NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400372 |
1utr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1utr
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 529
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 5.006
_Distance_constraint_stats_list.Viol_max 0.357
_Distance_constraint_stats_list.Viol_rms 0.0424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.1001
_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 23 ILE 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 PHE 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.137 0.137 1 0 "[ ]"
1 29 GLN 0.066 0.062 1 0 "[ ]"
1 30 VAL 0.065 0.061 1 0 "[ ]"
1 31 LEU 0.197 0.137 1 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 ALA 0.062 0.062 1 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.023 0.023 1 0 "[ ]"
1 36 LEU 0.271 0.242 1 0 "[ ]"
1 37 GLY 0.029 0.029 1 0 "[ ]"
1 39 GLU 0.113 0.077 1 0 "[ ]"
1 40 SER 0.014 0.014 1 0 "[ ]"
1 41 ASN 0.061 0.061 1 0 "[ ]"
1 42 TYR 0.172 0.077 1 0 "[ ]"
1 43 GLU 0.050 0.035 1 0 "[ ]"
1 44 ALA 0.138 0.138 1 0 "[ ]"
1 45 ALA 0.175 0.175 1 0 "[ ]"
1 46 LEU 0.331 0.302 1 0 "[ ]"
1 47 LYS 0.102 0.072 1 0 "[ ]"
1 48 PRO 0.000 0.000 . 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 ASN 0.000 0.000 . 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 52 ALA 0.079 0.079 1 0 "[ ]"
1 53 SER 0.000 0.000 . 0 "[ ]"
1 54 ASP 0.087 0.087 1 0 "[ ]"
1 55 LEU 0.427 0.346 1 0 "[ ]"
1 56 GLN 0.118 0.081 1 0 "[ ]"
1 57 ASN 0.369 0.245 1 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 GLY 0.000 0.000 . 0 "[ ]"
1 60 THR 0.000 0.000 . 0 "[ ]"
1 61 GLN 0.307 0.260 1 0 "[ ]"
1 62 LEU 0.120 0.069 1 0 "[ ]"
1 63 LYS 0.006 0.006 1 0 "[ ]"
1 64 ARG 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.447 0.308 1 0 "[ ]"
1 66 VAL 0.028 0.015 1 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 68 THR 0.079 0.079 1 0 "[ ]"
1 69 LEU 0.005 0.005 1 0 "[ ]"
1 70 PRO 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 GLU 0.111 0.111 1 0 "[ ]"
1 73 THR 0.183 0.183 1 0 "[ ]"
1 74 ARG 0.031 0.031 1 0 "[ ]"
1 75 ILE 0.160 0.111 1 0 "[ ]"
1 76 ASN 0.309 0.281 1 0 "[ ]"
1 77 ILE 0.214 0.162 1 0 "[ ]"
1 78 VAL 0.079 0.073 1 0 "[ ]"
1 79 LYS 0.107 0.107 1 0 "[ ]"
1 80 LEU 0.749 0.357 1 0 "[ ]"
1 81 THR 0.506 0.357 1 0 "[ ]"
1 82 GLU 0.006 0.006 1 0 "[ ]"
1 83 LYS 0.000 0.000 . 0 "[ ]"
1 84 ILE 0.018 0.018 1 0 "[ ]"
1 85 LEU 0.234 0.234 1 0 "[ ]"
1 86 THR 0.000 0.000 . 0 "[ ]"
1 87 SER 0.000 0.000 . 0 "[ ]"
1 88 PRO 0.000 0.000 . 0 "[ ]"
2 54 ASP 0.000 0.000 . 0 "[ ]"
2 59 GLY 0.000 0.000 . 0 "[ ]"
2 62 LEU 0.000 0.000 . 0 "[ ]"
2 76 ASN 0.000 0.000 . 0 "[ ]"
2 77 ILE 0.000 0.000 . 0 "[ ]"
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 23 ILE H 1 23 ILE HB 3.200 . 3.200 2.768 2.768 2.768 . 0 0 "[ ]" 1
2 1 29 GLN H 1 29 GLN HB3 4.000 . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
3 1 29 GLN H 1 29 GLN HB2 3.200 . 3.200 2.599 2.599 2.599 . 0 0 "[ ]" 1
4 1 30 VAL H 1 30 VAL HB 3.200 . 3.200 2.585 2.585 2.585 . 0 0 "[ ]" 1
5 1 31 LEU H 1 31 LEU QB 2.800 . 3.800 2.140 2.140 2.140 . 0 0 "[ ]" 1
6 1 33 ALA H 1 33 ALA MB 3.200 . 3.500 2.121 2.121 2.121 . 0 0 "[ ]" 1
7 1 34 LEU H 1 34 LEU QB 2.700 . 3.700 2.165 2.165 2.165 . 0 0 "[ ]" 1
8 1 35 LEU H 1 35 LEU HB3 4.000 . 4.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
9 1 35 LEU H 1 35 LEU HB2 2.800 . 2.800 2.823 2.823 2.823 0.023 1 0 "[ ]" 1
10 1 35 LEU H 1 35 LEU HG 3.500 . 3.500 1.868 1.868 1.868 . 0 0 "[ ]" 1
11 1 36 LEU H 1 36 LEU HB3 3.200 . 3.200 3.442 3.442 3.442 0.242 1 0 "[ ]" 1
12 1 36 LEU H 1 36 LEU HB2 3.200 . 3.200 2.140 2.140 2.140 . 0 0 "[ ]" 1
13 1 36 LEU H 1 36 LEU HG 3.200 . 3.200 3.108 3.108 3.108 . 0 0 "[ ]" 1
14 1 36 LEU H 1 36 LEU MD1 5.000 . 5.300 3.948 3.948 3.948 . 0 0 "[ ]" 1
15 1 36 LEU H 1 36 LEU MD2 5.000 . 5.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
16 1 41 ASN H 1 41 ASN HB3 3.200 . 3.200 3.023 3.023 3.023 . 0 0 "[ ]" 1
17 1 41 ASN H 1 41 ASN HB2 4.000 . 4.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
18 1 42 TYR H 1 42 TYR HB2 2.700 . 2.700 2.735 2.735 2.735 0.035 1 0 "[ ]" 1
19 1 42 TYR H 1 42 TYR QD 5.000 . 7.200 4.156 4.156 4.156 . 0 0 "[ ]" 1
20 1 43 GLU H 1 43 GLU QB 3.200 . 4.200 2.178 2.178 2.178 . 0 0 "[ ]" 1
21 1 44 ALA H 1 44 ALA HA 2.700 . 2.700 2.838 2.838 2.838 0.138 1 0 "[ ]" 1
22 1 44 ALA H 1 44 ALA MB 3.200 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
23 1 45 ALA H 1 45 ALA HA 2.700 . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1
24 1 46 LEU H 1 46 LEU HB2 3.200 . 3.200 2.224 2.224 2.224 . 0 0 "[ ]" 1
25 1 46 LEU H 1 46 LEU HB3 3.200 . 3.200 3.502 3.502 3.502 0.302 1 0 "[ ]" 1
26 1 46 LEU H 1 46 LEU HG 3.500 . 3.500 2.728 2.728 2.728 . 0 0 "[ ]" 1
27 1 46 LEU H 1 46 LEU MD1 5.000 . 5.300 3.109 3.109 3.109 . 0 0 "[ ]" 1
28 1 46 LEU H 1 46 LEU MD2 5.000 . 5.300 4.050 4.050 4.050 . 0 0 "[ ]" 1
29 1 47 LYS H 1 47 LYS HA 2.700 . 2.700 2.772 2.772 2.772 0.072 1 0 "[ ]" 1
30 1 47 LYS H 1 47 LYS QB 2.700 . 3.700 2.072 2.072 2.072 . 0 0 "[ ]" 1
31 1 47 LYS H 1 47 LYS QG 4.000 . 5.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
32 1 49 PHE H 1 49 PHE HB2 3.200 . 3.200 2.438 2.438 2.438 . 0 0 "[ ]" 1
33 1 49 PHE H 1 49 PHE HB3 4.000 . 4.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
34 1 50 ASN H 1 50 ASN HA 2.400 . 2.400 2.360 2.360 2.360 . 0 0 "[ ]" 1
35 1 50 ASN H 1 50 ASN HB2 4.000 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
36 1 50 ASN H 1 50 ASN HB3 4.000 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
37 1 52 ALA H 1 52 ALA HA 2.700 . 2.700 2.779 2.779 2.779 0.079 1 0 "[ ]" 1
38 1 55 LEU H 1 55 LEU HB2 2.700 . 2.700 2.556 2.556 2.556 . 0 0 "[ ]" 1
39 1 55 LEU H 1 55 LEU HB3 3.200 . 3.200 3.546 3.546 3.546 0.346 1 0 "[ ]" 1
40 1 55 LEU H 1 55 LEU HG 2.700 . 2.700 1.988 1.988 1.988 . 0 0 "[ ]" 1
41 1 55 LEU H 1 55 LEU MD1 5.000 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 1
42 1 55 LEU H 1 55 LEU MD2 5.000 . 5.300 2.680 2.680 2.680 . 0 0 "[ ]" 1
43 1 56 GLN H 1 56 GLN HB2 2.700 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
44 1 56 GLN H 1 56 GLN HB3 2.700 . 2.700 2.435 2.435 2.435 . 0 0 "[ ]" 1
45 1 57 ASN H 1 57 ASN HB2 3.200 . 3.200 3.445 3.445 3.445 0.245 1 0 "[ ]" 1
46 1 57 ASN H 1 57 ASN HB3 3.200 . 3.200 2.137 2.137 2.137 . 0 0 "[ ]" 1
47 1 60 THR H 1 60 THR HB 3.200 . 3.200 2.350 2.350 2.350 . 0 0 "[ ]" 1
48 1 61 GLN H 1 61 GLN HA 2.800 . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 1
49 1 61 GLN H 1 61 GLN HB3 3.200 . 3.200 3.460 3.460 3.460 0.260 1 0 "[ ]" 1
50 1 61 GLN H 1 61 GLN HB2 2.700 . 2.700 2.144 2.144 2.144 . 0 0 "[ ]" 1
51 1 61 GLN H 1 61 GLN QG 3.200 . 4.200 3.012 3.012 3.012 . 0 0 "[ ]" 1
52 1 62 LEU H 1 62 LEU HB2 2.700 . 2.700 2.769 2.769 2.769 0.069 1 0 "[ ]" 1
53 1 62 LEU H 1 62 LEU HB3 2.700 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
54 1 62 LEU H 1 62 LEU MD1 5.000 . 5.300 3.767 3.767 3.767 . 0 0 "[ ]" 1
