NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
468445 |
2a37   |
5923 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2a37
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 677
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 124.550
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0865
_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 MET 1.021 0.167 5 0 "[ . 1]"
1 2 GLU 1.021 0.167 5 0 "[ . 1]"
1 3 ALA 0.434 0.103 6 0 "[ . 1]"
1 4 ILE 0.144 0.058 8 0 "[ . 1]"
1 5 ALA 0.101 0.053 3 0 "[ . 1]"
1 6 LYS 0.050 0.048 9 0 "[ . 1]"
1 7 HIS 0.160 0.104 3 0 "[ . 1]"
1 8 ASP 0.000 0.000 . 0 "[ . 1]"
1 9 PHE 0.029 0.014 8 0 "[ . 1]"
1 10 SER 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 1.727 0.268 1 0 "[ . 1]"
1 12 THR 1.931 0.248 8 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 ASP 0.324 0.324 5 0 "[ . 1]"
1 15 ASP 0.324 0.324 5 0 "[ . 1]"
1 16 GLU 2.001 0.268 1 0 "[ . 1]"
1 17 LEU 0.502 0.195 1 0 "[ . 1]"
1 18 SER 0.000 0.000 . 0 "[ . 1]"
1 25 LEU 0.163 0.053 3 0 "[ . 1]"
1 26 LYS 0.000 0.000 . 0 "[ . 1]"
1 27 ILE 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.078 0.040 6 0 "[ . 1]"
1 29 ASN 0.447 0.255 7 0 "[ . 1]"
1 30 MET 0.480 0.255 7 0 "[ . 1]"
1 31 GLU 2.701 0.310 6 0 "[ . 1]"
1 32 ASP 3.844 0.310 6 0 "[ . 1]"
1 33 ASP 0.616 0.172 10 0 "[ . 1]"
1 34 SER 0.553 0.172 10 0 "[ . 1]"
1 35 ASN 1.290 0.274 9 0 "[ . 1]"
1 36 TRP 0.220 0.099 1 0 "[ . 1]"
1 37 TYR 0.168 0.087 8 0 "[ . 1]"
1 38 ARG 0.023 0.023 7 0 "[ . 1]"
1 39 ALA 0.045 0.028 9 0 "[ . 1]"
1 40 GLU 0.062 0.040 6 0 "[ . 1]"
1 41 LEU 0.053 0.041 1 0 "[ . 1]"
1 42 ASP 0.012 0.012 1 0 "[ . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 LYS 0.021 0.021 1 0 "[ . 1]"
1 45 GLU 0.127 0.058 1 0 "[ . 1]"
1 46 GLY 0.064 0.061 2 0 "[ . 1]"
1 47 LEU 0.718 0.195 1 0 "[ . 1]"
1 48 ILE 0.171 0.087 8 0 "[ . 1]"
1 49 PRO 2.111 0.248 8 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 TYR 0.097 0.022 8 0 "[ . 1]"
1 53 ILE 0.112 0.042 2 0 "[ . 1]"
1 54 GLU 0.029 0.016 4 0 "[ . 1]"
1 55 MET 0.034 0.015 2 0 "[ . 1]"
1 56 LYS 0.454 0.079 3 0 "[ . 1]"
1 57 ASN 0.239 0.103 6 0 "[ . 1]"
1 58 HIS 0.000 0.000 . 0 "[ . 1]"
1 59 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 1 MET HA 1 1 MET QG 3.400 . 5.200 2.498 2.145 2.827 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 2 GLU H 2.500 . 3.200 3.073 2.388 3.367 0.167 5 0 "[ . 1]" 1
3 1 1 MET QB 1 27 ILE MG 5.000 . 9.000 4.574 2.681 5.725 . 0 0 "[ . 1]" 1
4 1 1 MET ME 1 2 GLU H 5.000 . 8.000 5.278 3.631 6.609 . 0 0 "[ . 1]" 1
5 1 1 MET QG 1 2 GLU H 3.400 . 5.200 4.378 3.817 4.691 . 0 0 "[ . 1]" 1
6 1 1 MET QG 1 27 ILE MG 3.400 . 6.700 4.518 2.779 5.317 . 0 0 "[ . 1]" 1
7 1 2 GLU HA 1 3 ALA H 3.400 . 4.200 2.301 2.278 2.330 . 0 0 "[ . 1]" 1
8 1 2 GLU HA 1 25 LEU H 5.000 . 6.500 5.737 5.410 6.186 . 0 0 "[ . 1]" 1
9 1 2 GLU HA 1 26 LYS HA 2.500 . 3.200 2.917 2.720 3.068 . 0 0 "[ . 1]" 1
10 1 2 GLU HA 1 26 LYS QD 3.400 . 5.200 3.987 2.237 4.931 . 0 0 "[ . 1]" 1
11 1 2 GLU HA 1 26 LYS H 5.000 . 6.500 5.576 5.377 5.684 . 0 0 "[ . 1]" 1
12 1 2 GLU HA 1 27 ILE HA 5.000 . 6.500 5.563 4.991 5.874 . 0 0 "[ . 1]" 1
13 1 2 GLU HA 1 27 ILE MD 4.000 . 7.000 3.297 2.353 4.463 . 0 0 "[ . 1]" 1
14 1 2 GLU HA 1 27 ILE H 3.400 . 4.200 2.827 2.336 3.155 . 0 0 "[ . 1]" 1
15 1 2 GLU QB 1 3 ALA H 3.400 . 5.200 2.902 2.667 3.453 . 0 0 "[ . 1]" 1
16 1 2 GLU H 1 2 GLU QG 3.400 . 5.200 3.421 2.671 4.043 . 0 0 "[ . 1]" 1
17 1 2 GLU QG 1 3 ALA H 4.000 . 6.500 3.461 2.020 4.377 . 0 0 "[ . 1]" 1
18 1 3 ALA HA 1 4 ILE H 3.400 . 4.200 2.339 2.193 2.425 . 0 0 "[ . 1]" 1
19 1 3 ALA HA 1 25 LEU H 5.000 . 6.500 5.203 5.069 5.322 . 0 0 "[ . 1]" 1
20 1 3 ALA HA 1 53 ILE MD 4.000 . 7.000 5.022 3.850 5.977 . 0 0 "[ . 1]" 1
21 1 3 ALA HA 1 54 GLU H 4.000 . 5.500 4.738 4.228 4.977 . 0 0 "[ . 1]" 1
22 1 3 ALA HA 1 55 MET HA 3.400 . 4.200 3.192 2.804 3.647 . 0 0 "[ . 1]" 1
23 1 3 ALA HA 1 55 MET H 4.000 . 5.500 5.245 4.860 5.501 0.001 2 0 "[ . 1]" 1
24 1 3 ALA HA 1 56 LYS HA 4.000 . 5.500 4.084 3.687 4.485 . 0 0 "[ . 1]" 1
25 1 3 ALA HA 1 56 LYS QB 5.000 . 7.500 2.458 1.776 5.496 0.024 3 0 "[ . 1]" 1
26 1 3 ALA HA 1 56 LYS H 3.400 . 4.200 2.421 1.770 3.941 0.030 6 0 "[ . 1]" 1
27 1 3 ALA MB 1 4 ILE H 3.400 . 5.700 2.395 2.184 2.726 . 0 0 "[ . 1]" 1
28 1 3 ALA MB 1 27 ILE HA 5.000 . 8.000 5.037 4.522 5.327 . 0 0 "[ . 1]" 1
29 1 3 ALA MB 1 53 ILE MD 2.500 . 6.200 2.717 1.867 3.726 . 0 0 "[ . 1]" 1
30 1 3 ALA MB 1 53 ILE QG 2.500 . 5.700 3.718 2.126 4.516 . 0 0 "[ . 1]" 1
31 1 3 ALA MB 1 54 GLU H 3.400 . 5.700 3.155 2.917 3.643 . 0 0 "[ . 1]" 1
32 1 3 ALA MB 1 55 MET HA 2.500 . 4.700 2.551 1.838 3.237 . 0 0 "[ . 1]" 1
33 1 3 ALA MB 1 55 MET QG 4.000 . 8.000 4.147 2.959 5.151 . 0 0 "[ . 1]" 1
34 1 3 ALA MB 1 55 MET H 4.000 . 7.000 4.099 3.530 4.801 . 0 0 "[ . 1]" 1
35 1 3 ALA H 1 25 LEU MD1 5.000 . 8.000 4.820 3.532 6.304 . 0 0 "[ . 1]" 1
36 1 3 ALA H 1 25 LEU H 3.400 . 4.200 3.777 3.521 4.087 . 0 0 "[ . 1]" 1
37 1 3 ALA H 1 26 LYS QD 5.000 . 7.500 5.132 3.255 6.221 . 0 0 "[ . 1]" 1
38 1 3 ALA H 1 27 ILE H 4.000 . 5.500 4.002 3.611 4.424 . 0 0 "[ . 1]" 1
39 1 3 ALA H 1 53 ILE MD 4.000 . 7.000 5.814 5.081 7.042 0.042 2 0 "[ . 1]" 1
40 1 3 ALA H 1 56 LYS HA 5.000 . 6.500 6.425 5.766 6.579 0.079 3 0 "[ . 1]" 1
41 1 3 ALA H 1 57 ASN H 4.000 . 5.500 5.010 4.307 5.603 0.103 6 0 "[ . 1]" 1
42 1 4 ILE HA 1 4 ILE MD 3.400 . 5.700 3.344 2.068 3.753 . 0 0 "[ . 1]" 1
43 1 4 ILE HA 1 4 ILE MG 3.400 . 5.700 2.760 2.172 3.207 . 0 0 "[ . 1]" 1
44 1 4 ILE HA 1 5 ALA H 2.500 . 3.200 2.179 2.138 2.199 . 0 0 "[ . 1]" 1
45 1 4 ILE HB 1 4 ILE MD 2.500 . 4.700 2.643 2.061 3.220 . 0 0 "[ . 1]" 1
46 1 4 ILE H 1 4 ILE HB 3.400 . 4.200 3.283 2.856 3.971 . 0 0 "[ . 1]" 1
47 1 4 ILE HB 1 5 ALA H 4.000 . 5.500 3.700 2.898 4.172 . 0 0 "[ . 1]" 1
48 1 4 ILE H 1 4 ILE MD 4.000 . 7.000 3.920 2.408 4.682 . 0 0 "[ . 1]" 1
49 1 4 ILE MD 1 54 GLU QB 4.000 . 8.000 4.542 1.900 6.349 . 0 0 "[ . 1]" 1
50 1 4 ILE MD 1 54 GLU QG 4.000 . 8.000 4.788 1.784 7.320 0.016 4 0 "[ . 1]" 1
51 1 4 ILE MD 1 56 LYS QE 2.500 . 5.700 3.669 1.856 5.234 . 0 0 "[ . 1]" 1
52 1 4 ILE H 1 4 ILE QG 4.000 . 6.500 3.384 2.033 4.275 . 0 0 "[ . 1]" 1
53 1 4 ILE QG 1 5 ALA H 3.400 . 5.200 3.254 2.093 4.652 . 0 0 "[ . 1]" 1
54 1 4 ILE QG 1 53 ILE HA 4.000 . 6.500 5.832 4.901 6.531 0.031 3 0 "[ . 1]" 1
55 1 4 ILE H 1 4 ILE MG 3.400 . 5.700 2.833 2.013 3.984 . 0 0 "[ . 1]" 1
56 1 4 ILE MG 1 5 ALA H 3.400 . 5.700 3.498 2.088 4.169 . 0 0 "[ . 1]" 1
57 1 4 ILE MG 1 6 LYS H 5.000 . 8.000 5.129 4.187 6.557 . 0 0 "[ . 1]" 1
58 1 4 ILE MG 1 54 GLU H 3.400 . 5.700 4.233 2.657 5.337 . 0 0 "[ . 1]" 1
59 1 4 ILE MG 1 55 MET HA 5.000 . 8.000 5.815 4.799 7.664 . 0 0 "[ . 1]" 1
60 1 4 ILE MG 1 56 LYS HA 4.000 . 7.000 4.782 3.511 6.559 . 0 0 "[ . 1]" 1
61 1 4 ILE MG 1 56 LYS H 5.000 . 8.000 5.099 3.018 7.845 . 0 0 "[ . 1]" 1
62 1 4 ILE H 1 25 LEU MD1 5.000 . 8.000 4.799 3.959 5.852 . 0 0 "[ . 1]" 1
63 1 4 ILE H 1 53 ILE MD 5.000 . 8.000 4.710 3.358 5.878 . 0 0 "[ . 1]" 1
64 1 4 ILE H 1 53 ILE MG 4.000 . 7.000 5.030 4.407 5.709 . 0 0 "[ . 1]" 1
65 1 4 ILE H 1 54 GLU QB 4.000 . 6.500 3.977 3.020 4.900 . 0 0 "[ . 1]" 1
66 1 4 ILE H 1 54 GLU QG 5.000 . 7.500 4.481 3.059 5.824 . 0 0 "[ . 1]" 1
67 1 4 ILE H 1 54 GLU H 3.400 . 4.200 3.014 2.480 3.275 . 0 0 "[ . 1]" 1
68 1 4 ILE H 1 55 MET HA 4.000 . 5.500 4.293 3.985 4.671 . 0 0 "[ . 1]" 1
