NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378314 |
1h4b   |
5707 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h4b
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 1121
_Distance_constraint_stats_list.Viol_count 4038
_Distance_constraint_stats_list.Viol_total 4542.250
_Distance_constraint_stats_list.Viol_max 0.943
_Distance_constraint_stats_list.Viol_rms 0.0346
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0450
_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 ALA 0.027 0.023 18 0 "[ . 1 . 2 .]"
1 2 ASP 0.040 0.023 18 0 "[ . 1 . 2 .]"
1 3 ASP 0.014 0.006 16 0 "[ . 1 . 2 .]"
1 4 HIS 2.668 0.217 2 0 "[ . 1 . 2 .]"
1 5 PRO 0.588 0.056 17 0 "[ . 1 . 2 .]"
1 6 GLN 3.416 0.087 20 0 "[ . 1 . 2 .]"
1 7 ASP 3.470 0.071 22 0 "[ . 1 . 2 .]"
1 8 LYS 3.650 0.071 22 0 "[ . 1 . 2 .]"
1 9 ALA 4.225 0.076 16 0 "[ . 1 . 2 .]"
1 10 GLU 3.885 0.076 16 0 "[ . 1 . 2 .]"
1 11 ARG 5.057 0.113 15 0 "[ . 1 . 2 .]"
1 12 GLU 6.563 0.109 19 0 "[ . 1 . 2 .]"
1 13 ARG 7.025 0.535 19 2 "[ . 1 - +2 .]"
1 14 ILE 3.365 0.151 15 0 "[ . 1 . 2 .]"
1 15 PHE 4.241 0.065 24 0 "[ . 1 . 2 .]"
1 16 LYS 2.682 0.034 3 0 "[ . 1 . 2 .]"
1 17 ARG 1.678 0.073 4 0 "[ . 1 . 2 .]"
1 18 PHE 3.096 0.073 16 0 "[ . 1 . 2 .]"
1 19 ASP 4.278 0.100 1 0 "[ . 1 . 2 .]"
1 20 ALA 0.529 0.026 3 0 "[ . 1 . 2 .]"
1 21 ASN 0.766 0.040 18 0 "[ . 1 . 2 .]"
1 22 GLY 0.021 0.005 2 0 "[ . 1 . 2 .]"
1 23 ASP 1.800 0.141 18 0 "[ . 1 . 2 .]"
1 24 GLY 8.245 0.265 12 0 "[ . 1 . 2 .]"
1 25 LYS 2.350 0.100 1 0 "[ . 1 . 2 .]"
1 26 ILE 3.881 0.069 3 0 "[ . 1 . 2 .]"
1 27 SER 1.420 0.069 3 0 "[ . 1 . 2 .]"
1 28 ALA 3.066 0.066 19 0 "[ . 1 . 2 .]"
1 29 ALA 4.061 0.065 7 0 "[ . 1 . 2 .]"
1 30 GLU 5.758 0.083 3 0 "[ . 1 . 2 .]"
1 31 LEU 5.806 0.083 3 0 "[ . 1 . 2 .]"
1 32 GLY 1.957 0.067 11 0 "[ . 1 . 2 .]"
1 33 GLU 12.718 0.401 16 0 "[ . 1 . 2 .]"
1 34 ALA 3.149 0.066 9 0 "[ . 1 . 2 .]"
1 35 LEU 2.876 0.082 23 0 "[ . 1 . 2 .]"
1 36 LYS 3.080 0.076 15 0 "[ . 1 . 2 .]"
1 37 THR 2.003 0.066 9 0 "[ . 1 . 2 .]"
1 38 LEU 1.673 0.066 9 0 "[ . 1 . 2 .]"
1 39 GLY 0.557 0.054 15 0 "[ . 1 . 2 .]"
1 40 SER 0.859 0.039 17 0 "[ . 1 . 2 .]"
1 41 ILE 2.302 0.103 22 0 "[ . 1 . 2 .]"
1 42 THR 4.272 0.103 22 0 "[ . 1 . 2 .]"
1 43 PRO 0.801 0.035 21 0 "[ . 1 . 2 .]"
1 44 ASP 3.861 0.101 9 0 "[ . 1 . 2 .]"
1 45 GLU 3.709 0.075 10 0 "[ . 1 . 2 .]"
1 46 VAL 6.074 0.075 3 0 "[ . 1 . 2 .]"