55 1 62 LEU H 1 62 LEU MD2 5.000 . 5.300 4.028 4.028 4.028 . 0 0 "[ ]" 1
56 1 63 LYS H 1 63 LYS QB 2.700 . 3.700 2.284 2.284 2.284 . 0 0 "[ ]" 1
57 1 64 ARG H 1 64 ARG QB 3.200 . 4.200 2.373 2.373 2.373 . 0 0 "[ ]" 1
58 1 64 ARG H 1 64 ARG QG 3.500 . 4.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
59 1 64 ARG H 1 64 ARG QD 5.000 . 6.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
60 1 65 LEU H 1 65 LEU HB2 2.700 . 2.700 2.731 2.731 2.731 0.031 1 0 "[ ]" 1
61 1 65 LEU H 1 65 LEU HB3 3.200 . 3.200 3.508 3.508 3.508 0.308 1 0 "[ ]" 1
62 1 65 LEU H 1 65 LEU HG 3.500 . 3.500 1.836 1.836 1.836 . 0 0 "[ ]" 1
63 1 65 LEU H 1 65 LEU MD1 5.000 . 5.300 3.539 3.539 3.539 . 0 0 "[ ]" 1
64 1 65 LEU H 1 65 LEU MD2 5.000 . 5.300 2.172 2.172 2.172 . 0 0 "[ ]" 1
65 1 66 VAL H 1 66 VAL HB 2.400 . 2.400 2.407 2.407 2.407 0.007 1 0 "[ ]" 1
66 1 67 ASP H 1 67 ASP QB 2.800 . 3.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
67 1 69 LEU H 1 69 LEU HB2 3.200 . 3.200 2.330 2.330 2.330 . 0 0 "[ ]" 1
68 1 69 LEU H 1 69 LEU HB3 4.000 . 4.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
69 1 69 LEU H 1 69 LEU HG 3.200 . 3.200 3.205 3.205 3.205 0.005 1 0 "[ ]" 1
70 1 69 LEU H 1 69 LEU MD1 5.000 . 5.300 3.752 3.752 3.752 . 0 0 "[ ]" 1
71 1 69 LEU H 1 69 LEU MD2 5.000 . 5.300 4.216 4.216 4.216 . 0 0 "[ ]" 1
72 1 72 GLU H 1 72 GLU QB 3.200 . 4.200 2.133 2.133 2.133 . 0 0 "[ ]" 1
73 1 73 THR H 1 73 THR HB 3.200 . 3.200 2.855 2.855 2.855 . 0 0 "[ ]" 1
74 1 74 ARG H 1 74 ARG QB 2.700 . 3.700 2.101 2.101 2.101 . 0 0 "[ ]" 1
75 1 75 ILE H 1 75 ILE HB 2.700 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
76 1 75 ILE H 1 75 ILE MD 5.000 . 5.300 2.676 2.676 2.676 . 0 0 "[ ]" 1
77 1 76 ASN H 1 76 ASN HB3 3.200 . 3.200 3.481 3.481 3.481 0.281 1 0 "[ ]" 1
78 1 76 ASN H 1 76 ASN HB2 2.700 . 2.700 2.186 2.186 2.186 . 0 0 "[ ]" 1
79 1 77 ILE H 1 77 ILE HB 2.700 . 2.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
80 1 77 ILE H 1 77 ILE MD 5.000 . 5.300 2.987 2.987 2.987 . 0 0 "[ ]" 1
81 1 78 VAL H 1 78 VAL HB 2.700 . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
82 1 79 LYS H 1 79 LYS HB2 3.200 . 3.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
83 1 79 LYS H 1 79 LYS HB3 4.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
84 1 79 LYS H 1 79 LYS QG 4.000 . 5.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
85 1 79 LYS H 1 79 LYS QD 5.000 . 6.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
86 1 80 LEU H 1 80 LEU HB2 2.800 . 2.800 2.924 2.924 2.924 0.124 1 0 "[ ]" 1
87 1 80 LEU H 1 80 LEU HB3 2.800 . 2.800 2.292 2.292 2.292 . 0 0 "[ ]" 1
88 1 80 LEU H 1 80 LEU HG 5.000 . 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
89 1 80 LEU H 1 80 LEU MD1 5.000 . 5.300 3.655 3.655 3.655 . 0 0 "[ ]" 1
90 1 80 LEU H 1 80 LEU MD2 5.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 1
91 1 81 THR H 1 81 THR HB 3.200 . 3.200 2.611 2.611 2.611 . 0 0 "[ ]" 1
92 1 82 GLU H 1 82 GLU QB 3.200 . 4.200 2.284 2.284 2.284 . 0 0 "[ ]" 1
93 1 83 LYS H 1 83 LYS QB 2.800 . 3.800 2.077 2.077 2.077 . 0 0 "[ ]" 1
94 1 84 ILE H 1 84 ILE HB 2.700 . 2.700 2.548 2.548 2.548 . 0 0 "[ ]" 1
95 1 84 ILE H 1 84 ILE MD 5.000 . 5.300 4.293 4.293 4.293 . 0 0 "[ ]" 1
96 1 85 LEU H 1 85 LEU HB2 3.200 . 3.200 2.130 2.130 2.130 . 0 0 "[ ]" 1
97 1 85 LEU H 1 85 LEU HB3 3.200 . 3.200 3.434 3.434 3.434 0.234 1 0 "[ ]" 1
98 1 85 LEU H 1 85 LEU HG 3.500 . 3.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
99 1 85 LEU H 1 85 LEU MD1 5.000 . 5.300 3.190 3.190 3.190 . 0 0 "[ ]" 1
100 1 85 LEU H 1 85 LEU MD2 5.000 . 5.300 4.336 4.336 4.336 . 0 0 "[ ]" 1
101 1 87 SER H 1 87 SER HB2 4.000 . 4.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
102 1 42 TYR HA 1 42 TYR QD 3.500 . 5.700 2.906 2.906 2.906 . 0 0 "[ ]" 1
103 1 35 LEU HA 1 35 LEU HG 3.500 . 3.500 3.086 3.086 3.086 . 0 0 "[ ]" 1
104 1 42 TYR HB3 1 42 TYR QD 2.800 . 5.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
105 1 49 PHE HA 1 49 PHE QD 3.500 . 5.700 2.077 2.077 2.077 . 0 0 "[ ]" 1
106 1 49 PHE HA 1 49 PHE QE 5.000 . 7.200 4.266 4.266 4.266 . 0 0 "[ ]" 1
107 1 73 THR HA 1 73 THR HB 2.800 . 2.800 2.983 2.983 2.983 0.183 1 0 "[ ]" 1
108 1 28 LEU HA 1 29 GLN H 5.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
109 1 28 LEU QB 1 29 GLN H 5.000 . 6.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
110 1 29 GLN H 1 30 VAL H 5.000 . 5.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
111 1 29 GLN HA 1 30 VAL H 5.000 . 5.000 3.441 3.441 3.441 . 0 0 "[ ]" 1
112 1 29 GLN HB3 1 30 VAL H 4.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
113 1 29 GLN HB2 1 30 VAL H 4.000 . 4.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
114 1 30 VAL H 1 31 LEU H 3.200 . 3.200 2.191 2.191 2.191 . 0 0 "[ ]" 1
115 1 30 VAL HA 1 31 LEU H 5.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
116 1 30 VAL HB 1 31 LEU H 2.800 . 2.800 2.861 2.861 2.861 0.061 1 0 "[ ]" 1
117 1 31 LEU H 1 32 GLU H 3.200 . 3.200 2.686 2.686 2.686 . 0 0 "[ ]" 1
118 1 31 LEU HA 1 32 GLU H 5.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
119 1 31 LEU QB 1 32 GLU H 4.000 . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
120 1 31 LEU QD 1 32 GLU H 5.000 . 7.400 4.085 4.085 4.085 . 0 0 "[ ]" 1
121 1 32 GLU H 1 33 ALA H 3.200 . 3.200 2.524 2.524 2.524 . 0 0 "[ ]" 1
122 1 32 GLU HA 1 33 ALA H 4.000 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
123 1 32 GLU QB 1 33 ALA H 3.200 . 4.200 2.493 2.493 2.493 . 0 0 "[ ]" 1
124 1 33 ALA H 1 34 LEU H 3.200 . 3.200 2.674 2.674 2.674 . 0 0 "[ ]" 1
125 1 33 ALA HA 1 34 LEU H 5.000 . 5.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
126 1 33 ALA MB 1 34 LEU H 3.200 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
127 1 34 LEU H 1 35 LEU H 3.200 . 3.200 2.578 2.578 2.578 . 0 0 "[ ]" 1
128 1 34 LEU HA 1 35 LEU H 5.000 . 5.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
129 1 34 LEU QB 1 35 LEU H 3.200 . 3.200 2.454 2.454 2.454 . 0 0 "[ ]" 1
130 1 34 LEU QD 1 35 LEU H 5.000 . 7.400 3.350 3.350 3.350 . 0 0 "[ ]" 1
131 1 35 LEU H 1 36 LEU H 3.200 . 3.200 2.349 2.349 2.349 . 0 0 "[ ]" 1
132 1 35 LEU HA 1 36 LEU H 5.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
133 1 35 LEU HB2 1 36 LEU H 5.000 . 5.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
134 1 35 LEU HG 1 36 LEU H 5.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
135 1 36 LEU H 1 37 GLY H 2.700 . 2.700 2.729 2.729 2.729 0.029 1 0 "[ ]" 1
136 1 36 LEU HA 1 37 GLY H 4.000 . 4.000 3.104 3.104 3.104 . 0 0 "[ ]" 1
137 1 36 LEU HB3 1 37 GLY H 5.000 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
138 1 36 LEU HB2 1 37 GLY H 4.000 . 4.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
139 1 36 LEU MD1 1 37 GLY H 5.000 . 7.400 5.516 5.516 5.516 . 0 0 "[ ]" 1
140 1 40 SER HA 1 41 ASN H 5.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