69 1 4 ILE H 1 56 LYS QG 3.400 . 5.200 4.489 2.923 5.258 0.058 8 0 "[ . 1]" 1
70 1 5 ALA HA 1 6 LYS H 2.500 . 3.200 2.134 2.108 2.156 . 0 0 "[ . 1]" 1
71 1 5 ALA HA 1 7 HIS H 4.000 . 5.500 3.414 3.292 3.530 . 0 0 "[ . 1]" 1
72 1 5 ALA HA 1 25 LEU MD1 4.000 . 7.000 4.044 2.954 5.108 . 0 0 "[ . 1]" 1
73 1 5 ALA HA 1 25 LEU MD2 5.000 . 8.000 4.760 2.774 6.366 . 0 0 "[ . 1]" 1
74 1 5 ALA HA 1 52 TYR HA 5.000 . 6.500 5.642 5.290 5.920 . 0 0 "[ . 1]" 1
75 1 5 ALA HA 1 53 ILE HA 2.500 . 3.200 2.568 2.346 2.778 . 0 0 "[ . 1]" 1
76 1 5 ALA HA 1 53 ILE MD 5.000 . 8.000 5.299 4.920 5.795 . 0 0 "[ . 1]" 1
77 1 5 ALA HA 1 53 ILE MG 2.500 . 4.700 2.863 1.841 4.716 0.016 3 0 "[ . 1]" 1
78 1 5 ALA HA 1 53 ILE H 5.000 . 6.500 5.214 4.925 5.482 . 0 0 "[ . 1]" 1
79 1 5 ALA HA 1 54 GLU H 4.000 . 5.500 3.880 3.633 4.264 . 0 0 "[ . 1]" 1
80 1 5 ALA MB 1 6 LYS H 3.400 . 5.700 3.194 3.119 3.284 . 0 0 "[ . 1]" 1
81 1 5 ALA MB 1 7 HIS H 3.400 . 5.700 2.934 2.746 3.161 . 0 0 "[ . 1]" 1
82 1 5 ALA MB 1 25 LEU MD1 5.000 . 9.500 3.414 2.265 4.830 . 0 0 "[ . 1]" 1
83 1 5 ALA MB 1 25 LEU HG 2.500 . 4.700 4.228 3.137 4.753 0.053 3 0 "[ . 1]" 1
84 1 5 ALA MB 1 53 ILE HA 4.000 . 7.000 4.102 3.909 4.327 . 0 0 "[ . 1]" 1
85 1 5 ALA H 1 25 LEU QB 4.000 . 6.500 4.744 3.848 5.176 . 0 0 "[ . 1]" 1
86 1 5 ALA H 1 25 LEU MD1 3.400 . 5.700 4.209 2.895 5.242 . 0 0 "[ . 1]" 1
87 1 5 ALA H 1 25 LEU MD2 4.000 . 7.000 4.414 2.124 6.237 . 0 0 "[ . 1]" 1
88 1 5 ALA H 1 25 LEU H 4.000 . 5.500 3.973 3.322 4.592 . 0 0 "[ . 1]" 1
89 1 5 ALA H 1 53 ILE HA 5.000 . 6.500 4.996 4.792 5.171 . 0 0 "[ . 1]" 1
90 1 6 LYS HA 1 6 LYS QG 3.400 . 5.200 2.645 2.134 3.430 . 0 0 "[ . 1]" 1
91 1 6 LYS HA 1 7 HIS H 3.400 . 4.200 3.378 3.312 3.458 . 0 0 "[ . 1]" 1
92 1 6 LYS HA 1 53 ILE HA 5.000 . 6.500 5.168 4.889 5.366 . 0 0 "[ . 1]" 1
93 1 6 LYS QB 1 7 HIS HD2 4.000 . 6.500 3.348 2.556 6.163 . 0 0 "[ . 1]" 1
94 1 6 LYS QB 1 7 HIS H 3.400 . 5.200 3.187 3.021 3.603 . 0 0 "[ . 1]" 1
95 1 6 LYS QB 1 52 TYR HA 4.000 . 6.500 4.044 3.481 5.018 . 0 0 "[ . 1]" 1
96 1 6 LYS QD 1 7 HIS H 3.400 . 5.200 4.378 2.945 5.021 . 0 0 "[ . 1]" 1
97 1 6 LYS H 1 6 LYS QG 3.400 . 5.200 3.258 2.025 4.159 . 0 0 "[ . 1]" 1
98 1 6 LYS QG 1 7 HIS HD2 5.000 . 7.500 4.258 2.557 5.318 . 0 0 "[ . 1]" 1
99 1 6 LYS QG 1 7 HIS H 4.000 . 6.500 4.088 2.320 4.739 . 0 0 "[ . 1]" 1
100 1 6 LYS QG 1 52 TYR HA 4.000 . 6.500 5.112 2.884 6.154 . 0 0 "[ . 1]" 1
101 1 6 LYS H 1 7 HIS H 3.400 . 4.200 2.220 2.153 2.289 . 0 0 "[ . 1]" 1
102 1 6 LYS H 1 25 LEU MD1 5.000 . 8.000 5.642 4.640 6.577 . 0 0 "[ . 1]" 1
103 1 6 LYS H 1 25 LEU MD2 5.000 . 8.000 6.475 4.535 8.048 0.048 9 0 "[ . 1]" 1
104 1 6 LYS H 1 52 TYR HA 5.000 . 6.500 4.409 4.242 4.598 . 0 0 "[ . 1]" 1
105 1 6 LYS H 1 52 TYR QB 5.000 . 7.500 4.380 4.186 4.534 . 0 0 "[ . 1]" 1
106 1 6 LYS H 1 53 ILE HA 3.400 . 4.200 2.481 2.185 2.707 . 0 0 "[ . 1]" 1
107 1 6 LYS H 1 53 ILE MD 5.000 . 8.000 5.899 5.396 6.373 . 0 0 "[ . 1]" 1
108 1 6 LYS H 1 53 ILE MG 3.400 . 5.700 3.792 2.900 5.101 . 0 0 "[ . 1]" 1
109 1 6 LYS H 1 53 ILE H 5.000 . 6.500 4.667 4.502 4.877 . 0 0 "[ . 1]" 1
110 1 6 LYS H 1 54 GLU H 4.000 . 5.500 4.065 3.387 4.646 . 0 0 "[ . 1]" 1
111 1 7 HIS HA 1 7 HIS HE1 4.000 . 5.500 4.889 4.492 5.438 . 0 0 "[ . 1]" 1
112 1 7 HIS H 1 7 HIS QB 3.400 . 5.200 2.859 2.719 2.922 . 0 0 "[ . 1]" 1
113 1 7 HIS QB 1 8 ASP H 3.400 . 5.200 2.194 1.970 3.509 . 0 0 "[ . 1]" 1
114 1 7 HIS QB 1 52 TYR HA 4.000 . 6.500 3.316 2.887 4.339 . 0 0 "[ . 1]" 1
115 1 7 HIS QB 1 52 TYR QB 5.000 . 8.500 3.518 2.950 4.085 . 0 0 "[ . 1]" 1
116 1 7 HIS QB 1 52 TYR QD 4.000 . 8.500 2.826 1.792 4.519 0.008 5 0 "[ . 1]" 1
117 1 7 HIS QB 1 52 TYR QE 4.000 . 8.500 3.469 2.161 5.388 . 0 0 "[ . 1]" 1
118 1 7 HIS HD2 1 52 TYR HA 3.400 . 4.200 3.359 2.791 4.098 . 0 0 "[ . 1]" 1
119 1 7 HIS H 1 7 HIS HE1 5.000 . 6.500 6.382 6.069 6.604 0.104 3 0 "[ . 1]" 1
120 1 7 HIS H 1 52 TYR QB 4.000 . 6.500 3.769 3.462 4.324 . 0 0 "[ . 1]" 1
121 1 7 HIS H 1 53 ILE HA 4.000 . 5.500 4.299 3.996 4.572 . 0 0 "[ . 1]" 1
122 1 8 ASP HA 1 9 PHE H 2.500 . 3.200 2.286 2.219 2.329 . 0 0 "[ . 1]" 1
123 1 8 ASP QB 1 9 PHE H 3.400 . 5.200 3.224 2.830 3.886 . 0 0 "[ . 1]" 1
124 1 8 ASP H 1 52 TYR QD 5.000 . 8.500 4.489 3.403 5.476 . 0 0 "[ . 1]" 1
125 1 9 PHE HA 1 9 PHE QE 5.000 . 8.500 4.959 4.666 5.385 . 0 0 "[ . 1]" 1
126 1 9 PHE HA 1 10 SER H 2.500 . 3.200 2.100 2.076 2.115 . 0 0 "[ . 1]" 1
127 1 9 PHE HA 1 52 TYR QE 4.000 . 7.500 3.206 2.612 4.350 . 0 0 "[ . 1]" 1
128 1 9 PHE H 1 9 PHE HB3 3.400 . 4.200 2.607 2.225 2.798 . 0 0 "[ . 1]" 1
129 1 9 PHE HB3 1 52 TYR QE 4.000 . 7.500 5.285 4.874 6.003 . 0 0 "[ . 1]" 1
130 1 9 PHE H 1 9 PHE HB2 3.400 . 4.200 3.543 3.086 3.859 . 0 0 "[ . 1]" 1
131 1 9 PHE HB2 1 10 SER H 4.000 . 5.500 3.785 3.512 3.991 . 0 0 "[ . 1]" 1
132 1 9 PHE HB2 1 36 TRP HZ3 5.000 . 6.500 6.240 5.380 6.514 0.014 8 0 "[ . 1]" 1
133 1 9 PHE HB2 1 52 TYR QD 3.400 . 6.200 2.350 1.801 3.541 . 0 0 "[ . 1]" 1
134 1 9 PHE HB2 1 52 TYR QE 4.000 . 7.500 4.029 3.652 4.744 . 0 0 "[ . 1]" 1
135 1 9 PHE H 1 9 PHE QD 4.000 . 7.500 4.050 3.673 4.314 . 0 0 "[ . 1]" 1
136 1 9 PHE QD 1 10 SER H 3.400 . 6.200 2.402 2.128 2.875 . 0 0 "[ . 1]" 1
137 1 9 PHE QD 1 49 PRO HB2 5.000 . 8.500 5.032 4.886 5.233 . 0 0 "[ . 1]" 1
138 1 9 PHE QD 1 49 PRO QD 4.000 . 8.500 2.593 2.295 2.775 . 0 0 "[ . 1]" 1
139 1 9 PHE QD 1 49 PRO QG 5.000 . 9.500 2.457 2.284 2.687 . 0 0 "[ . 1]" 1
140 1 9 PHE QE 1 10 SER H 5.000 . 8.500 4.186 3.844 4.900 . 0 0 "[ . 1]" 1
141 1 9 PHE QE 1 11 ALA HA 3.400 . 6.200 2.134 1.845 2.562 . 0 0 "[ . 1]" 1
142 1 9 PHE QE 1 11 ALA MB 4.000 . 9.000 3.309 2.750 3.679 . 0 0 "[ . 1]" 1
143 1 9 PHE QE 1 11 ALA H 5.000 . 8.500 3.629 3.198 4.104 . 0 0 "[ . 1]" 1
144 1 9 PHE QE 1 12 THR H 4.000 . 7.500 3.253 2.738 4.357 . 0 0 "[ . 1]" 1
145 1 9 PHE QE 1 17 LEU H 4.000 . 7.500 3.079 2.632 4.154 . 0 0 "[ . 1]" 1
146 1 9 PHE QE 1 36 TRP HZ3 4.000 . 7.500 3.784 3.401 4.074 . 0 0 "[ . 1]" 1
147 1 9 PHE QE 1 48 ILE HA 4.000 . 7.500 2.548 1.969 2.974 . 0 0 "[ . 1]" 1
148 1 9 PHE QE 1 48 ILE HB 5.000 . 8.500 3.557 2.218 4.550 . 0 0 "[ . 1]" 1
149 1 9 PHE QE 1 49 PRO QD 4.000 . 8.500 2.531 2.373 2.722 . 0 0 "[ . 1]" 1
150 1 9 PHE QE 1 49 PRO QG 4.000 . 8.500 3.374 2.916 4.226 . 0 0 "[ . 1]" 1
151 1 9 PHE H 1 52 TYR QD 4.000 . 7.500 4.303 2.843 5.312 . 0 0 "[ . 1]" 1
152 1 9 PHE HZ 1 11 ALA HA 4.000 . 5.500 2.981 2.216 4.787 . 0 0 "[ . 1]" 1
153 1 9 PHE HZ 1 36 TRP HE3 5.000 . 6.500 5.507 4.686 6.328 . 0 0 "[ . 1]" 1
154 1 9 PHE HZ 1 36 TRP HZ3 4.000 . 5.500 4.608 3.072 5.500 . 6 0 "[ . 1]" 1
155 1 10 SER HA 1 11 ALA H 2.500 . 3.200 2.074 2.044 2.108 . 0 0 "[ . 1]" 1
156 1 10 SER HA 1 18 SER HB3 4.000 . 5.500 3.082 2.199 3.938 . 0 0 "[ . 1]" 1
157 1 10 SER HA 1 18 SER HB2 4.000 . 5.500 3.833 2.777 4.595 . 0 0 "[ . 1]" 1
158 1 10 SER HA 1 18 SER H 5.000 . 6.500 5.536 5.364 5.812 . 0 0 "[ . 1]" 1
159 1 10 SER QB 1 11 ALA H 3.400 . 5.200 3.328 3.140 3.739 . 0 0 "[ . 1]" 1
160 1 10 SER H 1 52 TYR QE 4.000 . 7.500 4.187 3.225 5.456 . 0 0 "[ . 1]" 1
161 1 11 ALA HA 1 12 THR H 2.500 . 3.200 2.090 2.079 2.101 . 0 0 "[ . 1]" 1
162 1 11 ALA HA 1 13 ALA H 4.000 . 5.500 3.461 3.372 3.496 . 0 0 "[ . 1]" 1
163 1 11 ALA HA 1 16 GLU HA 5.000 . 6.500 5.184 5.025 5.449 . 0 0 "[ . 1]" 1
164 1 11 ALA HA 1 16 GLU QB 3.400 . 5.200 2.537 2.349 2.933 . 0 0 "[ . 1]" 1
165 1 11 ALA HA 1 16 GLU HG2 5.000 . 6.500 3.990 1.937 4.926 . 0 0 "[ . 1]" 1
