851 5.226 . 0 0 "[ . 1 . ]" 1
986 1 88 LEU HA 1 90 LYS H 4.700 . 6.000 4.253 3.980 4.613 . 0 0 "[ . 1 . ]" 1
987 1 89 VAL QG 1 92 ILE H 4.300 . 6.000 3.990 3.824 4.259 . 0 0 "[ . 1 . ]" 1
988 1 90 LYS QB 1 93 ALA H 5.000 . 6.000 5.217 5.150 5.322 . 0 0 "[ . 1 . ]" 1
989 1 93 ALA H 1 120 LYS HB2 6.000 . 6.000 5.865 5.555 6.078 0.078 3 0 "[ . 1 . ]" 1
990 1 75 ILE H 1 90 LYS QD 6.000 . 6.000 5.561 4.718 5.843 . 0 0 "[ . 1 . ]" 1
991 1 73 LYS HA 1 75 ILE H 5.900 . 6.000 4.626 4.378 4.774 . 0 0 "[ . 1 . ]" 1
992 1 92 ILE MD 1 94 ASN H 6.000 . 6.000 4.424 4.274 4.645 . 0 0 "[ . 1 . ]" 1
993 1 96 CYS H 1 120 LYS HB2 5.200 . 6.000 5.510 4.857 6.039 0.039 14 0 "[ . 1 . ]" 1
994 1 92 ILE HB 1 95 GLU H 6.000 . 6.000 5.506 5.254 5.833 . 0 0 "[ . 1 . ]" 1
995 1 94 ASN H 1 95 GLU HB3 6.000 . 6.000 5.203 4.626 6.036 0.036 11 0 "[ . 1 . ]" 1
996 1 109 ILE HG12 1 110 GLY H 6.000 . 6.000 5.016 4.839 5.173 . 0 0 "[ . 1 . ]" 1
997 1 109 ILE HA 1 110 GLY H 5.000 . 6.000 3.531 3.486 3.572 . 0 0 "[ . 1 . ]" 1
998 1 108 ASN HA 1 110 GLY H 6.000 . 6.000 4.405 4.046 4.916 . 0 0 "[ . 1 . ]" 1
999 1 113 TYR H 1 114 THR MG 6.000 . 6.000 3.736 3.421 4.100 . 0 0 "[ . 1 . ]" 1
1000 1 113 TYR HA 1 114 THR H 4.500 . 6.000 3.561 3.471 3.581 . 0 0 "[ . 1 . ]" 1
1001 1 113 TYR HA 1 117 TYR H 4.300 . 6.000 4.578 4.199 5.118 . 0 0 "[ . 1 . ]" 1
1002 1 118 ILE HG12 1 119 GLU H 6.000 . 6.000 4.766 4.166 5.374 . 0 0 "[ . 1 . ]" 1
1003 1 121 LEU HA 1 123 SER H 5.200 . 6.000 3.910 3.517 4.712 . 0 0 "[ . 1 . ]" 1
1004 1 82 ASN HA 1 82 ASN HD21 4.100 . 6.000 3.483 2.856 4.343 . 0 0 "[ . 1 . ]" 1
1005 1 82 ASN HD21 1 85 ASP H 5.100 . 6.000 4.533 2.860 5.205 . 0 0 "[ . 1 . ]" 1
1006 1 94 ASN HD21 1 95 GLU H 5.400 . 6.000 5.003 3.779 5.741 . 0 0 "[ . 1 . ]" 1
1007 1 1 ILE MD 1 6 VAL H 5.000 . 6.000 5.070 4.003 5.998 . 0 0 "[ . 1 . ]" 1
1008 1 13 TYR QD 1 78 VAL H 6.000 . 6.000 4.759 3.714 5.373 . 0 0 "[ . 1 . ]" 1
1009 1 10 TYR QD 1 11 MET H 5.900 . 6.000 4.689 4.413 4.766 . 0 0 "[ . 1 . ]" 1
1010 1 47 LEU MD2 1 48 GLY H 5.600 . 6.000 4.276 3.421 5.278 . 0 0 "[ . 1 . ]" 1
1011 1 103 GLU HG3 1 108 ASN HD22 5.000 . 6.000 4.441 2.360 6.649 0.649 3 1 "[ + . 1 . ]" 1
1012 1 103 GLU QB 1 108 ASN HD21 5.600 . 6.000 3.581 1.998 4.828 . 0 0 "[ . 1 . ]" 1
1013 1 99 ASN QD 1 112 LYS HB2 4.600 . 6.000 3.601 1.948 4.515 . 0 0 "[ . 1 . ]" 1
1014 1 99 ASN QD 1 112 LYS HB2 6.000 . 6.000 3.902 2.893 4.830 . 0 0 "[ . 1 . ]" 1
1015 1 96 CYS QB 1 99 ASN QD 6.000 . 6.000 3.676 2.643 5.430 . 0 0 "[ . 1 . ]" 1
1016 1 45 SER HA 1 111 ASN HD22 4.600 . 6.000 4.749 1.968 6.039 0.039 8 0 "[ . 1 . ]" 1
1017 1 5 THR H 1 6 VAL HB 4.700 . 6.000 4.964 4.451 5.219 . 0 0 "[ . 1 . ]" 1
1018 1 7 VAL H 1 122 PHE HZ 5.300 . 6.000 5.583 4.387 6.034 0.034 2 0 "[ . 1 . ]" 1
1019 1 72 TYR QD 1 90 LYS H 4.900 . 6.000 5.635 4.589 6.030 0.030 7 0 "[ . 1 . ]" 1
1020 1 4 ASP H 1 122 PHE QE 6.000 . 6.000 5.949 5.330 6.095 0.095 6 0 "[ . 1 . ]" 1
1021 1 3 GLN HE21 1 4 ASP H 5.000 . 6.000 5.014 4.141 6.183 0.183 5 0 "[ . 1 . ]" 1
1022 1 105 ASP H 1 109 ILE MD 5.600 . 6.000 4.378 3.532 5.204 . 0 0 "[ . 1 . ]" 1
1023 1 42 ALA H 1 47 LEU MD1 6.000 . 6.000 4.820 3.317 6.490 0.490 3 0 "[ . 1 . ]" 1
1024 1 52 ALA H 1 54 VAL H 6.000 . 6.000 4.308 4.057 4.482 . 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 850
_Distance_constraint_stats_list.Viol_count 685
_Distance_constraint_stats_list.Viol_total 1480.127
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.1271
_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 1 ILE 0.124 0.028 9 0 "[ . 1 . ]"
1 2 ASP 1.131 0.644 14 1 "[ . 1 +. ]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 4 ASP 0.074 0.035 16 0 "[ . 1 . ]"
1 5 THR 1.191 0.644 14 1 "[ . 1 +. ]"
1 6 VAL 0.034 0.034 17 0 "[ . 1 . ]"
1 7 VAL 0.020 0.019 4 0 "[ . 1 . ]"
1 8 ALA 1.096 0.388 17 0 "[ . 1 . ]"
1 9 LYS 2.892 0.444 17 0 "[ . 1 . ]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 11 MET 7.204 0.873 4 7 "[ +* * * *- . *]"
1 12 GLU 2.394 0.717 6 1 "[ .+ 1 . ]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 14 LEU 6.189 0.873 4 7 "[ +* * * *- . *]"
1 15 MET 0.745 0.191 11 0 "[ . 1 . ]"
1 16 PRO 2.095 0.717 6 1 "[ .+ 1 . ]"
1 17 ASP 0.516 0.230 10 0 "[ . 1 . ]"
1 18 ILE 0.017 0.017 3 0 "[ . 1 . ]"
1 19 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PRO 1.147 0.251 17 0 "[ . 1 . ]"
1 21 CYS 0.123 0.039 4 0 "[ . 1 . ]"
1 22 ALA 0.944 0.102 2 0 "[ . 1 . ]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLU 0.463 0.341 10 0 "[ . 1 . ]"
1 25 LEU 2.736 0.776 8 1 "[ . + 1 . ]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 ILE 2.285 0.413 1 0 "[ . 1 . ]"
1 28 SER 0.117 0.065 14 0 "[ . 1 . ]"
1 29 GLU 1.149 0.464 11 0 "[ . 1 . ]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 32 ALA 2.345 0.464 11 0 "[ . 1 . ]"
1 33 THR 0.043 0.034 5 0 "[ . 1 . ]"
1 36 GLN 0.070 0.034 5 0 "[ . 1 . ]"
1 39 LYS 0.093 0.032 8 0 "[ . 1 . ]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 42 ALA 1.158 0.297 17 0 "[ . 1 . ]"
1 43 ASP 3.071 0.227 15 0 "[ . 1 . ]"
1 44 MET 0.376 0.081 13 0 "[ . 1 . ]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 46 GLN 1.986 0.413 1 0 "[ . 1 . ]"
1 47 LEU 3.056 0.327 3 0 "[ . 1 . ]"
1 48 GLY 0.889 0.119 17 0 "[ . 1 . ]"
1 49 CYS 3.536 0.776 8 1 "[ . + 1 . ]"
1 50 LEU 0.592 0.148 13 0 "[ . 1 . ]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 52 ALA 1.505 0.377 8 0 "[ . 1 . ]"
1 53 CYS 0.208 0.075 8 0 "[ . 1 . ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 55 MET 3.830 0.758 11 3 "[ . * 1+ -. ]"
1 56 LYS 4.605 0.758 11 3 "[ . * 1+ -. ]"
1 57 ARG 1.185 0.251 17 0 "[ . 1 . ]"
1 58 ILE 0.727 0.363 11 0 "[ . 1 . ]"
1 59 GLU 0.125 0.043 9 0 "[ . 1 . ]"
1 60 MET 1.119 0.387 3 0 "[ . 1 . ]"
1 61 LEU 1.477 0.256 17 0 "[ . 1 . ]"
1 62 LYS 1.069 0.399 14 0 "[ . 1 . ]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 64 THR 0.042 0.022 10 0 "[ . 1 . ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 66 LEU 2.150 0.452 1 0 "[ . 1 . ]"
1 67 TYR 0.008 0.008 7 0 "[ . 1 . ]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 69 GLU 0.120 0.073 17 0 "[ . 1 . ]"
1 70 PRO 0.952 0.363 11 0 "[ . 1 . ]"
1 71 VAL 0.469 0.114 1 0 "[ . 1 . ]"
1 72 TYR 0.750 0.686 6 1 "[ .+ 1 . ]"
1 73 LYS 0.852 0.345 15 0 "[ . 1 . ]"
1 74 MET 0.471 0.114 1 0 "[ . 1 . ]"
1 75 ILE 1.449 0.285 9 0 "[ . 1 . ]"
1 76 GLU 3.003 0.781 10 2 "[ - + . ]"
1 77 VAL 0.001 0.001 14 0 "[ . 1 . ]"
1 78 VAL 0.444 0.444 17 0 "[ . 1 . ]"
1 79 HIS 0.111 0.028 9 0 "[ . 1 . ]"
1 80 ALA 0.001 0.001 6 0 "[ . 1 . ]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 82 ASN 2.323 0.333 7 0 "[ . 1 . ]"
1 83 ALA 0.717 0.054 3 0 "[ . 1 . ]"
1 84 ASP 6.486 0.993 6 5 "[ -.+ 1* .**]"
1 85 ASP 2.491 0.333 7 0 "[ . 1 . ]"
1 86 ILE 0.912 0.141 9 0 "[ . 1 . ]"
1 87 GLN 7.965 0.993 6 5 "[ -.+ 1* .**]"
1 88 LEU 0.763 0.051 9 0 "[ . 1 . ]"
1 89 VAL 1.590 0.285 9 0 "[ . 1 . ]"
1 90 LYS 4.451 0.781 10 3 "[ -* + . ]"
1 91 GLY 0.819 0.324 15 0 "[ . 1 . ]"
1 92 ILE 3.968 0.940 3 4 "[* + . - 1* . ]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 94 ASN 1.096 0.324 15 0 "[ . 1 . ]"
1 95 GLU 4.667 0.940 3 3 "[ + . * 1- . ]"
1 96 CYS 0.260 0.061 4 0 "[ . 1 . ]"
1 97 ILE 1.065 0.452 1 0 "[ . 1 . ]"
1 98 GLU 0.268 0.268 13 0 "[ . 1 . ]"
1 99 ASN 0.250 0.061 4 0 "[ . 1 . ]"
1 100 ALA 1.767 0.301 17 0 "[ . 1 . ]"
1 101 LYS 6.965 0.877 11 7 "[ * . **+ -*.* ]"
1 103 GLU 1.260 0.400 5 0 "[ . 1 . ]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 105 ASP 0.243 0.199 3 0 "[ . 1 . ]"
1 106 GLU 0.426 0.377 8 0 "[ . 1 . ]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 108 ASN 0.260 0.199 3 0 "[ . 1 . ]"
1 109 ILE 1.572 0.262 11 0 "[ . 1 . ]"
1 110 GLY 0.037 0.037 9 0 "[ . 1 . ]"
1 111 ASN 0.251 0.119 17 0 "[ . 1 . ]"
1 112 LYS 4.227 0.568 17 4 "[ * . 1- .*+]"
1 113 TYR 0.206 0.075 6 0 "[ . 1 . ]"
1 114 THR 1.175 0.119 7 0 "[ . 1 . ]"
1 115 ASP 0.099 0.032 8 0 "[ . 1 . ]"
1 116 CYS 0.072 0.029 16 0 "[ . 1 . ]"
1 117 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 118 ILE 0.006 0.006 16 0 "[ . 1 . ]"
1 119 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 120 LYS 6.623 0.866 8 4 "[- . *+ 1 *. ]"
1 121 LEU 2.869 0.617 11 3 "[ * 1+ .- ]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 123 SER 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 2 ASP HB2 1 5 THR HB 3.400 . 4.800 4.138 2.745 5.444 0.644 14 1 "[ . 1 +. ]" 2
2 1 2 ASP HB3 1 5 THR HB 4.900 . 6.000 5.134 3.628 6.016 0.016 17 0 "[ . 1 . ]" 2
3 1 64 THR HA 1 64 THR HB 2.600 . 3.400 2.431 2.327 2.534 . 0 0 "[ . 1 . ]" 2
4 1 64 THR HB 1 109 ILE MD 3.000 . 4.200 2.317 1.859 3.214 . 0 0 "[ . 1 . ]" 2
5 1 52 ALA HA 1 114 THR HB 3.400 . 6.000 5.928 5.161 6.093 0.093 14 0 "[ . 1 . ]" 2
6 1 7 VAL HA 1 10 TYR HB2 3.300 . 4.600 3.251 3.013 3.600 . 0 0 "[ . 1 . ]" 2
7 1 7 VAL HA 1 10 TYR HB3 6.000 . 6.000 4.706 4.416 5.041 . 0 0 "[ . 1 . ]" 2
8 1 51 LYS HB3 1 114 THR HB 4.600 . 6.000 4.378 3.797 4.880 . 0 0 "[ . 1 . ]" 2
9 1 7 VAL HA 1 7 VAL MG1 3.000 . 4.100 2.366 2.328 2.399 . 0 0 "[ . 1 . ]" 2
10 1 17 ASP QB 1 54 VAL HA 4.200 . 6.000 4.182 2.880 5.335 . 0 0 "[ . 1 . ]" 2
11 1 54 VAL HA 1 57 ARG HB3 3.200 . 4.500 2.560 1.928 3.410 . 0 0 "[ . 1 . ]" 2
12 1 54 VAL HA 1 57 ARG HB2 2.700 . 3.600 2.768 2.306 3.447 . 0 0 "[ . 1 . ]" 2
13 1 109 ILE HA 1 109 ILE HG13 2.800 . 3.800 2.768 2.462 3.002 . 0 0 "[ . 1 . ]" 2
14 1 54 VAL HA 1 54 VAL QG 2.400 . 3.100 2.133 2.114 2.237 . 0 0 "[ . 1 . ]" 2
15 1 109 ILE HA 1 109 ILE MG 2.500 . 3.300 2.568 2.337 2.865 . 0 0 "[ . 1 . ]" 2
16 1 78 VAL HA 1 78 VAL MG2 2.700 . 3.600 2.252 2.071 2.308 . 0 0 "[ . 1 . ]" 2
17 1 6 VAL HA 1 6 VAL HB 2.700 . 3.600 3.020 3.016 3.023 . 0 0 "[ . 1 . ]" 2
18 1 86 ILE HA 1 86 ILE HG13 3.200 . 4.500 2.925 2.830 3.049 . 0 0 "[ . 1 . ]" 2
19 1 86 ILE HA 1 86 ILE HB 2.900 . 3.900 3.029 3.024 3.033 . 0 0 "[ . 1 . ]" 2
20 1 6 VAL HA 1 9 LYS HB3 3.500 . 6.000 4.900 4.287 5.222 . 0 0 "[ . 1 . ]" 2
21 1 6 VAL HA 1 6 VAL MG2 2.500 . 3.300 2.390 2.332 2.449 . 0 0 "[ . 1 . ]" 2
22 1 86 ILE HA 1 90 LYS QD 2.800 . 6.000 4.026 3.492 4.461 . 0 0 "[ . 1 . ]" 2
23 1 86 ILE HA 1 86 ILE HG12 2.600 . 3.400 2.605 2.548 2.705 . 0 0 "[ . 1 . ]" 2
24 1 86 ILE HA 1 89 VAL QG 4.000 . 6.000 3.066 1.859 3.679 0.141 9 0 "[ . 1 . ]" 2
25 1 75 ILE HA 1 75 ILE HG13 2.900 . 3.900 2.902 2.739 3.008 . 0 0 "[ . 1 . ]" 2
26 1 75 ILE HA 1 75 ILE HG12 2.500 . 3.300 2.570 2.381 2.670 . 0 0 "[ . 1 . ]" 2
27 1 75 ILE HA 1 75 ILE MD 2.700 . 3.600 2.421 2.349 2.591 . 0 0 "[ . 1 . ]" 2
28 1 20 PRO HA 1 23 ASP QB 3.400 . 4.900 3.636 2.847 4.297 . 0 0 "[ . 1 . ]" 2
29 1 20 PRO HA 1 20 PRO HB3 2.600 . 3.400 2.312 2.275 2.331 . 0 0 "[ . 1 . ]" 2
30 1 18 ILE HA 1 18 ILE QG 2.300 . 3.000 2.151 2.117 2.303 . 0 0 "[ . 1 . ]" 2
31 1 92 ILE HA 1 95 GLU HB3 3.100 . 4.300 3.989 2.892 5.240 0.940 3 2 "[ + . 1- . ]" 2
32 1 92 ILE HA 1 92 ILE QG 3.000 . 3.900 2.784 2.294 3.081 . 0 0 "[ . 1 . ]" 2
33 1 92 ILE HA 1 120 LYS HB2 4.200 . 6.000 3.532 2.985 4.001 . 0 0 "[ . 1 . ]" 2
34 1 77 VAL HA 1 80 ALA MB 2.700 . 6.000 2.922 2.452 3.346 . 0 0 "[ . 1 . ]" 2
35 1 77 VAL HA 1 77 VAL MG2 2.400 . 3.100 2.439 2.392 2.465 . 0 0 "[ . 1 . ]" 2
36 1 71 VAL HA 1 74 MET HG3 3.300 . 4.700 2.735 1.896 3.404 0.004 14 0 "[ . 1 . ]" 2
37 1 16 PRO HA 1 16 PRO HB3 2.700 . 3.600 2.295 2.274 2.315 . 0 0 "[ . 1 . ]" 2
38 1 97 ILE HA 1 97 ILE HG13 3.200 . 4.500 2.924 2.305 3.108 . 0 0 "[ . 1 . ]" 2
39 1 71 VAL HA 1 74 MET HG2 3.900 . 5.800 2.419 1.886 3.860 0.114 1 0 "[ . 1 . ]" 2
40 1 71 VAL HA 1 71 VAL MG2 3.300 . 4.600 2.468 2.169 3.199 . 0 0 "[ . 1 . ]" 2
41 1 71 VAL HA 1 71 VAL MG1 3.100 . 4.300 2.476 2.269 3.197 . 0 0 "[ . 1 . ]" 2
42 1 97 ILE HA 1 97 ILE MG 2.900 . 3.900 2.397 2.328 2.558 . 0 0 "[ . 1 . ]" 2
43 1 123 SER HA 1 123 SER HB2 2.900 . 3.900 2.580 2.410 3.028 . 0 0 "[ . 1 . ]" 2
44 1 5 THR HA 1 5 THR MG 2.800 . 3.800 2.644 2.297 3.208 . 0 0 "[ . 1 . ]" 2
45 1 28 SER HA 1 28 SER QB 2.500 . 3.000 2.226 2.168 2.334 . 0 0 "[ . 1 . ]" 2
46 1 28 SER QB 1 51 LYS HA 1.900 . 6.000 5.736 5.439 5.878 . 0 0 "[ . 1 . ]" 2
47 1 28 SER QB 1 31 ILE HB 4.900 . 6.000 4.450 2.936 5.295 . 0 0 "[ . 1 . ]" 2
48 1 113 TYR HA 1 116 CYS HB2 4.200 . 6.000 5.230 4.701 5.890 . 0 0 "[ . 1 . ]" 2
49 1 45 SER HA 1 45 SER QB 2.400 . 3.100 2.320 2.185 2.386 . 0 0 "[ . 1 . ]" 2
50 1 68 VAL HA 1 71 VAL MG1 3.700 . 5.400 3.844 2.044 4.858 . 0 0 "[ . 1 . ]" 2
51 1 68 VAL HA 1 68 VAL QG 2.700 . 3.600 2.225 2.086 2.317 . 0 0 "[ . 1 . ]" 2
52 1 31 ILE HA 1 31 ILE HB 2.800 . 3.800 3.020 3.013 3.025 . 0 0 "[ . 1 . ]" 2
53 1 31 ILE HA 1 31 ILE HG13 3.500 . 5.000 3.387 3.047 3.815 . 0 0 "[ . 1 . ]" 2
54 1 31 ILE HA 1 31 ILE MD 2.800 . 3.800 2.155 1.943 2.325 . 0 0 "[ . 1 . ]" 2
55 1 33 THR HA 1 33 THR HB 3.000 . 4.200 2.588 2.226 3.026 . 0 0 "[ . 1 . ]" 2
56 1 33 THR HA 1 36 GLN HB2 4.100 . 6.000 5.025 3.124 6.034 0.034 5 0 "[ . 1 . ]" 2
57 1 33 THR HA 1 33 THR MG 3.100 . 4.300 2.849 2.287 3.213 . 0 0 "[ . 1 . ]" 2