141 1 40 SER QB 1 41 ASN H 4.000 . 5.000 2.470 2.470 2.470 . 0 0 "[ ]" 1
142 1 41 ASN H 1 42 TYR H 3.200 . 3.200 2.364 2.364 2.364 . 0 0 "[ ]" 1
143 1 41 ASN HA 1 42 TYR H 5.000 . 5.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
144 1 41 ASN HB3 1 42 TYR H 5.000 . 5.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
145 1 41 ASN HB2 1 42 TYR H 3.500 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
146 1 42 TYR HA 1 43 GLU H 5.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
147 1 42 TYR HB3 1 43 GLU H 3.200 . 3.200 2.328 2.328 2.328 . 0 0 "[ ]" 1
148 1 42 TYR HB2 1 43 GLU H 4.000 . 4.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
149 1 43 GLU H 1 44 ALA H 3.200 . 3.200 2.685 2.685 2.685 . 0 0 "[ ]" 1
150 1 43 GLU HA 1 44 ALA H 4.000 . 4.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
151 1 43 GLU QB 1 44 ALA H 2.700 . 3.700 2.555 2.555 2.555 . 0 0 "[ ]" 1
152 1 43 GLU QG 1 44 ALA H 5.000 . 6.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
153 1 44 ALA H 1 45 ALA H 3.200 . 3.200 2.585 2.585 2.585 . 0 0 "[ ]" 1
154 1 44 ALA HA 1 45 ALA H 5.000 . 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
155 1 44 ALA MB 1 45 ALA H 5.000 . 5.300 2.759 2.759 2.759 . 0 0 "[ ]" 1
156 1 43 GLU H 1 44 ALA MB 5.000 . 5.300 4.338 4.338 4.338 . 0 0 "[ ]" 1
157 1 45 ALA H 1 46 LEU H 3.200 . 3.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
158 1 45 ALA HA 1 46 LEU H 4.000 . 4.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
159 1 45 ALA MB 1 46 LEU H 4.000 . 5.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
160 1 46 LEU HA 1 47 LYS H 4.000 . 4.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
161 1 46 LEU HB2 1 47 LYS H 3.200 . 3.200 3.229 3.229 3.229 0.029 1 0 "[ ]" 1
162 1 46 LEU HB3 1 47 LYS H 4.000 . 4.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
163 1 46 LEU HG 1 47 LYS H 5.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
164 1 46 LEU H 1 47 LYS QB 5.000 . 6.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
165 1 49 PHE H 1 50 ASN HA 5.000 . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
166 1 49 PHE H 1 50 ASN H 3.200 . 3.200 2.285 2.285 2.285 . 0 0 "[ ]" 1
167 1 49 PHE HA 1 50 ASN H 5.000 . 5.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
168 1 49 PHE HB2 1 50 ASN H 5.000 . 5.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
169 1 49 PHE HB3 1 50 ASN H 5.000 . 5.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
170 1 54 ASP HA 1 55 LEU H 5.000 . 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
171 1 54 ASP QB 1 55 LEU H 4.000 . 5.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
172 1 55 LEU H 1 56 GLN H 3.200 . 3.200 3.081 3.081 3.081 . 0 0 "[ ]" 1
173 1 55 LEU HA 1 56 GLN H 5.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
174 1 55 LEU HB2 1 56 GLN H 3.500 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
175 1 55 LEU HB3 1 56 GLN H 3.200 . 3.200 3.281 3.281 3.281 0.081 1 0 "[ ]" 1
176 1 55 LEU HG 1 56 GLN H 5.000 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
177 1 55 LEU MD1 1 56 GLN H 5.000 . 5.300 4.375 4.375 4.375 . 0 0 "[ ]" 1
178 1 55 LEU MD2 1 56 GLN H 5.000 . 5.300 4.390 4.390 4.390 . 0 0 "[ ]" 1
179 1 56 GLN H 1 57 ASN H 2.700 . 2.700 2.737 2.737 2.737 0.037 1 0 "[ ]" 1
180 1 56 GLN HA 1 57 ASN H 4.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
181 1 56 GLN HB2 1 57 ASN H 4.000 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
182 1 56 GLN HB3 1 57 ASN H 3.200 . 3.200 2.605 2.605 2.605 . 0 0 "[ ]" 1
183 1 56 GLN QG 1 57 ASN H 5.000 . 6.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
184 1 57 ASN H 1 58 ALA H 3.200 . 3.200 2.882 2.882 2.882 . 0 0 "[ ]" 1
185 1 57 ASN HA 1 58 ALA H 5.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
186 1 57 ASN HB2 1 58 ALA H 4.000 . 4.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
187 1 57 ASN HB3 1 58 ALA H 4.000 . 4.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
188 1 58 ALA H 1 59 GLY H 4.000 . 4.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
189 1 58 ALA HA 1 59 GLY H 4.000 . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
190 1 58 ALA MB 1 59 GLY H 4.000 . 4.300 2.687 2.687 2.687 . 0 0 "[ ]" 1
191 1 57 ASN H 1 58 ALA MB 5.000 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
192 1 59 GLY H 1 60 THR H 3.200 . 3.200 2.549 2.549 2.549 . 0 0 "[ ]" 1
193 1 59 GLY QA 1 60 THR H 4.000 . 5.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
194 1 60 THR H 1 61 GLN H 3.200 . 3.200 2.797 2.797 2.797 . 0 0 "[ ]" 1
195 1 60 THR HA 1 61 GLN H 5.000 . 5.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
196 1 60 THR HB 1 61 GLN H 3.200 . 3.200 2.425 2.425 2.425 . 0 0 "[ ]" 1
197 1 61 GLN H 1 62 LEU H 3.200 . 3.200 2.654 2.654 2.654 . 0 0 "[ ]" 1
198 1 61 GLN HB3 1 62 LEU H 3.200 . 3.200 3.236 3.236 3.236 0.036 1 0 "[ ]" 1
199 1 61 GLN QG 1 62 LEU H 5.000 . 6.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
200 1 62 LEU H 1 63 LYS H 3.200 . 3.200 2.876 2.876 2.876 . 0 0 "[ ]" 1
201 1 62 LEU HA 1 63 LYS H 5.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
202 1 62 LEU HB2 1 63 LYS H 5.000 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
203 1 62 LEU HB3 1 63 LYS H 3.200 . 3.200 2.796 2.796 2.796 . 0 0 "[ ]" 1
204 1 62 LEU HG 1 63 LYS H 5.000 . 5.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
205 1 62 LEU MD1 1 63 LYS H 5.000 . 5.300 2.439 2.439 2.439 . 0 0 "[ ]" 1
206 1 62 LEU MD2 1 63 LYS H 5.000 . 5.300 3.755 3.755 3.755 . 0 0 "[ ]" 1
207 1 63 LYS H 1 64 ARG H 3.200 . 3.200 2.580 2.580 2.580 . 0 0 "[ ]" 1
208 1 63 LYS HA 1 64 ARG H 5.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
209 1 63 LYS QB 1 64 ARG H 3.200 . 4.200 2.519 2.519 2.519 . 0 0 "[ ]" 1
210 1 63 LYS QG 1 64 ARG H 5.000 . 6.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
211 1 64 ARG H 1 65 LEU H 3.200 . 3.200 2.927 2.927 2.927 . 0 0 "[ ]" 1
212 1 64 ARG HA 1 65 LEU H 4.000 . 4.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
213 1 64 ARG QB 1 65 LEU H 5.000 . 6.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
214 1 64 ARG QG 1 65 LEU H 5.000 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
215 1 65 LEU H 1 66 VAL H 3.200 . 3.200 2.788 2.788 2.788 . 0 0 "[ ]" 1
216 1 65 LEU HA 1 66 VAL H 5.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
217 1 65 LEU HB2 1 66 VAL H 3.200 . 3.200 2.852 2.852 2.852 . 0 0 "[ ]" 1
218 1 65 LEU HB3 1 66 VAL H 4.000 . 4.000 4.015 4.015 4.015 0.015 1 0 "[ ]" 1
219 1 65 LEU HG 1 66 VAL H 5.000 . 5.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
220 1 66 VAL H 1 67 ASP H 3.200 . 3.200 2.467 2.467 2.467 . 0 0 "[ ]" 1
221 1 66 VAL HA 1 67 ASP H 5.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
222 1 66 VAL HB 1 67 ASP H 4.000 . 4.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
223 1 67 ASP H 1 68 THR H 4.000 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