166 1 11 ALA HA 1 16 GLU H 5.000 . 6.500 5.387 5.261 5.607 . 0 0 "[ . 1]" 1
167 1 11 ALA HA 1 17 LEU H 4.000 . 5.500 4.611 4.200 5.445 . 0 0 "[ . 1]" 1
168 1 11 ALA MB 1 12 THR H 3.400 . 5.700 2.905 2.868 2.941 . 0 0 "[ . 1]" 1
169 1 11 ALA MB 1 16 GLU HA 4.000 . 7.000 3.811 3.691 4.081 . 0 0 "[ . 1]" 1
170 1 11 ALA MB 1 16 GLU QB 2.500 . 5.700 1.794 1.700 2.003 0.100 9 0 "[ . 1]" 1
171 1 11 ALA MB 1 17 LEU H 4.000 . 7.000 3.304 3.023 3.925 . 0 0 "[ . 1]" 1
172 1 11 ALA MB 1 18 SER HB3 5.000 . 8.000 4.627 3.561 5.467 . 0 0 "[ . 1]" 1
173 1 11 ALA MB 1 18 SER H 4.000 . 7.000 4.664 4.431 4.777 . 0 0 "[ . 1]" 1
174 1 11 ALA H 1 13 ALA H 5.000 . 6.500 5.371 5.325 5.499 . 0 0 "[ . 1]" 1
175 1 11 ALA H 1 16 GLU QB 5.000 . 7.500 4.163 3.979 4.570 . 0 0 "[ . 1]" 1
176 1 11 ALA H 1 16 GLU H 5.000 2.800 6.500 6.646 6.585 6.768 0.268 1 0 "[ . 1]" 1
177 1 11 ALA H 1 18 SER HB3 4.000 . 5.500 3.748 2.501 4.696 . 0 0 "[ . 1]" 1
178 1 11 ALA H 1 18 SER HB2 4.000 . 5.500 4.288 2.796 4.829 . 0 0 "[ . 1]" 1
179 1 11 ALA H 1 18 SER H 5.000 . 6.500 5.180 5.006 5.370 . 0 0 "[ . 1]" 1
180 1 11 ALA H 1 48 ILE MG 5.000 . 8.000 6.286 5.870 7.169 . 0 0 "[ . 1]" 1
181 1 12 THR HA 1 12 THR MG 2.500 . 4.700 2.715 2.587 2.843 . 0 0 "[ . 1]" 1
182 1 12 THR HA 1 13 ALA H 3.400 . 4.200 3.131 3.104 3.226 . 0 0 "[ . 1]" 1
183 1 12 THR HB 1 49 PRO HA 5.000 . 6.500 6.693 6.640 6.748 0.248 8 0 "[ . 1]" 1
184 1 12 THR H 1 12 THR MG 3.400 . 5.700 3.662 3.575 3.741 . 0 0 "[ . 1]" 1
185 1 12 THR MG 1 13 ALA H 3.400 . 5.700 3.964 3.856 4.067 . 0 0 "[ . 1]" 1
186 1 12 THR H 1 13 ALA H 2.500 . 3.200 2.201 2.071 2.244 . 0 0 "[ . 1]" 1
187 1 12 THR H 1 16 GLU QB 3.400 . 5.200 3.026 2.845 3.545 . 0 0 "[ . 1]" 1
188 1 13 ALA HA 1 14 ASP H 3.400 . 4.200 2.353 2.338 2.383 . 0 0 "[ . 1]" 1
189 1 13 ALA HA 1 16 GLU H 5.000 . 6.500 5.235 5.065 6.046 . 0 0 "[ . 1]" 1
190 1 13 ALA MB 1 14 ASP H 3.400 . 5.700 2.419 2.346 2.533 . 0 0 "[ . 1]" 1
191 1 13 ALA MB 1 15 ASP H 3.400 . 5.700 2.884 2.442 5.353 . 0 0 "[ . 1]" 1
192 1 13 ALA MB 1 16 GLU HA 5.000 . 8.000 4.919 4.592 5.587 . 0 0 "[ . 1]" 1
193 1 13 ALA MB 1 16 GLU H 3.400 . 5.700 3.736 3.420 4.896 . 0 0 "[ . 1]" 1
194 1 13 ALA MB 1 47 LEU MD1 3.400 . 7.200 4.920 3.720 6.217 . 0 0 "[ . 1]" 1
195 1 13 ALA H 1 15 ASP H 5.000 . 6.500 5.003 4.833 6.120 . 0 0 "[ . 1]" 1
196 1 13 ALA H 1 16 GLU HA 5.000 . 6.500 5.525 5.292 5.871 . 0 0 "[ . 1]" 1
197 1 13 ALA H 1 16 GLU QB 3.400 . 5.200 2.631 2.383 3.132 . 0 0 "[ . 1]" 1
198 1 13 ALA H 1 16 GLU QG 4.000 . 6.500 3.546 2.444 4.447 . 0 0 "[ . 1]" 1
199 1 14 ASP HA 1 15 ASP H 3.400 . 4.200 3.340 2.194 3.474 . 0 0 "[ . 1]" 1
200 1 14 ASP HA 1 16 GLU H 4.000 . 5.500 3.677 3.281 3.737 . 0 0 "[ . 1]" 1
201 1 14 ASP QB 1 15 ASP H 3.400 . 5.200 2.900 2.720 3.481 . 0 0 "[ . 1]" 1
202 1 14 ASP H 1 15 ASP H 3.400 . 4.200 2.887 2.666 4.524 0.324 5 0 "[ . 1]" 1
203 1 14 ASP H 1 16 GLU H 5.000 . 6.500 4.484 4.356 5.144 . 0 0 "[ . 1]" 1
204 1 15 ASP HA 1 16 GLU H 3.400 . 4.200 3.082 3.051 3.124 . 0 0 "[ . 1]" 1
205 1 15 ASP HB3 1 47 LEU MD1 5.000 . 8.000 4.121 1.963 6.633 . 0 0 "[ . 1]" 1
206 1 15 ASP HB2 1 47 LEU MD1 4.000 . 7.000 4.180 2.261 5.960 . 0 0 "[ . 1]" 1
207 1 15 ASP H 1 16 GLU H 3.400 . 4.200 2.734 2.368 2.803 . 0 0 "[ . 1]" 1
208 1 16 GLU HA 1 16 GLU QG 3.400 . 5.200 2.291 2.060 2.620 . 0 0 "[ . 1]" 1
209 1 16 GLU HA 1 17 LEU H 2.500 . 3.200 2.355 2.183 2.431 . 0 0 "[ . 1]" 1
210 1 16 GLU HA 1 46 GLY QA 4.000 . 6.500 3.104 2.473 3.530 . 0 0 "[ . 1]" 1
211 1 16 GLU HA 1 47 LEU HA 5.000 . 6.500 3.915 3.679 4.232 . 0 0 "[ . 1]" 1
212 1 16 GLU HA 1 47 LEU QB 3.400 . 5.200 2.472 1.827 3.551 . 0 0 "[ . 1]" 1
213 1 16 GLU HA 1 47 LEU MD1 4.000 . 7.000 3.816 3.158 4.530 . 0 0 "[ . 1]" 1
214 1 16 GLU HA 1 47 LEU MD2 4.000 . 7.000 4.032 2.442 5.091 . 0 0 "[ . 1]" 1
215 1 16 GLU HA 1 47 LEU H 3.400 . 4.200 1.856 1.691 2.076 0.109 2 0 "[ . 1]" 1
216 1 16 GLU HA 1 48 ILE MG 5.000 . 8.000 5.104 4.145 6.365 . 0 0 "[ . 1]" 1
217 1 16 GLU QB 1 17 LEU H 3.400 . 5.200 2.615 2.300 3.265 . 0 0 "[ . 1]" 1
218 1 16 GLU QB 1 47 LEU H 4.000 . 6.500 3.956 3.700 4.258 . 0 0 "[ . 1]" 1
219 1 16 GLU H 1 16 GLU QG 3.400 . 5.200 3.293 2.411 3.970 . 0 0 "[ . 1]" 1
220 1 16 GLU QG 1 36 TRP QB 5.000 . 8.500 4.662 3.932 5.259 . 0 0 "[ . 1]" 1
221 1 16 GLU QG 1 47 LEU HA 4.000 . 6.500 4.083 3.605 5.371 . 0 0 "[ . 1]" 1
222 1 16 GLU QG 1 47 LEU MD1 4.000 . 8.000 3.413 2.297 4.289 . 0 0 "[ . 1]" 1
223 1 16 GLU QG 1 47 LEU MD2 4.000 . 8.000 2.964 1.847 3.744 . 0 0 "[ . 1]" 1
224 1 16 GLU QG 1 47 LEU H 4.000 . 6.500 3.363 2.883 3.892 . 0 0 "[ . 1]" 1
225 1 16 GLU H 1 47 LEU QB 5.000 . 7.500 4.356 3.786 5.596 . 0 0 "[ . 1]" 1
226 1 16 GLU H 1 47 LEU MD1 5.000 . 8.000 5.247 4.642 6.547 . 0 0 "[ . 1]" 1
227 1 16 GLU H 1 47 LEU H 5.000 . 6.500 4.231 3.993 4.503 . 0 0 "[ . 1]" 1
228 1 17 LEU HA 1 17 LEU MD1 2.500 . 4.700 3.536 2.855 3.783 . 0 0 "[ . 1]" 1
229 1 17 LEU HA 1 18 SER H 2.500 . 3.200 2.939 2.172 3.116 . 0 0 "[ . 1]" 1
230 1 17 LEU HA 1 46 GLY QA 4.000 . 6.500 3.539 3.242 3.843 . 0 0 "[ . 1]" 1
231 1 17 LEU HB3 1 46 GLY QA 4.000 . 6.500 3.454 2.416 3.977 . 0 0 "[ . 1]" 1
232 1 17 LEU HB3 1 46 GLY H 4.000 . 5.500 4.920 3.643 5.561 0.061 2 0 "[ . 1]" 1
233 1 17 LEU HB3 1 47 LEU H 4.000 . 5.500 5.288 4.738 5.695 0.195 1 0 "[ . 1]" 1
234 1 17 LEU H 1 17 LEU HB2 3.400 . 4.200 2.745 2.337 3.702 . 0 0 "[ . 1]" 1
235 1 17 LEU HB2 1 46 GLY QA 4.000 . 6.500 2.578 1.840 4.277 . 0 0 "[ . 1]" 1
236 1 17 LEU HB2 1 46 GLY H 5.000 . 6.500 4.198 3.378 5.327 . 0 0 "[ . 1]" 1
237 1 17 LEU H 1 17 LEU MD1 3.400 . 5.700 4.044 2.675 4.541 . 0 0 "[ . 1]" 1
238 1 17 LEU MD1 1 18 SER H 3.400 . 5.700 3.243 2.139 3.916 . 0 0 "[ . 1]" 1
239 1 17 LEU MD1 1 41 LEU H 4.000 . 7.000 3.259 1.929 4.943 . 0 0 "[ . 1]" 1
240 1 17 LEU MD1 1 44 LYS QE 5.000 . 9.000 5.088 2.862 7.666 . 0 0 "[ . 1]" 1
241 1 17 LEU MD1 1 45 GLU HA 4.000 . 7.000 3.407 2.474 5.332 . 0 0 "[ . 1]" 1
242 1 17 LEU MD1 1 45 GLU H 4.000 . 7.000 4.423 3.421 6.886 . 0 0 "[ . 1]" 1
243 1 17 LEU MD1 1 46 GLY QA 4.000 . 8.000 2.966 2.081 4.296 . 0 0 "[ . 1]" 1
244 1 17 LEU MD1 1 46 GLY H 3.400 . 5.700 3.377 2.451 4.558 . 0 0 "[ . 1]" 1
245 1 17 LEU MD1 1 47 LEU HA 5.000 . 8.000 5.607 4.661 6.621 . 0 0 "[ . 1]" 1
246 1 17 LEU H 1 17 LEU MD2 4.000 . 7.000 4.123 3.374 4.534 . 0 0 "[ . 1]" 1
247 1 17 LEU MD2 1 41 LEU H 3.400 . 5.700 3.965 2.935 4.837 . 0 0 "[ . 1]" 1
248 1 17 LEU MD2 1 45 GLU HA 4.000 . 7.000 4.496 2.610 5.542 . 0 0 "[ . 1]" 1
249 1 17 LEU MD2 1 45 GLU H 4.000 . 7.000 5.158 4.276 6.351 . 0 0 "[ . 1]" 1
250 1 17 LEU MD2 1 46 GLY H 3.400 . 5.700 4.518 2.136 5.558 . 0 0 "[ . 1]" 1
251 1 17 LEU HG 1 18 SER H 4.000 . 5.500 3.539 2.148 4.398 . 0 0 "[ . 1]" 1
252 1 17 LEU H 1 47 LEU H 3.400 . 4.200 3.243 2.483 3.674 . 0 0 "[ . 1]" 1
253 1 17 LEU H 1 48 ILE MG 4.000 . 7.000 3.765 2.876 4.977 . 0 0 "[ . 1]" 1
254 1 18 SER H 1 18 SER HB2 3.400 . 4.200 3.190 2.330 3.898 . 0 0 "[ . 1]" 1
255 1 25 LEU HA 1 25 LEU MD2 3.400 . 5.700 2.976 2.090 3.906 . 0 0 "[ . 1]" 1
256 1 25 LEU HA 1 26 LYS H 2.500 . 3.200 2.241 2.203 2.294 . 0 0 "[ . 1]" 1
257 1 25 LEU HA 1 39 ALA MB 4.000 . 7.000 3.923 3.150 4.497 . 0 0 "[ . 1]" 1
258 1 25 LEU QB 1 26 LYS H 3.400 . 5.200 3.037 2.874 3.224 . 0 0 "[ . 1]" 1
259 1 25 LEU QB 1 27 ILE HA 4.000 . 6.500 4.980 4.830 5.194 . 0 0 "[ . 1]" 1