58 1 104 THR HA 1 104 THR MG 2.800 . 3.800 2.749 2.315 3.210 . 0 0 "[ . 1 . ]" 2
59 1 64 THR MG 1 104 THR HA 3.100 . 4.300 3.188 2.262 3.911 . 0 0 "[ . 1 . ]" 2
60 1 58 ILE HA 1 58 ILE HB 2.400 . 3.100 2.476 2.433 2.520 . 0 0 "[ . 1 . ]" 2
61 1 75 ILE HG13 1 90 LYS HA 4.700 . 6.000 5.230 4.737 5.797 . 0 0 "[ . 1 . ]" 2
62 1 90 LYS HA 1 90 LYS QB 2.400 . 3.100 2.516 2.251 2.538 . 0 0 "[ . 1 . ]" 2
63 1 58 ILE HA 1 58 ILE HG13 4.000 . 6.000 3.695 3.669 3.727 . 0 0 "[ . 1 . ]" 2
64 1 75 ILE MD 1 90 LYS HA 2.400 . 3.100 2.435 2.019 2.914 . 0 0 "[ . 1 . ]" 2
65 1 58 ILE HA 1 58 ILE MD 4.900 . 6.000 4.183 4.174 4.186 . 0 0 "[ . 1 . ]" 2
66 1 90 LYS HA 1 90 LYS HG2 3.000 . 4.100 3.124 2.706 3.610 . 0 0 "[ . 1 . ]" 2
67 1 123 SER HA 1 123 SER QB 2.300 . 3.000 2.323 2.188 2.408 . 0 0 "[ . 1 . ]" 2
68 1 117 TYR HA 1 117 TYR HB2 2.800 . 3.700 2.751 2.602 2.854 . 0 0 "[ . 1 . ]" 2
69 1 57 ARG HA 1 57 ARG HB3 2.400 . 3.100 2.431 2.284 2.611 . 0 0 "[ . 1 . ]" 2
70 1 117 TYR HA 1 120 LYS HB2 5.100 . 6.000 3.934 3.473 4.519 . 0 0 "[ . 1 . ]" 2
71 1 64 THR HA 1 64 THR MG 2.600 . 3.400 2.448 2.285 3.176 . 0 0 "[ . 1 . ]" 2
72 1 64 THR HA 1 109 ILE HG12 4.000 . 6.000 4.604 3.482 5.213 . 0 0 "[ . 1 . ]" 2
73 1 61 LEU QD 1 64 THR HA 3.300 . 3.400 2.482 1.937 3.166 . 0 0 "[ . 1 . ]" 2
74 1 92 ILE MG 1 117 TYR HA 2.900 . 4.000 2.794 2.185 3.068 . 0 0 "[ . 1 . ]" 2
75 1 53 CYS HA 1 53 CYS HB3 3.000 . 4.200 3.008 2.974 3.030 . 0 0 "[ . 1 . ]" 2
76 1 53 CYS HA 1 53 CYS HB2 2.600 . 3.400 2.378 2.290 2.585 . 0 0 "[ . 1 . ]" 2
77 1 53 CYS HA 1 56 LYS QD 3.300 . 4.700 3.471 2.025 4.427 . 0 0 "[ . 1 . ]" 2
78 1 107 CYS HA 1 107 CYS HB3 2.600 . 3.400 2.544 2.468 2.622 . 0 0 "[ . 1 . ]" 2
79 1 52 ALA MB 1 107 CYS HA 3.000 . 6.000 4.126 3.611 4.575 . 0 0 "[ . 1 . ]" 2
80 1 21 CYS HA 1 53 CYS HB3 6.000 . 6.000 4.780 3.745 5.724 . 0 0 "[ . 1 . ]" 2
81 1 1 ILE HA 1 2 ASP HB2 6.000 . 6.000 4.863 4.418 5.911 . 0 0 "[ . 1 . ]" 2
82 1 21 CYS HA 1 21 CYS HB3 2.600 . 3.500 2.523 2.356 2.885 . 0 0 "[ . 1 . ]" 2
83 1 21 CYS HA 1 24 GLU HB2 2.900 . 4.000 2.565 1.820 4.039 0.039 4 0 "[ . 1 . ]" 2
84 1 27 ILE HA 1 27 ILE HB 2.700 . 3.600 2.500 2.413 2.590 . 0 0 "[ . 1 . ]" 2
85 1 27 ILE HA 1 27 ILE QG 3.200 . 4.500 3.238 2.819 3.321 . 0 0 "[ . 1 . ]" 2
86 1 15 MET HA 1 15 MET HG3 4.500 . 6.000 2.863 2.402 3.617 . 0 0 "[ . 1 . ]" 2
87 1 12 GLU HA 1 15 MET HG3 4.700 . 6.000 4.495 3.382 5.268 . 0 0 "[ . 1 . ]" 2
88 1 56 LYS HA 1 56 LYS HB3 2.000 . 2.500 2.360 2.235 2.487 . 0 0 "[ . 1 . ]" 2
89 1 73 LYS HA 1 73 LYS QB 2.100 . 2.700 2.411 2.319 2.537 . 0 0 "[ . 1 . ]" 2
90 1 56 LYS HA 1 56 LYS HG2 3.000 . 4.100 2.980 2.539 3.738 . 0 0 "[ . 1 . ]" 2
91 1 29 GLU HA 1 47 LEU MD1 3.200 . 6.000 4.273 1.905 6.327 0.327 3 0 "[ . 1 . ]" 2
92 1 15 MET HA 1 16 PRO QD 5.700 . 6.000 3.546 3.529 3.559 . 0 0 "[ . 1 . ]" 2
93 1 19 MET HA 1 20 PRO HD2 5.200 . 6.000 4.019 3.876 4.190 . 0 0 "[ . 1 . ]" 2
94 1 15 MET HA 1 15 MET HB3 2.700 . 3.600 2.630 2.241 2.906 . 0 0 "[ . 1 . ]" 2
95 1 9 LYS HA 1 12 GLU QB 2.400 . 3.100 3.027 2.802 3.131 0.031 5 0 "[ . 1 . ]" 2
96 1 76 GLU HA 1 76 GLU HB3 2.200 . 2.800 2.169 2.152 2.189 . 0 0 "[ . 1 . ]" 2
97 1 19 MET HA 1 19 MET HB3 2.300 . 3.000 2.430 2.255 2.483 . 0 0 "[ . 1 . ]" 2
98 1 76 GLU HA 1 76 GLU HB2 2.500 . 3.300 3.018 2.996 3.025 . 0 0 "[ . 1 . ]" 2
99 1 9 LYS HA 1 9 LYS HB2 2.500 . 3.300 2.987 2.846 3.017 . 0 0 "[ . 1 . ]" 2
100 1 9 LYS HA 1 9 LYS HB3 2.500 . 3.300 2.581 2.452 2.825 . 0 0 "[ . 1 . ]" 2
101 1 9 LYS HA 1 9 LYS QD 2.800 . 3.800 2.214 1.902 3.123 . 0 0 "[ . 1 . ]" 2
102 1 9 LYS HA 1 9 LYS HG2 2.500 . 3.300 3.006 2.391 3.651 0.351 11 0 "[ . 1 . ]" 2
103 1 19 MET HA 1 22 ALA MB 2.700 . 3.600 2.532 1.843 3.556 . 0 0 "[ . 1 . ]" 2
104 1 76 GLU HA 1 86 ILE HG12 2.800 . 3.800 2.710 2.378 3.078 . 0 0 "[ . 1 . ]" 2
105 1 50 LEU HA 1 53 CYS HB3 2.800 . 3.800 3.534 3.034 3.793 . 0 0 "[ . 1 . ]" 2
106 1 21 CYS HB3 1 50 LEU HA 3.900 . 5.800 3.434 2.853 3.879 . 0 0 "[ . 1 . ]" 2
107 1 87 GLN HA 1 87 GLN QB 2.100 . 2.600 2.286 2.157 2.392 . 0 0 "[ . 1 . ]" 2
108 1 87 GLN HA 1 90 LYS QB 2.900 . 4.000 2.542 2.063 2.889 . 0 0 "[ . 1 . ]" 2
109 1 87 GLN HA 1 90 LYS QD 3.300 . 4.700 2.871 2.273 3.662 . 0 0 "[ . 1 . ]" 2
110 1 74 MET HA 1 74 MET HG3 3.800 . 5.600 3.683 3.426 3.829 . 0 0 "[ . 1 . ]" 2
111 1 98 GLU HA 1 98 GLU QG 2.900 . 3.900 2.632 2.405 3.328 . 0 0 "[ . 1 . ]" 2
112 1 74 MET HA 1 74 MET HB2 2.900 . 4.000 2.600 2.399 3.003 . 0 0 "[ . 1 . ]" 2
113 1 74 MET HA 1 77 VAL MG1 5.500 . 6.000 5.481 5.232 5.634 . 0 0 "[ . 1 . ]" 2
114 1 72 TYR HA 1 72 TYR HB3 2.800 . 3.800 2.528 2.410 2.627 . 0 0 "[ . 1 . ]" 2
115 1 72 TYR HA 1 90 LYS HE3 3.100 . 4.300 3.073 2.168 4.325 0.025 6 0 "[ . 1 . ]" 2
116 1 72 TYR HA 1 75 ILE HB 2.400 . 3.100 2.823 2.568 3.039 . 0 0 "[ . 1 . ]" 2
117 1 59 GLU HA 1 59 GLU HB3 2.200 . 2.800 2.241 2.161 2.369 . 0 0 "[ . 1 . ]" 2
118 1 72 TYR HA 1 90 LYS HG3 4.300 . 6.000 3.257 2.527 4.753 . 0 0 "[ . 1 . ]" 2
119 1 72 TYR HA 1 75 ILE HG12 6.000 . 6.000 4.819 4.443 5.166 . 0 0 "[ . 1 . ]" 2
120 1 72 TYR HA 1 75 ILE MD 2.700 . 3.600 2.258 1.802 2.738 . 0 0 "[ . 1 . ]" 2
121 1 66 LEU QD 1 101 LYS HA 3.400 . 4.800 3.624 2.607 4.767 . 0 0 "[ . 1 . ]" 2
122 1 72 TYR HA 1 90 LYS HG2 3.700 . 5.400 4.003 3.134 5.105 . 0 0 "[ . 1 . ]" 2
123 1 88 LEU HA 1 88 LEU HB3 2.700 . 3.600 3.016 2.995 3.021 . 0 0 "[ . 1 . ]" 2
124 1 46 GLN HA 1 49 CYS HB2 3.600 . 5.200 3.187 2.377 5.040 . 0 0 "[ . 1 . ]" 2
125 1 46 GLN HA 1 49 CYS HB3 5.600 . 6.000 4.373 2.906 5.326 . 0 0 "[ . 1 . ]" 2
126 1 4 ASP HA 1 4 ASP HB3 2.500 . 3.300 2.594 2.410 3.027 . 0 0 "[ . 1 . ]" 2
127 1 115 ASP HA 1 115 ASP QB . . 3.100 2.347 2.301 2.388 . 0 0 "[ . 1 . ]" 2
128 1 84 ASP HA 1 87 GLN QB 2.800 . 3.800 2.011 1.787 2.262 0.013 3 0 "[ . 1 . ]" 2
129 1 121 LEU HA 1 121 LEU HG 3.000 . 4.100 3.137 2.492 3.646 . 0 0 "[ . 1 . ]" 2
130 1 92 ILE MD 1 121 LEU HA 2.800 . 6.000 3.825 2.376 5.022 . 0 0 "[ . 1 . ]" 2
131 1 67 TYR HA 1 67 TYR HB3 2.400 . 3.100 2.587 2.495 2.728 . 0 0 "[ . 1 . ]" 2
132 1 47 LEU HA 1 47 LEU MD2 3.200 . 4.500 3.082 1.962 3.959 . 0 0 "[ . 1 . ]" 2
133 1 84 ASP HA 1 88 LEU HA 3.800 . 6.000 5.999 5.883 6.051 0.051 9 0 "[ . 1 . ]" 2
134 1 60 MET HA 1 67 TYR HB3 3.900 . 5.800 3.286 2.676 4.296 . 0 0 "[ . 1 . ]" 2
135 1 60 MET HA 1 70 PRO HG3 3.800 . 5.600 2.706 2.074 3.564 . 0 0 "[ . 1 . ]" 2
136 1 85 ASP HA 1 88 LEU HB2 2.700 . 3.600 3.250 2.481 3.615 0.015 9 0 "[ . 1 . ]" 2
137 1 47 LEU HA 1 47 LEU HG 3.100 . 4.300 3.021 2.347 3.772 . 0 0 "[ . 1 . ]" 2
138 1 122 PHE HA 1 122 PHE HB2 2.500 . 3.300 2.303 2.237 2.691 . 0 0 "[ . 1 . ]" 2
139 1 96 CYS HA 1 115 ASP QB 4.400 . 6.000 5.865 5.831 5.915 . 0 0 "[ . 1 . ]" 2
140 1 96 CYS HA 1 96 CYS QB 2.900 . 4.000 2.386 2.285 2.529 . 0 0 "[ . 1 . ]" 2
141 1 96 CYS HA 1 113 TYR HA 4.800 . 6.000 3.742 3.474 4.279 . 0 0 "[ . 1 . ]" 2
142 1 17 ASP HA 1 57 ARG HD2 3.400 . 4.900 4.683 4.088 5.130 0.230 10 0 "[ . 1 . ]" 2
143 1 49 CYS HA 1 49 CYS HB3 2.700 . 3.600 2.604 2.223 2.880 . 0 0 "[ . 1 . ]" 2
144 1 94 ASN HA 1 94 ASN HB3 2.600 . 3.400 3.001 2.634 3.027 . 0 0 "[ . 1 . ]" 2
145 1 94 ASN HA 1 94 ASN HB2 2.900 . 4.000 2.502 2.428 2.994 . 0 0 "[ . 1 . ]" 2
146 1 17 ASP HA 1 20 PRO HG3 3.800 . 5.600 3.904 3.448 4.335 . 0 0 "[ . 1 . ]" 2
147 1 44 MET HA 1 44 MET ME 3.200 . 6.000 4.356 2.137 5.344 . 0 0 "[ . 1 . ]" 2
148 1 44 MET HA 1 47 LEU MD1 3.300 . 6.000 3.733 2.100 4.926 . 0 0 "[ . 1 . ]" 2
149 1 94 ASN HA 1 97 ILE MD 3.300 . 4.600 2.431 1.993 2.915 0.007 6 0 "[ . 1 . ]" 2
150 1 30 ASP HA 1 30 ASP HB2 2.800 . 3.800 2.624 2.394 3.029 . 0 0 "[ . 1 . ]" 2
151 1 30 ASP HA 1 30 ASP HB3 2.800 . 3.800 2.800 2.374 3.030 . 0 0 "[ . 1 . ]" 2
152 1 29 GLU QG 1 30 ASP HA 4.600 . 6.000 4.967 3.460 5.635 . 0 0 "[ . 1 . ]" 2
153 1 94 ASN HA 1 97 ILE HG13 3.900 . 5.800 3.370 2.508 5.356 . 0 0 "[ . 1 . ]" 2
154 1 62 LYS HA 1 62 LYS QB 2.400 . 3.100 2.403 2.334 2.498 . 0 0 "[ . 1 . ]" 2
155 1 22 ALA HA 1 25 LEU HG 4.900 . 6.000 5.519 4.819 6.026 0.026 15 0 "[ . 1 . ]" 2
156 1 22 ALA HA 1 50 LEU HG 3.200 . 4.500 3.707 2.802 4.506 0.006 8 0 "[ . 1 . ]" 2
157 1 62 LYS HA 1 62 LYS HD3 3.000 . 4.100 3.677 2.677 4.499 0.399 14 0 "[ . 1 . ]" 2
158 1 22 ALA HA 1 22 ALA MB 2.300 . 2.900 2.130 2.125 2.132 . 0 0 "[ . 1 . ]" 2
159 1 61 LEU QB 1 62 LYS HA 3.700 . 5.400 3.996 3.774 4.428 . 0 0 "[ . 1 . ]" 2
160 1 22 ALA HA 1 27 ILE QG 4.500 . 6.000 5.427 5.162 5.758 . 0 0 "[ . 1 . ]" 2
161 1 22 ALA HA 1 50 LEU QD 2.500 . 3.300 1.926 1.713 2.457 . 0 0 "[ . 1 . ]" 2
162 1 103 GLU HA 1 103 GLU QB 3.300 . 3.300 2.420 2.377 2.493 . 0 0 "[ . 1 . ]" 2
163 1 83 ALA HA 1 86 ILE HG13 3.500 . 5.000 3.728 3.434 4.131 . 0 0 "[ . 1 . ]" 2
164 1 83 ALA HA 1 86 ILE HB 2.700 . 3.600 3.642 3.626 3.654 0.054 3 0 "[ . 1 . ]" 2
165 1 83 ALA HA 1 83 ALA MB 2.300 . 3.000 2.128 2.126 2.131 . 0 0 "[ . 1 . ]" 2
166 1 83 ALA HA 1 86 ILE MD 2.500 . 3.300 2.648 2.160 2.884 . 0 0 "[ . 1 . ]" 2
167 1 14 LEU HA 1 16 PRO QD 4.900 . 6.000 2.859 2.664 3.268 . 0 0 "[ . 1 . ]" 2
168 1 8 ALA HA 1 11 MET QG 3.800 . 5.600 4.328 3.875 4.756 . 0 0 "[ . 1 . ]" 2
169 1 14 LEU HA 1 14 LEU HG 4.300 . 6.000 2.961 2.358 3.138 . 0 0 "[ . 1 . ]" 2
170 1 14 LEU HA 1 14 LEU MD1 3.400 . 4.900 3.845 3.377 3.905 . 0 0 "[ . 1 . ]" 2
171 1 7 VAL MG1 1 8 ALA HA 4.900 . 6.000 3.260 3.155 3.627 . 0 0 "[ . 1 . ]" 2
172 1 14 LEU HA 1 14 LEU MD2 2.900 . 3.900 2.141 1.931 3.402 . 0 0 "[ . 1 . ]" 2
173 1 52 ALA HA 1 55 MET HB3 3.300 . 4.700 4.618 4.361 4.751 0.051 6 0 "[ . 1 . ]" 2
174 1 52 ALA HA 1 55 MET HB2 2.900 . 4.000 3.454 2.986 3.832 . 0 0 "[ . 1 . ]" 2
175 1 93 ALA HA 1 93 ALA MB 2.200 . 2.800 2.129 2.126 2.131 . 0 0 "[ . 1 . ]" 2
176 1 32 ALA HA 1 32 ALA MB 2.400 . 3.100 2.127 2.123 2.131 . 0 0 "[ . 1 . ]" 2
177 1 27 ILE MG 1 32 ALA HA 2.800 . 6.000 3.948 1.656 4.510 . 0 0 "[ . 1 . ]" 2
178 1 92 ILE MG 1 93 ALA HA 6.000 . 6.000 3.500 3.218 3.719 . 0 0 "[ . 1 . ]" 2
179 1 80 ALA HA 1 81 GLY HA2 6.000 . 6.000 4.441 4.356 4.477 . 0 0 "[ . 1 . ]" 2
180 1 76 GLU HA 1 80 ALA HA 4.000 . 6.000 5.707 5.092 6.001 0.001 6 0 "[ . 1 . ]" 2
181 1 43 ASP HA 1 43 ASP HB2 2.500 . 3.300 2.579 2.393 3.021 . 0 0 "[ . 1 . ]" 2
182 1 80 ALA HA 1 86 ILE HG13 4.900 . 6.000 4.958 4.337 5.511 . 0 0 "[ . 1 . ]" 2
183 1 80 ALA HA 1 86 ILE MD 2.500 . 6.000 3.569 3.106 4.005 . 0 0 "[ . 1 . ]" 2
184 1 80 ALA HA 1 86 ILE HG12 4.500 . 6.000 5.083 4.520 5.648 . 0 0 "[ . 1 . ]" 2
185 1 2 ASP HA 1 3 GLN HA 6.000 . 6.000 4.344 4.313 4.438 . 0 0 "[ . 1 . ]" 2
186 1 1 ILE HA 1 2 ASP HA 6.000 . 6.000 4.362 4.306 4.567 . 0 0 "[ . 1 . ]" 2
187 1 40 ASN HA 1 40 ASN QB 3.100 . 4.300 2.245 2.152 2.508 . 0 0 "[ . 1 . ]" 2
188 1 2 ASP HA 1 2 ASP HB3 2.400 . 3.100 2.535 2.418 3.025 . 0 0 "[ . 1 . ]" 2
189 1 1 ILE HB 1 2 ASP HA 4.900 . 6.000 4.804 4.428 6.014 0.014 14 0 "[ . 1 . ]" 2
190 1 61 LEU HA 1 62 LYS QB 4.900 . 6.000 4.393 4.262 4.527 . 0 0 "[ . 1 . ]" 2
191 1 97 ILE HA 1 100 ALA HA 5.300 . 6.000 5.412 4.784 6.054 0.054 5 0 "[ . 1 . ]" 2
192 1 32 ALA HA 1 42 ALA HA 4.900 . 6.000 5.984 5.403 6.134 0.134 11 0 "[ . 1 . ]" 2
193 1 42 ALA HA 1 42 ALA MB 2.100 . 2.600 2.126 2.117 2.133 . 0 0 "[ . 1 . ]" 2
194 1 81 GLY HA3 1 82 ASN HA 6.000 . 6.000 4.403 4.339 4.475 . 0 0 "[ . 1 . ]" 2
195 1 82 ASN HA 1 82 ASN QB 2.900 . 3.400 2.400 2.373 2.511 . 0 0 "[ . 1 . ]" 2
196 1 100 ALA HA 1 112 LYS QE 4.100 . 6.000 4.555 2.393 5.545 . 0 0 "[ . 1 . ]" 2
197 1 100 ALA HA 1 103 GLU QG 3.300 . 4.700 3.736 3.217 4.687 . 0 0 "[ . 1 . ]" 2
198 1 100 ALA HA 1 112 LYS HB3 3.000 . 4.100 2.487 2.040 3.747 . 0 0 "[ . 1 . ]" 2
199 1 100 ALA HA 1 112 LYS HB2 2.800 . 3.800 2.560 2.095 3.534 . 0 0 "[ . 1 . ]" 2
200 1 100 ALA HA 1 100 ALA MB 2.100 . 2.600 2.127 2.122 2.131 . 0 0 "[ . 1 . ]" 2
201 1 104 THR HA 1 105 ASP HA 5.700 . 6.000 4.625 4.537 4.740 . 0 0 "[ . 1 . ]" 2
202 1 16 PRO HA 1 16 PRO QD 3.600 . 4.800 3.399 3.284 3.468 . 0 0 "[ . 1 . ]" 2
203 1 15 MET HB3 1 16 PRO QD 2.300 . 3.000 1.898 1.709 2.108 0.191 11 0 "[ . 1 . ]" 2
204 1 15 MET HB2 1 16 PRO QD 3.000 . 4.100 3.213 2.718 3.512 . 0 0 "[ . 1 . ]" 2
205 1 16 PRO QD 1 18 ILE HB 2.900 . 6.000 5.287 4.882 5.570 . 0 0 "[ . 1 . ]" 2
206 1 17 ASP HA 1 20 PRO HD3 3.300 . 4.700 3.626 3.236 4.088 . 0 0 "[ . 1 . ]" 2
207 1 17 ASP HA 1 20 PRO HD2 3.200 . 4.500 3.050 2.841 3.267 . 0 0 "[ . 1 . ]" 2
208 1 19 MET HG3 1 20 PRO HD2 5.000 . 6.000 4.349 2.973 5.309 . 0 0 "[ . 1 . ]" 2
209 1 20 PRO HB3 1 20 PRO HD2 4.000 . 6.000 3.928 3.864 3.986 . 0 0 "[ . 1 . ]" 2
210 1 20 PRO HB3 1 20 PRO HD3 2.900 . 4.000 4.026 3.987 4.063 0.063 3 0 "[ . 1 . ]" 2
211 1 20 PRO HB2 1 20 PRO HD3 3.100 . 4.300 3.866 3.840 3.899 . 0 0 "[ . 1 . ]" 2
212 1 70 PRO HA 1 70 PRO HD3 3.400 . 4.900 3.539 3.345 3.722 . 0 0 "[ . 1 . ]" 2
213 1 67 TYR HB3 1 70 PRO HD2 2.800 . 3.800 2.669 2.036 3.808 0.008 7 0 "[ . 1 . ]" 2
214 1 67 TYR HB2 1 70 PRO HD2 3.800 . 5.600 3.597 2.919 4.287 . 0 0 "[ . 1 . ]" 2