224 1 67 ASP HA 1 68 THR H 5.000 . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
225 1 67 ASP QB 1 68 THR H 5.000 . 6.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
226 1 68 THR H 1 69 LEU H 3.200 . 3.200 1.925 1.925 1.925 . 0 0 "[ ]" 1
227 1 68 THR HA 1 69 LEU H 5.000 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
228 1 71 GLN HA 1 72 GLU H 5.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
229 1 72 GLU H 1 73 THR H 5.000 . 5.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
230 1 72 GLU HA 1 73 THR H 5.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
231 1 72 GLU QB 1 73 THR H 5.000 . 6.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
232 1 72 GLU QG 1 73 THR H 5.000 . 6.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
233 1 73 THR H 1 74 ARG H 3.200 . 3.200 2.557 2.557 2.557 . 0 0 "[ ]" 1
234 1 73 THR HA 1 74 ARG H 5.000 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
235 1 73 THR HB 1 74 ARG H 3.200 . 3.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
236 1 74 ARG H 1 75 ILE H 3.200 . 3.200 2.760 2.760 2.760 . 0 0 "[ ]" 1
237 1 74 ARG HA 1 75 ILE H 5.000 . 5.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
238 1 74 ARG QB 1 75 ILE H 4.000 . 5.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
239 1 75 ILE H 1 76 ASN H 3.200 . 3.200 2.652 2.652 2.652 . 0 0 "[ ]" 1
240 1 75 ILE HA 1 76 ASN H 5.000 . 5.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
241 1 75 ILE HB 1 76 ASN H 3.200 . 3.200 3.228 3.228 3.228 0.028 1 0 "[ ]" 1
242 1 76 ASN H 1 77 ILE H 3.200 . 3.200 2.814 2.814 2.814 . 0 0 "[ ]" 1
243 1 76 ASN HA 1 77 ILE H 5.000 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
244 1 76 ASN HB3 1 77 ILE H 5.000 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
245 1 76 ASN HB2 1 77 ILE H 4.000 . 4.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
246 1 77 ILE H 1 78 VAL H 3.200 . 3.200 2.781 2.781 2.781 . 0 0 "[ ]" 1
247 1 77 ILE HA 1 78 VAL H 5.000 . 5.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
248 1 77 ILE HB 1 78 VAL H 3.200 . 3.200 3.096 3.096 3.096 . 0 0 "[ ]" 1
249 1 78 VAL H 1 79 LYS H 3.200 . 3.200 2.287 2.287 2.287 . 0 0 "[ ]" 1
250 1 78 VAL HA 1 79 LYS H 5.000 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
251 1 78 VAL HB 1 79 LYS H 2.700 . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
252 1 79 LYS H 1 80 LEU H 3.200 . 3.200 2.408 2.408 2.408 . 0 0 "[ ]" 1
253 1 79 LYS HA 1 80 LEU H 5.000 . 5.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
254 1 79 LYS HB2 1 80 LEU H 3.500 . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 1
255 1 79 LYS HB3 1 80 LEU H 5.000 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
256 1 80 LEU H 1 81 THR H 3.200 . 3.200 2.090 2.090 2.090 . 0 0 "[ ]" 1
257 1 80 LEU HA 1 81 THR H 5.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
258 1 80 LEU HB2 1 81 THR H 5.000 . 5.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
259 1 80 LEU HB3 1 81 THR H 3.200 . 3.200 2.369 2.369 2.369 . 0 0 "[ ]" 1
260 1 80 LEU HG 1 81 THR H 5.000 . 5.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
261 1 80 LEU MD1 1 81 THR H 5.000 . 5.300 2.633 2.633 2.633 . 0 0 "[ ]" 1
262 1 80 LEU MD2 1 81 THR H 5.000 . 5.300 3.541 3.541 3.541 . 0 0 "[ ]" 1
263 1 81 THR H 1 82 GLU H 3.200 . 3.200 2.677 2.677 2.677 . 0 0 "[ ]" 1
264 1 81 THR HA 1 82 GLU H 5.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
265 1 81 THR HB 1 82 GLU H 3.200 . 3.200 3.103 3.103 3.103 . 0 0 "[ ]" 1
266 1 82 GLU H 1 83 LYS H 3.200 . 3.200 2.426 2.426 2.426 . 0 0 "[ ]" 1
267 1 82 GLU HA 1 83 LYS H 5.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
268 1 82 GLU QB 1 83 LYS H 5.000 . 6.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
269 1 82 GLU QG 1 83 LYS H 5.000 . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
270 1 83 LYS H 1 84 ILE H 3.200 . 3.200 2.565 2.565 2.565 . 0 0 "[ ]" 1
271 1 83 LYS HA 1 84 ILE H 5.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
272 1 83 LYS QB 1 84 ILE H 4.000 . 5.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
273 1 82 GLU H 1 83 LYS QB 5.000 . 6.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
274 1 84 ILE H 1 85 LEU H 5.000 . 5.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
275 1 84 ILE HA 1 85 LEU H 5.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
276 1 84 ILE HB 1 85 LEU H 5.000 . 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
277 1 85 LEU H 1 86 THR H 5.000 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
278 1 85 LEU HB2 1 86 THR H 5.000 . 5.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
279 1 85 LEU HB3 1 86 THR H 5.000 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
280 1 47 LYS H 1 48 PRO QD 3.200 . 4.200 2.184 2.184 2.184 . 0 0 "[ ]" 1
281 1 48 PRO QD 1 49 PHE H 4.000 . 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
282 1 48 PRO HA 1 49 PHE H 5.000 . 5.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
283 1 48 PRO QG 1 49 PHE H 5.000 . 6.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
284 1 48 PRO QB 1 49 PHE H 5.000 . 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 1
285 1 48 PRO QB 1 50 ASN H 5.000 . 6.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
286 1 48 PRO QG 1 50 ASN H 5.000 . 6.000 5.251 5.251 5.251 . 0 0 "[ ]" 1
287 1 50 ASN H 1 51 PRO QD 3.200 . 4.200 2.337 2.337 2.337 . 0 0 "[ ]" 1
288 1 51 PRO HA 1 52 ALA H 3.500 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
289 1 51 PRO QB 1 52 ALA H 4.000 . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
290 1 69 LEU H 1 70 PRO QD 5.000 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
291 1 26 GLY QA 1 27 PHE QB 5.000 . 7.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
292 1 34 LEU QD 1 35 LEU MD2 3.500 . 3.800 2.009 2.009 2.009 . 0 0 "[ ]" 1
293 1 34 LEU QD 1 35 LEU HG 5.000 . 7.400 2.604 2.604 2.604 . 0 0 "[ ]" 1
294 1 34 LEU QD 1 35 LEU HA 5.000 . 7.400 3.603 3.603 3.603 . 0 0 "[ ]" 1
295 1 39 GLU QB 1 40 SER QB 5.000 . 7.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
296 1 43 GLU QB 1 44 ALA HA 5.000 . 6.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
297 1 45 ALA MB 1 46 LEU HA 5.000 . 5.300 3.912 3.912 3.912 . 0 0 "[ ]" 1
298 1 47 LYS HA 1 48 PRO QD 3.500 . 4.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
299 1 47 LYS QB 1 48 PRO QD 2.800 . 4.800 1.771 1.771 1.771 . 0 0 "[ ]" 1
300 1 47 LYS QG 1 48 PRO QD 5.000 . 7.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
301 1 50 ASN HA 1 51 PRO QD 2.800 . 3.800 2.172 2.172 2.172 . 0 0 "[ ]" 1
302 1 51 PRO HA 1 52 ALA MB 5.000 . 5.300 4.131 4.131 4.131 . 0 0 "[ ]" 1
303 1 57 ASN HB2 1 58 ALA MB 5.000 . 6.000 5.111 5.111 5.111 . 0 0 "[ ]" 1
304 1 62 LEU MD2 1 63 LYS HA 5.000 . 5.300 3.282 3.282 3.282 . 0 0 "[ ]" 1
305 1 69 LEU HB2 1 70 PRO QD 5.000 . 6.000 3.381 3.381 3.381 . 0 0 "[ ]" 1
306 1 69 LEU HB3 1 70 PRO QD 3.500 . 4.500 1.843 1.843 1.843 . 0 0 "[ ]" 1