260 1 25 LEU H 1 25 LEU MD1 4.000 . 7.000 3.506 3.133 4.114 . 0 0 "[ . 1]" 1
261 1 25 LEU MD1 1 26 LYS H 5.000 . 8.000 4.667 3.704 5.191 . 0 0 "[ . 1]" 1
262 1 25 LEU MD1 1 39 ALA MB 3.400 . 7.200 3.013 2.075 4.118 . 0 0 "[ . 1]" 1
263 1 25 LEU MD1 1 41 LEU MD1 4.000 . 8.500 4.971 2.492 6.712 . 0 0 "[ . 1]" 1
264 1 25 LEU MD1 1 41 LEU MD2 4.000 . 8.500 4.993 3.380 6.685 . 0 0 "[ . 1]" 1
265 1 25 LEU MD1 1 48 ILE HB 2.500 . 4.700 4.092 3.439 4.630 . 0 0 "[ . 1]" 1
266 1 25 LEU MD1 1 48 ILE MG 4.000 . 8.500 2.854 1.903 3.540 . 0 0 "[ . 1]" 1
267 1 25 LEU MD1 1 53 ILE HA 5.000 . 8.000 4.577 3.956 5.093 . 0 0 "[ . 1]" 1
268 1 25 LEU MD1 1 53 ILE MD 4.000 . 8.500 3.348 2.084 5.374 . 0 0 "[ . 1]" 1
269 1 25 LEU MD1 1 53 ILE MG 2.500 . 6.200 2.407 1.826 3.222 . 0 0 "[ . 1]" 1
270 1 25 LEU H 1 25 LEU MD2 3.400 . 5.700 3.466 1.891 4.418 . 0 0 "[ . 1]" 1
271 1 25 LEU MD2 1 26 LYS H 4.000 . 7.000 4.029 2.463 5.178 . 0 0 "[ . 1]" 1
272 1 25 LEU MD2 1 39 ALA HA 5.000 . 8.000 5.673 4.210 7.316 . 0 0 "[ . 1]" 1
273 1 25 LEU MD2 1 39 ALA MB 4.000 . 8.500 3.104 1.772 4.513 0.028 9 0 "[ . 1]" 1
274 1 25 LEU MD2 1 40 GLU H 4.000 . 7.000 5.041 3.056 6.714 . 0 0 "[ . 1]" 1
275 1 25 LEU MD2 1 41 LEU MD1 2.500 . 6.200 3.784 1.853 5.766 . 0 0 "[ . 1]" 1
276 1 25 LEU MD2 1 41 LEU MD2 2.500 . 6.200 3.849 2.013 5.687 . 0 0 "[ . 1]" 1
277 1 25 LEU H 1 25 LEU HG 4.000 . 5.500 2.635 1.801 3.578 . 0 0 "[ . 1]" 1
278 1 25 LEU H 1 41 LEU MD1 4.000 . 7.000 5.723 4.285 6.998 . 0 0 "[ . 1]" 1
279 1 26 LYS HA 1 26 LYS QG 3.400 . 5.200 2.427 2.045 2.983 . 0 0 "[ . 1]" 1
280 1 26 LYS HA 1 27 ILE H 2.500 . 3.200 2.156 2.136 2.185 . 0 0 "[ . 1]" 1
281 1 26 LYS HA 1 40 GLU H 4.000 . 5.500 4.528 4.373 4.735 . 0 0 "[ . 1]" 1
282 1 26 LYS QB 1 26 LYS QE 4.000 . 7.500 2.969 1.897 3.641 . 0 0 "[ . 1]" 1
283 1 26 LYS QB 1 27 ILE H 3.400 . 5.200 3.616 3.289 3.828 . 0 0 "[ . 1]" 1
284 1 26 LYS H 1 26 LYS QD 3.400 . 5.200 4.135 3.390 4.646 . 0 0 "[ . 1]" 1
285 1 26 LYS QD 1 40 GLU H 5.000 . 7.500 5.375 4.605 5.706 . 0 0 "[ . 1]" 1
286 1 26 LYS H 1 26 LYS QE 5.000 . 7.500 5.192 3.315 5.965 . 0 0 "[ . 1]" 1
287 1 26 LYS H 1 26 LYS QG 4.000 . 6.500 3.788 3.011 4.097 . 0 0 "[ . 1]" 1
288 1 26 LYS QG 1 27 ILE H 3.400 . 5.200 3.326 2.582 4.530 . 0 0 "[ . 1]" 1
289 1 26 LYS H 1 39 ALA HA 4.000 . 5.500 4.852 3.996 5.439 . 0 0 "[ . 1]" 1
290 1 26 LYS H 1 39 ALA MB 4.000 . 7.000 3.152 2.663 3.671 . 0 0 "[ . 1]" 1
291 1 26 LYS H 1 40 GLU H 3.400 . 4.200 3.031 2.706 3.507 . 0 0 "[ . 1]" 1
292 1 26 LYS H 1 41 LEU MD1 4.000 . 7.000 5.303 3.780 6.410 . 0 0 "[ . 1]" 1
293 1 26 LYS H 1 42 ASP H 5.000 . 6.500 5.996 5.450 6.482 . 0 0 "[ . 1]" 1
294 1 27 ILE HA 1 27 ILE MD 3.400 . 5.700 3.403 1.955 3.998 . 0 0 "[ . 1]" 1
295 1 27 ILE HA 1 27 ILE MG 2.500 . 4.700 2.309 2.040 2.606 . 0 0 "[ . 1]" 1
296 1 27 ILE HA 1 28 LEU H 3.400 . 4.200 2.135 2.104 2.194 . 0 0 "[ . 1]" 1
297 1 27 ILE HA 1 29 ASN H 4.000 . 5.500 3.785 3.686 3.878 . 0 0 "[ . 1]" 1
298 1 27 ILE HA 1 39 ALA HA 3.400 . 4.200 2.599 2.265 3.032 . 0 0 "[ . 1]" 1
299 1 27 ILE HA 1 39 ALA MB 3.400 . 5.700 2.546 2.004 3.142 . 0 0 "[ . 1]" 1
300 1 27 ILE HA 1 40 GLU H 4.000 . 5.500 3.993 3.378 4.535 . 0 0 "[ . 1]" 1
301 1 27 ILE HB 1 27 ILE MD 2.500 . 4.700 2.423 2.058 3.229 . 0 0 "[ . 1]" 1
302 1 27 ILE H 1 27 ILE HB 3.400 . 4.200 2.639 2.345 2.872 . 0 0 "[ . 1]" 1
303 1 27 ILE HB 1 28 LEU H 4.000 . 5.500 3.989 3.761 4.126 . 0 0 "[ . 1]" 1
304 1 27 ILE H 1 27 ILE MD 3.400 . 5.700 2.935 1.800 3.700 . 0 0 "[ . 1]" 1
305 1 27 ILE MD 1 28 LEU H 3.400 . 5.700 4.832 3.610 5.359 . 0 0 "[ . 1]" 1
306 1 27 ILE MD 1 29 ASN H 5.000 . 8.000 5.734 4.722 6.242 . 0 0 "[ . 1]" 1
307 1 27 ILE MD 1 39 ALA HA 4.000 . 7.000 5.239 3.700 6.118 . 0 0 "[ . 1]" 1
308 1 27 ILE QG 1 27 ILE MG 2.500 . 5.700 2.156 1.953 2.399 . 0 0 "[ . 1]" 1
309 1 27 ILE H 1 27 ILE QG 3.400 . 5.200 2.320 1.860 3.448 . 0 0 "[ . 1]" 1
310 1 27 ILE H 1 27 ILE MG 3.400 . 5.700 3.792 3.723 3.819 . 0 0 "[ . 1]" 1
311 1 27 ILE MG 1 28 LEU H 3.400 . 5.700 2.474 2.146 2.734 . 0 0 "[ . 1]" 1
312 1 27 ILE MG 1 29 ASN H 3.400 . 5.700 2.817 2.375 3.205 . 0 0 "[ . 1]" 1
313 1 27 ILE MG 1 37 TYR HA 4.000 . 7.000 5.040 4.574 5.546 . 0 0 "[ . 1]" 1
314 1 27 ILE MG 1 37 TYR HB2 3.400 . 5.700 4.668 2.681 5.351 . 0 0 "[ . 1]" 1
315 1 27 ILE MG 1 39 ALA HA 4.000 . 7.000 4.033 3.585 4.676 . 0 0 "[ . 1]" 1
316 1 27 ILE MG 1 40 GLU H 5.000 . 8.000 5.626 5.148 6.122 . 0 0 "[ . 1]" 1
317 1 27 ILE H 1 39 ALA HA 5.000 . 6.500 4.862 4.714 5.001 . 0 0 "[ . 1]" 1
318 1 28 LEU HA 1 28 LEU MD2 2.500 . 4.700 2.871 2.059 3.540 . 0 0 "[ . 1]" 1
319 1 28 LEU HA 1 29 ASN H 3.400 . 4.200 3.512 3.497 3.530 . 0 0 "[ . 1]" 1
320 1 28 LEU HA 1 39 ALA HA 5.000 . 6.500 5.303 4.883 5.882 . 0 0 "[ . 1]" 1
321 1 28 LEU HB2 1 29 ASN H 3.400 . 4.200 2.738 2.570 2.968 . 0 0 "[ . 1]" 1
322 1 28 LEU HB3 1 39 ALA HA 5.000 . 6.500 5.333 4.823 5.850 . 0 0 "[ . 1]" 1
323 1 28 LEU HB2 1 39 ALA HA 5.000 . 6.500 4.221 3.105 4.904 . 0 0 "[ . 1]" 1
324 1 28 LEU HG 1 39 ALA HA 3.400 . 4.200 3.392 2.215 4.217 0.017 5 0 "[ . 1]" 1
325 1 28 LEU HB3 1 40 GLU H 5.000 . 6.500 6.253 5.887 6.540 0.040 6 0 "[ . 1]" 1
326 1 28 LEU H 1 28 LEU MD1 4.000 . 7.000 3.278 2.397 4.275 . 0 0 "[ . 1]" 1
327 1 28 LEU MD1 1 29 ASN H 4.000 . 7.000 3.896 3.318 4.595 . 0 0 "[ . 1]" 1
328 1 28 LEU MD1 1 39 ALA HA 3.400 . 5.700 2.920 1.890 4.154 . 0 0 "[ . 1]" 1
329 1 28 LEU MD1 1 39 ALA H 5.000 . 8.000 4.376 3.539 5.586 . 0 0 "[ . 1]" 1
330 1 28 LEU MD1 1 40 GLU H 3.400 . 5.700 3.170 2.125 4.327 . 0 0 "[ . 1]" 1
331 1 28 LEU HG 1 29 ASN H 4.000 . 5.500 4.075 3.057 4.671 . 0 0 "[ . 1]" 1
332 1 28 LEU H 1 29 ASN HA 5.000 . 6.500 4.519 4.349 4.701 . 0 0 "[ . 1]" 1
333 1 28 LEU H 1 29 ASN QB 5.000 . 7.500 4.822 4.270 5.036 . 0 0 "[ . 1]" 1
334 1 28 LEU H 1 29 ASN H 3.400 . 4.200 1.932 1.825 2.068 . 0 0 "[ . 1]" 1
335 1 28 LEU H 1 38 ARG H 5.000 . 6.500 4.717 4.221 5.126 . 0 0 "[ . 1]" 1
336 1 28 LEU H 1 39 ALA HA 3.400 . 4.200 2.821 2.234 3.609 . 0 0 "[ . 1]" 1
337 1 28 LEU H 1 40 GLU H 4.000 . 5.500 4.658 4.128 5.283 . 0 0 "[ . 1]" 1
338 1 29 ASN HA 1 29 ASN HD22 5.000 . 6.500 5.184 4.775 5.369 . 0 0 "[ . 1]" 1
339 1 29 ASN HA 1 30 MET H 2.500 . 3.200 2.353 2.142 3.455 0.255 7 0 "[ . 1]" 1
340 1 29 ASN HA 1 31 GLU H 4.000 . 5.500 3.739 3.554 4.158 . 0 0 "[ . 1]" 1
341 1 29 ASN QB 1 29 ASN HD22 3.400 . 5.200 3.233 3.198 3.355 . 0 0 "[ . 1]" 1
342 1 29 ASN QB 1 30 MET H 3.400 . 5.200 3.094 2.834 3.738 . 0 0 "[ . 1]" 1
343 1 29 ASN QB 1 31 GLU H 4.000 . 6.500 2.642 2.238 3.711 . 0 0 "[ . 1]" 1
344 1 29 ASN QB 1 38 ARG H 3.400 . 5.200 4.618 4.215 5.223 0.023 7 0 "[ . 1]" 1
345 1 29 ASN QB 1 47 LEU MD2 5.000 . 9.000 7.104 5.704 8.238 . 0 0 "[ . 1]" 1
346 1 29 ASN HD21 1 30 MET H 5.000 . 6.500 4.731 3.122 5.526 . 0 0 "[ . 1]" 1
347 1 29 ASN HD21 1 38 ARG QB 5.000 . 7.500 3.003 2.357 3.708 . 0 0 "[ . 1]" 1
348 1 29 ASN HD22 1 30 MET H 5.000 . 6.500 5.666 3.479 6.496 . 0 0 "[ . 1]" 1
349 1 29 ASN HD22 1 31 GLU HA 5.000 . 6.500 4.894 2.600 6.567 0.067 8 0 "[ . 1]" 1
350 1 29 ASN HD22 1 31 GLU HB3 5.000 . 7.500 6.759 5.134 7.440 . 0 0 "[ . 1]" 1
351 1 29 ASN HD22 1 38 ARG QB 5.000 . 7.500 2.576 1.958 3.278 . 0 0 "[ . 1]" 1
352 1 29 ASN HD22 1 38 ARG QD 5.000 . 8.500 3.009 1.818 3.694 . 0 0 "[ . 1]" 1
353 1 29 ASN HD22 1 45 GLU QG 4.000 . 6.500 5.729 4.505 6.558 0.058 1 0 "[ . 1]" 1
354 1 29 ASN H 1 38 ARG QB 3.400 . 5.200 2.854 2.559 3.283 . 0 0 "[ . 1]" 1