215 1 69 GLU HB2 1 70 PRO HD3 2.000 . 2.500 1.990 1.831 2.088 . 0 0 "[ . 1 . ]" 2
216 1 70 PRO HD3 1 73 LYS QB 2.800 . 6.000 5.920 5.540 6.053 0.053 1 0 "[ . 1 . ]" 2
217 1 70 PRO HD3 1 70 PRO HG3 2.000 . 2.500 2.304 2.285 2.319 . 0 0 "[ . 1 . ]" 2
218 1 60 MET HA 1 70 PRO HD2 3.800 . 5.600 3.827 3.444 4.660 . 0 0 "[ . 1 . ]" 2
219 1 70 PRO HB3 1 70 PRO HD3 3.200 . 4.500 3.059 2.945 4.034 . 0 0 "[ . 1 . ]" 2
220 1 48 GLY HA2 1 114 THR HA 3.100 . 6.000 5.959 5.671 6.119 0.119 7 0 "[ . 1 . ]" 2
221 1 48 GLY HA2 1 111 ASN QB 3.700 . 5.400 4.411 3.814 5.519 0.119 17 0 "[ . 1 . ]" 2
222 1 110 GLY QA 1 113 TYR QB 3.900 . 5.800 2.595 2.152 3.754 . 0 0 "[ . 1 . ]" 2
223 1 52 ALA MB 1 110 GLY QA 3.100 . 4.300 2.528 1.863 3.306 0.037 9 0 "[ . 1 . ]" 2
224 1 109 ILE MG 1 110 GLY QA 3.600 . 5.300 3.045 2.713 3.397 . 0 0 "[ . 1 . ]" 2
225 1 62 LYS QB 1 63 GLY HA3 6.000 . 6.000 4.295 4.209 4.328 . 0 0 "[ . 1 . ]" 2
226 1 61 LEU HG 1 63 GLY HA2 6.000 . 6.000 4.462 3.893 5.932 . 0 0 "[ . 1 . ]" 2
227 1 63 GLY HA3 1 64 THR MG 5.500 . 6.000 3.430 3.007 3.802 . 0 0 "[ . 1 . ]" 2
228 1 63 GLY HA2 1 64 THR MG 5.400 . 6.000 3.629 3.058 4.045 . 0 0 "[ . 1 . ]" 2
229 1 56 LYS HA 1 61 LEU QB 3.600 . 4.700 2.602 2.248 3.166 . 0 0 "[ . 1 . ]" 2
230 1 52 ALA HA 1 61 LEU QB 6.000 . 6.000 5.148 4.514 5.379 . 0 0 "[ . 1 . ]" 2
231 1 55 MET HA 1 61 LEU QB 6.000 . 6.000 4.205 3.887 4.721 . 0 0 "[ . 1 . ]" 2
232 1 55 MET HG2 1 61 LEU QB 5.500 . 6.000 4.468 4.140 5.111 . 0 0 "[ . 1 . ]" 2
233 1 60 MET QG 1 61 LEU QB 5.600 . 6.000 3.622 2.694 4.921 . 0 0 "[ . 1 . ]" 2
234 1 55 MET HB3 1 61 LEU QB 2.600 . 3.500 2.417 2.130 2.947 . 0 0 "[ . 1 . ]" 2
235 1 55 MET HB2 1 61 LEU QB 2.900 . 3.600 2.479 2.231 3.108 . 0 0 "[ . 1 . ]" 2
236 1 56 LYS HG3 1 61 LEU QB 3.700 . 5.400 2.959 1.922 4.124 0.078 9 0 "[ . 1 . ]" 2
237 1 56 LYS QD 1 61 LEU QB 4.900 . 6.000 3.837 3.362 4.478 . 0 0 "[ . 1 . ]" 2
238 1 56 LYS HG2 1 61 LEU QB 4.200 . 6.000 2.343 1.744 3.443 0.256 17 0 "[ . 1 . ]" 2
239 1 61 LEU QB 1 61 LEU QD 2.600 . 3.400 1.938 1.894 1.964 0.006 17 0 "[ . 1 . ]" 2
240 1 61 LEU QB 1 66 LEU QD 3.400 . 6.000 3.514 2.630 4.538 . 0 0 "[ . 1 . ]" 2
241 1 65 GLU HA 1 66 LEU QB 6.000 . 6.000 4.310 3.816 4.531 . 0 0 "[ . 1 . ]" 2
242 1 41 GLY HA3 1 42 ALA HA 4.300 . 6.000 4.436 4.401 4.555 . 0 0 "[ . 1 . ]" 2
243 1 66 LEU QB 1 97 ILE HA 5.300 . 6.000 3.929 3.225 5.118 . 0 0 "[ . 1 . ]" 2
244 1 60 MET QG 1 66 LEU QB 6.000 . 6.000 5.086 4.133 5.782 . 0 0 "[ . 1 . ]" 2
245 1 66 LEU QB 1 97 ILE HG13 4.800 . 6.000 4.500 3.587 6.452 0.452 1 0 "[ . 1 . ]" 2
246 1 66 LEU QB 1 66 LEU HG 2.300 . 3.000 2.293 2.142 2.472 . 0 0 "[ . 1 . ]" 2
247 1 41 GLY HA3 1 42 ALA MB 5.200 . 6.000 4.514 4.370 4.811 . 0 0 "[ . 1 . ]" 2
248 1 60 MET ME 1 66 LEU QB 5.500 . 6.000 3.984 1.994 4.695 0.006 11 0 "[ . 1 . ]" 2
249 1 66 LEU QB 1 66 LEU QD 2.400 . 3.100 1.959 1.891 2.054 0.009 9 0 "[ . 1 . ]" 2
250 1 80 ALA MB 1 81 GLY HA3 4.300 . 6.000 4.271 4.168 4.443 . 0 0 "[ . 1 . ]" 2
251 1 14 LEU HA 1 17 ASP QB 4.600 . 6.000 3.237 2.735 4.256 . 0 0 "[ . 1 . ]" 2
252 1 17 ASP QB 1 57 ARG HD3 2.900 . 3.900 2.874 2.031 3.634 . 0 0 "[ . 1 . ]" 2
253 1 17 ASP QB 1 57 ARG HD2 3.100 . 4.300 3.537 2.698 3.978 . 0 0 "[ . 1 . ]" 2
254 1 14 LEU HB2 1 17 ASP QB 4.100 . 6.000 3.923 3.538 5.868 . 0 0 "[ . 1 . ]" 2
255 1 80 ALA MB 1 81 GLY HA2 4.500 . 6.000 4.033 3.948 4.135 . 0 0 "[ . 1 . ]" 2
256 1 14 LEU MD1 1 17 ASP QB 4.200 . 6.000 3.707 2.923 5.447 . 0 0 "[ . 1 . ]" 2
257 1 14 LEU MD2 1 17 ASP QB 2.400 . 6.000 2.669 2.074 3.944 . 0 0 "[ . 1 . ]" 2
258 1 57 ARG HA 1 57 ARG HD3 4.600 . 6.000 3.676 2.962 3.933 . 0 0 "[ . 1 . ]" 2
259 1 57 ARG HA 1 57 ARG HD2 4.100 . 6.000 3.483 2.924 3.907 . 0 0 "[ . 1 . ]" 2
260 1 20 PRO HB3 1 57 ARG HD3 5.800 . 6.000 5.945 5.427 6.047 0.047 12 0 "[ . 1 . ]" 2
261 1 20 PRO HB3 1 57 ARG HD2 6.000 . 6.000 5.599 4.450 6.006 0.006 4 0 "[ . 1 . ]" 2
262 1 57 ARG HB3 1 57 ARG HD3 2.400 . 3.100 2.145 2.083 2.169 . 0 0 "[ . 1 . ]" 2
263 1 57 ARG HB3 1 57 ARG HD2 2.600 . 3.500 2.280 2.148 2.386 . 0 0 "[ . 1 . ]" 2
264 1 20 PRO HB2 1 57 ARG HD3 3.700 . 5.400 5.194 4.804 5.651 0.251 17 0 "[ . 1 . ]" 2
265 1 20 PRO HB2 1 57 ARG HD2 4.200 . 6.000 4.547 3.650 5.080 . 0 0 "[ . 1 . ]" 2
266 1 14 LEU HA 1 14 LEU HB3 2.700 . 3.600 2.495 2.424 2.582 . 0 0 "[ . 1 . ]" 2
267 1 11 MET HA 1 14 LEU HB3 6.000 . 6.000 6.322 5.702 6.873 0.873 4 7 "[ +* * * *- . *]" 2
268 1 14 LEU HB2 1 14 LEU HG 2.700 . 3.600 2.533 2.467 2.951 . 0 0 "[ . 1 . ]" 2
269 1 14 LEU HB3 1 18 ILE QG 2.600 . 3.400 3.017 2.594 3.307 . 0 0 "[ . 1 . ]" 2
270 1 14 LEU HB2 1 18 ILE QG 3.400 . 4.800 3.187 2.349 4.111 . 0 0 "[ . 1 . ]" 2
271 1 14 LEU HB2 1 14 LEU MD1 2.800 . 3.800 2.274 2.166 2.342 . 0 0 "[ . 1 . ]" 2
272 1 14 LEU HB3 1 14 LEU MD1 2.900 . 3.900 2.475 2.371 3.086 . 0 0 "[ . 1 . ]" 2
273 1 14 LEU HB3 1 14 LEU MD2 2.300 . 3.000 2.313 2.147 2.361 . 0 0 "[ . 1 . ]" 2
274 1 121 LEU HA 1 121 LEU HB3 2.700 . 3.600 2.990 2.928 3.013 . 0 0 "[ . 1 . ]" 2
275 1 121 LEU HA 1 121 LEU HB2 2.300 . 3.000 2.536 2.371 2.735 . 0 0 "[ . 1 . ]" 2
276 1 121 LEU HB3 1 121 LEU HG 1.900 . 2.400 2.559 2.410 3.017 0.617 11 3 "[ * 1+ .- ]" 2
277 1 121 LEU HB3 1 121 LEU QD 3.100 . 4.300 2.239 2.093 2.329 . 0 0 "[ . 1 . ]" 2
278 1 92 ILE MD 1 121 LEU HB3 4.200 . 6.000 4.590 3.307 5.796 . 0 0 "[ . 1 . ]" 2
279 1 92 ILE MD 1 121 LEU HB2 3.300 . 4.700 3.263 1.918 4.348 . 0 0 "[ . 1 . ]" 2
280 1 85 ASP HA 1 88 LEU HB3 2.300 . 3.000 2.961 2.682 3.043 0.043 2 0 "[ . 1 . ]" 2
281 1 116 CYS HA 1 120 LYS QE 3.800 . 5.600 4.420 2.806 5.568 . 0 0 "[ . 1 . ]" 2
282 1 88 LEU HA 1 88 LEU HB2 2.400 . 3.100 2.480 2.412 2.622 . 0 0 "[ . 1 . ]" 2
283 1 120 LYS HA 1 120 LYS QE 4.100 . 6.000 4.613 3.923 5.055 . 0 0 "[ . 1 . ]" 2
284 1 95 GLU HB3 1 120 LYS HE2 3.300 . 4.700 3.845 2.481 5.566 0.866 8 1 "[ . + 1 . ]" 2
285 1 95 GLU HB2 1 120 LYS HE2 3.600 . 5.200 4.402 2.766 5.601 0.401 10 0 "[ . 1 . ]" 2
286 1 120 LYS QD 1 120 LYS HE2 2.000 . 2.500 2.183 2.130 2.278 . 0 0 "[ . 1 . ]" 2
287 1 88 LEU HB3 1 88 LEU HG 2.400 . 3.100 2.542 2.417 2.998 . 0 0 "[ . 1 . ]" 2
288 1 88 LEU HB2 1 88 LEU HG 2.300 . 3.000 2.903 2.408 3.020 0.020 17 0 "[ . 1 . ]" 2
289 1 88 LEU HB3 1 89 VAL QG 3.700 . 5.400 3.011 2.794 4.102 . 0 0 "[ . 1 . ]" 2
290 1 25 LEU HA 1 25 LEU QB 2.400 . 3.100 2.302 2.202 2.348 . 0 0 "[ . 1 . ]" 2
291 1 22 ALA HA 1 25 LEU QB 3.400 . 4.800 4.567 3.417 4.902 0.102 2 0 "[ . 1 . ]" 2
292 1 25 LEU QB 1 27 ILE QG 3.300 . 4.600 4.198 2.849 4.661 0.061 14 0 "[ . 1 . ]" 2
293 1 101 LYS QE 1 103 GLU HA 3.900 . 5.800 4.376 2.768 5.673 . 0 0 "[ . 1 . ]" 2
294 1 101 LYS QE 1 103 GLU HG2 4.000 . 6.000 3.619 1.831 5.776 0.169 16 0 "[ . 1 . ]" 2
295 1 101 LYS QE 1 103 GLU QB 3.700 . 6.000 4.771 3.863 5.520 . 0 0 "[ . 1 . ]" 2
296 1 101 LYS QB 1 101 LYS QE 3.500 . 5.100 3.212 1.926 3.797 . 0 0 "[ . 1 . ]" 2
297 1 101 LYS QD 1 101 LYS QE 2.000 . 2.500 2.033 1.965 2.092 . 0 0 "[ . 1 . ]" 2
298 1 9 LYS QD 1 9 LYS QE 1.900 . 2.300 2.048 1.993 2.092 . 0 0 "[ . 1 . ]" 2
299 1 53 CYS HA 1 56 LYS HE3 3.000 . 4.100 3.183 1.905 4.175 0.075 8 0 "[ . 1 . ]" 2
300 1 53 CYS HA 1 56 LYS HE2 3.100 . 4.300 2.855 1.978 4.323 0.023 6 0 "[ . 1 . ]" 2
301 1 59 GLU HA 1 62 LYS QE 3.400 . 4.800 3.350 1.986 4.832 0.032 12 0 "[ . 1 . ]" 2
302 1 56 LYS HB2 1 56 LYS HE3 3.300 . 4.600 3.131 2.025 4.749 0.149 8 0 "[ . 1 . ]" 2
303 1 56 LYS HB2 1 56 LYS HE2 4.000 . 6.000 3.568 2.143 4.626 . 0 0 "[ . 1 . ]" 2
304 1 56 LYS HB3 1 56 LYS HE2 4.000 . 6.000 4.156 3.126 4.666 . 0 0 "[ . 1 . ]" 2
305 1 62 LYS QB 1 62 LYS QE 3.700 . 5.400 2.624 1.986 3.567 0.014 12 0 "[ . 1 . ]" 2
306 1 62 LYS HD3 1 62 LYS QE 2.600 . 3.400 2.323 2.173 2.372 . 0 0 "[ . 1 . ]" 2
307 1 62 LYS HD2 1 62 LYS QE 2.500 . 3.300 2.337 2.173 2.369 . 0 0 "[ . 1 . ]" 2
308 1 62 LYS QE 1 62 LYS QG 3.100 . 3.700 2.320 2.148 2.755 . 0 0 "[ . 1 . ]" 2
309 1 44 MET HA 1 47 LEU QB 3.500 . 5.100 2.443 1.929 4.314 0.071 5 0 "[ . 1 . ]" 2
310 1 90 LYS HA 1 90 LYS QE 3.800 . 5.600 4.274 3.783 4.730 . 0 0 "[ . 1 . ]" 2
311 1 72 TYR HB3 1 90 LYS HE3 2.700 . 3.600 2.756 1.857 3.606 0.006 4 0 "[ . 1 . ]" 2
312 1 21 CYS HB2 1 53 CYS HB3 3.800 . 5.600 3.183 2.300 3.720 . 0 0 "[ . 1 . ]" 2
313 1 72 TYR HB2 1 90 LYS HE3 3.600 . 5.200 4.370 3.476 5.204 0.004 4 0 "[ . 1 . ]" 2
314 1 44 MET QG 1 47 LEU QB 4.800 . 6.000 4.089 3.227 5.035 . 0 0 "[ . 1 . ]" 2
315 1 76 GLU QG 1 90 LYS HE2 3.500 . 5.000 4.695 3.975 5.781 0.781 10 2 "[ - + . ]" 2
316 1 90 LYS HE2 1 90 LYS HG3 2.600 . 3.500 2.848 2.411 3.422 . 0 0 "[ . 1 . ]" 2
317 1 47 LEU QB 1 47 LEU HG 2.300 . 3.000 2.343 2.148 2.451 . 0 0 "[ . 1 . ]" 2
318 1 90 LYS QD 1 90 LYS HE2 2.600 . 3.100 2.365 2.330 2.423 . 0 0 "[ . 1 . ]" 2
319 1 86 ILE MG 1 90 LYS HE2 3.400 . 4.800 3.827 3.012 4.465 . 0 0 "[ . 1 . ]" 2
320 1 47 LEU QB 1 47 LEU MD1 2.800 . 3.100 2.183 2.081 2.296 . 0 0 "[ . 1 . ]" 2
321 1 21 CYS HB2 1 50 LEU QD 3.000 . 4.100 3.077 2.288 3.906 . 0 0 "[ . 1 . ]" 2
322 1 47 LEU QB 1 47 LEU MD2 2.900 . 3.900 2.215 2.073 2.465 . 0 0 "[ . 1 . ]" 2
323 1 18 ILE QG 1 21 CYS HB3 4.100 . 6.000 4.964 4.080 5.522 . 0 0 "[ . 1 . ]" 2
324 1 90 LYS QE 1 90 LYS HG2 2.700 . 3.600 2.572 2.208 3.263 . 0 0 "[ . 1 . ]" 2
325 1 43 ASP HA 1 43 ASP HB3 2.200 . 2.800 2.912 2.340 3.027 0.227 15 0 "[ . 1 . ]" 2
326 1 2 ASP HB2 1 5 THR HA 3.600 . 5.200 3.956 2.733 5.287 0.087 14 0 "[ . 1 . ]" 2
327 1 2 ASP HB2 1 5 THR MG 4.000 . 6.000 3.354 2.003 5.552 . 0 0 "[ . 1 . ]" 2
328 1 47 LEU HA 1 50 LEU QB 3.000 . 4.100 3.444 2.772 3.889 . 0 0 "[ . 1 . ]" 2
329 1 50 LEU HA 1 50 LEU QB 3.100 . 3.600 2.397 2.278 2.535 . 0 0 "[ . 1 . ]" 2
330 1 50 LEU QB 1 53 CYS HB3 6.000 . 6.000 5.098 4.424 5.397 . 0 0 "[ . 1 . ]" 2
331 1 4 ASP QB 1 5 THR MG 3.500 . 5.000 4.077 3.056 5.035 0.035 16 0 "[ . 1 . ]" 2
332 1 50 LEU QB 1 50 LEU QD 2.600 . 2.900 2.006 1.852 2.058 0.148 13 0 "[ . 1 . ]" 2
333 1 25 LEU MD2 1 50 LEU QB 3.200 . 6.000 4.447 3.310 5.578 . 0 0 "[ . 1 . ]" 2
334 1 67 TYR HA 1 67 TYR HB2 2.700 . 3.600 3.004 2.943 3.026 . 0 0 "[ . 1 . ]" 2
335 1 67 TYR HB2 1 70 PRO HD3 5.300 . 6.000 4.215 3.551 4.858 . 0 0 "[ . 1 . ]" 2
336 1 67 TYR HB3 1 70 PRO HD3 3.700 . 5.400 3.292 2.614 4.125 . 0 0 "[ . 1 . ]" 2
337 1 67 TYR HB3 1 70 PRO HG2 4.900 . 6.000 3.999 3.019 5.740 . 0 0 "[ . 1 . ]" 2
338 1 84 ASP HA 1 84 ASP HB3 2.000 . 2.500 2.427 2.390 2.499 . 0 0 "[ . 1 . ]" 2
339 1 27 ILE HA 1 27 ILE HB 2.700 . 3.600 2.615 2.478 2.959 . 0 0 "[ . 1 . ]" 2
340 1 27 ILE HB 1 32 ALA HA 2.700 . 3.600 3.465 2.410 3.695 0.095 9 0 "[ . 1 . ]" 2
341 1 117 TYR HA 1 117 TYR HB3 2.800 . 3.800 2.924 2.840 3.006 . 0 0 "[ . 1 . ]" 2
342 1 27 ILE HB 1 32 ALA MB 4.100 . 6.000 3.667 2.045 4.534 . 0 0 "[ . 1 . ]" 2
343 1 27 ILE HB 1 27 ILE QG 3.000 . 4.100 2.373 2.230 2.533 . 0 0 "[ . 1 . ]" 2
344 1 27 ILE HB 1 27 ILE MG 2.300 . 3.000 2.130 2.124 2.134 . 0 0 "[ . 1 . ]" 2
345 1 112 LYS HA 1 115 ASP QB 3.400 . 4.800 2.968 2.589 3.338 . 0 0 "[ . 1 . ]" 2
346 1 48 GLY HA3 1 113 TYR QB 4.700 . 6.000 5.681 5.116 6.075 0.075 6 0 "[ . 1 . ]" 2
347 1 82 ASN QB 1 85 ASP QB . . 2.800 1.991 1.667 2.698 0.333 7 0 "[ . 1 . ]" 2
348 1 30 ASP HB3 1 31 ILE MD 4.800 . 6.000 4.023 3.122 5.176 . 0 0 "[ . 1 . ]" 2
349 1 94 ASN HB2 1 95 GLU HA 4.200 . 6.000 5.577 4.744 5.691 . 0 0 "[ . 1 . ]" 2
350 1 91 GLY QA 1 94 ASN HB3 3.000 . 4.100 3.292 2.609 4.175 0.075 17 0 "[ . 1 . ]" 2
351 1 91 GLY QA 1 94 ASN HB2 2.600 . 3.400 3.226 2.714 3.724 0.324 15 0 "[ . 1 . ]" 2
352 1 113 TYR HA 1 113 TYR QB 2.600 . 3.400 2.434 2.388 2.528 . 0 0 "[ . 1 . ]" 2
353 1 112 LYS HB3 1 113 TYR QB 2.900 . 6.000 4.835 4.557 5.423 . 0 0 "[ . 1 . ]" 2
354 1 93 ALA MB 1 94 ASN HB2 4.800 . 6.000 4.241 4.002 4.558 . 0 0 "[ . 1 . ]" 2
355 1 99 ASN HA 1 99 ASN QB 2.500 . 3.300 2.207 2.148 2.320 . 0 0 "[ . 1 . ]" 2
356 1 13 TYR HA 1 13 TYR HB2 2.400 . 3.100 2.590 2.449 2.656 . 0 0 "[ . 1 . ]" 2
357 1 98 GLU QB 1 99 ASN QB 4.300 . 6.000 3.798 3.507 4.639 . 0 0 "[ . 1 . ]" 2
358 1 99 ASN QB 1 100 ALA MB 3.600 . 5.200 4.252 3.565 4.681 . 0 0 "[ . 1 . ]" 2
359 1 1 ILE HB 1 1 ILE MG 2.200 . 2.800 2.126 2.116 2.129 . 0 0 "[ . 1 . ]" 2
360 1 1 ILE HB 1 79 HIS HA 2.700 . 6.000 5.935 5.577 6.028 0.028 9 0 "[ . 1 . ]" 2
361 1 72 TYR HA 1 75 ILE HB 2.800 . 3.800 2.968 2.604 3.244 . 0 0 "[ . 1 . ]" 2
362 1 75 ILE HB 1 90 LYS HA 4.600 . 6.000 4.971 4.554 5.337 . 0 0 "[ . 1 . ]" 2
363 1 50 LEU HA 1 53 CYS HB2 2.800 . 3.800 3.512 2.911 3.822 0.022 14 0 "[ . 1 . ]" 2
364 1 75 ILE HB 1 86 ILE HA 5.300 . 6.000 4.447 4.025 5.071 . 0 0 "[ . 1 . ]" 2
365 1 75 ILE HB 1 75 ILE MD 2.300 . 3.000 1.985 1.962 2.001 . 0 0 "[ . 1 . ]" 2
366 1 118 ILE MG 1 122 PHE HB2 4.100 . 6.000 3.694 2.099 4.214 . 0 0 "[ . 1 . ]" 2
367 1 27 ILE HA 1 31 ILE HB 2.900 . 6.000 3.844 1.873 5.778 . 0 0 "[ . 1 . ]" 2
368 1 89 VAL HA 1 92 ILE HB 2.500 . 3.300 2.553 2.076 2.868 . 0 0 "[ . 1 . ]" 2
369 1 21 CYS HB3 1 53 CYS HB3 3.100 . 4.300 2.805 2.058 3.699 . 0 0 "[ . 1 . ]" 2