1 47 LYS 2.521 0.041 22 0 "[ . 1 . 2 .]"
1 48 HIS 1.436 0.043 21 0 "[ . 1 . 2 .]"
1 49 MET 4.838 0.075 10 0 "[ . 1 . 2 .]"
1 50 MET 5.219 0.085 13 0 "[ . 1 . 2 .]"
1 51 ALA 6.838 0.943 25 4 "[ *. - 1 . 2 * +]"
1 52 GLU 6.918 0.943 25 4 "[ *. - 1 . 2 * +]"
1 53 ILE 6.489 0.106 12 0 "[ . 1 . 2 .]"
1 54 ASP 6.785 0.134 15 0 "[ . 1 . 2 .]"
1 55 THR 2.596 0.076 25 0 "[ . 1 . 2 .]"
1 56 ASP 7.426 0.185 25 0 "[ . 1 . 2 .]"
1 57 GLY 0.643 0.053 15 0 "[ . 1 . 2 .]"
1 58 ASP 0.203 0.047 21 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 PHE 0.203 0.047 21 0 "[ . 1 . 2 .]"
1 61 ILE 3.060 0.075 13 0 "[ . 1 . 2 .]"
1 62 SER 16.939 0.903 23 12 "[ * *.* * 1****- ** + .]"
1 63 PHE 10.894 0.793 21 9 "[ -.* * 1 ***. *+ * .]"
1 64 GLN 16.217 0.903 23 12 "[ * *.* * 1****- ** + .]"
1 65 GLU 3.210 0.086 23 0 "[ . 1 . 2 .]"
1 66 PHE 4.208 0.063 14 0 "[ . 1 . 2 .]"
1 67 THR 1.337 0.043 17 0 "[ . 1 . 2 .]"
1 68 ASP 6.247 0.419 14 0 "[ . 1 . 2 .]"
1 69 PHE 5.636 0.132 21 0 "[ . 1 . 2 .]"
1 70 GLY 0.896 0.044 13 0 "[ . 1 . 2 .]"
1 71 ARG 0.775 0.078 13 0 "[ . 1 . 2 .]"
1 72 ALA 1.388 0.074 14 0 "[ . 1 . 2 .]"
1 73 ASN 6.081 0.567 24 4 "[ * . * 1 . 2 +*]"
1 74 ARG 3.321 0.106 8 0 "[ . 1 . 2 .]"
1 75 GLY 4.568 0.518 24 1 "[ . 1 . 2 +.]"
1 76 LEU 2.131 0.095 14 0 "[ . 1 . 2 .]"
1 77 LEU 3.691 0.163 19 0 "[ . 1 . 2 .]"
1 78 LYS 1.259 0.058 18 0 "[ . 1 . 2 .]"
1 79 ASP 1.591 0.073 12 0 "[ . 1 . 2 .]"
1 80 VAL 3.719 0.121 6 0 "[ . 1 . 2 .]"
1 81 ALA 3.296 0.121 6 0 "[ . 1 . 2 .]"
1 82 LYS 6.636 0.828 13 7 "[ * . 1* +** -* 2 .]"
1 83 ILE 7.339 0.828 13 7 "[ * . 1* +** -* 2 .]"
1 84 PHE 1.693 0.059 19 0 "[ . 1 . 2 .]"