355 1 29 ASN H 1 38 ARG H 3.400 . 4.200 3.833 3.488 4.109 . 0 0 "[ . 1]" 1
356 1 29 ASN H 1 39 ALA HA 4.000 . 5.500 4.123 3.595 4.687 . 0 0 "[ . 1]" 1
357 1 30 MET HA 1 31 GLU H 3.400 . 4.200 3.203 2.948 3.331 . 0 0 "[ . 1]" 1
358 1 30 MET HA 1 37 TYR HA 3.400 . 4.200 2.671 2.120 3.261 . 0 0 "[ . 1]" 1
359 1 30 MET HA 1 37 TYR QD 3.400 . 6.200 3.190 2.153 3.777 . 0 0 "[ . 1]" 1
360 1 30 MET QB 1 31 GLU H 4.000 . 6.500 3.786 3.266 4.043 . 0 0 "[ . 1]" 1
361 1 30 MET H 1 30 MET ME 4.000 . 7.000 3.963 2.140 4.957 . 0 0 "[ . 1]" 1
362 1 30 MET H 1 30 MET QG 3.400 . 5.200 2.833 1.891 4.372 . 0 0 "[ . 1]" 1
363 1 30 MET QG 1 31 GLU H 4.000 . 6.500 3.495 3.011 4.399 . 0 0 "[ . 1]" 1
364 1 30 MET QG 1 34 SER HA 5.000 . 7.500 5.831 3.249 7.333 . 0 0 "[ . 1]" 1
365 1 30 MET QG 1 37 TYR QE 5.000 . 9.500 3.572 2.698 5.271 . 0 0 "[ . 1]" 1
366 1 30 MET H 1 31 GLU H 3.400 . 4.200 2.395 2.254 2.500 . 0 0 "[ . 1]" 1
367 1 30 MET H 1 32 ASP H 5.000 . 6.500 6.291 4.597 6.599 0.099 7 0 "[ . 1]" 1
368 1 30 MET H 1 33 ASP H 5.000 . 6.500 6.028 5.640 6.430 . 0 0 "[ . 1]" 1
369 1 31 GLU HA 1 31 GLU QG 2.500 . 4.200 2.353 2.207 2.965 . 0 0 "[ . 1]" 1
370 1 31 GLU HA 1 32 ASP H 3.400 . 4.200 3.145 3.099 3.176 . 0 0 "[ . 1]" 1
371 1 31 GLU H 1 31 GLU HB3 3.400 . 4.200 3.761 3.056 4.096 . 0 0 "[ . 1]" 1
372 1 31 GLU HB3 1 32 ASP H 3.400 . 4.200 2.075 1.811 4.029 . 0 0 "[ . 1]" 1
373 1 31 GLU HB3 1 33 ASP H 5.000 . 6.500 3.217 2.688 5.213 . 0 0 "[ . 1]" 1
374 1 31 GLU HB2 1 33 ASP H 4.000 . 5.500 4.183 2.814 5.671 0.171 8 0 "[ . 1]" 1
375 1 31 GLU H 1 31 GLU QG 3.400 . 5.200 3.896 2.985 4.227 . 0 0 "[ . 1]" 1
376 1 31 GLU QG 1 33 ASP H 5.000 . 7.500 4.214 3.552 4.893 . 0 0 "[ . 1]" 1
377 1 31 GLU H 1 32 ASP H 3.400 . 4.200 4.279 2.523 4.510 0.310 6 0 "[ . 1]" 1
378 1 31 GLU H 1 37 TYR HA 4.000 . 5.500 4.580 4.170 5.279 . 0 0 "[ . 1]" 1
379 1 32 ASP HA 1 33 ASP H 3.400 . 4.200 3.067 3.016 3.106 . 0 0 "[ . 1]" 1
380 1 32 ASP H 1 35 ASN H 5.000 . 6.500 6.554 5.885 6.774 0.274 9 0 "[ . 1]" 1
381 1 33 ASP HA 1 34 SER HB2 5.000 . 6.500 4.832 4.123 5.936 . 0 0 "[ . 1]" 1
382 1 33 ASP HA 1 34 SER H 3.400 . 4.200 2.595 2.308 3.535 . 0 0 "[ . 1]" 1
383 1 33 ASP QB 1 35 ASN H 5.000 . 7.500 4.901 2.296 6.870 . 0 0 "[ . 1]" 1
384 1 33 ASP H 1 34 SER H 3.400 . 4.200 3.297 1.910 4.372 0.172 10 0 "[ . 1]" 1
385 1 34 SER HA 1 34 SER HB2 2.500 . 3.200 2.834 2.419 3.001 . 0 0 "[ . 1]" 1
386 1 34 SER HA 1 35 ASN H 3.400 . 4.200 3.302 3.023 3.601 . 0 0 "[ . 1]" 1
387 1 34 SER HA 1 37 TYR QE 3.400 . 6.200 3.983 2.088 5.698 . 0 0 "[ . 1]" 1
388 1 34 SER QB 1 37 TYR QE 5.000 . 9.500 4.702 3.605 6.492 . 0 0 "[ . 1]" 1
389 1 34 SER H 1 34 SER HB3 3.400 . 4.200 3.564 2.651 4.051 . 0 0 "[ . 1]" 1
390 1 34 SER QB 1 36 TRP H 4.000 . 6.500 3.875 3.025 5.035 . 0 0 "[ . 1]" 1
391 1 34 SER HB2 1 35 ASN H 4.000 . 5.500 3.012 1.836 4.080 . 0 0 "[ . 1]" 1
392 1 34 SER H 1 35 ASN H 3.400 . 4.200 3.582 2.672 4.308 0.108 10 0 "[ . 1]" 1
393 1 35 ASN HA 1 35 ASN HB3 2.500 . 3.200 2.780 2.386 3.011 . 0 0 "[ . 1]" 1
394 1 35 ASN HA 1 35 ASN HD22 5.000 . 6.500 4.200 3.550 5.021 . 0 0 "[ . 1]" 1
395 1 35 ASN HA 1 36 TRP H 3.400 . 4.200 3.447 3.280 3.526 . 0 0 "[ . 1]" 1
396 1 35 ASN HA 1 50 SER QB 5.000 . 7.500 2.627 2.142 3.099 . 0 0 "[ . 1]" 1
397 1 35 ASN HA 1 50 SER H 4.000 . 5.500 4.077 3.844 4.240 . 0 0 "[ . 1]" 1
398 1 35 ASN HB3 1 35 ASN HD21 3.400 . 5.200 2.539 2.111 3.363 . 0 0 "[ . 1]" 1
399 1 35 ASN HB3 1 35 ASN HD22 4.000 . 6.500 3.615 3.432 4.000 . 0 0 "[ . 1]" 1
400 1 35 ASN H 1 35 ASN HB3 3.400 . 4.200 3.153 2.468 3.646 . 0 0 "[ . 1]" 1
401 1 35 ASN HB3 1 36 TRP HD1 4.000 . 5.500 3.986 3.206 4.934 . 0 0 "[ . 1]" 1
402 1 35 ASN HB3 1 36 TRP HE1 4.000 . 5.500 4.262 3.585 5.527 0.027 5 0 "[ . 1]" 1
403 1 35 ASN HB2 1 35 ASN HD21 3.400 . 5.200 2.929 2.128 3.557 . 0 0 "[ . 1]" 1
404 1 35 ASN HB2 1 35 ASN HD22 3.400 . 5.200 3.794 3.436 4.093 . 0 0 "[ . 1]" 1
405 1 35 ASN H 1 35 ASN HB2 3.400 . 4.200 2.473 2.141 3.644 . 0 0 "[ . 1]" 1
406 1 35 ASN HB2 1 36 TRP HD1 4.000 . 5.500 4.467 3.467 4.982 . 0 0 "[ . 1]" 1
407 1 35 ASN HB2 1 36 TRP HE1 4.000 . 5.500 5.023 4.147 5.475 . 0 0 "[ . 1]" 1
408 1 35 ASN H 1 35 ASN HD21 4.000 . 5.500 4.306 1.801 5.062 . 0 0 "[ . 1]" 1
409 1 35 ASN H 1 35 ASN HD22 5.000 . 6.500 5.250 3.461 5.958 . 0 0 "[ . 1]" 1
410 1 35 ASN H 1 36 TRP HD1 4.000 . 5.500 4.584 4.125 4.978 . 0 0 "[ . 1]" 1
411 1 35 ASN H 1 36 TRP HE1 5.000 . 6.500 6.186 5.723 6.499 . 0 0 "[ . 1]" 1
412 1 35 ASN H 1 36 TRP H 3.400 . 4.200 2.569 1.960 2.729 . 0 0 "[ . 1]" 1
413 1 36 TRP HA 1 36 TRP HD1 4.000 . 5.500 4.426 4.281 4.601 . 0 0 "[ . 1]" 1
414 1 36 TRP HA 1 36 TRP HE3 4.000 . 5.500 2.563 2.224 2.788 . 0 0 "[ . 1]" 1
415 1 36 TRP HA 1 37 TYR H 4.000 . 5.500 2.229 2.176 2.324 . 0 0 "[ . 1]" 1
416 1 36 TRP HA 1 49 PRO HA 3.400 . 4.200 3.182 2.866 3.552 . 0 0 "[ . 1]" 1
417 1 36 TRP HA 1 49 PRO HB3 5.000 . 6.500 5.379 5.049 5.784 . 0 0 "[ . 1]" 1
418 1 36 TRP HA 1 49 PRO HB2 5.000 . 6.500 5.791 5.446 6.117 . 0 0 "[ . 1]" 1
419 1 36 TRP HA 1 50 SER HA 5.000 . 6.500 4.675 4.114 5.050 . 0 0 "[ . 1]" 1
420 1 36 TRP HA 1 50 SER H 3.400 . 4.200 2.756 2.166 3.119 . 0 0 "[ . 1]" 1
421 1 36 TRP HB3 1 36 TRP HE1 5.000 . 6.500 5.194 5.158 5.211 . 0 0 "[ . 1]" 1
422 1 36 TRP HB3 1 36 TRP HE3 4.000 . 5.500 2.822 2.707 2.958 . 0 0 "[ . 1]" 1
423 1 36 TRP HB3 1 36 TRP HZ3 5.000 . 6.500 5.161 5.066 5.270 . 0 0 "[ . 1]" 1
424 1 36 TRP HB3 1 37 TYR H 3.400 . 4.200 3.196 3.125 3.237 . 0 0 "[ . 1]" 1
425 1 36 TRP HB3 1 47 LEU QB 4.000 . 6.500 3.287 2.739 4.118 . 0 0 "[ . 1]" 1
426 1 36 TRP HB3 1 47 LEU MD1 4.000 . 7.000 3.589 1.806 4.947 . 0 0 "[ . 1]" 1
427 1 36 TRP HB3 1 47 LEU MD2 3.400 . 5.700 2.500 1.797 3.778 0.003 7 0 "[ . 1]" 1
428 1 36 TRP HB3 1 48 ILE H 5.000 . 6.500 4.098 3.745 4.606 . 0 0 "[ . 1]" 1
429 1 36 TRP HB3 1 49 PRO HA 5.000 . 6.500 4.829 4.278 5.135 . 0 0 "[ . 1]" 1
430 1 36 TRP HB2 1 36 TRP HE3 4.000 . 5.500 4.205 4.178 4.245 . 0 0 "[ . 1]" 1
431 1 36 TRP H 1 36 TRP HB2 3.400 . 4.200 2.585 2.458 2.776 . 0 0 "[ . 1]" 1
432 1 36 TRP HB2 1 47 LEU QB 4.000 . 6.500 4.775 4.166 5.672 . 0 0 "[ . 1]" 1
433 1 36 TRP HB2 1 47 LEU MD1 4.000 . 7.000 4.511 3.307 5.893 . 0 0 "[ . 1]" 1
434 1 36 TRP HB2 1 47 LEU MD2 3.400 . 5.700 3.332 2.423 4.488 . 0 0 "[ . 1]" 1
435 1 36 TRP HB2 1 48 ILE H 5.000 . 6.500 5.700 5.367 6.223 . 0 0 "[ . 1]" 1
436 1 36 TRP H 1 36 TRP HD1 3.400 . 4.200 3.533 3.188 3.885 . 0 0 "[ . 1]" 1
437 1 36 TRP H 1 36 TRP HE1 5.000 . 6.500 5.498 5.264 5.946 . 0 0 "[ . 1]" 1
438 1 36 TRP HE3 1 37 TYR H 5.000 . 6.500 3.366 3.210 3.626 . 0 0 "[ . 1]" 1
439 1 36 TRP HE3 1 47 LEU HA 5.000 . 6.500 5.207 4.187 5.842 . 0 0 "[ . 1]" 1
440 1 36 TRP HE3 1 47 LEU QB 4.000 . 6.500 3.469 2.292 4.402 . 0 0 "[ . 1]" 1
441 1 36 TRP HE3 1 47 LEU MD1 4.000 . 7.000 4.561 1.901 6.046 . 0 0 "[ . 1]" 1
442 1 36 TRP HE3 1 47 LEU MD2 5.000 . 8.000 3.746 3.042 4.883 . 0 0 "[ . 1]" 1
443 1 36 TRP HE3 1 48 ILE HA 3.400 . 4.200 3.921 3.414 4.253 0.053 9 0 "[ . 1]" 1
444 1 36 TRP HE3 1 48 ILE H 4.000 . 5.500 3.553 2.691 3.988 . 0 0 "[ . 1]" 1
445 1 36 TRP HE3 1 49 PRO HA 5.000 . 6.500 2.450 1.975 3.105 . 0 0 "[ . 1]" 1
446 1 36 TRP HE3 1 49 PRO QD 5.000 . 7.500 3.984 3.710 4.278 . 0 0 "[ . 1]" 1
447 1 36 TRP HH2 1 49 PRO HB2 5.000 . 6.500 4.496 4.221 4.779 . 0 0 "[ . 1]" 1
448 1 36 TRP HH2 1 49 PRO QD 5.000 . 7.500 4.565 3.283 5.230 . 0 0 "[ . 1]" 1