370 1 92 ILE HB 1 92 ILE QG 2.100 . 2.600 2.234 2.182 2.344 . 0 0 "[ . 1 . ]" 2
371 1 92 ILE HB 1 92 ILE MD 2.300 . 6.000 2.956 2.400 3.240 . 0 0 "[ . 1 . ]" 2
372 1 109 ILE HA 1 109 ILE HB 3.000 . 4.200 2.988 2.915 3.024 . 0 0 "[ . 1 . ]" 2
373 1 109 ILE HB 1 109 ILE HG13 2.000 . 2.500 2.496 2.424 2.541 0.041 16 0 "[ . 1 . ]" 2
374 1 115 ASP HA 1 118 ILE HB 3.100 . 4.300 3.638 3.050 4.306 0.006 16 0 "[ . 1 . ]" 2
375 1 93 ALA HA 1 96 CYS QB 4.400 . 6.000 3.138 2.214 3.634 . 0 0 "[ . 1 . ]" 2
376 1 96 CYS QB 1 113 TYR HA 5.800 . 6.000 2.374 1.990 3.189 0.010 8 0 "[ . 1 . ]" 2
377 1 69 GLU HA 1 69 GLU HG3 3.300 . 4.600 3.120 2.441 3.769 . 0 0 "[ . 1 . ]" 2
378 1 69 GLU HA 1 69 GLU HG2 2.700 . 3.600 2.768 2.478 3.673 0.073 17 0 "[ . 1 . ]" 2
379 1 69 GLU HG2 1 70 PRO HD3 4.700 . 6.000 4.691 3.635 5.055 . 0 0 "[ . 1 . ]" 2
380 1 105 ASP HB3 1 108 ASN HB3 3.000 . 4.100 2.794 1.866 3.680 0.034 17 0 "[ . 1 . ]" 2
381 1 103 GLU QG 1 108 ASN HB3 2.700 . 3.600 2.962 2.112 3.604 0.004 16 0 "[ . 1 . ]" 2
382 1 103 GLU QG 1 108 ASN HB2 3.400 . 4.800 4.104 3.291 4.813 0.013 17 0 "[ . 1 . ]" 2
383 1 103 GLU QB 1 108 ASN HB3 4.500 . 6.000 2.612 2.125 3.064 . 0 0 "[ . 1 . ]" 2
384 1 58 ILE HB 1 70 PRO HB2 3.200 . 4.500 3.251 2.573 4.038 . 0 0 "[ . 1 . ]" 2
385 1 58 ILE HB 1 58 ILE MG 2.200 . 2.800 2.128 2.126 2.129 . 0 0 "[ . 1 . ]" 2
386 1 58 ILE HB 1 58 ILE MD 2.400 . 3.100 2.403 2.392 2.449 . 0 0 "[ . 1 . ]" 2
387 1 68 VAL QG 1 69 GLU HG2 4.100 . 6.000 3.813 2.495 4.768 . 0 0 "[ . 1 . ]" 2
388 1 76 GLU HA 1 76 GLU QG 2.400 . 3.100 2.394 2.320 2.477 . 0 0 "[ . 1 . ]" 2
389 1 69 GLU HG3 1 70 PRO HD3 4.900 . 6.000 4.180 3.728 4.971 . 0 0 "[ . 1 . ]" 2
390 1 76 GLU HB2 1 76 GLU QG 2.600 . 3.500 2.317 2.262 2.372 . 0 0 "[ . 1 . ]" 2
391 1 69 GLU HB3 1 69 GLU HG3 2.900 . 3.900 2.849 2.410 3.010 . 0 0 "[ . 1 . ]" 2
392 1 25 LEU MD2 1 49 CYS HB2 4.000 . 6.000 4.692 2.878 5.773 . 0 0 "[ . 1 . ]" 2
393 1 76 GLU QG 1 90 LYS QD 3.900 . 5.800 4.409 3.061 4.854 . 0 0 "[ . 1 . ]" 2
394 1 68 VAL QG 1 69 GLU HG3 5.100 . 6.000 3.599 2.755 4.680 . 0 0 "[ . 1 . ]" 2
395 1 72 TYR HA 1 76 GLU QG 2.800 . 6.000 4.457 4.260 4.656 . 0 0 "[ . 1 . ]" 2
396 1 73 LYS HA 1 76 GLU QG 3.500 . 5.000 2.711 2.414 3.430 . 0 0 "[ . 1 . ]" 2
397 1 59 GLU HA 1 59 GLU QG 2.500 . 3.300 2.584 2.342 3.343 0.043 9 0 "[ . 1 . ]" 2
398 1 73 LYS HE3 1 76 GLU QG 3.200 . 6.000 5.192 3.598 6.345 0.345 15 0 "[ . 1 . ]" 2
399 1 59 GLU HB2 1 59 GLU QG 2.400 . 3.100 2.283 2.163 2.349 . 0 0 "[ . 1 . ]" 2
400 1 97 ILE HB 1 97 ILE MD 2.600 . 3.500 2.377 2.338 2.415 . 0 0 "[ . 1 . ]" 2
401 1 95 GLU HA 1 95 GLU HG2 3.100 . 4.300 3.211 2.357 3.768 . 0 0 "[ . 1 . ]" 2
402 1 12 GLU HG2 1 16 PRO QD 5.500 . 6.000 5.517 4.801 6.717 0.717 6 1 "[ .+ 1 . ]" 2
403 1 116 CYS HB2 1 120 LYS QE 3.900 . 5.800 4.070 2.694 5.545 . 0 0 "[ . 1 . ]" 2
404 1 96 CYS QB 1 116 CYS HB2 3.400 . 4.800 4.131 3.734 4.413 . 0 0 "[ . 1 . ]" 2
405 1 96 CYS QB 1 116 CYS HB3 4.300 . 6.000 3.963 2.437 5.200 . 0 0 "[ . 1 . ]" 2
406 1 103 GLU HA 1 103 GLU QG 2.400 . 3.100 2.801 2.410 2.986 . 0 0 "[ . 1 . ]" 2
407 1 116 CYS HA 1 116 CYS HB3 2.500 . 3.300 2.569 2.272 2.978 . 0 0 "[ . 1 . ]" 2
408 1 113 TYR HA 1 116 CYS HB3 4.800 . 6.000 4.635 3.330 5.817 . 0 0 "[ . 1 . ]" 2
409 1 115 ASP QB 1 116 CYS HB2 4.100 . 6.000 4.877 4.306 5.371 . 0 0 "[ . 1 . ]" 2
410 1 115 ASP QB 1 116 CYS HB3 4.500 . 6.000 4.162 4.006 4.406 . 0 0 "[ . 1 . ]" 2
411 1 116 CYS HB2 1 120 LYS HG3 6.000 . 6.000 5.358 3.965 6.029 0.029 16 0 "[ . 1 . ]" 2
412 1 72 TYR HB2 1 75 ILE MD 5.500 . 6.000 4.720 4.296 5.020 . 0 0 "[ . 1 . ]" 2
413 1 98 GLU QG 1 99 ASN HA 4.400 . 6.000 5.684 3.483 5.929 . 0 0 "[ . 1 . ]" 2
414 1 72 TYR HA 1 72 TYR HB2 3.000 . 4.100 3.016 2.995 3.030 . 0 0 "[ . 1 . ]" 2
415 1 72 TYR HB2 1 73 LYS HA 3.800 . 5.600 4.506 4.208 4.712 . 0 0 "[ . 1 . ]" 2
416 1 72 TYR HB3 1 73 LYS HA 5.900 . 6.000 4.469 4.294 4.675 . 0 0 "[ . 1 . ]" 2
417 1 69 GLU HA 1 72 TYR HB3 3.600 . 5.300 4.912 4.336 5.328 0.028 6 0 "[ . 1 . ]" 2
418 1 69 GLU HA 1 72 TYR HB2 3.100 . 4.300 3.339 2.805 3.773 . 0 0 "[ . 1 . ]" 2
419 1 94 ASN HB2 1 98 GLU QG 4.300 . 6.000 5.424 4.837 6.268 0.268 13 0 "[ . 1 . ]" 2
420 1 72 TYR HB2 1 90 LYS HE2 4.500 . 6.000 4.073 3.514 5.848 . 0 0 "[ . 1 . ]" 2
421 1 72 TYR HB3 1 73 LYS QB 6.000 . 6.000 5.153 4.719 5.717 . 0 0 "[ . 1 . ]" 2
422 1 72 TYR HB2 1 73 LYS QB 5.900 . 6.000 4.406 4.111 4.794 . 0 0 "[ . 1 . ]" 2
423 1 72 TYR HB2 1 90 LYS HG3 6.000 . 6.000 5.208 4.792 6.686 0.686 6 1 "[ .+ 1 . ]" 2
424 1 52 ALA MB 1 106 GLU HG2 3.000 . 4.200 3.710 3.049 4.577 0.377 8 0 "[ . 1 . ]" 2
425 1 97 ILE MG 1 98 GLU QG 3.600 . 5.200 3.885 3.058 4.530 . 0 0 "[ . 1 . ]" 2
426 1 72 TYR HB2 1 90 LYS QD 4.300 . 6.000 5.289 3.625 5.627 . 0 0 "[ . 1 . ]" 2
427 1 72 TYR HB3 1 90 LYS HG2 5.000 . 6.000 4.087 3.349 4.604 . 0 0 "[ . 1 . ]" 2
428 1 55 MET HA 1 55 MET HB3 2.800 . 3.800 2.446 2.387 2.515 . 0 0 "[ . 1 . ]" 2
429 1 55 MET HA 1 55 MET HB2 2.900 . 4.000 3.023 3.015 3.029 . 0 0 "[ . 1 . ]" 2
430 1 55 MET HB2 1 56 LYS HE3 4.800 . 6.000 5.890 4.692 6.758 0.758 11 3 "[ . * 1+ -. ]" 2
431 1 55 MET HB3 1 55 MET HG2 2.900 . 3.900 2.508 2.407 3.009 . 0 0 "[ . 1 . ]" 2
432 1 55 MET HB2 1 60 MET HB2 4.700 . 6.000 5.759 5.338 6.387 0.387 3 0 "[ . 1 . ]" 2
433 1 55 MET HB2 1 61 LEU QD 3.600 . 5.300 2.641 2.260 3.108 . 0 0 "[ . 1 . ]" 2
434 1 55 MET HB3 1 61 LEU QD 3.300 . 4.600 3.347 2.793 3.853 . 0 0 "[ . 1 . ]" 2
435 1 46 GLN HA 1 46 GLN HG2 2.900 . 3.900 3.263 2.648 3.697 . 0 0 "[ . 1 . ]" 2
436 1 46 GLN HA 1 46 GLN HG3 2.600 . 3.500 3.278 2.700 3.642 0.142 10 0 "[ . 1 . ]" 2
437 1 60 MET HB2 1 67 TYR HB2 5.800 . 6.000 4.098 2.504 4.891 . 0 0 "[ . 1 . ]" 2
438 1 46 GLN QB 1 46 GLN HG3 2.000 . 2.500 2.222 2.140 2.320 . 0 0 "[ . 1 . ]" 2
439 1 27 ILE QG 1 46 GLN HG3 3.600 . 5.200 4.223 2.752 5.574 0.374 3 0 "[ . 1 . ]" 2
440 1 84 ASP HA 1 87 GLN QG 2.600 . 3.500 2.660 2.177 3.205 . 0 0 "[ . 1 . ]" 2
441 1 87 GLN QB 1 87 GLN HG2 1.800 . 2.200 2.298 2.150 2.399 0.199 12 0 "[ . 1 . ]" 2
442 1 62 LYS QB 1 62 LYS HD2 2.600 . 3.400 3.102 2.078 3.350 . 0 0 "[ . 1 . ]" 2
443 1 27 ILE MD 1 46 GLN HG2 2.700 . 6.000 4.452 1.996 6.052 0.052 16 0 "[ . 1 . ]" 2
444 1 120 LYS HA 1 120 LYS HB3 2.300 . 2.900 2.455 2.386 2.534 . 0 0 "[ . 1 . ]" 2
445 1 120 LYS HA 1 120 LYS HB2 2.900 . 4.000 3.016 3.009 3.021 . 0 0 "[ . 1 . ]" 2
446 1 87 GLN HA 1 87 GLN HG3 3.200 . 4.500 3.390 3.110 3.782 . 0 0 "[ . 1 . ]" 2
447 1 3 GLN HA 1 3 GLN QG 2.700 . 3.600 2.826 2.353 3.494 . 0 0 "[ . 1 . ]" 2
448 1 120 LYS HB2 1 120 LYS HE3 5.200 . 6.000 4.579 4.141 4.844 . 0 0 "[ . 1 . ]" 2
449 1 92 ILE QG 1 120 LYS HB2 3.200 . 4.500 3.559 2.805 3.946 . 0 0 "[ . 1 . ]" 2
450 1 92 ILE MD 1 120 LYS HB2 2.900 . 4.000 2.619 2.070 3.092 . 0 0 "[ . 1 . ]" 2
451 1 100 ALA HA 1 112 LYS HB2 2.800 . 3.800 2.625 2.104 3.605 . 0 0 "[ . 1 . ]" 2
452 1 52 ALA HA 1 55 MET HG3 4.200 . 6.000 2.226 1.923 2.839 0.077 14 0 "[ . 1 . ]" 2
453 1 112 LYS HA 1 112 LYS HB2 3.000 . 4.100 2.987 2.520 3.027 . 0 0 "[ . 1 . ]" 2
454 1 68 VAL HA 1 68 VAL HB 2.400 . 3.100 2.560 2.437 3.022 . 0 0 "[ . 1 . ]" 2
455 1 74 MET HA 1 74 MET HG2 3.100 . 4.300 3.527 2.688 4.234 . 0 0 "[ . 1 . ]" 2
456 1 109 ILE HA 1 112 LYS HB3 3.800 . 5.600 4.895 4.235 5.698 0.098 11 0 "[ . 1 . ]" 2
457 1 103 GLU QG 1 112 LYS HB3 4.200 . 6.000 4.566 3.715 5.205 . 0 0 "[ . 1 . ]" 2
458 1 71 VAL MG1 1 74 MET HG3 4.700 . 6.000 3.609 2.775 5.037 . 0 0 "[ . 1 . ]" 2
459 1 109 ILE MG 1 112 LYS HB3 4.600 . 6.000 5.743 4.958 6.262 0.262 11 0 "[ . 1 . ]" 2
460 1 112 LYS HA 1 112 LYS HB3 2.300 . 3.000 2.522 2.370 2.605 . 0 0 "[ . 1 . ]" 2
461 1 112 LYS HB2 1 112 LYS QE 4.600 . 6.000 4.037 2.900 4.528 . 0 0 "[ . 1 . ]" 2
462 1 112 LYS HB3 1 112 LYS QE 4.600 . 6.000 3.690 2.016 4.492 . 0 0 "[ . 1 . ]" 2
463 1 74 MET HB2 1 74 MET HG3 2.400 . 3.100 2.473 2.345 2.965 . 0 0 "[ . 1 . ]" 2
464 1 112 LYS HB3 1 112 LYS HG3 2.000 . 2.500 2.619 2.472 3.010 0.510 2 3 "[ + . 1- .* ]" 2
465 1 70 PRO HA 1 70 PRO HB3 2.300 . 3.000 2.285 2.269 2.305 . 0 0 "[ . 1 . ]" 2
466 1 39 LYS HA 1 39 LYS QB 2.100 . 2.600 2.372 2.152 2.532 . 0 0 "[ . 1 . ]" 2
467 1 77 VAL HA 1 77 VAL HB 2.800 . 3.800 3.021 3.017 3.024 . 0 0 "[ . 1 . ]" 2
468 1 6 VAL HA 1 9 LYS HB2 2.900 . 3.900 3.480 3.148 3.934 0.034 17 0 "[ . 1 . ]" 2
469 1 70 PRO HB2 1 71 VAL HA 4.000 . 6.000 4.067 3.821 4.229 . 0 0 "[ . 1 . ]" 2
470 1 55 MET HA 1 55 MET HG2 3.000 . 4.100 2.596 2.431 3.273 . 0 0 "[ . 1 . ]" 2
471 1 70 PRO HB3 1 70 PRO HD2 3.500 . 5.000 3.890 3.868 3.919 . 0 0 "[ . 1 . ]" 2
472 1 70 PRO HB2 1 70 PRO HD2 3.400 . 4.900 3.971 2.994 4.051 . 0 0 "[ . 1 . ]" 2
473 1 11 MET HB2 1 11 MET QG 2.300 . 2.900 2.274 2.154 2.373 . 0 0 "[ . 1 . ]" 2
474 1 70 PRO HB2 1 70 PRO HG3 2.800 . 3.700 2.693 2.663 2.992 . 0 0 "[ . 1 . ]" 2
475 1 77 VAL HB 1 77 VAL MG2 2.300 . 3.000 2.129 2.128 2.130 . 0 0 "[ . 1 . ]" 2
476 1 70 PRO HB2 1 71 VAL MG1 4.700 . 6.000 5.338 3.740 5.670 . 0 0 "[ . 1 . ]" 2
477 1 7 VAL MG1 1 11 MET QG 2.500 . 6.000 3.492 2.341 4.577 . 0 0 "[ . 1 . ]" 2
478 1 9 LYS HB3 1 78 VAL MG1 3.100 . 4.300 2.516 1.956 3.396 . 0 0 "[ . 1 . ]" 2
479 1 56 LYS HA 1 56 LYS QB 2.400 . 3.100 2.263 2.137 2.378 . 0 0 "[ . 1 . ]" 2
480 1 56 LYS QB 1 56 LYS HE3 3.500 . 5.100 2.925 1.993 4.240 . 0 0 "[ . 1 . ]" 2
481 1 44 MET QG 1 111 ASN QB 2.500 . 3.300 3.239 3.004 3.351 0.051 14 0 "[ . 1 . ]" 2
482 1 19 MET HB2 1 19 MET HG2 2.500 . 3.300 2.779 2.410 3.010 . 0 0 "[ . 1 . ]" 2
483 1 9 LYS HB3 1 78 VAL HB 3.500 . 5.000 4.388 4.178 4.627 . 0 0 "[ . 1 . ]" 2
484 1 56 LYS QB 1 61 LEU QB 2.800 . 3.800 3.253 1.919 3.755 . 0 0 "[ . 1 . ]" 2
485 1 56 LYS HB3 1 61 LEU QD 3.700 . 5.400 3.897 2.385 4.785 . 0 0 "[ . 1 . ]" 2
486 1 65 GLU HA 1 65 GLU QB 2.400 . 2.700 2.371 2.315 2.495 . 0 0 "[ . 1 . ]" 2
487 1 88 LEU HA 1 90 LYS QB 4.000 . 6.000 4.744 4.364 5.364 . 0 0 "[ . 1 . ]" 2
488 1 75 ILE HA 1 78 VAL HB 3.100 . 4.300 2.293 1.925 3.996 . 0 0 "[ . 1 . ]" 2
489 1 78 VAL HB 1 79 HIS HB2 3.700 . 6.000 4.702 4.446 5.729 . 0 0 "[ . 1 . ]" 2
490 1 44 MET HB2 1 44 MET QG 3.700 . 5.400 2.344 2.279 2.505 . 0 0 "[ . 1 . ]" 2
491 1 90 LYS QB 1 90 LYS QD 2.800 . 3.100 2.146 2.085 2.341 . 0 0 "[ . 1 . ]" 2
492 1 90 LYS QB 1 90 LYS HG2 2.400 . 3.100 2.194 2.133 2.487 . 0 0 "[ . 1 . ]" 2
493 1 44 MET HB3 1 47 LEU QB 4.600 . 6.000 4.545 3.489 5.516 . 0 0 "[ . 1 . ]" 2
494 1 76 GLU HA 1 86 ILE HG13 6.000 . 6.000 4.104 3.843 4.410 . 0 0 "[ . 1 . ]" 2
495 1 54 VAL HB 1 54 VAL QG 2.000 . 2.500 1.896 1.895 1.897 . 0 0 "[ . 1 . ]" 2
496 1 79 HIS HA 1 86 ILE HG12 4.300 . 6.000 5.215 4.781 5.723 . 0 0 "[ . 1 . ]" 2
497 1 83 ALA HA 1 86 ILE HG12 4.400 . 6.000 5.142 4.932 5.483 . 0 0 "[ . 1 . ]" 2
498 1 16 PRO HB3 1 16 PRO QD 3.400 . 4.800 3.030 2.830 3.534 . 0 0 "[ . 1 . ]" 2
499 1 79 HIS HB2 1 86 ILE HG13 3.300 . 6.000 3.195 2.706 3.637 . 0 0 "[ . 1 . ]" 2
500 1 79 HIS HB3 1 86 ILE HG13 2.900 . 4.000 3.649 3.361 4.001 0.001 17 0 "[ . 1 . ]" 2
501 1 86 ILE HB 1 86 ILE HG13 2.100 . 2.700 2.518 2.480 2.570 . 0 0 "[ . 1 . ]" 2
502 1 86 ILE MD 1 86 ILE HG13 2.300 . 3.000 2.120 2.119 2.121 . 0 0 "[ . 1 . ]" 2
503 1 86 ILE MD 1 86 ILE HG12 2.300 . 2.900 2.118 2.117 2.120 . 0 0 "[ . 1 . ]" 2
504 1 8 ALA HA 1 11 MET HB2 3.000 . 4.100 3.704 2.938 4.488 0.388 17 0 "[ . 1 . ]" 2
505 1 103 GLU QB 1 109 ILE HA 3.000 . 4.100 2.635 2.182 3.208 . 0 0 "[ . 1 . ]" 2
506 1 20 PRO HB2 1 20 PRO HG2 2.200 . 2.800 2.327 2.306 2.335 . 0 0 "[ . 1 . ]" 2
507 1 74 MET HA 1 74 MET HB3 2.600 . 3.500 2.393 2.323 2.491 . 0 0 "[ . 1 . ]" 2
508 1 109 ILE HA 1 109 ILE HG12 2.400 . 3.100 2.513 2.295 2.684 . 0 0 "[ . 1 . ]" 2
509 1 100 ALA MB 1 109 ILE HG12 3.300 . 6.000 4.264 2.802 5.533 . 0 0 "[ . 1 . ]" 2
510 1 75 ILE MD 1 75 ILE HG13 2.300 . 2.900 2.091 2.090 2.093 . 0 0 "[ . 1 . ]" 2
511 1 109 ILE MD 1 109 ILE HG12 2.200 . 2.800 2.117 2.116 2.119 . 0 0 "[ . 1 . ]" 2
512 1 108 ASN HA 1 108 ASN HB2 2.800 . 3.800 2.762 2.472 3.023 . 0 0 "[ . 1 . ]" 2
513 1 108 ASN HA 1 108 ASN HB3 2.700 . 3.600 2.805 2.510 3.028 . 0 0 "[ . 1 . ]" 2
514 1 7 VAL HA 1 11 MET HB2 3.300 . 4.700 4.301 3.901 4.719 0.019 4 0 "[ . 1 . ]" 2
515 1 16 PRO HB2 1 16 PRO HG2 2.500 . 3.300 2.321 2.308 2.333 . 0 0 "[ . 1 . ]" 2
516 1 57 ARG HA 1 57 ARG HB3 2.700 . 3.600 2.820 2.417 3.026 . 0 0 "[ . 1 . ]" 2
517 1 20 PRO HB2 1 20 PRO HD2 2.500 . 6.000 3.004 2.901 3.107 . 0 0 "[ . 1 . ]" 2
518 1 86 ILE HA 1 89 VAL HB 4.700 . 6.000 4.037 3.363 5.704 . 0 0 "[ . 1 . ]" 2
519 1 11 MET HB3 1 11 MET QG 3.300 . 4.700 2.296 2.159 2.448 . 0 0 "[ . 1 . ]" 2
520 1 103 GLU QB 1 109 ILE HG13 2.000 . 2.500 2.100 1.799 2.380 . 0 0 "[ . 1 . ]" 2
521 1 103 GLU QG 1 109 ILE HG12 3.300 . 4.700 3.735 3.249 4.473 . 0 0 "[ . 1 . ]" 2
522 1 103 GLU QB 1 109 ILE HG12 4.000 . 6.000 2.397 1.750 3.268 0.250 7 0 "[ . 1 . ]" 2
523 1 75 ILE MD 1 75 ILE HG12 2.200 . 2.800 1.965 1.945 1.990 . 0 0 "[ . 1 . ]" 2