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 ALA HA 1 2 ASP H 0.000 . 3.500 2.728 2.191 3.523 0.023 18 0 "[ . 1 . 2 .]" 1
2 1 1 ALA MB 1 2 ASP H 0.000 . 5.000 2.900 1.834 3.731 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 ASP H 1 3 ASP QB 0.000 . 5.000 4.577 4.082 4.991 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 ALA MB 1 3 ASP H 0.000 . 5.000 3.395 2.200 4.444 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 ASP HA 1 3 ASP H 0.000 . 3.500 3.196 2.225 3.506 0.006 16 0 "[ . 1 . 2 .]" 1
6 1 2 ASP H 1 3 ASP H 0.000 . 5.000 2.747 2.401 4.270 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 ASP H 1 3 ASP QB 0.000 . 3.500 2.401 2.264 2.642 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 ASP H 1 4 HIS H 0.000 . 5.000 4.534 4.259 4.676 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 ASP HA 1 4 HIS H 0.000 . 3.500 2.245 2.191 2.605 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 ASP QB 1 4 HIS H 0.000 . 5.000 3.359 2.148 3.937 . 0 0 "[ . 1 . 2 .]" 1
11 1 4 HIS H 1 4 HIS HB2 0.000 . 3.500 3.318 2.442 3.717 0.217 2 0 "[ . 1 . 2 .]" 1
12 1 4 HIS H 1 4 HIS HD2 0.000 . 5.000 3.488 2.057 4.701 . 0 0 "[ . 1 . 2 .]" 1
13 1 4 HIS H 1 5 PRO QD 0.000 . 5.000 4.397 4.375 4.455 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 HIS H 1 6 GLN HB2 0.000 . 5.000 5.036 5.011 5.087 0.087 20 0 "[ . 1 . 2 .]" 1
15 1 4 HIS H 1 6 GLN H 0.000 . 5.000 4.652 4.592 4.764 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 HIS H 1 7 ASP HB2 0.000 . 5.000 3.417 3.158 3.773 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 HIS H 1 7 ASP HB3 0.000 . 5.000 4.779 4.608 5.025 0.025 11 0 "[ . 1 . 2 .]" 1
18 1 6 GLN HE21 1 6 GLN QG 0.000 . 2.700 2.503 2.214 2.707 0.007 17 0 "[ . 1 . 2 .]" 1
19 1 6 GLN HB2 1 6 GLN HE22 0.000 . 5.000 3.698 3.333 5.051 0.051 23 0 "[ . 1 . 2 .]" 1
20 1 6 GLN HB3 1 6 GLN HE22 0.000 . 5.000 4.365 4.033 4.926 . 0 0 "[ . 1 . 2 .]" 1
21 1 6 GLN HE22 1 6 GLN QG 0.000 . 3.500 3.403 3.289 3.469 . 0 0 "[ . 1 . 2 .]" 1
22 1 6 GLN H 1 6 GLN HE22 0.000 . 5.000 4.779 4.494 5.001 0.001 17 0 "[ . 1 . 2 .]" 1
23 1 4 HIS HA 1 6 GLN H 0.000 . 5.000 4.143 3.892 4.254 . 0 0 "[ . 1 . 2 .]" 1
24 1 4 HIS HB3 1 6 GLN H 0.000 . 5.000 3.655 2.373 4.052 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 HIS HB2 1 6 GLN H 0.000 . 5.000 2.517 2.156 4.120 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 PRO HA 1 6 GLN H 0.000 . 3.500 3.484 3.449 3.501 0.001 18 0 "[ . 1 . 2 .]" 1
27 1 5 PRO HB3 1 6 GLN H 0.000 . 5.000 4.254 4.247 4.266 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 PRO HB2 1 6 GLN H 0.000 . 3.500 3.522 3.503 3.556 0.056 17 0 "[ . 1 . 2 .]" 1