449 1 36 TRP HH2 1 49 PRO QG 4.000 . 6.500 4.260 3.717 4.682 . 0 0 "[ . 1]" 1
450 1 36 TRP HH2 1 52 TYR QD 4.000 . 7.500 6.678 6.292 7.509 0.009 10 0 "[ . 1]" 1
451 1 36 TRP H 1 49 PRO HA 5.000 . 6.500 5.757 5.450 6.177 . 0 0 "[ . 1]" 1
452 1 36 TRP HZ2 1 49 PRO HB3 5.000 . 6.500 4.747 4.191 5.293 . 0 0 "[ . 1]" 1
453 1 36 TRP HZ2 1 49 PRO HB2 5.000 . 6.500 6.067 5.814 6.599 0.099 1 0 "[ . 1]" 1
454 1 36 TRP HZ3 1 47 LEU QB 5.000 . 7.500 4.798 3.670 6.183 . 0 0 "[ . 1]" 1
455 1 36 TRP HZ3 1 48 ILE HA 4.000 . 5.500 3.816 2.789 4.474 . 0 0 "[ . 1]" 1
456 1 36 TRP HZ3 1 48 ILE HB 5.000 . 6.500 5.536 5.155 6.294 . 0 0 "[ . 1]" 1
457 1 36 TRP HZ3 1 49 PRO QD 4.000 . 6.500 2.730 1.857 3.223 . 0 0 "[ . 1]" 1
458 1 36 TRP HZ3 1 49 PRO QG 5.000 . 7.500 3.329 3.117 3.517 . 0 0 "[ . 1]" 1
459 1 37 TYR HA 1 37 TYR QD 2.500 . 5.200 2.271 1.782 3.584 0.018 1 0 "[ . 1]" 1
460 1 37 TYR HA 1 37 TYR QE 4.000 . 7.500 4.397 4.143 5.514 . 0 0 "[ . 1]" 1
461 1 37 TYR HA 1 38 ARG H 3.400 . 4.200 2.398 2.216 2.519 . 0 0 "[ . 1]" 1
462 1 37 TYR HB2 1 38 ARG H 3.400 . 4.200 3.747 2.617 4.199 . 0 0 "[ . 1]" 1
463 1 37 TYR HB3 1 48 ILE MD 4.000 . 7.000 3.342 2.066 5.411 . 0 0 "[ . 1]" 1
464 1 37 TYR HB3 1 48 ILE QG 5.000 . 7.500 4.285 2.570 5.430 . 0 0 "[ . 1]" 1
465 1 37 TYR HB3 1 48 ILE H 5.000 . 6.500 4.742 4.079 5.807 . 0 0 "[ . 1]" 1
466 1 37 TYR H 1 37 TYR HB3 3.400 . 4.200 3.639 3.525 3.814 . 0 0 "[ . 1]" 1
467 1 37 TYR HB2 1 39 ALA MB 5.000 . 8.000 4.808 4.200 5.103 . 0 0 "[ . 1]" 1
468 1 37 TYR HB2 1 48 ILE MD 4.000 . 7.000 2.908 1.769 4.537 0.031 10 0 "[ . 1]" 1
469 1 37 TYR HB2 1 48 ILE QG 4.000 . 6.500 3.609 1.862 5.334 . 0 0 "[ . 1]" 1
470 1 37 TYR HB2 1 48 ILE H 5.000 . 6.500 4.057 3.540 4.976 . 0 0 "[ . 1]" 1
471 1 37 TYR H 1 37 TYR QD 4.000 . 7.500 3.250 2.032 3.743 . 0 0 "[ . 1]" 1
472 1 37 TYR QD 1 38 ARG H 5.000 . 8.500 4.009 3.656 4.381 . 0 0 "[ . 1]" 1
473 1 37 TYR QD 1 47 LEU MD2 3.400 . 7.700 5.903 4.440 7.378 . 0 0 "[ . 1]" 1
474 1 37 TYR QD 1 48 ILE QG 5.000 . 9.500 4.716 1.713 6.587 0.087 8 0 "[ . 1]" 1
475 1 37 TYR QD 1 53 ILE MD 3.400 . 7.700 2.846 2.116 3.637 . 0 0 "[ . 1]" 1
476 1 37 TYR QD 1 53 ILE MG 4.000 . 9.000 5.014 3.519 6.235 . 0 0 "[ . 1]" 1
477 1 37 TYR H 1 37 TYR QE 5.000 . 8.500 5.252 3.836 5.598 . 0 0 "[ . 1]" 1
478 1 37 TYR QE 1 38 ARG H 5.000 . 8.500 5.792 5.455 6.457 . 0 0 "[ . 1]" 1
479 1 37 TYR QE 1 48 ILE MD 3.400 . 7.700 5.173 1.879 7.239 . 0 0 "[ . 1]" 1
480 1 37 TYR QE 1 48 ILE QG 4.000 . 8.500 6.403 2.568 8.475 . 0 0 "[ . 1]" 1
481 1 37 TYR QE 1 50 SER HA 3.400 . 6.200 4.611 1.932 5.454 . 0 0 "[ . 1]" 1
482 1 37 TYR QE 1 50 SER QB 4.000 . 8.500 3.816 3.260 4.440 . 0 0 "[ . 1]" 1
483 1 37 TYR QE 1 53 ILE MD 2.500 . 6.700 3.627 2.354 4.441 . 0 0 "[ . 1]" 1
484 1 37 TYR QE 1 53 ILE QG 4.000 . 8.500 4.703 1.985 6.180 . 0 0 "[ . 1]" 1
485 1 37 TYR QE 1 53 ILE MG 4.000 . 9.000 6.006 3.326 7.571 . 0 0 "[ . 1]" 1
486 1 37 TYR QE 1 55 MET HA 3.400 . 6.200 6.143 5.998 6.215 0.015 2 0 "[ . 1]" 1
487 1 37 TYR H 1 48 ILE MD 4.000 . 7.000 3.796 2.327 5.233 . 0 0 "[ . 1]" 1
488 1 37 TYR H 1 48 ILE QG 3.400 . 5.200 3.782 2.784 4.946 . 0 0 "[ . 1]" 1
489 1 37 TYR H 1 48 ILE H 3.400 . 4.200 2.771 2.528 3.072 . 0 0 "[ . 1]" 1
490 1 37 TYR H 1 49 PRO HA 4.000 . 5.500 4.149 3.770 4.627 . 0 0 "[ . 1]" 1
491 1 37 TYR H 1 50 SER H 5.000 . 6.500 3.725 3.309 4.185 . 0 0 "[ . 1]" 1
492 1 38 ARG HA 1 38 ARG QG 3.400 . 5.200 2.420 2.096 2.822 . 0 0 "[ . 1]" 1
493 1 38 ARG HA 1 39 ALA H 2.500 . 3.200 2.154 2.126 2.236 . 0 0 "[ . 1]" 1
494 1 38 ARG HA 1 46 GLY H 5.000 . 6.500 4.386 3.664 4.654 . 0 0 "[ . 1]" 1
495 1 38 ARG HA 1 47 LEU HA 2.500 . 3.200 2.217 1.955 2.528 . 0 0 "[ . 1]" 1
496 1 38 ARG HA 1 47 LEU MD2 3.400 . 5.700 4.636 3.140 5.618 . 0 0 "[ . 1]" 1
497 1 38 ARG HA 1 48 ILE H 4.000 . 5.500 3.565 3.207 3.920 . 0 0 "[ . 1]" 1
498 1 38 ARG QB 1 38 ARG HE 4.000 . 6.500 3.357 2.388 4.374 . 0 0 "[ . 1]" 1
499 1 38 ARG QB 1 39 ALA H 3.400 . 5.200 3.512 3.165 3.792 . 0 0 "[ . 1]" 1
500 1 38 ARG H 1 38 ARG QD 3.400 . 5.200 4.368 3.534 4.812 . 0 0 "[ . 1]" 1
501 1 38 ARG QD 1 39 ALA H 4.000 . 6.500 3.971 2.716 5.422 . 0 0 "[ . 1]" 1
502 1 38 ARG QD 1 47 LEU MD2 2.500 . 5.700 3.759 2.143 4.851 . 0 0 "[ . 1]" 1
503 1 38 ARG QD 1 48 ILE H 5.000 . 7.500 5.206 4.488 6.044 . 0 0 "[ . 1]" 1
504 1 38 ARG HE 1 39 ALA H 5.000 . 6.500 5.673 5.019 6.338 . 0 0 "[ . 1]" 1
505 1 38 ARG HE 1 47 LEU MD2 4.000 . 7.000 5.150 2.874 6.419 . 0 0 "[ . 1]" 1
506 1 38 ARG QG 1 39 ALA H 3.400 . 5.200 3.459 2.615 4.635 . 0 0 "[ . 1]" 1
507 1 39 ALA HA 1 40 GLU H 2.500 . 3.200 2.427 2.233 2.532 . 0 0 "[ . 1]" 1
508 1 39 ALA MB 1 40 GLU H 3.400 . 5.700 2.355 2.065 2.645 . 0 0 "[ . 1]" 1
509 1 39 ALA MB 1 45 GLU HA 5.000 . 8.000 5.024 4.578 5.201 . 0 0 "[ . 1]" 1
510 1 39 ALA MB 1 46 GLY H 4.000 . 7.000 4.542 4.316 4.743 . 0 0 "[ . 1]" 1
511 1 39 ALA MB 1 48 ILE QG 2.500 . 5.700 3.092 2.128 4.178 . 0 0 "[ . 1]" 1
512 1 39 ALA MB 1 48 ILE H 4.000 . 7.000 4.906 4.527 5.223 . 0 0 "[ . 1]" 1
513 1 39 ALA H 1 45 GLU HA 5.000 . 6.500 4.720 3.922 5.109 . 0 0 "[ . 1]" 1
514 1 39 ALA H 1 45 GLU QG 5.000 . 7.500 4.885 3.148 6.540 . 0 0 "[ . 1]" 1
515 1 39 ALA H 1 46 GLY QA 4.000 . 6.500 4.305 4.023 4.411 . 0 0 "[ . 1]" 1
516 1 39 ALA H 1 46 GLY H 3.400 . 4.200 3.136 2.458 3.425 . 0 0 "[ . 1]" 1
517 1 39 ALA H 1 47 LEU MD2 4.000 . 7.000 6.080 4.819 6.815 . 0 0 "[ . 1]" 1
518 1 39 ALA H 1 48 ILE MD 4.000 . 7.000 3.916 2.028 5.458 . 0 0 "[ . 1]" 1
519 1 39 ALA H 1 48 ILE MG 5.000 . 8.000 4.137 2.877 5.766 . 0 0 "[ . 1]" 1
520 1 40 GLU HA 1 41 LEU H 2.500 . 3.200 2.245 2.156 2.313 . 0 0 "[ . 1]" 1
521 1 40 GLU HA 1 42 ASP H 5.000 . 6.500 6.092 5.982 6.192 . 0 0 "[ . 1]" 1
522 1 40 GLU HA 1 43 GLY H 5.000 . 6.500 5.419 4.976 5.789 . 0 0 "[ . 1]" 1
523 1 40 GLU HA 1 44 LYS H 5.000 . 6.500 4.242 3.787 4.499 . 0 0 "[ . 1]" 1
524 1 40 GLU HA 1 45 GLU HA 2.500 . 3.200 2.140 1.942 2.424 . 0 0 "[ . 1]" 1
525 1 40 GLU HA 1 45 GLU H 5.000 . 6.500 4.493 4.222 4.639 . 0 0 "[ . 1]" 1
526 1 40 GLU HA 1 46 GLY H 3.400 . 4.200 3.636 3.359 4.169 . 0 0 "[ . 1]" 1
527 1 40 GLU QB 1 41 LEU H 3.400 . 5.200 3.272 2.680 3.670 . 0 0 "[ . 1]" 1
528 1 40 GLU QB 1 43 GLY H 5.000 . 7.500 4.313 3.677 5.238 . 0 0 "[ . 1]" 1
529 1 40 GLU H 1 40 GLU QG 4.000 . 6.500 3.549 2.158 4.143 . 0 0 "[ . 1]" 1
530 1 40 GLU QG 1 41 LEU H 3.400 . 5.200 3.033 2.283 4.090 . 0 0 "[ . 1]" 1
531 1 40 GLU QG 1 42 ASP H 5.000 . 7.500 5.323 4.059 6.908 . 0 0 "[ . 1]" 1
532 1 40 GLU QG 1 43 GLY QA 4.000 . 7.500 3.847 3.010 5.355 . 0 0 "[ . 1]" 1
533 1 40 GLU QG 1 43 GLY H 4.000 . 6.500 4.024 2.804 5.656 . 0 0 "[ . 1]" 1
534 1 40 GLU QG 1 44 LYS H 4.000 . 6.500 3.624 2.638 5.566 . 0 0 "[ . 1]" 1
535 1 40 GLU H 1 45 GLU HA 5.000 . 6.500 4.606 4.390 4.848 . 0 0 "[ . 1]" 1
536 1 41 LEU HA 1 41 LEU MD1 2.500 . 4.700 3.099 1.759 3.919 0.041 1 0 "[ . 1]" 1
537 1 41 LEU HA 1 41 LEU MD2 3.400 . 5.700 3.748 2.954 4.098 . 0 0 "[ . 1]" 1
538 1 41 LEU HA 1 42 ASP H 2.500 . 3.200 2.141 2.122 2.170 . 0 0 "[ . 1]" 1
539 1 41 LEU HA 1 43 GLY H 5.000 . 6.500 3.606 3.358 3.814 . 0 0 "[ . 1]" 1
540 1 41 LEU HB3 1 41 LEU MD1 2.500 . 4.700 2.913 2.600 3.182 . 0 0 "[ . 1]" 1
541 1 41 LEU HB2 1 42 ASP H 4.000 . 5.500 3.870 3.153 4.395 . 0 0 "[ . 1]" 1
542 1 41 LEU HB2 1 43 GLY H 5.000 . 6.500 5.634 5.201 5.938 . 0 0 "[ . 1]" 1