307 1 69 LEU MD2 1 70 PRO QD 5.000 . 6.300 1.793 1.793 1.793 . 0 0 "[ ]" 1
308 1 72 GLU QB 1 73 THR HA 5.000 . 6.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
309 1 80 LEU HG 1 81 THR HA 5.000 . 5.000 5.357 5.357 5.357 0.357 1 0 "[ ]" 1
310 1 80 LEU MD1 1 81 THR HA 5.000 . 5.300 2.917 2.917 2.917 . 0 0 "[ ]" 1
311 1 87 SER HA 1 88 PRO QD 3.500 . 4.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
312 1 27 PHE QB 1 31 LEU H 5.000 . 6.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
313 1 28 LEU HA 1 31 LEU H 5.000 . 6.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
314 1 28 LEU HG 1 31 LEU H 3.500 . 3.500 3.637 3.637 3.637 0.137 1 0 "[ ]" 1
315 1 28 LEU HA 1 32 GLU H 5.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
316 1 29 GLN H 1 31 LEU H 5.000 . 5.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
317 1 29 GLN HA 1 33 ALA H 4.000 . 4.000 4.062 4.062 4.062 0.062 1 0 "[ ]" 1
318 1 30 VAL HA 1 33 ALA H 4.000 . 4.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
319 1 30 VAL HA 1 34 LEU H 5.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
320 1 31 LEU HA 1 34 LEU H 4.000 . 4.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
321 1 31 LEU HA 1 35 LEU H 5.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
322 1 32 GLU HA 1 35 LEU H 5.000 . 5.000 3.301 3.301 3.301 . 0 0 "[ ]" 1
323 1 32 GLU H 1 34 LEU H 5.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
324 1 32 GLU HA 1 36 LEU H 5.000 . 5.000 2.222 2.222 2.222 . 0 0 "[ ]" 1
325 1 33 ALA HA 1 36 LEU H 5.000 . 5.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
326 1 33 ALA HA 1 37 GLY H 4.000 . 4.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
327 1 39 GLU HA 1 42 TYR H 3.200 . 3.200 3.277 3.277 3.277 0.077 1 0 "[ ]" 1
328 1 39 GLU HA 1 43 GLU H 4.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
329 1 40 SER QB 1 42 TYR H 5.000 . 6.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
330 1 40 SER HA 1 43 GLU H 4.000 . 4.000 4.014 4.014 4.014 0.014 1 0 "[ ]" 1
331 1 40 SER HA 1 44 ALA H 5.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
332 1 41 ASN HA 1 44 ALA H 4.000 . 4.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
333 1 42 TYR HA 1 45 ALA H 5.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
334 1 43 GLU H 1 45 ALA H 5.000 . 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
335 1 43 GLU HA 1 46 LEU H 5.000 . 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
336 1 43 GLU HA 1 47 LYS H 5.000 . 5.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
337 1 44 ALA H 1 46 LEU H 5.000 . 5.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
338 1 44 ALA HA 1 47 LYS H 5.000 . 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
339 1 47 LYS HA 1 50 ASN H 4.000 . 4.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
340 1 48 PRO HA 1 50 ASN H 5.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
341 1 52 ALA MB 1 55 LEU H 5.000 . 5.300 2.766 2.766 2.766 . 0 0 "[ ]" 1
342 1 53 SER HA 1 56 GLN H 4.000 . 4.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
343 1 54 ASP HA 1 56 GLN H 5.000 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
344 1 54 ASP HA 1 57 ASN H 5.000 . 5.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
345 1 54 ASP HA 1 58 ALA H 5.000 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
346 1 55 LEU H 1 57 ASN H 5.000 . 5.000 4.202 4.202 4.202 . 0 0 "[ ]" 1
347 1 55 LEU HA 1 58 ALA H 4.000 . 4.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
348 1 56 GLN HA 1 58 ALA H 5.000 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
349 1 56 GLN H 1 58 ALA H 5.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
350 1 57 ASN HA 1 60 THR H 4.000 . 4.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
351 1 57 ASN HA 1 61 GLN H 5.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
352 1 58 ALA HA 1 60 THR H 5.000 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
353 1 58 ALA HA 1 61 GLN H 4.000 . 4.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
354 1 58 ALA HA 1 62 LEU H 5.000 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
355 1 59 GLY QA 1 62 LEU H 5.000 . 6.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
356 1 59 GLY QA 1 63 LYS H 5.000 . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
357 1 60 THR H 1 62 LEU H 5.000 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
358 1 60 THR HA 1 63 LYS H 4.000 . 4.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
359 1 60 THR HA 1 64 ARG H 5.000 . 5.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
360 1 61 GLN H 1 63 LYS H 5.000 . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
361 1 61 GLN HA 1 63 LYS H 5.000 . 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
362 1 61 GLN HA 1 64 ARG H 4.000 . 4.000 2.926 2.926 2.926 . 0 0 "[ ]" 1
363 1 62 LEU HA 1 65 LEU H 4.000 . 4.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
364 1 62 LEU HA 1 66 VAL H 5.000 . 5.000 4.911 4.911 4.911 . 0 0 "[ ]" 1
365 1 63 LYS H 1 65 LEU H 5.000 . 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 1
366 1 63 LYS HA 1 66 VAL H 5.000 . 5.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
367 1 63 LYS QG 1 66 VAL H 5.000 . 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
368 1 64 ARG HA 1 67 ASP H 5.000 . 5.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
369 1 64 ARG H 1 66 VAL H 5.000 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
370 1 65 LEU H 1 67 ASP H 5.000 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
371 1 65 LEU HA 1 68 THR H 5.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
372 1 66 VAL H 1 68 THR H 5.000 . 5.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
373 1 66 VAL HA 1 68 THR H 5.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
374 1 66 VAL HA 1 69 LEU H 5.000 . 5.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
375 1 66 VAL HB 1 68 THR H 5.000 . 5.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
376 1 67 ASP HA 1 69 LEU H 5.000 . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
377 1 70 PRO QB 1 73 THR H 5.000 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
378 1 70 PRO QG 1 73 THR H 5.000 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
379 1 71 GLN HA 1 74 ARG H 4.000 . 4.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
380 1 71 GLN HA 1 75 ILE H 5.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
381 1 72 GLU HA 1 75 ILE H 5.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
382 1 73 THR H 1 75 ILE H 5.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
383 1 73 THR HA 1 76 ASN H 4.000 . 4.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
384 1 73 THR HA 1 77 ILE H 5.000 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
385 1 74 ARG HA 1 77 ILE H 5.000 . 5.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