524 1 109 ILE MD 1 109 ILE HG13 2.300 . 3.000 2.118 2.114 2.119 . 0 0 "[ . 1 . ]" 2
525 1 74 MET HB3 1 78 VAL MG2 3.600 . 5.200 3.326 2.189 4.666 . 0 0 "[ . 1 . ]" 2
526 1 74 MET HB2 1 78 VAL MG2 5.400 . 6.000 2.422 1.892 3.321 . 0 0 "[ . 1 . ]" 2
527 1 57 ARG HA 1 57 ARG QG 3.000 . 4.100 2.713 2.398 2.988 . 0 0 "[ . 1 . ]" 2
528 1 12 GLU HA 1 12 GLU QB 2.000 . 2.500 2.356 2.320 2.392 . 0 0 "[ . 1 . ]" 2
529 1 18 ILE HA 1 18 ILE QG 2.900 . 4.000 2.314 2.214 2.463 . 0 0 "[ . 1 . ]" 2
530 1 18 ILE QG 1 57 ARG QG 2.500 . 6.000 5.161 4.025 5.604 . 0 0 "[ . 1 . ]" 2
531 1 95 GLU HA 1 95 GLU HB2 2.400 . 3.100 2.658 2.448 3.030 . 0 0 "[ . 1 . ]" 2
532 1 90 LYS QD 1 90 LYS HE3 2.500 . 3.300 2.244 2.156 2.347 . 0 0 "[ . 1 . ]" 2
533 1 90 LYS QD 1 90 LYS HG3 2.300 . 2.900 2.275 2.200 2.347 . 0 0 "[ . 1 . ]" 2
534 1 56 LYS HA 1 56 LYS QD 3.100 . 4.300 4.116 3.864 4.436 0.136 10 0 "[ . 1 . ]" 2
535 1 76 GLU HB3 1 77 VAL MG2 5.300 . 6.000 3.340 3.138 3.543 . 0 0 "[ . 1 . ]" 2
536 1 62 LYS HA 1 62 LYS HD2 3.500 . 5.000 3.928 2.100 4.300 . 0 0 "[ . 1 . ]" 2
537 1 100 ALA HA 1 112 LYS QD 2.800 . 3.700 3.473 1.982 3.740 0.040 15 0 "[ . 1 . ]" 2
538 1 28 SER HA 1 29 GLU QB 3.500 . 5.000 4.519 4.144 5.065 0.065 14 0 "[ . 1 . ]" 2
539 1 98 GLU HA 1 98 GLU QB 2.100 . 2.600 2.360 2.176 2.411 . 0 0 "[ . 1 . ]" 2
540 1 62 LYS HD2 1 62 LYS QG 2.100 . 2.600 2.232 2.152 2.529 . 0 0 "[ . 1 . ]" 2
541 1 60 MET ME 1 97 ILE HG13 3.300 . 6.000 5.210 4.152 6.299 0.299 17 0 "[ . 1 . ]" 2
542 1 29 GLU QB 1 47 LEU MD2 2.500 . 6.000 3.568 1.739 5.972 . 0 0 "[ . 1 . ]" 2
543 1 46 GLN HA 1 46 GLN QB 2.100 . 2.700 2.450 2.390 2.529 . 0 0 "[ . 1 . ]" 2
544 1 9 LYS HA 1 9 LYS QD 2.500 . 3.300 2.321 1.908 3.399 0.099 8 0 "[ . 1 . ]" 2
545 1 120 LYS HA 1 120 LYS QD 2.900 . 3.900 3.261 2.080 3.936 0.036 10 0 "[ . 1 . ]" 2
546 1 97 ILE HA 1 97 ILE HG12 4.100 . 6.000 2.651 2.497 3.591 . 0 0 "[ . 1 . ]" 2
547 1 90 LYS HA 1 92 ILE QG 4.600 . 6.000 5.604 5.320 5.781 . 0 0 "[ . 1 . ]" 2
548 1 120 LYS QD 1 120 LYS HE2 2.300 . 3.000 2.303 2.172 2.376 . 0 0 "[ . 1 . ]" 2
549 1 98 GLU QB 1 98 GLU QG 1.900 . 2.300 2.059 1.990 2.087 . 0 0 "[ . 1 . ]" 2
550 1 97 ILE HG12 1 97 ILE MG 2.600 . 3.400 2.340 2.242 2.380 . 0 0 "[ . 1 . ]" 2
551 1 97 ILE MD 1 97 ILE HG13 2.400 . 3.100 2.119 2.117 2.122 . 0 0 "[ . 1 . ]" 2
552 1 92 ILE MD 1 120 LYS QD 3.000 . 6.000 3.406 1.999 4.732 . 0 0 "[ . 1 . ]" 2
553 1 20 PRO QG 1 21 CYS HA 2.700 . 6.000 5.656 5.406 5.781 . 0 0 "[ . 1 . ]" 2
554 1 70 PRO HD3 1 70 PRO HG2 2.700 . 3.600 2.966 2.708 2.994 . 0 0 "[ . 1 . ]" 2
555 1 70 PRO HB3 1 70 PRO HG3 2.500 . 3.300 2.315 2.299 2.323 . 0 0 "[ . 1 . ]" 2
556 1 95 GLU HG3 1 120 LYS QD 4.700 . 6.000 4.064 2.541 5.387 . 0 0 "[ . 1 . ]" 2
557 1 97 ILE HG13 1 97 ILE MG 3.500 . 5.000 3.158 2.489 3.207 . 0 0 "[ . 1 . ]" 2
558 1 27 ILE MD 1 46 GLN QB 2.700 . 6.000 4.098 1.801 5.428 . 0 0 "[ . 1 . ]" 2
559 1 20 PRO HA 1 20 PRO QG 2.400 . 3.100 2.850 2.789 3.068 . 0 0 "[ . 1 . ]" 2
560 1 12 GLU HA 1 15 MET HB3 3.400 . 4.800 3.372 2.718 3.879 . 0 0 "[ . 1 . ]" 2
561 1 15 MET HB3 1 15 MET HG3 2.700 . 3.600 2.854 2.459 3.008 . 0 0 "[ . 1 . ]" 2
562 1 15 MET HB2 1 15 MET HG3 2.600 . 3.500 2.460 2.347 3.000 . 0 0 "[ . 1 . ]" 2
563 1 15 MET HB3 1 15 MET ME 2.500 . 3.300 2.332 1.973 3.346 0.046 7 0 "[ . 1 . ]" 2
564 1 88 LEU HB3 1 92 ILE QG 2.900 . 6.000 4.516 4.287 4.747 . 0 0 "[ . 1 . ]" 2
565 1 92 ILE QG 1 120 LYS HB2 2.900 . 4.000 3.478 2.611 3.822 . 0 0 "[ . 1 . ]" 2
566 1 20 PRO HD3 1 20 PRO QG 2.200 . 2.800 2.181 2.176 2.186 . 0 0 "[ . 1 . ]" 2
567 1 20 PRO HD2 1 20 PRO QG 2.200 . 2.800 2.225 2.207 2.247 . 0 0 "[ . 1 . ]" 2
568 1 20 PRO HB2 1 20 PRO QG 2.200 . 2.800 2.251 2.233 2.258 . 0 0 "[ . 1 . ]" 2
569 1 90 LYS QD 1 90 LYS HG2 3.400 . 4.900 2.396 2.153 2.488 . 0 0 "[ . 1 . ]" 2
570 1 90 LYS HG3 1 91 GLY QA 6.000 . 6.000 5.564 4.730 5.931 . 0 0 "[ . 1 . ]" 2
571 1 90 LYS HA 1 90 LYS HG3 2.600 . 3.400 2.307 2.035 3.771 0.371 6 0 "[ . 1 . ]" 2
572 1 21 CYS HB3 1 50 LEU HG 6.000 . 6.000 5.098 4.144 5.976 . 0 0 "[ . 1 . ]" 2
573 1 50 LEU QB 1 50 LEU HG 2.900 . 3.900 2.231 2.143 2.525 . 0 0 "[ . 1 . ]" 2
574 1 90 LYS HE3 1 90 LYS HG3 2.700 . 3.600 3.278 2.661 3.906 0.306 3 0 "[ . 1 . ]" 2
575 1 90 LYS HE3 1 90 LYS HG2 3.500 . 5.000 3.326 2.678 3.708 . 0 0 "[ . 1 . ]" 2
576 1 90 LYS HE2 1 90 LYS HG2 2.800 . 3.800 2.689 2.335 3.635 . 0 0 "[ . 1 . ]" 2
577 1 75 ILE MD 1 90 LYS HG3 2.800 . 6.000 2.635 1.906 3.742 . 0 0 "[ . 1 . ]" 2
578 1 50 LEU QD 1 50 LEU HG 1.900 . 2.300 1.889 1.882 1.893 . 0 0 "[ . 1 . ]" 2
579 1 25 LEU HA 1 25 LEU HG 2.900 . 4.000 3.136 2.689 3.475 . 0 0 "[ . 1 . ]" 2
580 1 50 LEU HA 1 50 LEU HG 3.000 . 4.100 3.505 2.219 3.741 . 0 0 "[ . 1 . ]" 2
581 1 27 ILE QG 1 32 ALA HA 3.600 . 5.200 3.824 2.161 4.934 . 0 0 "[ . 1 . ]" 2
582 1 24 GLU HG2 1 25 LEU HG 4.800 . 6.000 4.410 2.540 5.703 . 0 0 "[ . 1 . ]" 2
583 1 61 LEU QD 1 61 LEU HG 2.100 . 2.600 1.894 1.892 1.896 . 0 0 "[ . 1 . ]" 2
584 1 79 HIS HA 1 79 HIS HB2 2.800 . 3.800 3.023 3.014 3.030 . 0 0 "[ . 1 . ]" 2
585 1 79 HIS HA 1 79 HIS HB3 3.000 . 4.100 2.509 2.455 2.560 . 0 0 "[ . 1 . ]" 2
586 1 44 MET HA 1 47 LEU HG 6.000 . 6.000 4.372 2.025 6.081 0.081 13 0 "[ . 1 . ]" 2
587 1 21 CYS HB3 1 25 LEU HG 6.000 . 6.000 4.607 3.470 5.835 . 0 0 "[ . 1 . ]" 2
588 1 14 LEU MD1 1 14 LEU HG 3.100 . 4.300 2.125 2.122 2.127 . 0 0 "[ . 1 . ]" 2
589 1 47 LEU MD1 1 47 LEU HG 2.200 . 2.800 2.122 2.110 2.128 . 0 0 "[ . 1 . ]" 2
590 1 79 HIS HB2 1 86 ILE MD 5.300 . 6.000 3.749 3.388 4.094 . 0 0 "[ . 1 . ]" 2
591 1 1 ILE MD 1 79 HIS HB3 3.000 . 6.000 4.721 3.211 5.874 . 0 0 "[ . 1 . ]" 2
592 1 66 LEU QD 1 66 LEU HG 2.200 . 2.800 1.889 1.868 1.897 . 0 0 "[ . 1 . ]" 2
593 1 79 HIS HB2 1 86 ILE HG12 2.700 . 3.600 2.453 2.153 2.919 . 0 0 "[ . 1 . ]" 2
594 1 79 HIS HB3 1 86 ILE HG12 3.100 . 4.300 3.696 3.097 4.067 . 0 0 "[ . 1 . ]" 2
595 1 1 ILE HB 1 1 ILE HG13 2.800 . 3.800 2.614 2.445 3.024 . 0 0 "[ . 1 . ]" 2
596 1 120 LYS HA 1 120 LYS HG3 2.500 . 3.300 2.978 2.352 3.840 0.540 14 2 "[- . 1 +. ]" 2
597 1 66 LEU QD 1 97 ILE HA 2.900 . 4.000 2.898 2.062 3.919 . 0 0 "[ . 1 . ]" 2
598 1 1 ILE HA 1 1 ILE HG12 3.200 . 4.500 3.680 2.692 4.208 . 0 0 "[ . 1 . ]" 2
599 1 120 LYS HE3 1 120 LYS HG2 2.700 . 3.600 3.106 2.405 3.751 0.151 10 0 "[ . 1 . ]" 2
600 1 66 LEU QD 1 113 TYR QB 3.600 . 5.300 2.974 2.476 3.805 . 0 0 "[ . 1 . ]" 2
601 1 66 LEU QD 1 101 LYS QB 4.500 . 6.000 4.404 2.990 5.316 . 0 0 "[ . 1 . ]" 2
602 1 1 ILE HG12 1 1 ILE MG 2.200 . 6.000 2.377 2.174 3.205 . 0 0 "[ . 1 . ]" 2
603 1 66 LEU MD1 1 66 LEU MD2 2.100 . 6.000 2.081 2.056 2.090 . 0 0 "[ . 1 . ]" 2
604 1 92 ILE MD 1 120 LYS HG2 3.200 . 4.500 3.859 2.845 5.118 0.618 1 2 "[+ . - 1 . ]" 2
605 1 26 HIS HA 1 26 HIS HB3 2.900 . 4.000 2.808 2.263 3.027 . 0 0 "[ . 1 . ]" 2
606 1 26 HIS HA 1 26 HIS HB2 2.600 . 3.400 2.583 2.494 2.699 . 0 0 "[ . 1 . ]" 2
607 1 69 GLU HA 1 69 GLU HB2 3.000 . 4.100 3.021 3.007 3.025 . 0 0 "[ . 1 . ]" 2
608 1 69 GLU HA 1 69 GLU HB3 2.800 . 3.800 2.479 2.422 2.577 . 0 0 "[ . 1 . ]" 2
609 1 69 GLU HB2 1 70 PRO HD2 3.000 . 4.100 2.779 2.491 3.238 . 0 0 "[ . 1 . ]" 2
610 1 69 GLU HB3 1 70 PRO HD2 4.600 . 6.000 4.109 3.859 4.487 . 0 0 "[ . 1 . ]" 2
611 1 69 GLU HB3 1 70 PRO HD3 3.500 . 5.000 3.393 3.099 3.531 . 0 0 "[ . 1 . ]" 2
612 1 67 TYR HB3 1 69 GLU HB2 5.700 . 6.000 3.811 3.440 4.180 . 0 0 "[ . 1 . ]" 2
613 1 14 LEU HB2 1 14 LEU MD2 3.000 . 4.100 3.166 2.729 3.202 . 0 0 "[ . 1 . ]" 2
614 1 69 GLU HB2 1 70 PRO HG2 4.100 . 6.000 4.693 4.532 4.793 . 0 0 "[ . 1 . ]" 2
615 1 26 HIS HB3 1 27 ILE QG 4.900 . 6.000 3.300 2.095 5.528 . 0 0 "[ . 1 . ]" 2
616 1 58 ILE HA 1 58 ILE HG12 4.200 . 6.000 3.733 3.681 3.773 . 0 0 "[ . 1 . ]" 2
617 1 52 ALA HA 1 61 LEU QD 3.000 . 6.000 3.844 3.247 4.267 . 0 0 "[ . 1 . ]" 2
618 1 50 LEU HA 1 50 LEU QD 2.900 . 3.300 2.032 1.758 2.926 0.042 2 0 "[ . 1 . ]" 2
619 1 59 GLU HA 1 59 GLU HB2 2.700 . 3.600 2.985 2.451 3.023 . 0 0 "[ . 1 . ]" 2
620 1 59 GLU HA 1 59 GLU HB3 2.400 . 3.100 2.504 2.416 2.554 . 0 0 "[ . 1 . ]" 2
621 1 21 CYS HB3 1 50 LEU QD . . 3.400 2.524 2.030 3.323 . 0 0 "[ . 1 . ]" 2
622 1 59 GLU HB2 1 70 PRO HB3 3.800 . 5.600 3.892 3.081 4.638 . 0 0 "[ . 1 . ]" 2
623 1 59 GLU HB3 1 70 PRO HB3 3.800 . 5.600 5.116 4.156 5.606 0.006 12 0 "[ . 1 . ]" 2
624 1 58 ILE HG12 1 70 PRO HB3 6.000 . 6.000 5.838 4.910 6.363 0.363 11 0 "[ . 1 . ]" 2
625 1 58 ILE HB 1 58 ILE HG13 2.700 . 3.600 2.496 2.467 2.505 . 0 0 "[ . 1 . ]" 2
626 1 58 ILE HB 1 58 ILE HG12 2.900 . 3.900 3.027 3.025 3.028 . 0 0 "[ . 1 . ]" 2
627 1 59 GLU HB2 1 70 PRO HG3 3.500 . 5.100 3.690 3.358 4.340 . 0 0 "[ . 1 . ]" 2
628 1 59 GLU HB2 1 70 PRO HG2 4.000 . 6.000 5.298 4.394 6.031 0.031 9 0 "[ . 1 . ]" 2
629 1 58 ILE HG12 1 58 ILE MG 2.400 . 6.000 2.358 2.343 2.375 . 0 0 "[ . 1 . ]" 2
630 1 58 ILE MD 1 58 ILE HG13 2.300 . 2.900 2.120 2.119 2.121 . 0 0 "[ . 1 . ]" 2
631 1 58 ILE MD 1 58 ILE HG12 2.300 . 2.900 2.118 2.117 2.119 . 0 0 "[ . 1 . ]" 2
632 1 61 LEU MD1 1 61 LEU MD2 2.200 . 2.800 2.084 2.067 2.088 . 0 0 "[ . 1 . ]" 2
633 1 61 LEU QD 1 66 LEU QD 2.600 . 6.000 2.311 1.699 3.947 . 0 0 "[ . 1 . ]" 2
634 1 112 LYS HA 1 112 LYS HG3 3.400 . 4.900 3.519 2.329 3.795 . 0 0 "[ . 1 . ]" 2
635 1 112 LYS HA 1 112 LYS HG2 2.700 . 3.600 2.900 2.404 4.168 0.568 17 1 "[ . 1 . +]" 2
636 1 112 LYS QE 1 112 LYS HG3 2.700 . 3.600 2.756 2.355 3.520 . 0 0 "[ . 1 . ]" 2
637 1 112 LYS QE 1 112 LYS HG2 2.500 . 3.300 2.542 2.189 2.956 . 0 0 "[ . 1 . ]" 2
638 1 56 LYS HE2 1 56 LYS HG2 2.900 . 4.000 3.399 2.292 4.145 0.145 12 0 "[ . 1 . ]" 2
639 1 58 ILE HG12 1 60 MET HB3 4.800 . 6.000 3.514 3.130 4.144 . 0 0 "[ . 1 . ]" 2
640 1 103 GLU QG 1 112 LYS HG3 3.400 . 4.800 3.173 2.216 5.200 0.400 5 0 "[ . 1 . ]" 2
641 1 103 GLU HG3 1 112 LYS HG3 3.800 . 5.600 3.410 2.347 5.667 0.067 5 0 "[ . 1 . ]" 2
642 1 55 MET ME 1 66 LEU QD 3.000 . 6.000 3.630 2.373 5.075 . 0 0 "[ . 1 . ]" 2
643 1 60 MET ME 1 66 LEU QD 3.000 . 6.000 3.245 2.045 4.490 . 0 0 "[ . 1 . ]" 2
644 1 58 ILE HG13 1 58 ILE MG 3.500 . 5.100 3.205 3.200 3.209 . 0 0 "[ . 1 . ]" 2
645 1 56 LYS HA 1 56 LYS HG3 3.300 . 4.600 3.331 2.576 3.734 . 0 0 "[ . 1 . ]" 2
646 1 21 CYS HA 1 25 LEU MD1 4.100 . 6.000 4.759 3.410 5.900 . 0 0 "[ . 1 . ]" 2
647 1 9 LYS HA 1 9 LYS HG3 3.400 . 4.800 3.392 2.346 3.771 . 0 0 "[ . 1 . ]" 2
648 1 25 LEU MD1 1 53 CYS HB3 2.800 . 6.000 4.711 3.769 5.444 . 0 0 "[ . 1 . ]" 2
649 1 25 LEU MD1 1 49 CYS HB2 2.900 . 4.000 3.585 2.772 4.776 0.776 8 1 "[ . + 1 . ]" 2
650 1 56 LYS HE2 1 56 LYS HG3 3.700 . 5.400 2.862 2.410 4.221 . 0 0 "[ . 1 . ]" 2
651 1 21 CYS HB3 1 25 LEU MD1 3.800 . 5.600 3.791 2.073 5.438 . 0 0 "[ . 1 . ]" 2
652 1 24 GLU HB3 1 25 LEU MD1 4.100 . 6.000 3.926 2.688 4.835 . 0 0 "[ . 1 . ]" 2
653 1 56 LYS QB 1 56 LYS HG3 2.000 . 2.500 2.370 2.310 2.515 0.015 9 0 "[ . 1 . ]" 2
654 1 25 LEU QB 1 25 LEU MD1 2.500 . 3.300 2.095 2.037 2.113 . 0 0 "[ . 1 . ]" 2
655 1 56 LYS HG3 1 61 LEU QB 3.000 . 4.200 2.880 1.897 3.948 . 0 0 "[ . 1 . ]" 2
656 1 56 LYS HG2 1 61 LEU QB 2.600 . 3.500 2.217 1.742 3.089 . 0 0 "[ . 1 . ]" 2
657 1 56 LYS HG3 1 61 LEU QD 4.400 . 6.000 2.655 2.104 3.768 . 0 0 "[ . 1 . ]" 2
658 1 85 ASP HA 1 88 LEU MD2 3.600 . 5.200 3.680 3.326 4.380 . 0 0 "[ . 1 . ]" 2
659 1 25 LEU HA 1 25 LEU MD1 3.500 . 5.000 3.886 3.697 3.971 . 0 0 "[ . 1 . ]" 2
660 1 47 LEU HA 1 47 LEU MD1 3.300 . 4.700 2.934 2.081 3.924 . 0 0 "[ . 1 . ]" 2
661 1 9 LYS HG2 1 78 VAL HA 6.000 . 6.000 3.466 2.094 4.790 . 0 0 "[ . 1 . ]" 2
662 1 88 LEU HB3 1 88 LEU MD2 2.900 . 3.900 2.393 2.193 3.199 . 0 0 "[ . 1 . ]" 2
663 1 25 LEU MD1 1 25 LEU HG 2.300 . 3.000 2.124 2.115 2.129 . 0 0 "[ . 1 . ]" 2
664 1 42 ALA MB 1 47 LEU MD1 2.900 . 6.000 2.829 1.661 4.501 . 0 0 "[ . 1 . ]" 2
665 1 101 LYS HA 1 101 LYS HG2 2.500 . 3.300 3.511 2.296 4.177 0.877 11 7 "[ * . **+ -*.* ]" 2
666 1 121 LEU HA 1 121 LEU QD 3.200 . 4.500 2.084 1.837 3.123 0.063 9 0 "[ . 1 . ]" 2
667 1 101 LYS QE 1 101 LYS HG2 2.600 . 3.400 2.784 2.149 3.563 0.163 5 0 "[ . 1 . ]" 2
668 1 92 ILE MD 1 121 LEU QD 1.700 . 6.000 3.253 2.076 4.228 . 0 0 "[ . 1 . ]" 2
669 1 70 PRO HA 1 73 LYS QG 4.000 . 6.000 3.929 3.068 4.565 . 0 0 "[ . 1 . ]" 2
670 1 73 LYS HA 1 73 LYS QG 2.700 . 3.600 2.726 2.251 3.038 . 0 0 "[ . 1 . ]" 2
671 1 89 VAL HA 1 121 LEU QD 5.700 . 6.000 2.926 2.360 4.949 . 0 0 "[ . 1 . ]" 2
672 1 39 LYS QE 1 39 LYS QG 3.300 . 4.700 2.268 2.119 2.774 . 0 0 "[ . 1 . ]" 2
673 1 73 LYS QB 1 73 LYS QG 2.200 . 2.800 2.011 1.993 2.080 . 0 0 "[ . 1 . ]" 2
674 1 62 LYS HA 1 62 LYS QG 3.300 . 4.600 2.555 2.102 3.062 . 0 0 "[ . 1 . ]" 2
675 1 21 CYS HA 1 50 LEU QD 3.700 . 5.400 3.758 3.529 4.105 . 0 0 "[ . 1 . ]" 2
676 1 39 LYS QG 1 115 ASP HA 3.300 . 4.700 3.196 1.869 4.732 0.032 8 0 "[ . 1 . ]" 2
677 1 50 LEU QD 1 53 CYS HB3 3.800 . 5.600 3.522 2.826 4.661 . 0 0 "[ . 1 . ]" 2
678 1 85 ASP HA 1 88 LEU MD1 4.400 . 6.000 4.842 3.745 5.163 . 0 0 "[ . 1 . ]" 2