29 1 5 PRO HD3 1 6 GLN H 0.000 . 5.000 3.885 3.863 3.904 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 PRO HD2 1 6 GLN H 0.000 . 5.000 2.756 2.707 2.836 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 PRO QG 1 6 GLN H 0.000 . 5.000 2.568 2.543 2.598 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 GLN H 1 6 GLN HB2 0.000 . 2.700 2.217 2.154 2.379 . 0 0 "[ . 1 . 2 .]" 1
33 1 6 GLN H 1 6 GLN HB3 0.000 . 3.500 3.526 3.490 3.579 0.079 18 0 "[ . 1 . 2 .]" 1
34 1 6 GLN H 1 6 GLN QG 0.000 . 3.500 2.734 2.282 2.996 . 0 0 "[ . 1 . 2 .]" 1
35 1 4 HIS HB3 1 7 ASP H 0.000 . 5.000 4.707 2.964 5.057 0.057 15 0 "[ . 1 . 2 .]" 1
36 1 4 HIS HB2 1 7 ASP H 0.000 . 5.000 3.696 3.346 4.364 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 PRO HA 1 7 ASP H 0.000 . 5.000 4.162 3.992 4.349 . 0 0 "[ . 1 . 2 .]" 1
38 1 6 GLN HA 1 7 ASP H 0.000 . 3.500 3.540 3.526 3.555 0.055 2 0 "[ . 1 . 2 .]" 1
39 1 6 GLN HB2 1 7 ASP H 0.000 . 3.500 2.781 2.572 2.905 . 0 0 "[ . 1 . 2 .]" 1
40 1 6 GLN HB3 1 7 ASP H 0.000 . 3.500 3.349 3.174 3.508 0.008 18 0 "[ . 1 . 2 .]" 1
41 1 6 GLN QG 1 7 ASP H 0.000 . 5.000 4.322 4.104 4.400 . 0 0 "[ . 1 . 2 .]" 1
42 1 6 GLN H 1 7 ASP H 0.000 . 3.500 2.669 2.614 2.743 . 0 0 "[ . 1 . 2 .]" 1
43 1 7 ASP H 1 7 ASP HB2 0.000 . 3.500 2.405 2.237 2.478 . 0 0 "[ . 1 . 2 .]" 1
44 1 7 ASP H 1 8 LYS QB 0.000 . 5.000 4.516 4.434 4.616 . 0 0 "[ . 1 . 2 .]" 1
45 1 7 ASP H 1 10 GLU QG 0.000 . 5.000 4.938 4.856 4.990 . 0 0 "[ . 1 . 2 .]" 1
46 1 5 PRO HA 1 8 LYS H 0.000 . 5.000 3.385 3.229 3.549 . 0 0 "[ . 1 . 2 .]" 1
47 1 6 GLN HA 1 8 LYS H 0.000 . 5.000 4.501 4.341 4.761 . 0 0 "[ . 1 . 2 .]" 1
48 1 6 GLN H 1 8 LYS H 0.000 . 5.000 4.340 4.161 4.576 . 0 0 "[ . 1 . 2 .]" 1
49 1 7 ASP HA 1 8 LYS H 0.000 . 3.500 3.557 3.546 3.571 0.071 22 0 "[ . 1 . 2 .]" 1
50 1 7 ASP HB2 1 8 LYS H 0.000 . 3.500 2.521 2.307 2.634 . 0 0 "[ . 1 . 2 .]" 1
51 1 7 ASP HB3 1 8 LYS H 0.000 . 5.000 3.384 2.932 3.591 . 0 0 "[ . 1 . 2 .]" 1
52 1 8 LYS H 1 8 LYS QB 0.000 . 2.700 2.274 2.223 2.342 . 0 0 "[ . 1 . 2 .]" 1
53 1 8 LYS H 1 8 LYS QD 0.000 . 5.000 4.219 3.936 4.361 . 0 0 "[ . 1 . 2 .]" 1
54 1 8 LYS H 1 8 LYS HG3 0.000 . 3.500 2.697 2.440 2.885 . 0 0 "[ . 1 . 2 .]" 1
55 1 8 LYS H 1 8 LYS HG2 0.000 . 3.500 3.512 3.500 3.527 0.027 4 0 "[ . 1 . 2 .]" 1
56 1 8 LYS H 1 9 ALA MB 0.000 . 5.000 4.453 4.378 4.570 . 0 0 "[ . 1 . 2 .]" 1
57 1 8 LYS H 1 10 GLU H 0.000 . 5.000 4.420 4.324 4.501 . 0 0 "[ . 1 . 2 .]" 1
58 1 5 PRO HA 1 9 ALA H 0.000 . 5.000 4.881 4.636 5.016 0.016 8 0 "[ . 1 . 2 .]" 1