386 1 75 ILE H 1 77 ILE H 5.000 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
387 1 75 ILE HA 1 78 VAL H 5.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
388 1 75 ILE HA 1 79 LYS H 5.000 . 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
389 1 76 ASN H 1 78 VAL H 5.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
390 1 76 ASN HA 1 79 LYS H 5.000 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
391 1 76 ASN HA 1 80 LEU H 5.000 . 5.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
392 1 77 ILE H 1 79 LYS H 5.000 . 5.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
393 1 77 ILE HA 1 80 LEU H 4.000 . 4.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
394 1 77 ILE MD 1 80 LEU H 5.000 . 5.300 4.442 4.442 4.442 . 0 0 "[ ]" 1
395 1 77 ILE HA 1 81 THR H 5.000 . 5.000 3.305 3.305 3.305 . 0 0 "[ ]" 1
396 1 78 VAL HA 1 81 THR H 4.000 . 4.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
397 1 78 VAL HA 1 82 GLU H 5.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
398 1 79 LYS HA 1 82 GLU H 5.000 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
399 1 77 ILE H 1 80 LEU MD1 5.000 . 5.300 4.475 4.475 4.475 . 0 0 "[ ]" 1
400 1 81 THR H 1 83 LYS H 5.000 . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
401 1 81 THR HA 1 84 ILE H 5.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
402 1 82 GLU HA 1 85 LEU H 5.000 . 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
403 1 27 PHE HA 1 30 VAL HB 5.000 . 5.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
404 1 28 LEU HA 1 31 LEU QB 2.800 . 3.800 1.855 1.855 1.855 . 0 0 "[ ]" 1
405 1 30 VAL HA 1 33 ALA MB 5.000 . 5.300 2.283 2.283 2.283 . 0 0 "[ ]" 1
406 1 31 LEU HA 1 34 LEU QB 3.500 . 4.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
407 1 31 LEU HA 1 34 LEU QD 5.000 . 7.400 2.924 2.924 2.924 . 0 0 "[ ]" 1
408 1 31 LEU HA 1 35 LEU HG 5.000 . 5.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
409 1 32 GLU HA 1 36 LEU MD1 5.000 . 5.300 3.343 3.343 3.343 . 0 0 "[ ]" 1
410 1 37 GLY QA 1 41 ASN HB3 5.000 . 6.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
411 1 37 GLY QA 1 41 ASN HB2 5.000 . 6.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
412 1 39 GLU HA 1 42 TYR HB3 3.500 . 3.500 3.127 3.127 3.127 . 0 0 "[ ]" 1
413 1 39 GLU HA 1 42 TYR HB2 5.000 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
414 1 40 SER HA 1 43 GLU QB 3.500 . 4.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
415 1 40 SER HA 1 43 GLU QG 5.000 . 6.000 5.228 5.228 5.228 . 0 0 "[ ]" 1
416 1 41 ASN HA 1 44 ALA MB 5.000 . 5.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
417 1 42 TYR HA 1 45 ALA MB 2.800 . 3.100 2.266 2.266 2.266 . 0 0 "[ ]" 1
418 1 43 GLU HA 1 46 LEU HB2 3.500 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
419 1 43 GLU HA 1 46 LEU HB3 5.000 . 5.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
420 1 43 GLU HA 1 46 LEU HG 5.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
421 1 43 GLU HA 1 46 LEU MD1 5.000 . 5.300 2.111 2.111 2.111 . 0 0 "[ ]" 1
422 1 43 GLU HA 1 46 LEU MD2 5.000 . 5.300 4.510 4.510 4.510 . 0 0 "[ ]" 1
423 1 44 ALA HA 1 47 LYS QB 5.000 . 6.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
424 1 44 ALA HA 1 47 LYS QG 5.000 . 6.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
425 1 44 ALA HA 1 47 LYS QD 5.000 . 6.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
426 1 45 ALA HA 1 48 PRO QG 5.000 . 6.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
427 1 45 ALA HA 1 48 PRO QD 5.000 . 6.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
428 1 49 PHE HB2 1 51 PRO QD 5.000 . 6.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
429 1 49 PHE HB3 1 51 PRO QD 5.000 . 6.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
430 1 51 PRO HA 1 55 LEU MD1 5.000 . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
431 1 52 ALA MB 1 55 LEU MD1 3.500 . 4.100 1.681 1.681 1.681 . 0 0 "[ ]" 1
432 1 53 SER HA 1 56 GLN HB2 5.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
433 1 53 SER HA 1 56 GLN QG 5.000 . 6.000 5.022 5.022 5.022 . 0 0 "[ ]" 1
434 1 54 ASP HA 1 57 ASN HB2 3.500 . 3.500 3.587 3.587 3.587 0.087 1 0 "[ ]" 1
435 1 54 ASP HA 1 57 ASN HB3 3.500 . 3.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
436 1 55 LEU HA 1 58 ALA MB 3.500 . 3.800 3.015 3.015 3.015 . 0 0 "[ ]" 1
437 1 57 ASN HA 1 60 THR HB 5.000 . 5.000 3.007 3.007 3.007 . 0 0 "[ ]" 1
438 1 58 ALA HA 1 61 GLN HB2 3.500 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
439 1 58 ALA HA 1 61 GLN HB3 5.000 . 5.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
440 1 58 ALA HA 1 61 GLN QG 5.000 . 6.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
441 1 59 GLY QA 1 62 LEU HB3 5.000 . 6.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
442 1 59 GLY QA 1 62 LEU MD2 5.000 . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
443 1 60 THR HA 1 63 LYS QB 2.800 . 3.800 3.319 3.319 3.319 . 0 0 "[ ]" 1
444 1 61 GLN HA 1 64 ARG QB 5.000 . 6.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
445 1 61 GLN HA 1 64 ARG QD 5.000 . 6.000 1.749 1.749 1.749 . 0 0 "[ ]" 1
446 1 61 GLN QG 1 65 LEU QD 5.000 . 8.400 3.709 3.709 3.709 . 0 0 "[ ]" 1
447 1 61 GLN HA 1 65 LEU HG 5.000 . 5.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
448 1 62 LEU HA 1 65 LEU HB2 3.500 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
449 1 62 LEU HA 1 65 LEU HB3 5.000 . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
450 1 62 LEU HA 1 65 LEU MD1 5.000 . 5.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
451 1 62 LEU HA 1 65 LEU MD2 5.000 . 5.300 4.457 4.457 4.457 . 0 0 "[ ]" 1
452 1 63 LYS HA 1 66 VAL HB 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
453 1 64 ARG HA 1 67 ASP QB 3.500 . 4.500 2.949 2.949 2.949 . 0 0 "[ ]" 1
454 1 65 LEU HA 1 68 THR HB 3.500 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1
455 1 66 VAL HA 1 69 LEU HG 5.000 . 5.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
456 1 66 VAL HA 1 69 LEU MD1 5.000 . 5.300 3.390 3.390 3.390 . 0 0 "[ ]" 1
457 1 69 LEU MD2 1 73 THR HB 5.000 . 5.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
458 1 70 PRO QB 1 73 THR HB 5.000 . 6.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
459 1 70 PRO QD 1 73 THR HB 5.000 . 6.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
460 1 70 PRO QG 1 73 THR HB 5.000 . 6.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
461 1 71 GLN QG 1 75 ILE MD 5.000 . 6.300 4.318 4.318 4.318 . 0 0 "[ ]" 1
462 1 72 GLU HA 1 75 ILE HB 2.800 . 2.800 2.911 2.911 2.911 0.111 1 0 "[ ]" 1
463 1 72 GLU QB 1 75 ILE HB 5.000 . 6.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
464 1 72 GLU HA 1 75 ILE MD 5.000 . 5.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
465 1 72 GLU QG 1 75 ILE MD 5.000 . 6.300 3.676 3.676 3.676 . 0 0 "[ ]" 1
466 1 73 THR HA 1 76 ASN HB3 5.000 . 5.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