679 1 88 LEU HA 1 88 LEU MD1 2.700 . 3.600 2.323 2.030 3.622 0.022 9 0 "[ . 1 . ]" 2
680 1 7 VAL HA 1 7 VAL MG2 2.300 . 3.000 2.399 2.366 2.425 . 0 0 "[ . 1 . ]" 2
681 1 88 LEU HB2 1 88 LEU MD1 3.300 . 4.700 2.427 2.171 3.206 . 0 0 "[ . 1 . ]" 2
682 1 88 LEU MD1 1 88 LEU HG 2.400 . 3.100 2.126 2.123 2.127 . 0 0 "[ . 1 . ]" 2
683 1 88 LEU HB3 1 88 LEU MD1 3.700 . 5.400 3.028 2.330 3.200 . 0 0 "[ . 1 . ]" 2
684 1 61 LEU QD 1 64 THR HB 5.200 . 6.000 4.367 3.790 5.079 . 0 0 "[ . 1 . ]" 2
685 1 5 THR HA 1 6 VAL MG2 4.200 . 6.000 3.776 2.736 4.182 . 0 0 "[ . 1 . ]" 2
686 1 55 MET ME 1 61 LEU QD 4.000 . 6.000 3.167 1.873 4.368 0.127 7 0 "[ . 1 . ]" 2
687 1 56 LYS HG2 1 61 LEU QD 4.700 . 6.000 2.304 1.780 3.116 0.220 11 0 "[ . 1 . ]" 2
688 1 61 LEU QD 1 64 THR MG 5.000 . 6.000 3.823 3.341 4.302 . 0 0 "[ . 1 . ]" 2
689 1 89 VAL QG 1 90 LYS HA 4.300 . 6.000 3.457 2.892 3.860 . 0 0 "[ . 1 . ]" 2
690 1 75 ILE HA 1 89 VAL QG 4.000 . 6.000 3.782 3.488 4.120 . 0 0 "[ . 1 . ]" 2
691 1 75 ILE HG12 1 89 VAL QG 3.000 . 4.100 2.358 2.080 2.805 . 0 0 "[ . 1 . ]" 2
692 1 25 LEU HA 1 25 LEU MD2 3.000 . 4.100 2.399 2.079 3.358 . 0 0 "[ . 1 . ]" 2
693 1 25 LEU MD2 1 50 LEU HA 4.000 . 6.000 4.301 3.271 5.561 . 0 0 "[ . 1 . ]" 2
694 1 89 VAL HA 1 89 VAL QG 2.800 . 3.300 2.200 2.113 2.600 . 0 0 "[ . 1 . ]" 2
695 1 25 LEU MD2 1 49 CYS HB3 3.200 . 6.000 4.045 2.900 5.451 . 0 0 "[ . 1 . ]" 2
696 1 85 ASP QB 1 89 VAL QG 4.100 . 6.000 4.194 3.533 4.748 . 0 0 "[ . 1 . ]" 2
697 1 24 GLU HB2 1 25 LEU MD2 3.700 . 5.400 4.731 3.936 5.741 0.341 10 0 "[ . 1 . ]" 2
698 1 75 ILE HB 1 89 VAL QG 3.400 . 6.000 3.353 3.148 3.548 . 0 0 "[ . 1 . ]" 2
699 1 25 LEU QB 1 25 LEU MD2 2.500 . 3.300 2.256 2.068 2.403 . 0 0 "[ . 1 . ]" 2
700 1 89 VAL MG1 1 89 VAL MG2 2.800 . 3.800 2.089 2.083 2.095 . 0 0 "[ . 1 . ]" 2
701 1 85 ASP HA 1 89 VAL QG 3.900 . 5.800 4.030 3.458 4.279 . 0 0 "[ . 1 . ]" 2
702 1 89 VAL QG 1 121 LEU HA 5.100 . 6.000 4.488 2.836 5.267 . 0 0 "[ . 1 . ]" 2
703 1 75 ILE HA 1 78 VAL MG2 5.900 . 6.000 3.682 3.353 4.631 . 0 0 "[ . 1 . ]" 2
704 1 13 TYR HB2 1 78 VAL MG2 3.400 . 4.900 3.118 2.172 3.729 . 0 0 "[ . 1 . ]" 2
705 1 17 ASP QB 1 54 VAL QG 3.000 . 6.000 3.248 1.908 4.896 . 0 0 "[ . 1 . ]" 2
706 1 89 VAL QG 1 121 LEU QD 2.900 . 6.000 1.828 1.547 2.647 . 0 0 "[ . 1 . ]" 2
707 1 74 MET HA 1 77 VAL MG2 4.000 . 6.000 4.149 3.936 4.449 . 0 0 "[ . 1 . ]" 2
708 1 14 LEU MD1 1 58 ILE HB 2.600 . 6.000 4.397 3.846 6.101 0.101 3 0 "[ . 1 . ]" 2
709 1 78 VAL HB 1 78 VAL MG2 2.400 . 3.100 2.124 2.116 2.127 . 0 0 "[ . 1 . ]" 2
710 1 68 VAL QG 1 94 ASN HA 3.000 . 6.000 3.887 3.255 4.369 . 0 0 "[ . 1 . ]" 2
711 1 64 THR HB 1 64 THR MG 2.300 . 3.000 2.133 2.130 2.136 . 0 0 "[ . 1 . ]" 2
712 1 5 THR HA 1 5 THR MG 2.000 . 2.500 2.024 1.964 2.105 . 0 0 "[ . 1 . ]" 2
713 1 7 VAL HB 1 7 VAL MG1 2.100 . 2.700 2.129 2.127 2.131 . 0 0 "[ . 1 . ]" 2
714 1 77 VAL HA 1 77 VAL MG1 2.300 . 3.000 2.347 2.322 2.391 . 0 0 "[ . 1 . ]" 2
715 1 77 VAL MG1 1 78 VAL HA 2.900 . 6.000 3.705 3.534 3.869 . 0 0 "[ . 1 . ]" 2
716 1 9 LYS QE 1 77 VAL MG1 3.800 . 5.600 3.234 2.024 4.579 . 0 0 "[ . 1 . ]" 2
717 1 77 VAL HB 1 77 VAL MG1 2.100 . 2.700 2.128 2.127 2.130 . 0 0 "[ . 1 . ]" 2
718 1 77 VAL MG1 1 78 VAL MG2 3.500 . 6.000 4.078 3.858 4.664 . 0 0 "[ . 1 . ]" 2
719 1 78 VAL MG1 1 79 HIS HA 4.200 . 6.000 3.808 3.374 4.005 . 0 0 "[ . 1 . ]" 2
720 1 100 ALA MB 1 113 TYR HA 2.900 . 3.900 2.744 2.226 3.922 0.022 17 0 "[ . 1 . ]" 2
721 1 100 ALA MB 1 109 ILE HA 3.300 . 4.700 3.404 2.702 4.553 . 0 0 "[ . 1 . ]" 2
722 1 78 VAL HA 1 78 VAL MG1 2.700 . 3.600 2.587 2.464 3.151 . 0 0 "[ . 1 . ]" 2
723 1 100 ALA MB 1 113 TYR QB 2.900 . 3.900 2.639 2.024 3.897 . 0 0 "[ . 1 . ]" 2
724 1 9 LYS HB2 1 78 VAL MG1 2.900 . 4.000 2.428 1.858 4.444 0.444 17 0 "[ . 1 . ]" 2
725 1 100 ALA MB 1 112 LYS HB3 3.300 . 4.600 2.762 1.972 4.704 0.104 17 0 "[ . 1 . ]" 2
726 1 100 ALA MB 1 112 LYS HB2 2.800 . 3.800 2.530 2.109 3.425 . 0 0 "[ . 1 . ]" 2
727 1 9 LYS HG2 1 78 VAL MG1 4.500 . 6.000 4.050 3.253 4.687 . 0 0 "[ . 1 . ]" 2
728 1 6 VAL MG2 1 78 VAL MG1 3.100 . 6.000 3.954 3.301 4.845 . 0 0 "[ . 1 . ]" 2
729 1 66 LEU QD 1 100 ALA MB 2.600 . 5.400 2.278 1.699 3.076 0.301 17 0 "[ . 1 . ]" 2
730 1 78 VAL MG1 1 78 VAL MG2 2.800 . 3.800 2.077 2.047 2.083 . 0 0 "[ . 1 . ]" 2
731 1 67 TYR HA 1 68 VAL QG 4.200 . 6.000 3.259 2.957 3.723 . 0 0 "[ . 1 . ]" 2
732 1 67 TYR HB3 1 68 VAL QG 4.500 . 6.000 3.988 3.623 4.308 . 0 0 "[ . 1 . ]" 2
733 1 42 ALA MB 1 47 LEU HG 4.500 . 6.000 4.278 2.459 6.297 0.297 17 0 "[ . 1 . ]" 2
734 1 68 VAL MG1 1 68 VAL MG2 2.500 . 3.300 2.091 2.085 2.095 . 0 0 "[ . 1 . ]" 2
735 1 29 GLU HB3 1 32 ALA MB 3.500 . 5.000 4.218 3.558 5.464 0.464 11 0 "[ . 1 . ]" 2
736 1 80 ALA HA 1 80 ALA MB 2.300 . 2.900 2.128 2.126 2.129 . 0 0 "[ . 1 . ]" 2
737 1 75 ILE HG13 1 93 ALA MB 5.000 . 6.000 5.293 4.742 5.900 . 0 0 "[ . 1 . ]" 2
738 1 71 VAL MG2 1 93 ALA MB 2.700 . 6.000 3.417 2.408 4.272 . 0 0 "[ . 1 . ]" 2
739 1 75 ILE MD 1 93 ALA MB 2.600 . 6.000 3.167 2.705 3.664 . 0 0 "[ . 1 . ]" 2
740 1 75 ILE HA 1 75 ILE MG 2.800 . 3.800 2.448 2.368 2.641 . 0 0 "[ . 1 . ]" 2
741 1 75 ILE MG 1 79 HIS HB3 4.000 . 6.000 4.043 3.648 4.487 . 0 0 "[ . 1 . ]" 2
742 1 75 ILE HB 1 75 ILE MG 2.400 . 3.100 2.096 2.067 2.101 . 0 0 "[ . 1 . ]" 2
743 1 75 ILE MG 1 89 VAL HB 2.800 . 3.800 2.468 1.786 3.881 0.081 9 0 "[ . 1 . ]" 2
744 1 75 ILE HG12 1 75 ILE MG 2.800 . 3.800 2.328 2.266 2.418 . 0 0 "[ . 1 . ]" 2
745 1 75 ILE MG 1 89 VAL QG 3.300 . 4.600 2.152 1.715 2.449 0.285 9 0 "[ . 1 . ]" 2
746 1 83 ALA MB 1 84 ASP HA 4.300 . 6.000 3.904 3.812 3.940 . 0 0 "[ . 1 . ]" 2
747 1 52 ALA HA 1 52 ALA MB 2.200 . 2.800 2.129 2.123 2.134 . 0 0 "[ . 1 . ]" 2
748 1 18 ILE MG 1 19 MET HA 3.400 . 4.900 3.117 2.823 3.492 . 0 0 "[ . 1 . ]" 2
749 1 5 THR HA 1 8 ALA MB 2.900 . 6.000 3.762 2.488 4.387 . 0 0 "[ . 1 . ]" 2
750 1 118 ILE MG 1 122 PHE HB3 4.200 . 6.000 4.599 2.877 4.954 . 0 0 "[ . 1 . ]" 2
751 1 109 ILE MG 1 113 TYR QB 3.500 . 5.000 3.318 2.675 4.313 . 0 0 "[ . 1 . ]" 2
752 1 103 GLU QG 1 109 ILE MG 3.300 . 6.000 4.514 3.592 5.394 . 0 0 "[ . 1 . ]" 2
753 1 8 ALA HA 1 8 ALA MB 2.100 . 2.700 2.122 2.118 2.128 . 0 0 "[ . 1 . ]" 2
754 1 118 ILE MG 1 119 GLU HA 3.000 . 6.000 3.640 3.318 3.819 . 0 0 "[ . 1 . ]" 2
755 1 118 ILE HA 1 118 ILE MG 2.600 . 3.500 2.383 2.342 2.486 . 0 0 "[ . 1 . ]" 2
756 1 18 ILE QG 1 18 ILE MG 2.700 . 3.600 2.300 2.244 2.381 . 0 0 "[ . 1 . ]" 2
757 1 92 ILE MG 1 120 LYS HB2 2.200 . 6.000 1.880 1.717 2.090 . 0 0 "[ . 1 . ]" 2
758 1 27 ILE HA 1 27 ILE MG 2.400 . 3.100 2.225 2.150 2.322 . 0 0 "[ . 1 . ]" 2
759 1 55 MET ME 1 110 GLY QA 3.300 . 4.600 3.127 2.004 3.872 . 0 0 "[ . 1 . ]" 2
760 1 55 MET ME 1 113 TYR QB 2.600 . 3.400 2.977 2.029 3.433 0.033 14 0 "[ . 1 . ]" 2
761 1 60 MET ME 1 70 PRO HG3 3.700 . 6.000 5.409 4.962 5.811 . 0 0 "[ . 1 . ]" 2
762 1 92 ILE MG 1 120 LYS HB3 3.200 . 4.500 2.818 2.442 3.275 . 0 0 "[ . 1 . ]" 2
763 1 55 MET ME 1 60 MET ME 2.900 . 6.000 3.575 2.627 5.031 . 0 0 "[ . 1 . ]" 2
764 1 97 ILE MG 1 98 GLU HA 2.800 . 6.000 3.494 3.129 3.806 . 0 0 "[ . 1 . ]" 2
765 1 60 MET ME 1 68 VAL HA 4.200 . 6.000 3.516 2.224 5.053 . 0 0 "[ . 1 . ]" 2
766 1 1 ILE HA 1 1 ILE MG 2.900 . 3.900 2.376 2.232 3.207 . 0 0 "[ . 1 . ]" 2
767 1 60 MET ME 1 60 MET QG 3.000 . 4.100 2.282 2.214 2.438 . 0 0 "[ . 1 . ]" 2
768 1 22 ALA MB 1 28 SER HA 5.000 . 6.000 3.828 2.429 6.033 0.033 11 0 "[ . 1 . ]" 2
769 1 22 ALA MB 1 50 LEU QD 2.400 . 6.000 2.914 2.455 3.737 . 0 0 "[ . 1 . ]" 2
770 1 18 ILE MG 1 22 ALA MB 2.500 . 6.000 2.901 1.862 3.773 . 0 0 "[ . 1 . ]" 2
771 1 58 ILE HA 1 58 ILE MG 2.500 . 3.300 2.304 2.246 2.355 . 0 0 "[ . 1 . ]" 2
772 1 17 ASP QB 1 58 ILE MG 2.800 . 6.000 4.415 3.777 5.253 . 0 0 "[ . 1 . ]" 2
773 1 75 ILE MD 1 75 ILE HG13 2.200 . 2.800 2.120 2.119 2.121 . 0 0 "[ . 1 . ]" 2
774 1 75 ILE MD 1 75 ILE HG12 2.900 . 3.900 2.118 2.117 2.120 . 0 0 "[ . 1 . ]" 2
775 1 19 MET HA 1 19 MET ME 3.500 . 6.000 4.126 1.822 5.430 . 0 0 "[ . 1 . ]" 2
776 1 15 MET ME 1 15 MET HG3 4.000 . 6.000 2.970 2.455 3.404 . 0 0 "[ . 1 . ]" 2
777 1 15 MET HA 1 18 ILE MD 2.800 . 6.000 2.626 1.849 4.809 . 0 0 "[ . 1 . ]" 2
778 1 11 MET HA 1 18 ILE MD 4.200 . 6.000 3.110 2.401 5.127 . 0 0 "[ . 1 . ]" 2
779 1 18 ILE HA 1 18 ILE MD 4.100 . 6.000 3.684 1.983 3.855 0.017 3 0 "[ . 1 . ]" 2
780 1 27 ILE MD 1 46 GLN HG3 3.800 . 5.600 4.295 1.982 6.013 0.413 1 0 "[ . 1 . ]" 2
781 1 14 LEU HB2 1 18 ILE MD 2.700 . 6.000 3.298 2.453 4.318 . 0 0 "[ . 1 . ]" 2
782 1 27 ILE HA 1 27 ILE MD 3.600 . 5.200 4.082 3.556 4.190 . 0 0 "[ . 1 . ]" 2
783 1 27 ILE MD 1 32 ALA HA 3.600 . 5.200 2.816 1.965 4.754 0.035 8 0 "[ . 1 . ]" 2
784 1 76 GLU HA 1 86 ILE MD 3.300 . 4.700 1.933 1.889 2.099 0.011 4 0 "[ . 1 . ]" 2
785 1 79 HIS HB3 1 86 ILE MD 3.800 . 5.600 4.545 4.183 4.854 . 0 0 "[ . 1 . ]" 2
786 1 86 ILE HB 1 86 ILE MD 2.600 . 3.500 2.377 2.332 2.414 . 0 0 "[ . 1 . ]" 2
787 1 104 THR HA 1 109 ILE MD 3.400 . 4.800 3.763 2.251 4.735 . 0 0 "[ . 1 . ]" 2
788 1 64 THR HA 1 109 ILE MD 3.000 . 4.100 2.125 1.956 2.592 . 0 0 "[ . 1 . ]" 2
789 1 92 ILE MD 1 120 LYS HA 4.200 . 6.000 4.236 3.646 4.626 . 0 0 "[ . 1 . ]" 2
790 1 106 GLU HA 1 109 ILE MD 2.600 . 6.000 2.905 1.821 4.252 . 0 0 "[ . 1 . ]" 2
791 1 89 VAL HA 1 92 ILE MD 2.800 . 6.000 3.157 1.726 4.107 . 0 0 "[ . 1 . ]" 2
792 1 109 ILE HA 1 109 ILE MD 4.800 . 6.000 3.802 3.698 3.901 . 0 0 "[ . 1 . ]" 2
793 1 103 GLU QG 1 109 ILE MD 2.900 . 6.000 4.644 4.165 5.093 . 0 0 "[ . 1 . ]" 2
794 1 103 GLU QB 1 109 ILE MD 3.100 . 6.000 3.285 2.764 3.594 . 0 0 "[ . 1 . ]" 2
795 1 92 ILE MD 1 120 LYS HB2 2.700 . 3.600 2.554 2.045 3.067 . 0 0 "[ . 1 . ]" 2
796 1 88 LEU HG 1 92 ILE MD 2.900 . 6.000 3.142 2.132 4.773 . 0 0 "[ . 1 . ]" 2
797 1 64 THR MG 1 109 ILE MD 3.000 . 4.100 2.439 1.878 3.386 0.022 10 0 "[ . 1 . ]" 2
798 1 97 ILE HA 1 97 ILE MD 3.000 . 4.100 3.790 2.725 3.895 . 0 0 "[ . 1 . ]" 2
799 1 66 LEU QB 1 97 ILE MD 3.100 . 6.000 3.803 2.563 5.462 . 0 0 "[ . 1 . ]" 2
800 1 118 ILE MD 1 118 ILE HG13 4.400 . 6.000 2.120 2.116 2.121 . 0 0 "[ . 1 . ]" 2
801 1 27 ILE HB 1 27 ILE MG 2.900 . 3.900 1.960 1.887 2.032 0.013 11 0 "[ . 1 . ]" 2
802 1 118 ILE HB 1 118 ILE MG 2.400 . 3.100 2.127 2.118 2.130 . 0 0 "[ . 1 . ]" 2
803 1 24 GLU HB2 1 25 LEU HA 5.500 . 6.000 5.484 4.672 5.691 . 0 0 "[ . 1 . ]" 2
804 1 66 LEU HA 1 66 LEU QB 2.500 . 3.300 2.366 2.169 2.468 . 0 0 "[ . 1 . ]" 2
805 1 17 ASP HA 1 17 ASP QB 2.600 . 3.500 2.354 2.182 2.389 . 0 0 "[ . 1 . ]" 2
806 1 17 ASP HA 1 57 ARG HD3 3.600 . 5.200 3.972 3.363 4.468 . 0 0 "[ . 1 . ]" 2
807 1 105 ASP HA 1 105 ASP HB3 2.800 . 3.800 3.023 3.013 3.027 . 0 0 "[ . 1 . ]" 2
808 1 105 ASP HA 1 105 ASP HB2 2.700 . 3.600 2.458 2.431 2.533 . 0 0 "[ . 1 . ]" 2
809 1 66 LEU HA 1 67 TYR HB2 6.000 . 6.000 4.352 4.199 4.530 . 0 0 "[ . 1 . ]" 2
810 1 40 ASN QB 1 122 PHE HA 3.200 . 6.000 5.658 5.462 5.824 . 0 0 "[ . 1 . ]" 2
811 1 105 ASP HA 1 108 ASN HB3 5.100 . 6.000 5.218 4.488 6.199 0.199 3 0 "[ . 1 . ]" 2
812 1 60 MET HA 1 60 MET HB2 2.800 . 3.800 2.461 2.311 2.606 . 0 0 "[ . 1 . ]" 2
813 1 60 MET HA 1 60 MET HB3 2.900 . 3.900 2.937 2.513 3.026 . 0 0 "[ . 1 . ]" 2
814 1 55 MET HB2 1 61 LEU HA 5.200 . 6.000 5.154 4.819 5.832 . 0 0 "[ . 1 . ]" 2
815 1 60 MET HA 1 70 PRO HB2 5.200 . 6.000 4.707 3.521 5.682 . 0 0 "[ . 1 . ]" 2
816 1 60 MET HA 1 60 MET QG 3.000 . 4.100 2.738 2.236 3.441 . 0 0 "[ . 1 . ]" 2
817 1 60 MET HA 1 70 PRO HG2 2.800 . 3.700 3.033 2.224 3.738 0.038 2 0 "[ . 1 . ]" 2
818 1 17 ASP HA 1 20 PRO QG 2.600 . 3.400 2.601 2.047 3.217 . 0 0 "[ . 1 . ]" 2
819 1 2 ASP HA 1 3 GLN QB 5.900 . 6.000 4.366 4.065 4.525 . 0 0 "[ . 1 . ]" 2
820 1 61 LEU HA 1 61 LEU HG 2.800 . 3.800 3.101 2.393 3.433 . 0 0 "[ . 1 . ]" 2
821 1 66 LEU HA 1 66 LEU HG 2.800 . 3.700 3.265 2.295 3.728 0.028 2 0 "[ . 1 . ]" 2
822 1 66 LEU HA 1 66 LEU QD . . 3.100 2.166 1.926 2.909 0.074 4 0 "[ . 1 . ]" 2
823 1 61 LEU HA 1 61 LEU QD . . 3.400 2.216 2.022 2.923 . 0 0 "[ . 1 . ]" 2
824 1 49 CYS HA 1 52 ALA MB 2.900 . 3.900 1.979 1.859 2.394 0.041 1 0 "[ . 1 . ]" 2
825 1 82 ASN HA 1 83 ALA MB 6.000 . 6.000 4.005 3.986 4.039 . 0 0 "[ . 1 . ]" 2
826 1 60 MET ME 1 66 LEU HA 5.100 . 6.000 4.243 2.880 4.999 . 0 0 "[ . 1 . ]" 2
827 1 9 LYS HA 1 12 GLU HG3 6.000 . 6.000 5.884 5.239 6.198 0.198 5 0 "[ . 1 . ]" 2
828 1 92 ILE MG 1 120 LYS HA 5.400 . 6.000 4.374 4.199 4.569 . 0 0 "[ . 1 . ]" 2
829 1 74 MET HA 1 77 VAL HB 3.100 . 4.300 4.124 3.838 4.301 0.001 14 0 "[ . 1 . ]" 2
830 1 92 ILE HA 1 95 GLU HB2 3.900 . 5.800 3.420 2.778 4.141 . 0 0 "[ . 1 . ]" 2
831 1 79 HIS HB3 1 85 ASP QB 4.700 . 6.000 2.876 2.223 3.712 . 0 0 "[ . 1 . ]" 2
832 1 53 CYS HA 1 56 LYS HG3 4.400 . 6.000 3.078 2.406 4.474 . 0 0 "[ . 1 . ]" 2
833 1 114 THR HA 1 117 TYR HB2 4.200 . 6.000 2.674 2.411 3.017 . 0 0 "[ . 1 . ]" 2
834 1 96 CYS HA 1 99 ASN QB 2.900 . 3.900 3.503 2.268 3.961 0.061 4 0 "[ . 1 . ]" 2