59 1 6 GLN HA 1 9 ALA H 0.000 . 5.000 3.494 3.341 3.618 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 ASP HA 1 9 ALA H 0.000 . 5.000 4.063 4.026 4.195 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 ASP HB2 1 9 ALA H 0.000 . 5.000 4.926 4.782 5.006 0.006 21 0 "[ . 1 . 2 .]" 1
62 1 8 LYS HA 1 9 ALA H 0.000 . 3.500 3.531 3.524 3.539 0.039 1 0 "[ . 1 . 2 .]" 1
63 1 8 LYS QB 1 9 ALA H 0.000 . 2.700 2.712 2.649 2.730 0.030 15 0 "[ . 1 . 2 .]" 1
64 1 8 LYS QD 1 9 ALA H 0.000 . 5.000 4.999 4.928 5.020 0.020 2 0 "[ . 1 . 2 .]" 1
65 1 8 LYS HG3 1 9 ALA H 0.000 . 5.000 4.739 4.599 4.838 . 0 0 "[ . 1 . 2 .]" 1
66 1 8 LYS HG2 1 9 ALA H 0.000 . 5.000 4.956 4.921 5.010 0.010 10 0 "[ . 1 . 2 .]" 1
67 1 9 ALA H 1 9 ALA MB 0.000 . 2.700 2.152 2.052 2.264 . 0 0 "[ . 1 . 2 .]" 1
68 1 9 ALA H 1 10 GLU QG 0.000 . 5.000 4.098 4.021 4.210 . 0 0 "[ . 1 . 2 .]" 1
69 1 9 ALA H 1 10 GLU H 0.000 . 2.700 2.745 2.719 2.776 0.076 16 0 "[ . 1 . 2 .]" 1
70 1 9 ALA H 1 11 ARG H 0.000 . 5.000 4.049 3.914 4.282 . 0 0 "[ . 1 . 2 .]" 1
71 1 6 GLN HA 1 10 GLU H 0.000 . 5.000 4.991 4.825 5.020 0.020 6 0 "[ . 1 . 2 .]" 1
72 1 7 ASP HA 1 10 GLU H 0.000 . 5.000 3.298 3.227 3.415 . 0 0 "[ . 1 . 2 .]" 1
73 1 7 ASP HB3 1 10 GLU H 0.000 . 5.000 5.005 4.984 5.020 0.020 3 0 "[ . 1 . 2 .]" 1
74 1 8 LYS HA 1 10 GLU H 0.000 . 5.000 4.386 4.178 4.460 . 0 0 "[ . 1 . 2 .]" 1
75 1 9 ALA HA 1 10 GLU H 0.000 . 3.500 3.549 3.536 3.553 0.053 2 0 "[ . 1 . 2 .]" 1
76 1 9 ALA MB 1 10 GLU H 0.000 . 2.700 2.461 2.363 2.569 . 0 0 "[ . 1 . 2 .]" 1
77 1 10 GLU H 1 10 GLU HB2 0.000 . 2.700 2.629 2.562 2.673 . 0 0 "[ . 1 . 2 .]" 1
78 1 10 GLU H 1 10 GLU QG 0.000 . 3.500 1.955 1.855 2.051 . 0 0 "[ . 1 . 2 .]" 1
79 1 10 GLU H 1 11 ARG H 0.000 . 2.700 2.599 2.521 2.669 . 0 0 "[ . 1 . 2 .]" 1
80 1 10 GLU H 1 12 GLU H 0.000 . 5.000 4.041 3.960 4.101 . 0 0 "[ . 1 . 2 .]" 1
81 1 10 GLU H 1 13 ARG HD2 0.000 . 5.000 4.831 3.938 5.005 0.005 6 0 "[ . 1 . 2 .]" 1
82 1 10 GLU H 1 14 ILE MD 0.000 . 5.000 4.990 4.927 5.005 0.005 9 0 "[ . 1 . 2 .]" 1
83 1 8 LYS HA 1 11 ARG HE 0.000 . 5.000 3.281 1.873 4.944 . 0 0 "[ . 1 . 2 .]" 1
84 1 11 ARG HB2 1 11 ARG HE 0.000 . 5.000 3.255 1.841 4.558 . 0 0 "[ . 1 . 2 .]" 1
85 1 11 ARG HB3 1 11 ARG HE 0.000 . 5.000 3.755 2.227 4.669 . 0 0 "[ . 1 . 2 .]" 1
86 1 11 ARG HE 1 11 ARG HG3 0.000 . 3.500 2.744 2.396 3.247 . 0 0 "[ . 1 . 2 .]" 1
87 1 11 ARG HE 1 11 ARG HG2 0.000 . 3.500 3.523 2.887 3.613 0.113 15 0 "[ . 1 . 2 .]" 1
88 1 11 ARG H 1 11 ARG HE 0.000 . 5.000 4.483 3.593 5.025 0.025 7 0 "[ . 1 . 2 .]" 1
89 1 11 ARG HE 1 67 THR HA 0.000 . 5.000 4.447 3.623 4.913 . 0 0 "[ . 1 . 2 .]" 1