467 1 73 THR HA 1 76 ASN HB2 3.500 . 3.500 1.947 1.947 1.947 . 0 0 "[ ]" 1
468 1 74 ARG HA 1 77 ILE HB 3.500 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
469 1 75 ILE HA 1 78 VAL HB 3.500 . 3.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
470 1 76 ASN HA 1 79 LYS HB2 5.000 . 5.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
471 1 76 ASN HA 1 79 LYS HB3 5.000 . 5.000 4.211 4.211 4.211 . 0 0 "[ ]" 1
472 1 76 ASN HA 1 79 LYS QD 5.000 . 6.000 5.470 5.470 5.470 . 0 0 "[ ]" 1
473 1 77 ILE HA 1 80 LEU HB2 2.800 . 2.800 2.962 2.962 2.962 0.162 1 0 "[ ]" 1
474 1 77 ILE HA 1 80 LEU HB3 5.000 . 5.000 1.744 1.744 1.744 . 0 0 "[ ]" 1
475 1 77 ILE HA 1 80 LEU HG 5.000 . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
476 1 78 VAL HA 1 81 THR HB 3.500 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
477 1 79 LYS HA 1 82 GLU QB 5.000 . 6.000 3.322 3.322 3.322 . 0 0 "[ ]" 1
478 1 79 LYS HA 1 82 GLU QG 5.000 . 6.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
479 1 80 LEU HA 1 83 LYS QB 5.000 . 6.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
480 1 80 LEU MD1 1 84 ILE MD 5.000 . 5.600 3.417 3.417 3.417 . 0 0 "[ ]" 1
481 1 81 THR HA 1 84 ILE HB 3.500 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
482 1 82 GLU HA 1 85 LEU HB2 3.500 . 3.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
483 1 82 GLU HA 1 85 LEU HB3 5.000 . 5.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
484 1 82 GLU HA 1 85 LEU MD1 5.000 . 5.300 4.224 4.224 4.224 . 0 0 "[ ]" 1
485 1 84 ILE HA 1 87 SER HB2 5.000 . 5.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
486 1 73 THR HA 1 76 ASN QD 3.500 . 4.500 4.007 4.007 4.007 . 0 0 "[ ]" 1
487 1 72 GLU QG 1 76 ASN QD 5.000 . 7.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
488 1 76 ASN QD 1 79 LYS QG 3.500 . 5.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
489 1 76 ASN QD 2 54 ASP QB 5.000 . 6.000 2.400 2.400 2.400 . 0 0 "[ ]" 1
490 1 68 THR H 1 68 THR HG1 3.200 . 3.200 2.640 2.640 2.640 . 0 0 "[ ]" 1
491 1 65 LEU HA 1 68 THR HG1 5.000 . 5.000 1.862 1.862 1.862 . 0 0 "[ ]" 1
492 1 68 THR HG1 1 69 LEU H 5.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
493 1 78 VAL HA 1 81 THR HG1 5.000 . 5.000 3.210 3.210 3.210 . 0 0 "[ ]" 1
494 1 81 THR H 1 81 THR HG1 2.700 . 2.700 2.759 2.759 2.759 0.059 1 0 "[ ]" 1
495 1 81 THR HG1 1 82 GLU H 5.000 . 5.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
496 1 33 ALA MB 1 42 TYR H 5.000 . 5.300 2.767 2.767 2.767 . 0 0 "[ ]" 1
497 1 34 LEU QD 1 63 LYS H 5.000 . 7.400 4.354 4.354 4.354 . 0 0 "[ ]" 1
498 1 35 LEU MD2 1 78 VAL H 5.000 . 5.300 3.648 3.648 3.648 . 0 0 "[ ]" 1
499 1 30 VAL H 1 45 ALA MB 5.000 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1
500 1 55 LEU MD2 2 76 ASN H 5.000 . 5.300 4.094 4.094 4.094 . 0 0 "[ ]" 1
501 1 58 ALA MB 2 77 ILE H 5.000 . 5.300 2.233 2.233 2.233 . 0 0 "[ ]" 1
502 1 58 ALA MB 2 76 ASN H 5.000 . 5.300 3.688 3.688 3.688 . 0 0 "[ ]" 1
503 1 77 ILE MD 2 62 LEU H 3.500 . 4.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
504 1 80 LEU MD2 2 59 GLY H 5.000 . 5.300 4.335 4.335 4.335 . 0 0 "[ ]" 1
505 1 33 ALA H 1 42 TYR QD 5.000 . 7.200 5.090 5.090 5.090 . 0 0 "[ ]" 1
506 1 34 LEU H 1 42 TYR QD 5.000 . 7.200 3.636 3.636 3.636 . 0 0 "[ ]" 1
507 1 34 LEU HA 1 42 TYR QD 5.000 . 7.200 2.641 2.641 2.641 . 0 0 "[ ]" 1
508 1 34 LEU QD 1 42 TYR QD 5.000 . 9.600 3.656 3.656 3.656 . 0 0 "[ ]" 1
509 1 34 LEU QB 1 42 TYR QD 5.000 . 8.200 2.814 2.814 2.814 . 0 0 "[ ]" 1
510 1 39 GLU HA 1 42 TYR QD 5.000 . 7.200 4.798 4.798 4.798 . 0 0 "[ ]" 1
511 1 42 TYR QD 1 43 GLU H 5.000 . 7.200 2.621 2.621 2.621 . 0 0 "[ ]" 1
512 1 42 TYR QD 1 43 GLU HA 5.000 . 7.200 2.857 2.857 2.857 . 0 0 "[ ]" 1
513 1 42 TYR QD 1 45 ALA MB 5.000 . 8.200 4.148 4.148 4.148 . 0 0 "[ ]" 1
514 1 42 TYR QD 1 46 LEU MD1 5.000 . 7.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
515 1 42 TYR QD 1 60 THR HA 5.000 . 7.200 3.174 3.174 3.174 . 0 0 "[ ]" 1
516 1 42 TYR QD 1 63 LYS QB 5.000 . 8.200 3.257 3.257 3.257 . 0 0 "[ ]" 1
517 1 42 TYR QD 1 63 LYS QG 5.000 . 8.200 4.281 4.281 4.281 . 0 0 "[ ]" 1
518 1 34 LEU H 1 42 TYR QE 5.000 . 7.200 5.167 5.167 5.167 . 0 0 "[ ]" 1
519 1 34 LEU HA 1 42 TYR QE 5.000 . 7.200 3.966 3.966 3.966 . 0 0 "[ ]" 1
520 1 34 LEU QB 1 42 TYR QE 5.000 . 8.200 2.857 2.857 2.857 . 0 0 "[ ]" 1
521 1 34 LEU QD 1 42 TYR QE 5.000 . 9.600 3.248 3.248 3.248 . 0 0 "[ ]" 1
522 1 42 TYR QE 1 45 ALA MB 5.000 . 8.200 5.118 5.118 5.118 . 0 0 "[ ]" 1
523 1 42 TYR QE 1 46 LEU MD1 5.000 . 7.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
524 1 42 TYR QE 1 46 LEU MD2 5.000 . 7.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
525 1 42 TYR QE 1 46 LEU HG 5.000 . 7.200 4.284 4.284 4.284 . 0 0 "[ ]" 1
526 1 42 TYR QE 1 59 GLY QA 5.000 . 8.200 2.340 2.340 2.340 . 0 0 "[ ]" 1
527 1 42 TYR QE 1 60 THR H 5.000 . 7.200 3.340 3.340 3.340 . 0 0 "[ ]" 1
528 1 42 TYR QE 1 60 THR HA 5.000 . 7.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
529 1 42 TYR QE 1 63 LYS QB 5.000 . 8.200 3.956 3.956 3.956 . 0 0 "[ ]" 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 83
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.023
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 25 PRO 0.000 0.000 . 0 "[ ]"
1 27 PHE 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 30 VAL 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 33 ALA 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.023 0.023 1 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 39 GLU 0.000 0.000 . 0 "[ ]"
1 41 ASN 0.000 0.000 . 0 "[ ]"
1 42 TYR 0.023 0.023 1 0 "[ ]"
1 45 ALA 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.000 0.000 . 0 "[ ]"
1 48 PRO 0.000 0.000 . 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 ASN 0.000 0.000 . 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 55 LEU 0.000 0.000 . 0 "[ ]"
1 56 GLN 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 GLY 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.000 0.000 . 0 "[ ]"
1 63 LYS 0.000 0.000 . 0 "[ ]"
1 66 VAL 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 74 ARG 0.000 0.000 . 0 "[ ]"
1 75 ILE 0.000 0.000 . 0 "[ ]"
1 76 ASN 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 81 THR 0.000 0.000 . 0 "[ ]"
1 84 ILE 0.000 0.000 . 0 "[ ]"
1 85 LEU 0.000 0.000 . 0 "[ ]"
1 87 SER 0.000 0.000 . 0 "[ ]"
2 27 PHE 0.000 0.000 . 0 "[ ]"
2 49 PHE 0.000 0.000 . 0 "[ ]"
2 55 LEU 0.000 0.000 . 0 "[ ]"
2 61 GLN 0.000 0.000 . 0 "[ ]"
2 73 THR 0.000 0.000 . 0 "[ ]"
2 76 ASN 0.000 0.000 . 0 "[ ]"
2 77 ILE 0.000 0.000 . 0 "[ ]"
2 80 LEU 0.000 0.000 . 0 "[ ]"
2 83 LYS 0.000 0.000 . 0 "[ ]"
2 84 ILE 0.000 0.000 . 0 "[ ]"
2 85 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 PRO HA 1 27 PHE QD 5.000 . 7.200 6.101 6.101 6.101 . 0 0 "[ ]" 2
2 1 27 PHE QD 1 28 LEU HA 5.000 . 8.200 4.086 4.086 4.086 . 0 0 "[ ]" 2