835 1 67 TYR HB2 1 70 PRO HG2 5.100 . 6.000 3.948 2.571 5.403 . 0 0 "[ . 1 . ]" 2
836 1 106 GLU HA 1 106 GLU HG2 3.100 . 4.300 3.318 2.507 3.814 . 0 0 "[ . 1 . ]" 2
837 1 106 GLU HA 1 106 GLU HG3 3.300 . 4.600 2.798 2.462 3.376 . 0 0 "[ . 1 . ]" 2
838 1 76 GLU HA 1 86 ILE MG 3.300 . 4.600 2.369 1.996 3.008 0.004 15 0 "[ . 1 . ]" 2
839 1 103 GLU QG 1 109 ILE HA 3.500 . 5.100 3.066 2.433 3.689 . 0 0 "[ . 1 . ]" 2
840 1 14 LEU HB3 1 18 ILE MD 3.600 . 5.200 3.917 3.226 4.155 . 0 0 "[ . 1 . ]" 2
841 1 2 ASP HA 1 3 GLN QG 5.400 . 6.000 4.535 3.606 5.767 . 0 0 "[ . 1 . ]" 2
842 1 36 GLN HA 1 36 GLN HB3 2.300 . 3.000 2.620 2.411 3.022 0.022 15 0 "[ . 1 . ]" 2
843 1 60 MET HA 1 67 TYR HB2 2.500 . 3.300 2.092 1.799 2.667 . 0 0 "[ . 1 . ]" 2
844 1 29 GLU QG 1 47 LEU QB 3.400 . 4.900 3.606 2.455 4.458 . 0 0 "[ . 1 . ]" 2
845 1 42 ALA MB 1 47 LEU QB 4.600 . 6.000 3.563 2.006 4.973 . 0 0 "[ . 1 . ]" 2
846 1 25 LEU QB 1 50 LEU HA 4.700 . 6.000 4.114 2.893 4.817 . 0 0 "[ . 1 . ]" 2
847 1 49 CYS HA 1 107 CYS HA 3.000 . 4.100 3.343 2.598 3.953 . 0 0 "[ . 1 . ]" 2
848 1 59 GLU QG 1 62 LYS QE 4.200 . 6.000 4.284 3.291 5.212 . 0 0 "[ . 1 . ]" 2
849 1 47 LEU HA 1 49 CYS HA 4.400 . 6.000 6.113 5.942 6.256 0.256 11 0 "[ . 1 . ]" 2
850 1 84 ASP HB3 1 87 GLN HA 6.000 . 6.000 6.360 6.095 6.993 0.993 6 5 "[ -.+ 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 12
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 130.709
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0802
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0377
_Distance_constraint_stats_list.Viol_average_violations_only 0.1373
_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 28 SER 0.750 0.120 13 0 "[ . 1 . ]"
1 30 ASP 0.750 0.120 13 0 "[ . 1 . ]"
1 31 ILE 0.351 0.078 15 0 "[ . 1 . ]"
1 33 THR 0.051 0.036 4 0 "[ . 1 . ]"
1 34 ASN 0.702 0.104 1 0 "[ . 1 . ]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 36 GLN 1.429 0.287 11 0 "[ . 1 . ]"
1 37 ALA 1.202 0.287 11 0 "[ . 1 . ]"
1 38 ALA 0.510 0.188 3 0 "[ . 1 . ]"
1 40 ASN 0.175 0.069 17 0 "[ . 1 . ]"
1 41 GLY 0.510 0.188 3 0 "[ . 1 . ]"
1 49 CYS 4.475 0.301 17 0 "[ . 1 . ]"
1 52 ALA 4.475 0.301 17 0 "[ . 1 . ]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 109 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 115 ASP 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 28 SER HA 1 30 ASP H 4.000 . 4.000 3.985 3.673 4.120 0.120 13 0 "[ . 1 . ]" 3
2 1 31 ILE H 1 33 THR H 5.000 . 5.000 4.453 3.536 5.036 0.036 4 0 "[ . 1 . ]" 3
3 1 31 ILE HA 1 34 ASN H 5.000 . 5.000 4.834 3.928 5.078 0.078 15 0 "[ . 1 . ]" 3
4 1 34 ASN H 1 35 ILE QG 5.000 . 6.500 4.716 3.473 6.261 . 0 0 "[ . 1 . ]" 3
5 1 36 GLN H 1 37 ALA MB 4.000 . 5.000 4.727 3.405 5.287 0.287 11 0 "[ . 1 . ]" 3
6 1 34 ASN HA 1 36 GLN H 5.000 . 5.000 4.744 3.815 5.104 0.104 1 0 "[ . 1 . ]" 3
7 1 37 ALA MB 1 40 ASN H 5.000 . 5.000 4.342 3.490 5.069 0.069 17 0 "[ . 1 . ]" 3
8 1 38 ALA MB 1 41 GLY H 5.000 . 5.000 4.298 2.885 5.188 0.188 3 0 "[ . 1 . ]" 3
9 1 49 CYS QB 1 52 ALA H 4.000 . 4.000 4.263 4.206 4.301 0.301 17 0 "[ . 1 . ]" 3
10 1 49 CYS QB 1 107 CYS H 5.000 . 6.000 4.348 2.458 5.244 . 0 0 "[ . 1 . ]" 3
11 1 109 ILE HA 1 111 ASN H 5.000 . 6.000 4.763 4.389 5.162 . 0 0 "[ . 1 . ]" 3
12 1 112 LYS HA 1 115 ASP H 4.000 . 5.000 4.115 3.474 4.502 . 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 142
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 134.868
_Distance_constraint_stats_list.Viol_max 0.626
_Distance_constraint_stats_list.Viol_rms 0.0280
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0756
_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 3 GLN 0.141 0.054 1 0 "[ . 1 . ]"
1 6 VAL 1.188 0.591 1 1 "[+ . 1 . ]"
1 10 TYR 1.351 0.591 1 1 "[+ . 1 . ]"
1 13 TYR 3.273 0.626 14 2 "[ . -1 +. ]"
1 14 LEU 1.843 0.626 14 2 "[ . -1 +. ]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.073 0.053 4 0 "[ . 1 . ]"
1 51 LYS 0.073 0.053 4 0 "[ . 1 . ]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 67 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 72 TYR 0.292 0.254 6 0 "[ . 1 . ]"
1 74 MET 0.716 0.110 5 0 "[ . 1 . ]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 76 GLU 0.285 0.049 1 0 "[ . 1 . ]"
1 78 VAL 0.706 0.126 3 0 "[ . 1 . ]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 86 ILE 0.285 0.049 1 0 "[ . 1 . ]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 90 LYS 0.279 0.254 6 0 "[ . 1 . ]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 93 ALA 0.054 0.016 12 0 "[ . 1 . ]"
1 94 ASN 0.013 0.013 10 0 "[ . 1 . ]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 97 ILE 0.117 0.040 7 0 "[ . 1 . ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 113 TYR 0.117 0.040 7 0 "[ . 1 . ]"
1 116 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 117 TYR 0.182 0.048 16 0 "[ . 1 . ]"
1 118 ILE 2.066 0.348 11 0 "[ . 1 . ]"
1 121 LEU 0.218 0.059 1 0 "[ . 1 . ]"
1 122 PHE 2.385 0.348 11 0 "[ . 1 . ]"
1 123 SER 0.120 0.082 16 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 6 VAL MG2 1 79 HIS HE1 2.500 . 6.000 2.221 1.740 3.062 . 0 0 "[ . 1 . ]" 4
2 1 79 HIS HE1 1 121 LEU QD 3.100 . 4.300 2.565 2.011 3.835 . 0 0 "[ . 1 . ]" 4
3 1 79 HIS HE1 1 89 VAL QG 3.100 . 4.300 2.795 2.364 3.148 . 0 0 "[ . 1 . ]" 4
4 1 78 VAL MG1 1 79 HIS HE1 3.700 . 5.400 3.941 3.611 4.310 . 0 0 "[ . 1 . ]" 4
5 1 122 PHE HA 1 122 PHE QD 2.600 . 3.500 2.997 2.621 3.472 . 0 0 "[ . 1 . ]" 4
6 1 118 ILE HA 1 122 PHE QD 3.700 . 5.400 4.351 3.686 4.592 . 0 0 "[ . 1 . ]" 4
7 1 122 PHE HB2 1 122 PHE QD 2.900 . 4.000 2.474 2.276 2.596 . 0 0 "[ . 1 . ]" 4
8 1 122 PHE HB3 1 122 PHE QD 2.700 . 3.600 2.350 2.257 2.721 . 0 0 "[ . 1 . ]" 4
9 1 118 ILE HB 1 122 PHE QD 3.500 . 6.000 5.911 5.041 6.348 0.348 11 0 "[ . 1 . ]" 4
10 1 3 GLN QB 1 122 PHE QD 4.000 . 6.000 4.840 3.359 5.864 . 0 0 "[ . 1 . ]" 4
11 1 121 LEU QD 1 122 PHE QD 4.400 . 6.000 3.865 2.516 4.870 . 0 0 "[ . 1 . ]" 4
12 1 118 ILE MG 1 122 PHE QD 2.600 . 6.000 3.036 2.086 4.222 . 0 0 "[ . 1 . ]" 4
13 1 121 LEU HG 1 122 PHE QD 4.400 . 6.000 5.068 3.986 6.059 0.059 1 0 "[ . 1 . ]" 4
14 1 10 TYR QD 1 78 VAL MG1 3.400 . 4.900 3.129 2.886 3.399 . 0 0 "[ . 1 . ]" 4
15 1 10 TYR HA 1 10 TYR QD 2.700 . 3.600 2.339 1.982 2.708 . 0 0 "[ . 1 . ]" 4
16 1 6 VAL HA 1 10 TYR QD 2.600 . 3.500 2.730 2.173 3.446 . 0 0 "[ . 1 . ]" 4
17 1 10 TYR HB2 1 10 TYR QD 2.600 . 3.400 2.290 2.274 2.319 . 0 0 "[ . 1 . ]" 4
18 1 10 TYR HB3 1 10 TYR QD 2.700 . 3.600 2.629 2.511 2.740 . 0 0 "[ . 1 . ]" 4
19 1 10 TYR QD 1 78 VAL HB 4.700 . 6.000 5.353 4.658 5.641 . 0 0 "[ . 1 . ]" 4
20 1 6 VAL MG2 1 10 TYR QD 2.900 . 3.900 3.917 3.669 4.491 0.591 1 1 "[+ . 1 . ]" 4
21 1 10 TYR QD 1 78 VAL MG2 3.000 . 4.100 3.583 2.715 4.087 . 0 0 "[ . 1 . ]" 4
22 1 3 GLN QB 1 122 PHE QE 4.100 . 6.000 3.237 1.946 4.515 0.054 1 0 "[ . 1 . ]" 4
23 1 3 GLN HA 1 122 PHE QE 2.800 . 3.800 3.382 2.986 3.848 0.048 7 0 "[ . 1 . ]" 4
24 1 118 ILE HA 1 122 PHE QE 4.300 . 6.000 6.074 5.815 6.190 0.190 8 0 "[ . 1 . ]" 4
25 1 6 VAL HB 1 122 PHE QE 3.000 . 4.100 3.549 2.351 4.009 . 0 0 "[ . 1 . ]" 4
26 1 118 ILE MG 1 122 PHE QE 2.500 . 6.000 4.454 3.759 5.918 . 0 0 "[ . 1 . ]" 4
27 1 67 TYR HA 1 67 TYR QD 3.000 . 4.100 2.927 2.610 3.160 . 0 0 "[ . 1 . ]" 4
28 1 67 TYR HB3 1 67 TYR QD 2.600 . 3.400 2.369 2.278 2.525 . 0 0 "[ . 1 . ]" 4
29 1 67 TYR HB2 1 67 TYR QD 2.700 . 3.600 2.470 2.309 2.668 . 0 0 "[ . 1 . ]" 4
30 1 74 MET H 1 75 ILE MD 4.300 . 6.000 4.658 4.487 4.846 . 0 0 "[ . 1 . ]" 4
31 1 67 TYR QD 1 68 VAL QG 3.300 . 6.000 4.391 4.057 4.762 . 0 0 "[ . 1 . ]" 4
32 1 72 TYR HA 1 72 TYR QD 2.200 . 2.800 2.125 1.824 2.327 . 0 0 "[ . 1 . ]" 4
33 1 72 TYR HB3 1 72 TYR QD 2.700 . 3.600 2.616 2.432 2.771 . 0 0 "[ . 1 . ]" 4
34 1 72 TYR HB2 1 72 TYR QD 2.500 . 3.300 2.561 2.306 2.760 . 0 0 "[ . 1 . ]" 4
35 1 71 VAL HB 1 72 TYR QD 3.600 . 5.200 3.524 2.618 5.079 . 0 0 "[ . 1 . ]" 4
36 1 72 TYR QD 1 90 LYS HG3 3.000 . 4.100 2.843 1.960 4.354 0.254 6 0 "[ . 1 . ]" 4
37 1 68 VAL QG 1 72 TYR QD 3.600 . 5.200 3.439 2.951 3.888 . 0 0 "[ . 1 . ]" 4
38 1 13 TYR QD 1 14 LEU HA 3.500 . 5.100 4.158 3.652 4.655 . 0 0 "[ . 1 . ]" 4
39 1 13 TYR HA 1 13 TYR QD 2.800 . 3.800 2.966 2.575 3.112 . 0 0 "[ . 1 . ]" 4
40 1 13 TYR QD 1 14 LEU HG 2.200 . 2.800 2.004 1.696 2.716 . 0 0 "[ . 1 . ]" 4
41 1 10 TYR HA 1 13 TYR QD 4.300 . 6.000 4.269 3.709 4.672 . 0 0 "[ . 1 . ]" 4
42 1 13 TYR QD 1 74 MET HA 4.300 . 6.000 4.631 4.307 5.100 . 0 0 "[ . 1 . ]" 4
43 1 13 TYR HB3 1 13 TYR QD 2.500 . 3.300 2.506 2.292 2.686 . 0 0 "[ . 1 . ]" 4
44 1 13 TYR HB2 1 13 TYR QD 2.300 . 3.000 2.348 2.276 2.560 . 0 0 "[ . 1 . ]" 4
45 1 13 TYR QD 1 14 LEU MD1 2.500 . 6.000 3.003 2.055 3.833 . 0 0 "[ . 1 . ]" 4
46 1 13 TYR QD 1 78 VAL MG2 3.000 . 4.200 2.471 2.165 2.762 . 0 0 "[ . 1 . ]" 4
47 1 13 TYR QD 1 78 VAL MG1 5.900 . 6.000 4.551 4.161 4.699 . 0 0 "[ . 1 . ]" 4
48 1 72 TYR QE 1 90 LYS HE3 5.900 . 6.000 5.213 4.282 6.026 0.026 8 0 "[ . 1 . ]" 4
49 1 72 TYR HA 1 72 TYR QE 4.000 . 6.000 4.345 4.195 4.484 . 0 0 "[ . 1 . ]" 4
50 1 72 TYR QE 1 90 LYS HA 2.600 . 3.400 2.993 2.328 3.332 . 0 0 "[ . 1 . ]" 4
51 1 69 GLU HA 1 72 TYR QE 4.500 . 6.000 4.632 3.363 5.969 . 0 0 "[ . 1 . ]" 4
52 1 72 TYR QE 1 90 LYS HG3 4.600 . 6.000 3.491 2.584 5.589 . 0 0 "[ . 1 . ]" 4
53 1 72 TYR QE 1 75 ILE MD 3.200 . 4.500 3.633 3.314 3.907 . 0 0 "[ . 1 . ]" 4
54 1 72 TYR QE 1 90 LYS QD 4.400 . 6.000 4.526 3.477 5.133 . 0 0 "[ . 1 . ]" 4
55 1 72 TYR QE 1 90 LYS HG2 4.400 . 6.000 3.537 2.918 4.932 . 0 0 "[ . 1 . ]" 4
56 1 68 VAL QG 1 72 TYR QE 2.900 . 6.000 2.540 2.133 2.854 . 0 0 "[ . 1 . ]" 4
57 1 72 TYR QE 1 94 ASN HA 4.200 . 6.000 5.647 5.122 6.013 0.013 10 0 "[ . 1 . ]" 4
58 1 75 ILE HA 1 79 HIS HD2 2.100 . 2.700 1.982 1.778 2.326 . 0 0 "[ . 1 . ]" 4
59 1 79 HIS HB2 1 79 HIS HD2 3.500 . 5.000 2.813 2.750 2.934 . 0 0 "[ . 1 . ]" 4
60 1 79 HIS HB3 1 79 HIS HD2 3.600 . 5.200 3.897 3.841 3.953 . 0 0 "[ . 1 . ]" 4
61 1 75 ILE HB 1 79 HIS HD2 3.900 . 5.800 3.881 3.647 4.204 . 0 0 "[ . 1 . ]" 4
62 1 75 ILE MG 1 79 HIS HD2 2.400 . 3.100 2.200 1.895 2.803 . 0 0 "[ . 1 . ]" 4
63 1 79 HIS HD2 1 89 VAL QG 3.300 . 5.800 3.080 2.731 3.743 . 0 0 "[ . 1 . ]" 4
64 1 78 VAL MG2 1 79 HIS HD2 3.100 . 6.000 4.301 3.942 4.458 . 0 0 "[ . 1 . ]" 4
65 1 78 VAL MG1 1 79 HIS HD2 3.100 . 4.300 2.541 1.992 2.710 . 0 0 "[ . 1 . ]" 4
66 1 13 TYR HA 1 13 TYR QE 4.400 . 6.000 4.567 4.469 4.638 . 0 0 "[ . 1 . ]" 4
67 1 13 TYR QE 1 74 MET HA 2.900 . 3.900 2.901 2.316 3.675 . 0 0 "[ . 1 . ]" 4
68 1 13 TYR QE 1 74 MET HG3 4.000 . 6.000 4.870 4.268 5.284 . 0 0 "[ . 1 . ]" 4
69 1 13 TYR QE 1 14 LEU HG 4.200 . 6.000 3.933 3.230 4.539 . 0 0 "[ . 1 . ]" 4
70 1 13 TYR QE 1 74 MET HG2 3.300 . 4.700 4.372 2.741 4.810 0.110 5 0 "[ . 1 . ]" 4
71 1 13 TYR QE 1 78 VAL HB 3.600 . 5.200 5.099 3.098 5.326 0.126 3 0 "[ . 1 . ]" 4
72 1 13 TYR QE 1 74 MET HB3 2.600 . 3.400 2.852 2.392 3.406 0.006 16 0 "[ . 1 . ]" 4
73 1 13 TYR QE 1 14 LEU MD1 3.000 . 4.100 3.822 2.745 4.726 0.626 14 2 "[ . -1 +. ]" 4
74 1 13 TYR QE 1 58 ILE MG 3.200 . 4.500 3.470 1.906 4.321 . 0 0 "[ . 1 . ]" 4
75 1 13 TYR QE 1 58 ILE MD 4.500 . 6.000 4.337 3.427 5.681 . 0 0 "[ . 1 . ]" 4
76 1 13 TYR QE 1 78 VAL MG2 4.200 . 6.000 2.979 2.560 3.785 . 0 0 "[ . 1 . ]" 4
77 1 62 LYS QE 1 67 TYR QE 4.100 . 6.000 4.593 3.404 5.282 . 0 0 "[ . 1 . ]" 4
78 1 65 GLU QG 1 67 TYR QE 6.000 . 6.000 3.658 2.414 4.981 . 0 0 "[ . 1 . ]" 4
79 1 20 PRO HG3 1 21 CYS H 4.700 . 6.000 4.530 4.402 4.631 . 0 0 "[ . 1 . ]" 4
80 1 65 GLU QB 1 67 TYR QE 2.700 . 3.600 2.255 1.958 3.099 . 0 0 "[ . 1 . ]" 4
81 1 62 LYS QB 1 67 TYR QE 2.300 . 3.000 2.483 1.848 2.961 . 0 0 "[ . 1 . ]" 4
82 1 62 LYS QD 1 67 TYR QE 4.400 . 6.000 3.737 2.083 4.255 . 0 0 "[ . 1 . ]" 4
83 1 21 CYS H 1 22 ALA MB 4.000 . 6.000 4.258 4.026 4.504 . 0 0 "[ . 1 . ]" 4
84 1 62 LYS QG 1 67 TYR QE 3.700 . 5.400 2.533 2.077 4.234 . 0 0 "[ . 1 . ]" 4
85 1 10 TYR QE 1 13 TYR QD 4.600 . 6.000 5.724 4.723 6.018 0.018 15 0 "[ . 1 . ]" 4
86 1 10 TYR QE 1 79 HIS HE1 3.100 . 4.300 3.617 2.551 4.277 . 0 0 "[ . 1 . ]" 4
87 1 10 TYR QE 1 123 SER H 3.500 . 6.000 5.727 5.195 6.082 0.082 16 0 "[ . 1 . ]" 4
88 1 6 VAL HA 1 10 TYR QE 3.600 . 5.200 3.247 2.681 4.079 . 0 0 "[ . 1 . ]" 4
89 1 10 TYR QE 1 74 MET ME 2.800 . 3.800 2.512 1.785 3.803 0.015 12 0 "[ . 1 . ]" 4
90 1 6 VAL MG2 1 10 TYR QE 2.500 . 6.000 3.298 2.861 4.182 . 0 0 "[ . 1 . ]" 4
91 1 10 TYR QE 1 121 LEU QD 4.000 . 4.500 3.223 2.107 4.129 . 0 0 "[ . 1 . ]" 4
92 1 10 TYR QE 1 78 VAL MG2 3.600 . 5.200 3.527 2.937 4.047 . 0 0 "[ . 1 . ]" 4
93 1 10 TYR QE 1 78 VAL MG1 3.000 . 4.100 2.705 2.539 2.883 . 0 0 "[ . 1 . ]" 4
94 1 113 TYR HA 1 113 TYR QD 2.500 . 3.300 2.785 2.257 3.032 . 0 0 "[ . 1 . ]" 4
95 1 113 TYR HB2 1 113 TYR QD 2.400 . 3.100 2.453 2.348 2.639 . 0 0 "[ . 1 . ]" 4
96 1 113 TYR HB3 1 113 TYR QD 2.300 . 3.000 2.361 2.288 2.458 . 0 0 "[ . 1 . ]" 4
97 1 96 CYS QB 1 113 TYR QD 4.000 . 6.000 2.771 2.189 3.180 . 0 0 "[ . 1 . ]" 4