543 1 41 LEU H 1 41 LEU MD1 4.000 . 7.000 4.541 4.107 4.817 . 0 0 "[ . 1]" 1
544 1 41 LEU MD1 1 42 ASP H 3.400 . 5.700 3.322 1.880 4.506 . 0 0 "[ . 1]" 1
545 1 41 LEU MD1 1 44 LYS H 5.000 . 8.000 5.397 4.708 6.132 . 0 0 "[ . 1]" 1
546 1 41 LEU MD2 1 42 ASP H 5.000 . 8.000 4.255 2.310 5.040 . 0 0 "[ . 1]" 1
547 1 41 LEU MD2 1 44 LYS H 5.000 . 8.000 4.921 3.965 6.116 . 0 0 "[ . 1]" 1
548 1 41 LEU MD2 1 45 GLU HA 4.000 . 7.000 5.979 4.141 6.962 . 0 0 "[ . 1]" 1
549 1 41 LEU MD2 1 46 GLY QA 5.000 . 9.000 5.953 4.154 7.360 . 0 0 "[ . 1]" 1
550 1 41 LEU HG 1 42 ASP H 3.400 . 4.200 3.409 2.727 4.212 0.012 1 0 "[ . 1]" 1
551 1 41 LEU H 1 43 GLY H 3.400 . 4.200 3.826 3.499 4.197 . 0 0 "[ . 1]" 1
552 1 41 LEU H 1 44 LYS H 3.400 . 4.200 2.577 2.224 2.831 . 0 0 "[ . 1]" 1
553 1 41 LEU H 1 45 GLU HA 3.400 . 4.200 3.589 3.391 3.733 . 0 0 "[ . 1]" 1
554 1 41 LEU H 1 45 GLU H 5.000 . 6.500 4.780 4.673 4.899 . 0 0 "[ . 1]" 1
555 1 42 ASP H 1 42 ASP HA 2.500 . 3.200 2.269 2.258 2.283 . 0 0 "[ . 1]" 1
556 1 42 ASP HA 1 43 GLY H 3.400 . 4.200 2.874 2.747 2.976 . 0 0 "[ . 1]" 1
557 1 42 ASP HA 1 44 LYS H 4.000 . 5.500 4.439 4.243 4.584 . 0 0 "[ . 1]" 1
558 1 42 ASP HB3 1 43 GLY H 5.000 . 6.500 4.302 4.147 4.605 . 0 0 "[ . 1]" 1
559 1 42 ASP HB2 1 43 GLY H 5.000 . 6.500 4.407 4.121 4.603 . 0 0 "[ . 1]" 1
560 1 42 ASP HB3 1 44 LYS H 5.000 . 6.500 4.274 3.729 5.177 . 0 0 "[ . 1]" 1
561 1 42 ASP HB2 1 44 LYS H 5.000 . 6.500 4.493 3.767 5.077 . 0 0 "[ . 1]" 1
562 1 42 ASP H 1 43 GLY QA 5.000 . 7.500 4.647 4.564 4.692 . 0 0 "[ . 1]" 1
563 1 42 ASP H 1 43 GLY H 3.400 . 4.200 2.771 2.676 2.821 . 0 0 "[ . 1]" 1
564 1 42 ASP H 1 44 LYS H 4.000 . 5.500 4.091 4.007 4.176 . 0 0 "[ . 1]" 1
565 1 43 GLY QA 1 45 GLU HA 5.000 . 7.500 6.263 6.169 6.358 . 0 0 "[ . 1]" 1
566 1 43 GLY H 1 44 LYS H 3.400 . 4.200 2.509 2.425 2.609 . 0 0 "[ . 1]" 1
567 1 44 LYS H 1 44 LYS QD 3.400 . 5.200 4.290 3.114 4.780 . 0 0 "[ . 1]" 1
568 1 44 LYS QD 1 45 GLU H 2.500 . 4.200 3.441 2.042 4.221 0.021 1 0 "[ . 1]" 1
569 1 44 LYS H 1 44 LYS QG 3.400 . 5.200 3.782 2.532 4.119 . 0 0 "[ . 1]" 1
570 1 44 LYS QG 1 45 GLU H 4.000 . 6.500 3.190 2.277 4.593 . 0 0 "[ . 1]" 1
571 1 45 GLU HA 1 46 GLY H 2.500 . 3.200 2.254 2.146 2.410 . 0 0 "[ . 1]" 1
572 1 45 GLU QB 1 46 GLY H 3.400 . 5.200 3.055 2.367 3.490 . 0 0 "[ . 1]" 1
573 1 45 GLU H 1 45 GLU QG 3.400 . 5.200 3.292 1.927 4.141 . 0 0 "[ . 1]" 1
574 1 45 GLU QG 1 46 GLY H 4.000 . 6.500 2.829 1.797 4.040 0.003 1 0 "[ . 1]" 1
575 1 46 GLY QA 1 47 LEU H 3.400 . 5.200 2.177 2.137 2.219 . 0 0 "[ . 1]" 1
576 1 46 GLY QA 1 47 LEU MD1 5.000 . 9.000 4.122 2.947 5.407 . 0 0 "[ . 1]" 1
577 1 47 LEU HA 1 47 LEU MD2 2.500 . 4.700 3.557 2.556 4.102 . 0 0 "[ . 1]" 1
578 1 47 LEU HA 1 48 ILE H 2.500 . 3.200 2.275 2.227 2.334 . 0 0 "[ . 1]" 1
579 1 47 LEU QB 1 48 ILE H 3.400 . 5.200 2.778 2.383 3.067 . 0 0 "[ . 1]" 1
580 1 47 LEU H 1 47 LEU MD1 3.400 . 5.700 3.185 2.148 4.171 . 0 0 "[ . 1]" 1
581 1 47 LEU MD1 1 48 ILE H 4.000 . 7.000 3.775 2.443 4.720 . 0 0 "[ . 1]" 1
582 1 47 LEU H 1 47 LEU MD2 3.400 . 5.700 3.883 2.627 4.529 . 0 0 "[ . 1]" 1
583 1 47 LEU MD2 1 48 ILE H 3.400 . 5.700 3.943 2.669 4.574 . 0 0 "[ . 1]" 1
584 1 48 ILE HA 1 48 ILE MD 4.000 . 7.000 3.928 3.521 4.166 . 0 0 "[ . 1]" 1
585 1 48 ILE HA 1 48 ILE MG 2.500 . 4.700 2.391 1.998 2.938 . 0 0 "[ . 1]" 1
586 1 48 ILE HB 1 48 ILE MD 2.500 . 4.700 2.428 2.028 3.230 . 0 0 "[ . 1]" 1
587 1 48 ILE MD 1 48 ILE MG 3.400 . 7.200 2.352 1.825 2.967 . 0 0 "[ . 1]" 1
588 1 48 ILE H 1 48 ILE MD 4.000 . 7.000 3.379 2.068 4.146 . 0 0 "[ . 1]" 1
589 1 48 ILE MD 1 52 TYR H 4.000 . 7.000 5.581 4.443 6.864 . 0 0 "[ . 1]" 1
590 1 48 ILE MD 1 53 ILE H 5.000 . 8.000 5.255 4.188 6.616 . 0 0 "[ . 1]" 1
591 1 48 ILE H 1 48 ILE QG 3.400 . 5.200 2.703 1.807 4.038 . 0 0 "[ . 1]" 1
592 1 48 ILE H 1 48 ILE MG 3.400 . 5.700 3.256 2.386 3.968 . 0 0 "[ . 1]" 1
593 1 49 PRO HA 1 51 ASN H 4.000 . 5.500 3.932 3.765 4.268 . 0 0 "[ . 1]" 1
594 1 49 PRO HB3 1 50 SER H 4.000 . 5.500 4.159 4.039 4.211 . 0 0 "[ . 1]" 1
595 1 49 PRO HB3 1 51 ASN H 4.000 . 5.500 4.598 4.341 5.024 . 0 0 "[ . 1]" 1
596 1 49 PRO HB3 1 52 TYR QD 4.000 . 7.500 4.411 3.698 5.508 . 0 0 "[ . 1]" 1
597 1 49 PRO HB3 1 52 TYR QE 5.000 . 8.500 5.087 4.122 6.460 . 0 0 "[ . 1]" 1
598 1 49 PRO HB3 1 52 TYR H 4.000 . 5.500 4.890 4.728 5.027 . 0 0 "[ . 1]" 1
599 1 49 PRO HB2 1 50 SER H 4.000 . 5.500 3.753 3.733 3.798 . 0 0 "[ . 1]" 1
600 1 49 PRO HB2 1 51 ASN H 3.400 . 4.200 3.144 2.787 3.657 . 0 0 "[ . 1]" 1
601 1 49 PRO HB2 1 52 TYR QB 5.000 . 7.500 3.439 2.507 4.032 . 0 0 "[ . 1]" 1
602 1 49 PRO HB2 1 52 TYR QD 4.000 . 7.500 3.244 2.341 4.274 . 0 0 "[ . 1]" 1
603 1 49 PRO HB2 1 52 TYR QE 4.000 . 7.500 4.330 3.094 5.564 . 0 0 "[ . 1]" 1
604 1 49 PRO HB2 1 52 TYR H 4.000 . 5.500 3.271 3.072 3.393 . 0 0 "[ . 1]" 1
605 1 49 PRO QD 1 53 ILE MG 5.000 . 9.000 3.778 3.248 4.311 . 0 0 "[ . 1]" 1
606 1 49 PRO QG 1 50 SER H 5.000 . 7.500 4.715 4.666 4.775 . 0 0 "[ . 1]" 1
607 1 49 PRO QG 1 52 TYR QB 4.000 . 7.500 1.884 1.778 2.268 0.022 8 0 "[ . 1]" 1
608 1 49 PRO QG 1 52 TYR QD 4.000 . 8.500 2.573 1.782 3.392 0.018 9 0 "[ . 1]" 1
609 1 49 PRO QG 1 52 TYR H 5.000 . 7.500 3.144 2.833 3.679 . 0 0 "[ . 1]" 1
610 1 50 SER HA 1 52 TYR H 4.000 . 5.500 3.893 3.632 4.065 . 0 0 "[ . 1]" 1
611 1 50 SER HA 1 53 ILE MD 3.500 . 5.700 3.106 2.119 3.839 . 0 0 "[ . 1]" 1
612 1 50 SER HA 1 53 ILE QG 4.000 . 6.500 3.001 2.372 5.061 . 0 0 "[ . 1]" 1
613 1 50 SER HA 1 53 ILE MG 4.000 . 7.000 3.977 2.110 4.779 . 0 0 "[ . 1]" 1
614 1 50 SER HA 1 53 ILE H 4.000 . 5.500 3.959 3.763 4.096 . 0 0 "[ . 1]" 1
615 1 50 SER QB 1 51 ASN H 4.000 . 6.500 3.319 2.715 3.917 . 0 0 "[ . 1]" 1
616 1 50 SER H 1 51 ASN H 3.400 . 4.200 3.005 2.886 3.131 . 0 0 "[ . 1]" 1
617 1 50 SER H 1 52 TYR H 5.000 . 6.500 4.456 4.135 4.760 . 0 0 "[ . 1]" 1
618 1 50 SER H 1 53 ILE H 5.000 . 6.500 5.842 5.567 6.045 . 0 0 "[ . 1]" 1
619 1 51 ASN HA 1 51 ASN HD21 4.000 . 5.500 3.623 2.706 4.246 . 0 0 "[ . 1]" 1
620 1 51 ASN HA 1 51 ASN HD22 5.000 . 6.500 4.282 3.527 5.061 . 0 0 "[ . 1]" 1
621 1 51 ASN HA 1 53 ILE H 4.000 . 5.500 3.754 3.698 3.872 . 0 0 "[ . 1]" 1
622 1 51 ASN QB 1 51 ASN HD22 3.400 . 5.200 3.285 3.213 3.361 . 0 0 "[ . 1]" 1
623 1 51 ASN QB 1 52 TYR H 4.000 . 6.500 3.233 3.023 3.725 . 0 0 "[ . 1]" 1
624 1 51 ASN QB 1 53 ILE H 5.000 . 7.500 4.749 4.579 4.895 . 0 0 "[ . 1]" 1
625 1 51 ASN H 1 51 ASN HD21 4.000 . 5.500 3.659 1.838 4.791 . 0 0 "[ . 1]" 1
626 1 51 ASN H 1 51 ASN HD22 5.000 . 6.500 4.584 3.043 5.943 . 0 0 "[ . 1]" 1
627 1 51 ASN H 1 52 TYR HA 5.000 . 6.500 5.048 4.653 5.273 . 0 0 "[ . 1]" 1
628 1 51 ASN H 1 52 TYR QB 4.000 . 6.500 4.294 3.707 4.593 . 0 0 "[ . 1]" 1
629 1 51 ASN H 1 52 TYR H 3.400 . 4.200 2.415 1.890 2.724 . 0 0 "[ . 1]" 1
630 1 51 ASN H 1 53 ILE H 4.000 . 5.500 4.149 3.615 4.523 . 0 0 "[ . 1]" 1
631 1 52 TYR HA 1 52 TYR QD 4.000 . 7.500 2.476 1.809 3.132 . 0 0 "[ . 1]" 1
632 1 52 TYR HA 1 53 ILE H 3.400 . 4.200 3.256 3.224 3.301 . 0 0 "[ . 1]" 1
633 1 52 TYR QB 1 52 TYR QE 4.000 . 8.500 3.966 3.937 3.996 . 0 0 "[ . 1]" 1
634 1 52 TYR H 1 52 TYR QB 3.400 . 5.200 2.285 2.165 2.422 . 0 0 "[ . 1]" 1
635 1 52 TYR QB 1 53 ILE H 4.000 . 6.500 3.529 3.449 3.583 . 0 0 "[ . 1]" 1
636 1 52 TYR H 1 52 TYR QD 3.400 . 6.200 2.920 2.007 3.892 . 0 0 "[ . 1]" 1
637 1 52 TYR QD 1 53 ILE H 5.000 . 8.500 4.626 4.257 4.978 . 0 0 "[ . 1]" 1