3 1 27 PHE QD 1 28 LEU HG 5.000 . 7.200 6.079 6.079 6.079 . 0 0 "[ ]" 2
4 1 27 PHE QD 1 28 LEU QD 5.000 . 10.800 4.817 4.817 4.817 . 0 0 "[ ]" 2
5 1 27 PHE QD 1 30 VAL HB 5.000 . 7.200 3.095 3.095 3.095 . 0 0 "[ ]" 2
6 1 27 PHE QD 1 31 LEU QB 5.000 . 8.200 4.350 4.350 4.350 . 0 0 "[ ]" 2
7 1 84 ILE MD 2 27 PHE QD 5.000 . 8.500 2.517 2.517 2.517 . 0 0 "[ ]" 2
8 1 84 ILE HB 2 27 PHE QD 5.000 . 8.200 5.236 5.236 5.236 . 0 0 "[ ]" 2
9 1 85 LEU HG 2 27 PHE QD 5.000 . 8.200 2.043 2.043 2.043 . 0 0 "[ ]" 2
10 1 85 LEU MD2 2 27 PHE QD 5.000 . 8.500 2.494 2.494 2.494 . 0 0 "[ ]" 2
11 1 27 PHE QE 1 28 LEU HA 5.000 . 7.200 4.769 4.769 4.769 . 0 0 "[ ]" 2
12 1 27 PHE QE 1 31 LEU QD 5.000 . 9.600 2.564 2.564 2.564 . 0 0 "[ ]" 2
13 1 27 PHE HZ 1 31 LEU QD 5.000 . 7.400 2.445 2.445 2.445 . 0 0 "[ ]" 2
14 1 85 LEU MD2 2 27 PHE HZ 5.000 . 5.300 3.877 3.877 3.877 . 0 0 "[ ]" 2
15 1 46 LEU MD2 1 49 PHE QD 5.000 . 7.500 2.837 2.837 2.837 . 0 0 "[ ]" 2
16 1 49 PHE QD 1 50 ASN H 5.000 . 7.200 4.593 4.593 4.593 . 0 0 "[ ]" 2
17 1 48 PRO QG 1 49 PHE QD 5.000 . 8.200 4.135 4.135 4.135 . 0 0 "[ ]" 2
18 1 48 PRO QD 1 49 PHE QD 5.000 . 8.200 3.938 3.938 3.938 . 0 0 "[ ]" 2
19 1 87 SER HB3 2 49 PHE QD 5.000 . 7.200 2.353 2.353 2.353 . 0 0 "[ ]" 2
20 1 87 SER HB2 2 49 PHE QD 5.000 . 7.200 3.274 3.274 3.274 . 0 0 "[ ]" 2
21 1 27 PHE QB 2 85 LEU MD1 5.000 . 6.300 3.482 3.482 3.482 . 0 0 "[ ]" 2
22 1 27 PHE QB 2 85 LEU MD2 5.000 . 6.300 1.799 1.799 1.799 . 0 0 "[ ]" 2
23 1 27 PHE HA 2 85 LEU MD1 5.000 . 5.300 4.394 4.394 4.394 . 0 0 "[ ]" 2
24 1 27 PHE HA 2 84 ILE MD 5.000 . 5.300 3.295 3.295 3.295 . 0 0 "[ ]" 2
25 1 27 PHE QB 2 84 ILE MD 5.000 . 6.300 4.422 4.422 4.422 . 0 0 "[ ]" 2
26 1 30 VAL HB 2 84 ILE MD 5.000 . 5.300 2.186 2.186 2.186 . 0 0 "[ ]" 2
27 1 31 LEU QD 1 78 VAL HA 5.000 . 7.400 4.361 4.361 4.361 . 0 0 "[ ]" 2
28 1 31 LEU QD 1 81 THR HB 5.000 . 7.400 3.816 3.816 3.816 . 0 0 "[ ]" 2
29 1 33 ALA MB 1 37 GLY QA 5.000 . 6.300 3.547 3.547 3.547 . 0 0 "[ ]" 2
30 1 33 ALA MB 1 41 ASN HA 5.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2
31 1 33 ALA MB 1 41 ASN HB3 5.000 . 5.300 3.953 3.953 3.953 . 0 0 "[ ]" 2
32 1 33 ALA MB 1 41 ASN HB2 5.000 . 5.300 2.503 2.503 2.503 . 0 0 "[ ]" 2
33 1 33 ALA MB 1 42 TYR HB3 5.000 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 2
34 1 33 ALA MB 1 42 TYR HB2 5.000 . 5.300 2.609 2.609 2.609 . 0 0 "[ ]" 2
35 1 33 ALA HA 1 45 ALA MB 5.000 . 5.600 4.696 4.696 4.696 . 0 0 "[ ]" 2
36 1 34 LEU HA 1 42 TYR HB3 5.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 2
37 1 34 LEU HA 1 42 TYR HB2 5.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 2
38 1 34 LEU QD 1 62 LEU MD2 3.500 . 3.800 1.669 1.669 1.669 . 0 0 "[ ]" 2
39 1 34 LEU QD 1 62 LEU MD1 5.000 . 5.300 1.757 1.757 1.757 . 0 0 "[ ]" 2
40 1 34 LEU HA 1 62 LEU MD2 5.000 . 5.300 4.241 4.241 4.241 . 0 0 "[ ]" 2
41 1 34 LEU QD 1 62 LEU HB3 5.000 . 7.400 4.264 4.264 4.264 . 0 0 "[ ]" 2
42 1 34 LEU HA 1 63 LYS QD 3.500 . 4.500 2.204 2.204 2.204 . 0 0 "[ ]" 2
43 1 34 LEU HA 1 63 LYS QE 5.000 . 6.000 2.996 2.996 2.996 . 0 0 "[ ]" 2
44 1 34 LEU QD 1 63 LYS QB 5.000 . 8.400 4.037 4.037 4.037 . 0 0 "[ ]" 2
45 1 34 LEU QD 1 63 LYS QD 5.000 . 8.400 2.772 2.772 2.772 . 0 0 "[ ]" 2
46 1 34 LEU QD 1 63 LYS QG 5.000 . 8.400 4.426 4.426 4.426 . 0 0 "[ ]" 2
47 1 34 LEU QD 1 63 LYS HA 5.000 . 7.400 2.747 2.747 2.747 . 0 0 "[ ]" 2
48 1 34 LEU QD 1 66 VAL HB 5.000 . 7.400 3.116 3.116 3.116 . 0 0 "[ ]" 2
49 1 35 LEU HA 1 66 VAL HB 5.000 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 2
50 1 35 LEU MD2 1 74 ARG HA 5.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2
51 1 36 LEU MD2 1 75 ILE HA 5.000 . 7.400 5.581 5.581 5.581 . 0 0 "[ ]" 2
52 1 39 GLU HA 1 63 LYS QE 3.500 . 4.500 3.712 3.712 3.712 . 0 0 "[ ]" 2
53 1 39 GLU HA 1 63 LYS QD 5.000 . 6.000 3.793 3.793 3.793 . 0 0 "[ ]" 2
54 1 39 GLU HA 1 63 LYS QG 5.000 . 6.000 2.580 2.580 2.580 . 0 0 "[ ]" 2
55 1 42 TYR HB3 1 63 LYS QD 5.000 . 6.000 2.813 2.813 2.813 . 0 0 "[ ]" 2
56 1 46 LEU MD1 1 51 PRO QG 5.000 . 6.300 3.013 3.013 3.013 . 0 0 "[ ]" 2
57 1 46 LEU MD1 1 56 GLN QG 5.000 . 6.300 3.200 3.200 3.200 . 0 0 "[ ]" 2
58 1 46 LEU MD1 1 56 GLN HA 5.000 . 5.300 3.704 3.704 3.704 . 0 0 "[ ]" 2
59 1 46 LEU MD1 1 59 GLY QA 5.000 . 6.300 2.749 2.749 2.749 . 0 0 "[ ]" 2
60 1 46 LEU MD1 2 80 LEU MD2 5.000 . 5.600 3.580 3.580 3.580 . 0 0 "[ ]" 2
61 1 46 LEU MD2 2 80 LEU MD2 5.000 . 5.600 2.217 2.217 2.217 . 0 0 "[ ]" 2
62 1 46 LEU MD2 1 56 GLN HA 5.000 . 5.300 3.714 3.714 3.714 . 0 0 "[ ]" 2
63 1 46 LEU MD2 2 84 ILE HA 5.000 . 5.300 3.326 3.326 3.326 . 0 0 "[ ]" 2
64 1 51 PRO QB 2 80 LEU MD1 5.000 . 6.300 4.125 4.125 4.125 . 0 0 "[ ]" 2
65 1 51 PRO HA 2 83 LYS QE 5.000 . 6.000 4.052 4.052 4.052 . 0 0 "[ ]" 2
66 1 55 LEU MD2 2 76 ASN HA 5.000 . 5.300 1.745 1.745 1.745 . 0 0 "[ ]" 2
67 1 55 LEU MD2 2 76 ASN HB3 5.000 . 5.300 3.006 3.006 3.006 . 0 0 "[ ]" 2
68 1 55 LEU MD2 2 76 ASN HB2 5.000 . 5.300 3.870 3.870 3.870 . 0 0 "[ ]" 2
69 1 55 LEU MD1 2 83 LYS QE 5.000 . 6.300 2.423 2.423 2.423 . 0 0 "[ ]" 2
70 1 56 GLN HA 2 80 LEU MD1 5.000 . 5.300 4.149 4.149 4.149 . 0 0 "[ ]" 2
71 1 58 ALA MB 2 73 THR HA 5.000 . 5.300 2.252 2.252 2.252 . 0 0 "[ ]" 2
72 1 58 ALA MB 2 76 ASN HB3 5.000 . 5.300 1.667 1.667 1.667 . 0 0 "[ ]" 2
73 1 58 ALA MB 2 76 ASN HB2 5.000 . 5.300 1.912 1.912 1.912 . 0 0 "[ ]" 2
74 1 58 ALA MB 2 77 ILE HA 5.000 . 5.300 2.848 2.848 2.848 . 0 0 "[ ]" 2
75 1 58 ALA MB 2 77 ILE MD 5.000 . 5.600 1.707 1.707 1.707 . 0 0 "[ ]" 2
76 1 59 GLY QA 2 80 LEU MD2 5.000 . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 2
77 1 62 LEU HA 2 77 ILE MD 5.000 . 5.300 4.214 4.214 4.214 . 0 0 "[ ]" 2
78 1 62 LEU HB3 2 77 ILE MD 5.000 . 5.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
79 1 69 LEU MD2 2 61 GLN QG 5.000 . 6.300 2.734 2.734 2.734 . 0 0 "[ ]" 2
80 1 69 LEU MD2 2 61 GLN HB3 5.000 . 5.300 2.855 2.855 2.855 . 0 0 "[ ]" 2
81 1 69 LEU MD2 2 61 GLN HB2 5.000 . 5.300 3.492 3.492 3.492 . 0 0 "[ ]" 2
82 1 76 ASN HB3 2 55 LEU HA 3.500 . 3.500 2.340 2.340 2.340 . 0 0 "[ ]" 2
83 1 76 ASN HB2 2 55 LEU HA 5.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 34 LEU 0.000 0.000 . 0 "[ ]"
1 42 TYR 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.000 0.000 . 0 "[ ]"
1 59 GLY 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.000 0.000 . 0 "[ ]"
1 80 LEU 0.000 0.000 . 0 "[ ]"
2 42 TYR 0.000 0.000 . 0 "[ ]"
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 34 LEU QD 1 42 TYR OH 5.000 . 7.400 4.708 4.708 4.708 . 0 0 "[ ]" 3
2 1 42 TYR OH 1 46 LEU MD1 5.000 . 5.300 2.630 2.630 2.630 . 0 0 "[ ]" 3
3 1 42 TYR OH 1 46 LEU MD2 5.000 . 5.300 3.535 3.535 3.535 . 0 0 "[ ]" 3
4 1 42 TYR OH 1 59 GLY QA 5.000 . 6.000 1.998 1.998 1.998 . 0 0 "[ ]" 3
5 1 42 TYR OH 1 62 LEU MD2 5.000 . 5.300 4.624 4.624 4.624 . 0 0 "[ ]" 3
6 1 80 LEU MD2 2 42 TYR OH 5.000 . 5.300 4.396 4.396 4.396 . 0 0 "[ ]" 3
stop_
save_
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