98 1 100 ALA MB 1 113 TYR QD 2.500 . 3.300 2.383 2.032 2.821 . 0 0 "[ . 1 . ]" 4
99 1 66 LEU QD 1 113 TYR QD 2.700 . 3.600 2.516 2.085 3.116 . 0 0 "[ . 1 . ]" 4
100 1 56 LYS QB 1 61 LEU H 4.500 . 6.000 4.171 3.234 4.829 . 0 0 "[ . 1 . ]" 4
101 1 93 ALA HA 1 117 TYR QD 2.700 . 3.600 3.338 2.733 3.616 0.016 12 0 "[ . 1 . ]" 4
102 1 117 TYR HA 1 117 TYR QD 3.000 . 4.100 2.373 1.852 2.999 0.048 16 0 "[ . 1 . ]" 4
103 1 117 TYR HB3 1 117 TYR QD 2.500 . 3.300 2.361 2.278 2.633 . 0 0 "[ . 1 . ]" 4
104 1 117 TYR HB2 1 117 TYR QD 2.500 . 3.300 2.601 2.279 2.773 . 0 0 "[ . 1 . ]" 4
105 1 117 TYR QD 1 121 LEU HB2 3.400 . 4.900 4.307 3.426 4.916 0.016 17 0 "[ . 1 . ]" 4
106 1 117 TYR QD 1 118 ILE MD 4.200 . 6.000 4.783 3.495 6.025 0.025 10 0 "[ . 1 . ]" 4
107 1 117 TYR QD 1 121 LEU QD 4.500 . 6.000 3.467 2.243 4.632 . 0 0 "[ . 1 . ]" 4
108 1 113 TYR HB3 1 113 TYR QE 4.300 . 6.000 4.407 4.388 4.440 . 0 0 "[ . 1 . ]" 4
109 1 96 CYS QB 1 113 TYR QE 3.400 . 4.900 2.857 2.386 3.187 . 0 0 "[ . 1 . ]" 4
110 1 97 ILE HA 1 113 TYR QE 2.500 . 3.300 3.085 2.609 3.340 0.040 7 0 "[ . 1 . ]" 4
111 1 113 TYR HB2 1 113 TYR QE 4.800 . 6.000 4.430 4.399 4.479 . 0 0 "[ . 1 . ]" 4
112 1 97 ILE HG13 1 113 TYR QE 2.700 . 3.600 2.484 1.876 3.529 . 0 0 "[ . 1 . ]" 4
113 1 117 TYR QD 1 121 LEU HB3 3.200 . 4.500 3.681 2.528 4.172 . 0 0 "[ . 1 . ]" 4
114 1 92 ILE QG 1 117 TYR QE 5.000 . 6.000 5.260 4.935 5.547 . 0 0 "[ . 1 . ]" 4
115 1 10 TYR QE 1 117 TYR QE 3.400 . 4.800 3.762 3.175 4.638 . 0 0 "[ . 1 . ]" 4
116 1 93 ALA HA 1 117 TYR QE 2.900 . 4.000 2.690 2.073 4.003 0.003 8 0 "[ . 1 . ]" 4
117 1 93 ALA MB 1 117 TYR QE 2.500 . 6.000 2.579 2.221 3.302 . 0 0 "[ . 1 . ]" 4
118 1 75 ILE HG12 1 117 TYR QE 5.100 . 6.000 5.120 4.570 5.670 . 0 0 "[ . 1 . ]" 4
119 1 117 TYR QE 1 121 LEU QD 3.400 . 4.300 2.999 1.942 4.100 . 0 0 "[ . 1 . ]" 4
120 1 92 ILE MG 1 117 TYR QE 5.100 . 6.000 3.479 2.680 4.024 . 0 0 "[ . 1 . ]" 4
121 1 6 VAL QG 1 10 TYR QE 2.500 . 3.300 2.139 1.845 2.481 . 0 0 "[ . 1 . ]" 4
122 1 117 TYR QD 1 118 ILE H 4.800 . 6.000 4.581 4.140 4.746 . 0 0 "[ . 1 . ]" 4
123 1 13 TYR QD 1 14 LEU H 3.400 . 4.900 4.042 3.678 4.308 . 0 0 "[ . 1 . ]" 4
124 1 54 VAL H 1 55 MET H 3.300 . 4.600 2.541 2.389 2.614 . 0 0 "[ . 1 . ]" 4
125 1 58 ILE H 1 58 ILE HA 2.900 . 3.900 2.934 2.914 2.948 . 0 0 "[ . 1 . ]" 4
126 1 60 MET H 1 60 MET HB2 3.100 . 4.300 3.016 2.624 3.879 . 0 0 "[ . 1 . ]" 4
127 1 54 VAL H 1 54 VAL HA 2.800 . 3.800 2.830 2.800 2.873 . 0 0 "[ . 1 . ]" 4
128 1 92 ILE MD 1 93 ALA H 3.900 . 5.800 4.591 4.497 4.802 . 0 0 "[ . 1 . ]" 4
129 1 55 MET H 1 55 MET HG2 3.300 . 4.700 3.172 1.940 3.464 . 0 0 "[ . 1 . ]" 4
130 1 56 LYS HA 1 57 ARG H 3.700 . 5.400 3.417 3.388 3.470 . 0 0 "[ . 1 . ]" 4
131 1 53 CYS HA 1 57 ARG H 4.500 . 6.000 4.694 4.271 5.298 . 0 0 "[ . 1 . ]" 4
132 1 53 CYS HA 1 54 VAL H 3.300 . 4.700 3.497 3.451 3.548 . 0 0 "[ . 1 . ]" 4
133 1 53 CYS HB3 1 54 VAL H 2.900 . 3.900 2.834 2.599 3.121 . 0 0 "[ . 1 . ]" 4
134 1 53 CYS HB2 1 54 VAL H 3.600 . 5.200 4.056 3.843 4.261 . 0 0 "[ . 1 . ]" 4
135 1 29 GLU H 1 51 LYS H 4.300 . 6.000 5.305 4.472 6.053 0.053 4 0 "[ . 1 . ]" 4
136 1 18 ILE H 1 18 ILE HB 3.900 . 5.800 2.330 2.187 2.429 . 0 0 "[ . 1 . ]" 4
137 1 13 TYR HB3 1 14 LEU H 2.800 . 3.800 2.770 2.471 3.098 . 0 0 "[ . 1 . ]" 4
138 1 54 VAL H 1 54 VAL HB 2.400 . 3.100 2.609 2.500 2.740 . 0 0 "[ . 1 . ]" 4
139 1 116 CYS HB2 1 117 TYR H 3.300 . 4.600 3.725 3.142 4.182 . 0 0 "[ . 1 . ]" 4
140 1 76 GLU HA 1 86 ILE H 5.200 . 6.000 5.946 5.633 6.049 0.049 1 0 "[ . 1 . ]" 4
141 1 122 PHE HA 1 122 PHE QE 3.900 . 5.800 5.012 4.446 5.584 . 0 0 "[ . 1 . ]" 4
142 1 62 LYS HA 1 67 TYR QE 3.800 . 5.600 4.830 4.176 5.460 . 0 0 "[ . 1 . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 121.236
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 4 ASP 0.137 0.058 3 0 "[ . 1 . ]"
1 5 THR 1.647 0.230 17 0 "[ . 1 . ]"
1 6 VAL 1.510 0.230 17 0 "[ . 1 . ]"
1 8 ALA 0.137 0.058 3 0 "[ . 1 . ]"
1 9 LYS 1.510 0.230 17 0 "[ . 1 . ]"
1 10 TYR 0.092 0.036 3 0 "[ . 1 . ]"
1 11 MET 0.117 0.036 3 0 "[ . 1 . ]"
1 12 GLU 0.025 0.022 11 0 "[ . 1 . ]"
1 14 LEU 0.092 0.036 3 0 "[ . 1 . ]"
1 15 MET 0.252 0.106 12 0 "[ . 1 . ]"
1 16 PRO 0.227 0.106 12 0 "[ . 1 . ]"
1 18 ILE 0.710 0.106 12 0 "[ . 1 . ]"
1 19 MET 0.937 0.106 12 0 "[ . 1 . ]"
1 20 PRO 0.707 0.107 12 0 "[ . 1 . ]"
1 21 CYS 1.417 0.107 12 0 "[ . 1 . ]"
1 23 ASP 0.707 0.107 12 0 "[ . 1 . ]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 50 LEU 0.313 0.120 15 0 "[ . 1 . ]"
1 51 LYS 0.313 0.120 15 0 "[ . 1 . ]"
1 52 ALA 0.105 0.043 11 0 "[ . 1 . ]"
1 53 CYS 0.105 0.043 11 0 "[ . 1 . ]"
1 54 VAL 0.313 0.120 15 0 "[ . 1 . ]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 56 LYS 0.105 0.043 11 0 "[ . 1 . ]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 60 MET 0.040 0.023 13 0 "[ . 1 . ]"
1 62 LYS 0.405 0.059 14 0 "[ . 1 . ]"
1 65 GLU 0.405 0.059 14 0 "[ . 1 . ]"
1 67 TYR 0.040 0.023 13 0 "[ . 1 . ]"
1 68 VAL 0.021 0.021 7 0 "[ . 1 . ]"
1 69 GLU 0.106 0.027 15 0 "[ . 1 . ]"
1 70 PRO 0.085 0.027 15 0 "[ . 1 . ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 72 TYR 0.450 0.060 5 0 "[ . 1 . ]"
1 73 LYS 0.514 0.060 5 0 "[ . 1 . ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 76 GLU 0.429 0.060 5 0 "[ . 1 . ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 85 ASP 0.185 0.057 15 0 "[ . 1 . ]"
1 86 ILE 0.185 0.057 15 0 "[ . 1 . ]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 89 VAL 0.185 0.057 15 0 "[ . 1 . ]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 92 ILE 0.105 0.045 16 0 "[ . 1 . ]"
1 93 ALA 0.105 0.045 16 0 "[ . 1 . ]"
1 95 GLU 0.070 0.030 15 0 "[ . 1 . ]"
1 96 CYS 0.175 0.045 16 0 "[ . 1 . ]"
1 99 ASN 0.070 0.030 15 0 "[ . 1 . ]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 108 ASN 0.023 0.016 2 0 "[ . 1 . ]"
1 109 ILE 0.023 0.016 2 0 "[ . 1 . ]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 112 LYS 0.668 0.106 14 0 "[ . 1 . ]"
1 113 TYR 0.644 0.106 14 0 "[ . 1 . ]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 115 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 116 CYS 0.644 0.106 14 0 "[ . 1 . ]"
1 117 TYR 0.195 0.052 8 0 "[ . 1 . ]"
1 118 ILE 1.298 0.103 12 0 "[ . 1 . ]"
1 119 GLU 1.104 0.103 12 0 "[ . 1 . ]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 121 LEU 0.195 0.052 8 0 "[ . 1 . ]"
1 122 PHE 1.104 0.103 12 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 4 ASP O 1 8 ALA H 1.900 . 2.500 2.329 2.021 2.558 0.058 3 0 "[ . 1 . ]" 5
2 1 4 ASP O 1 8 ALA N 2.800 2.400 3.400 2.936 2.731 3.270 . 0 0 "[ . 1 . ]" 5
3 1 5 THR O 1 9 LYS H 1.900 . 2.500 2.569 2.160 2.730 0.230 17 0 "[ . 1 . ]" 5
4 1 5 THR O 1 9 LYS N 2.800 2.400 3.400 3.200 2.866 3.344 . 0 0 "[ . 1 . ]" 5
5 1 8 ALA O 1 12 GLU H 1.900 . 2.500 2.335 2.111 2.418 . 0 0 "[ . 1 . ]" 5
6 1 8 ALA O 1 12 GLU N 2.800 2.400 3.400 2.904 2.819 2.983 . 0 0 "[ . 1 . ]" 5
7 1 10 TYR O 1 14 LEU H 1.900 . 2.500 2.411 2.130 2.536 0.036 3 0 "[ . 1 . ]" 5
8 1 10 TYR O 1 14 LEU N 2.800 2.400 3.400 3.128 2.918 3.231 . 0 0 "[ . 1 . ]" 5
9 1 11 MET O 1 15 MET H 1.900 . 2.500 2.319 1.936 2.522 0.022 11 0 "[ . 1 . ]" 5
10 1 11 MET O 1 15 MET N 2.800 2.400 3.400 2.648 2.495 2.843 . 0 0 "[ . 1 . ]" 5
11 1 15 MET O 1 19 MET H 1.900 . 2.500 2.437 2.196 2.606 0.106 12 0 "[ . 1 . ]" 5
12 1 15 MET O 1 19 MET N 2.800 2.400 3.400 3.267 3.107 3.404 0.004 8 0 "[ . 1 . ]" 5
13 1 18 ILE O 1 21 CYS H 1.900 . 2.500 2.536 2.400 2.606 0.106 12 0 "[ . 1 . ]" 5
14 1 18 ILE O 1 21 CYS N 2.800 2.400 3.400 2.868 2.774 2.997 . 0 0 "[ . 1 . ]" 5
15 1 20 PRO O 1 23 ASP H 1.900 . 2.500 2.530 2.419 2.607 0.107 12 0 "[ . 1 . ]" 5
16 1 20 PRO O 1 23 ASP N 2.800 2.400 3.400 2.889 2.792 2.951 . 0 0 "[ . 1 . ]" 5
17 1 28 SER O 1 32 ALA H 1.900 . 2.500 1.997 1.813 2.451 . 0 0 "[ . 1 . ]" 5
18 1 28 SER O 1 32 ALA N 2.800 2.400 3.400 2.676 2.428 3.001 . 0 0 "[ . 1 . ]" 5
19 1 49 CYS O 1 53 CYS H 1.900 . 2.500 1.978 1.837 2.101 . 0 0 "[ . 1 . ]" 5
20 1 49 CYS O 1 53 CYS N 2.800 2.400 3.400 2.590 2.428 2.720 . 0 0 "[ . 1 . ]" 5
21 1 50 LEU O 1 54 VAL H 1.900 . 2.500 2.468 2.330 2.620 0.120 15 0 "[ . 1 . ]" 5
22 1 50 LEU O 1 54 VAL N 2.800 2.400 3.400 3.228 3.003 3.410 0.010 15 0 "[ . 1 . ]" 5
23 1 52 ALA O 1 56 LYS H 1.900 . 2.500 2.369 2.077 2.543 0.043 11 0 "[ . 1 . ]" 5
24 1 52 ALA O 1 56 LYS N 2.800 2.400 3.400 3.054 2.911 3.212 . 0 0 "[ . 1 . ]" 5
25 1 54 VAL O 1 58 ILE H 1.900 . 2.500 2.179 1.998 2.347 . 0 0 "[ . 1 . ]" 5
26 1 54 VAL O 1 58 ILE N 2.800 2.400 3.400 2.903 2.696 3.073 . 0 0 "[ . 1 . ]" 5
27 1 55 MET O 1 60 MET H 1.900 . 2.500 2.102 1.869 2.446 . 0 0 "[ . 1 . ]" 5
28 1 55 MET O 1 60 MET N 2.800 2.400 3.400 2.896 2.764 3.162 . 0 0 "[ . 1 . ]" 5
29 1 62 LYS H 1 65 GLU O 1.900 . 2.500 2.234 1.937 2.461 . 0 0 "[ . 1 . ]" 5
30 1 62 LYS N 1 65 GLU O 2.800 2.400 3.400 3.117 2.864 3.276 . 0 0 "[ . 1 . ]" 5
31 1 62 LYS O 1 65 GLU H 1.900 . 2.500 2.495 2.318 2.559 0.059 14 0 "[ . 1 . ]" 5
32 1 62 LYS O 1 65 GLU N 2.800 2.400 3.400 3.293 3.006 3.431 0.031 2 0 "[ . 1 . ]" 5
33 1 60 MET O 1 67 TYR H 1.900 . 2.500 2.273 1.870 2.523 0.023 13 0 "[ . 1 . ]" 5
34 1 60 MET O 1 67 TYR N 2.800 2.400 3.400 3.063 2.745 3.307 . 0 0 "[ . 1 . ]" 5
35 1 68 VAL O 1 72 TYR H 1.900 . 2.500 2.202 1.935 2.521 0.021 7 0 "[ . 1 . ]" 5
36 1 68 VAL O 1 72 TYR N 2.800 2.400 3.400 2.942 2.603 3.235 . 0 0 "[ . 1 . ]" 5
37 1 69 GLU O 1 73 LYS H 1.900 . 2.500 2.321 1.998 2.527 0.027 15 0 "[ . 1 . ]" 5
38 1 69 GLU O 1 73 LYS N 2.800 2.400 3.400 3.021 2.739 3.240 . 0 0 "[ . 1 . ]" 5
39 1 70 PRO O 1 74 MET H 1.900 . 2.500 2.115 1.945 2.423 . 0 0 "[ . 1 . ]" 5
40 1 70 PRO O 1 74 MET N 2.800 2.400 3.400 2.760 2.597 3.046 . 0 0 "[ . 1 . ]" 5
41 1 71 VAL O 1 75 ILE H 1.900 . 2.500 1.902 1.831 1.967 . 0 0 "[ . 1 . ]" 5
42 1 71 VAL O 1 75 ILE N 2.800 2.400 3.400 2.826 2.737 2.900 . 0 0 "[ . 1 . ]" 5
43 1 72 TYR O 1 76 GLU H 1.900 . 2.500 2.511 2.320 2.560 0.060 5 0 "[ . 1 . ]" 5
44 1 72 TYR O 1 76 GLU N 2.800 2.400 3.400 3.241 3.098 3.295 . 0 0 "[ . 1 . ]" 5
45 1 73 LYS O 1 77 VAL H 1.900 . 2.500 2.418 2.291 2.496 . 0 0 "[ . 1 . ]" 5
46 1 73 LYS O 1 77 VAL N 2.800 2.400 3.400 2.970 2.884 3.068 . 0 0 "[ . 1 . ]" 5
47 1 74 MET O 1 78 VAL H 1.900 . 2.500 1.770 1.716 1.844 . 0 0 "[ . 1 . ]" 5
48 1 74 MET O 1 78 VAL N 2.800 2.400 3.400 2.630 2.563 2.691 . 0 0 "[ . 1 . ]" 5
49 1 84 ASP O 1 88 LEU H 1.900 . 2.500 1.877 1.819 1.920 . 0 0 "[ . 1 . ]" 5
50 1 84 ASP O 1 88 LEU N 2.800 2.400 3.400 2.590 2.496 2.664 . 0 0 "[ . 1 . ]" 5
51 1 85 ASP O 1 89 VAL H 1.900 . 2.500 2.443 1.974 2.557 0.057 15 0 "[ . 1 . ]" 5
52 1 85 ASP O 1 89 VAL N 2.800 2.400 3.400 3.234 2.818 3.355 . 0 0 "[ . 1 . ]" 5
53 1 87 GLN O 1 91 GLY H 1.900 . 2.500 2.154 1.995 2.439 . 0 0 "[ . 1 . ]" 5
54 1 87 GLN O 1 91 GLY N 2.800 2.400 3.400 2.880 2.706 3.177 . 0 0 "[ . 1 . ]" 5
55 1 88 LEU O 1 92 ILE H 1.900 . 2.500 2.084 1.995 2.167 . 0 0 "[ . 1 . ]" 5
56 1 88 LEU O 1 92 ILE N 2.800 2.400 3.400 2.722 2.645 2.789 . 0 0 "[ . 1 . ]" 5
57 1 89 VAL O 1 93 ALA H 1.900 . 2.500 2.163 2.039 2.427 . 0 0 "[ . 1 . ]" 5
58 1 89 VAL O 1 93 ALA N 2.800 2.400 3.400 2.987 2.834 3.229 . 0 0 "[ . 1 . ]" 5
59 1 92 ILE O 1 96 CYS H 1.900 . 2.500 2.411 1.953 2.545 0.045 16 0 "[ . 1 . ]" 5
60 1 92 ILE O 1 96 CYS N 2.800 2.400 3.400 3.108 2.761 3.270 . 0 0 "[ . 1 . ]" 5
61 1 95 GLU O 1 99 ASN H 1.900 . 2.500 2.308 1.969 2.530 0.030 15 0 "[ . 1 . ]" 5
62 1 95 GLU O 1 99 ASN N 2.800 2.400 3.400 3.002 2.745 3.277 . 0 0 "[ . 1 . ]" 5
63 1 106 GLU O 1 110 GLY H 1.900 . 2.500 2.064 1.853 2.384 . 0 0 "[ . 1 . ]" 5
64 1 106 GLU O 1 110 GLY N 2.800 2.400 3.400 2.865 2.516 3.212 . 0 0 "[ . 1 . ]" 5
65 1 108 ASN O 1 112 LYS H 1.900 . 2.500 2.263 1.945 2.516 0.016 2 0 "[ . 1 . ]" 5
66 1 108 ASN O 1 112 LYS N 2.800 2.400 3.400 3.035 2.777 3.312 . 0 0 "[ . 1 . ]" 5
67 1 109 ILE O 1 113 TYR H 1.900 . 2.500 2.079 1.882 2.403 . 0 0 "[ . 1 . ]" 5
68 1 109 ILE O 1 113 TYR N 2.800 2.400 3.400 2.705 2.502 3.192 . 0 0 "[ . 1 . ]" 5
69 1 112 LYS O 1 116 CYS H 1.900 . 2.500 2.484 2.006 2.606 0.106 14 0 "[ . 1 . ]" 5
70 1 112 LYS O 1 116 CYS N 2.800 2.400 3.400 3.115 2.798 3.411 0.011 11 0 "[ . 1 . ]" 5
71 1 114 THR O 1 118 ILE H 1.900 . 2.500 1.993 1.865 2.181 . 0 0 "[ . 1 . ]" 5
72 1 114 THR O 1 118 ILE N 2.800 2.400 3.400 2.758 2.583 2.966 . 0 0 "[ . 1 . ]" 5
73 1 116 CYS O 1 120 LYS H 1.900 . 2.500 2.102 1.960 2.340 . 0 0 "[ . 1 . ]" 5
74 1 116 CYS O 1 120 LYS N 2.800 2.400 3.400 2.984 2.880 3.100 . 0 0 "[ . 1 . ]" 5
75 1 117 TYR O 1 121 LEU H 1.900 . 2.500 2.442 1.913 2.552 0.052 8 0 "[ . 1 . ]" 5
76 1 117 TYR O 1 121 LEU N 2.800 2.400 3.400 3.063 2.742 3.189 . 0 0 "[ . 1 . ]" 5
77 1 118 ILE O 1 122 PHE H 1.900 . 2.500 2.563 2.473 2.603 0.103 12 0 "[ . 1 . ]" 5
78 1 118 ILE O 1 122 PHE N 2.800 2.400 3.400 3.045 2.687 3.212 . 0 0 "[ . 1 . ]" 5
stop_
save_
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