638 1 52 TYR H 1 52 TYR QE 4.000 . 7.500 5.001 4.353 5.677 . 0 0 "[ . 1]" 1
639 1 52 TYR H 1 53 ILE H 3.400 . 4.200 2.558 2.466 2.625 . 0 0 "[ . 1]" 1
640 1 53 ILE HA 1 53 ILE MD 4.000 . 7.000 3.907 3.484 4.171 . 0 0 "[ . 1]" 1
641 1 53 ILE HA 1 53 ILE MG 2.500 . 4.700 2.425 2.128 3.193 . 0 0 "[ . 1]" 1
642 1 53 ILE HA 1 54 GLU H 2.500 . 3.200 2.414 2.124 2.635 . 0 0 "[ . 1]" 1
643 1 53 ILE HB 1 54 GLU H 3.400 . 4.200 2.475 1.976 3.745 . 0 0 "[ . 1]" 1
644 1 53 ILE MD 1 54 GLU H 3.400 . 5.700 3.419 2.251 4.289 . 0 0 "[ . 1]" 1
645 1 53 ILE MD 1 55 MET HA 4.000 . 7.000 4.248 3.427 5.184 . 0 0 "[ . 1]" 1
646 1 53 ILE MD 1 55 MET QG 3.400 . 6.700 5.100 3.827 6.003 . 0 0 "[ . 1]" 1
647 1 53 ILE MD 1 55 MET H 4.000 . 7.000 4.239 3.428 5.368 . 0 0 "[ . 1]" 1
648 1 53 ILE H 1 53 ILE QG 3.400 . 5.200 2.601 2.041 4.249 . 0 0 "[ . 1]" 1
649 1 53 ILE QG 1 54 GLU H 5.000 . 7.500 3.434 1.787 3.984 0.013 3 0 "[ . 1]" 1
650 1 53 ILE H 1 53 ILE MG 3.400 . 5.700 2.843 1.886 3.326 . 0 0 "[ . 1]" 1
651 1 53 ILE MG 1 54 GLU H 3.400 . 5.700 3.665 3.449 4.240 . 0 0 "[ . 1]" 1
652 1 53 ILE MG 1 55 MET H 5.000 . 8.000 6.382 5.650 6.932 . 0 0 "[ . 1]" 1
653 1 54 GLU HA 1 54 GLU QG 2.500 . 4.200 2.829 2.049 3.359 . 0 0 "[ . 1]" 1
654 1 54 GLU HA 1 55 MET H 2.500 . 3.200 2.202 2.130 2.322 . 0 0 "[ . 1]" 1
655 1 54 GLU QB 1 55 MET H 3.400 . 5.200 3.277 2.520 3.890 . 0 0 "[ . 1]" 1
656 1 54 GLU H 1 54 GLU QG 3.400 . 5.200 3.378 2.038 4.456 . 0 0 "[ . 1]" 1
657 1 54 GLU QG 1 55 MET H 3.400 . 5.200 3.615 2.665 4.715 . 0 0 "[ . 1]" 1
658 1 55 MET HA 1 55 MET ME 3.400 . 5.700 4.094 3.025 5.127 . 0 0 "[ . 1]" 1
659 1 55 MET HA 1 55 MET QG 3.400 . 5.200 2.566 2.008 3.345 . 0 0 "[ . 1]" 1
660 1 55 MET HA 1 56 LYS H 2.500 . 3.200 2.252 2.084 2.842 . 0 0 "[ . 1]" 1
661 1 55 MET QB 1 55 MET ME 3.400 . 6.700 2.961 1.948 3.701 . 0 0 "[ . 1]" 1
662 1 55 MET QB 1 56 LYS H 3.400 . 5.200 3.335 2.496 3.882 . 0 0 "[ . 1]" 1
663 1 55 MET ME 1 55 MET QG 3.400 . 6.700 2.226 1.975 2.537 . 0 0 "[ . 1]" 1
664 1 55 MET H 1 55 MET ME 3.400 . 5.700 4.489 3.500 5.664 . 0 0 "[ . 1]" 1
665 1 55 MET ME 1 56 LYS H 4.000 . 7.000 5.038 3.729 6.194 . 0 0 "[ . 1]" 1
666 1 55 MET H 1 55 MET QG 3.400 . 5.200 3.356 1.935 4.098 . 0 0 "[ . 1]" 1
667 1 55 MET QG 1 56 LYS H 5.000 . 7.500 3.420 2.007 4.659 . 0 0 "[ . 1]" 1
668 1 56 LYS HA 1 57 ASN H 3.400 . 4.200 3.160 2.231 3.497 . 0 0 "[ . 1]" 1
669 1 56 LYS QB 1 57 ASN H 4.000 . 6.500 2.192 1.758 3.962 0.042 3 0 "[ . 1]" 1
670 1 56 LYS H 1 56 LYS QD 3.400 . 5.200 4.413 4.204 4.756 . 0 0 "[ . 1]" 1
671 1 56 LYS H 1 56 LYS QG 3.400 . 5.200 3.928 2.668 4.491 . 0 0 "[ . 1]" 1
672 1 56 LYS QG 1 57 ASN H 4.000 . 6.500 2.782 1.947 4.475 . 0 0 "[ . 1]" 1
673 1 56 LYS H 1 58 HIS H 4.000 . 5.500 5.024 4.670 5.292 . 0 0 "[ . 1]" 1
674 1 57 ASN HA 1 58 HIS H 3.400 . 4.200 3.415 2.408 3.666 . 0 0 "[ . 1]" 1
675 1 57 ASN QB 1 58 HIS H 3.400 . 5.200 3.021 2.345 3.964 . 0 0 "[ . 1]" 1
676 1 58 HIS HA 1 59 ASP H 3.400 . 4.200 2.701 2.183 3.430 . 0 0 "[ . 1]" 1
677 1 58 HIS QB 1 59 ASP H 3.400 . 5.200 3.273 1.866 4.000 . 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 40
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 24.963
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_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 ALA 0.016 0.012 3 0 "[ . 1]"
1 4 ILE 0.617 0.092 1 0 "[ . 1]"
1 5 ALA 0.031 0.031 8 0 "[ . 1]"
1 6 LYS 0.799 0.163 5 0 "[ . 1]"
1 9 PHE 0.002 0.002 8 0 "[ . 1]"
1 17 LEU 0.012 0.012 7 0 "[ . 1]"
1 19 PHE 0.002 0.002 8 0 "[ . 1]"
1 20 ARG 0.008 0.008 9 0 "[ . 1]"
1 22 GLY 0.031 0.031 8 0 "[ . 1]"
1 23 GLN 0.008 0.008 9 0 "[ . 1]"
1 25 LEU 0.016 0.012 3 0 "[ . 1]"
1 26 LYS 0.258 0.057 9 0 "[ . 1]"
1 28 LEU 0.305 0.070 1 0 "[ . 1]"
1 35 ASN 0.076 0.056 6 0 "[ . 1]"
1 37 TYR 0.172 0.071 8 0 "[ . 1]"
1 38 ARG 0.305 0.070 1 0 "[ . 1]"
1 39 ALA 0.201 0.058 5 0 "[ . 1]"
1 40 GLU 0.258 0.057 9 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.201 0.058 5 0 "[ . 1]"
1 47 LEU 0.012 0.012 7 0 "[ . 1]"
1 48 ILE 0.172 0.071 8 0 "[ . 1]"
1 50 SER 0.076 0.056 6 0 "[ . 1]"
1 52 TYR 0.799 0.163 5 0 "[ . 1]"
1 54 GLU 0.617 0.092 1 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 ILE O 1 54 GLU H 1.800 . 2.300 2.288 1.821 2.392 0.092 1 0 "[ . 1]" 2
2 1 4 ILE O 1 54 GLU N 2.800 2.400 3.300 3.125 2.794 3.240 . 0 0 "[ . 1]" 2
3 1 4 ILE H 1 54 GLU O 1.800 . 2.300 2.207 1.907 2.382 0.082 2 0 "[ . 1]" 2
4 1 4 ILE N 1 54 GLU O 2.800 2.400 3.300 3.155 2.877 3.319 0.019 5 0 "[ . 1]" 2
5 1 3 ALA O 1 25 LEU H 1.800 . 2.300 2.215 2.038 2.312 0.012 3 0 "[ . 1]" 2
6 1 3 ALA O 1 25 LEU N 2.800 2.400 3.300 2.987 2.823 3.151 . 0 0 "[ . 1]" 2
7 1 3 ALA H 1 25 LEU O 1.800 . 2.300 2.201 1.978 2.305 0.005 1 0 "[ . 1]" 2
8 1 3 ALA N 1 25 LEU O 2.800 2.400 3.300 3.085 2.894 3.200 . 0 0 "[ . 1]" 2
9 1 5 ALA O 1 22 GLY H 1.800 . 2.300 2.078 1.776 2.331 0.031 8 0 "[ . 1]" 2
10 1 5 ALA O 1 22 GLY N 2.800 2.400 3.300 3.023 2.749 3.201 . 0 0 "[ . 1]" 2
11 1 6 LYS H 1 52 TYR O 1.800 . 2.300 2.372 2.291 2.463 0.163 5 0 "[ . 1]" 2
12 1 6 LYS N 1 52 TYR O 2.800 2.400 3.300 3.254 3.199 3.366 0.066 5 0 "[ . 1]" 2
13 1 9 PHE O 1 19 PHE H 1.800 . 2.300 1.978 1.829 2.199 . 0 0 "[ . 1]" 2
14 1 9 PHE O 1 19 PHE N 2.800 2.400 3.300 2.901 2.753 3.111 . 0 0 "[ . 1]" 2
15 1 9 PHE H 1 19 PHE O 1.800 . 2.300 1.837 1.590 2.302 0.002 8 0 "[ . 1]" 2
16 1 9 PHE N 1 19 PHE O 2.800 2.400 3.300 2.719 2.545 3.146 . 0 0 "[ . 1]" 2
17 1 20 ARG O 1 23 GLN H 1.800 . 2.300 2.204 2.140 2.308 0.008 9 0 "[ . 1]" 2
18 1 20 ARG O 1 23 GLN N 2.800 2.400 3.300 3.123 3.041 3.224 . 0 0 "[ . 1]" 2
19 1 26 LYS O 1 40 GLU H 1.800 . 2.300 1.893 1.611 2.228 . 0 0 "[ . 1]" 2
20 1 26 LYS O 1 40 GLU N 2.800 2.400 3.300 2.795 2.564 3.071 . 0 0 "[ . 1]" 2
21 1 26 LYS H 1 40 GLU O 1.800 . 2.300 2.265 1.963 2.357 0.057 9 0 "[ . 1]" 2
22 1 26 LYS N 1 40 GLU O 2.800 2.400 3.300 3.215 2.900 3.337 0.037 4 0 "[ . 1]" 2
23 1 35 ASN O 1 50 SER H 1.800 . 2.300 2.045 1.673 2.356 0.056 6 0 "[ . 1]" 2
24 1 35 ASN O 1 50 SER N 2.800 2.400 3.300 2.935 2.567 3.221 . 0 0 "[ . 1]" 2
25 1 37 TYR O 1 48 ILE H 1.800 . 2.300 1.898 1.741 2.073 . 0 0 "[ . 1]" 2
26 1 37 TYR O 1 48 ILE N 2.800 2.400 3.300 2.774 2.556 2.996 . 0 0 "[ . 1]" 2
27 1 37 TYR H 1 48 ILE O 1.800 . 2.300 2.109 1.767 2.371 0.071 8 0 "[ . 1]" 2
28 1 37 TYR N 1 48 ILE O 2.800 2.400 3.300 3.079 2.748 3.344 0.044 8 0 "[ . 1]" 2
29 1 28 LEU H 1 38 ARG O 1.800 . 2.300 2.289 2.087 2.370 0.070 1 0 "[ . 1]" 2
30 1 28 LEU N 1 38 ARG O 2.800 2.400 3.300 3.246 3.056 3.349 0.049 1 0 "[ . 1]" 2
31 1 39 ALA O 1 46 GLY H 1.800 . 2.300 2.152 1.922 2.331 0.031 1 0 "[ . 1]" 2
32 1 39 ALA O 1 46 GLY N 2.800 2.400 3.300 2.993 2.832 3.184 . 0 0 "[ . 1]" 2
33 1 39 ALA H 1 46 GLY O 1.800 . 2.300 2.217 1.991 2.358 0.058 5 0 "[ . 1]" 2
34 1 39 ALA N 1 46 GLY O 2.800 2.400 3.300 3.166 2.851 3.323 0.023 5 0 "[ . 1]" 2
35 1 41 LEU O 1 44 LYS H 1.800 . 2.300 1.876 1.761 1.981 . 0 0 "[ . 1]" 2
36 1 41 LEU O 1 44 LYS N 2.800 2.400 3.300 2.737 2.612 2.814 . 0 0 "[ . 1]" 2
37 1 41 LEU H 1 44 LYS O 1.800 . 2.300 1.707 1.597 1.831 . 0 0 "[ . 1]" 2
38 1 41 LEU N 1 44 LYS O 2.800 2.400 3.300 2.633 2.536 2.768 . 0 0 "[ . 1]" 2
39 1 17 LEU H 1 47 LEU O 1.800 . 2.300 1.924 1.613 2.312 0.012 7 0 "[ . 1]" 2
40 1 17 LEU N 1 47 LEU O 2.800 2.400 3.300 2.821 2.546 3.115 . 0 0 "[ . 1]" 2
stop_
save_
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