90 1 11 ARG HE 1 67 THR MG 0.000 . 3.500 3.321 2.772 3.531 0.031 7 0 "[ . 1 . 2 .]" 1
91 1 7 ASP HA 1 11 ARG H 0.000 . 5.000 4.260 4.080 4.613 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 LYS HA 1 11 ARG H 0.000 . 3.500 3.204 3.037 3.277 . 0 0 "[ . 1 . 2 .]" 1
93 1 8 LYS QB 1 11 ARG H 0.000 . 5.000 4.718 4.561 4.803 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 LYS QG 1 11 ARG H 0.000 . 5.000 4.981 4.838 5.029 0.029 19 0 "[ . 1 . 2 .]" 1
95 1 9 ALA HA 1 11 ARG H 0.000 . 5.000 4.509 4.380 4.651 . 0 0 "[ . 1 . 2 .]" 1
96 1 9 ALA MB 1 11 ARG H 0.000 . 5.000 4.442 4.340 4.593 . 0 0 "[ . 1 . 2 .]" 1
97 1 10 GLU HA 1 11 ARG H 0.000 . 3.500 3.540 3.522 3.558 0.058 1 0 "[ . 1 . 2 .]" 1
98 1 10 GLU HB2 1 11 ARG H 0.000 . 2.700 2.560 2.428 2.707 0.007 19 0 "[ . 1 . 2 .]" 1
99 1 10 GLU HB3 1 11 ARG H 0.000 . 5.000 3.761 3.586 3.884 . 0 0 "[ . 1 . 2 .]" 1
100 1 10 GLU QG 1 11 ARG H 0.000 . 5.000 3.792 3.740 3.901 . 0 0 "[ . 1 . 2 .]" 1
101 1 11 ARG H 1 11 ARG HB2 0.000 . 3.500 2.385 2.334 2.466 . 0 0 "[ . 1 . 2 .]" 1
102 1 11 ARG H 1 11 ARG HD3 0.000 . 5.000 4.890 4.622 5.030 0.030 17 0 "[ . 1 . 2 .]" 1
103 1 11 ARG H 1 11 ARG HD2 0.000 . 5.000 4.626 4.081 5.010 0.010 23 0 "[ . 1 . 2 .]" 1
104 1 11 ARG H 1 11 ARG HG3 0.000 . 2.700 2.424 2.306 2.501 . 0 0 "[ . 1 . 2 .]" 1
105 1 11 ARG H 1 11 ARG HG2 0.000 . 3.500 3.388 3.090 3.526 0.026 1 0 "[ . 1 . 2 .]" 1
106 1 11 ARG H 1 14 ILE MD 0.000 . 5.000 3.703 3.540 3.898 . 0 0 "[ . 1 . 2 .]" 1
107 1 11 ARG H 1 63 PHE QE 0.000 . 5.000 4.749 4.697 4.805 . 0 0 "[ . 1 . 2 .]" 1
108 1 8 LYS HA 1 12 GLU H 0.000 . 5.000 3.604 3.526 3.720 . 0 0 "[ . 1 . 2 .]" 1
109 1 8 LYS QB 1 12 GLU H 0.000 . 5.000 4.223 4.083 4.304 . 0 0 "[ . 1 . 2 .]" 1
110 1 8 LYS QG 1 12 GLU H 0.000 . 5.000 5.018 4.996 5.040 0.040 10 0 "[ . 1 . 2 .]" 1
111 1 9 ALA HA 1 12 GLU H 0.000 . 3.500 3.523 3.512 3.545 0.045 19 0 "[ . 1 . 2 .]" 1
112 1 9 ALA MB 1 12 GLU H 0.000 . 5.000 4.609 4.584 4.644 . 0 0 "[ . 1 . 2 .]" 1
113 1 9 ALA H 1 12 GLU H 0.000 . 5.000 4.505 4.459 4.578 . 0 0 "[ . 1 . 2 .]" 1
114 1 10 GLU HA 1 12 GLU H 0.000 . 5.000 4.437 4.398 4.499 . 0 0 "[ . 1 . 2 .]" 1
115 1 11 ARG HA 1 12 GLU H 0.000 . 3.500 3.535 3.530 3.544 0.044 19 0 "[ . 1 . 2 .]" 1
116 1 11 ARG HB2 1 12 GLU H 0.000 . 3.500 2.622 2.555 2.673 . 0 0 "[ . 1 . 2 .]" 1
117 1 11 ARG HB3 1 12 GLU H 0.000 . 3.500 3.543 3.518 3.592 0.092 14 0 "[ . 1 . 2 .]" 1
118 1 11 ARG HG2 1 12 GLU H 0.000 . 5.000 4.888 4.741 4.965 . 0 0 "[ . 1 . 2 .]" 1
119 1 11 ARG H 1 12 GLU H 0.000 . 3.500 2.611 2.560 2.662 . 0 0 "[ . 1 . 2 .]" 1
120 1 12 GLU H 1 12 GLU HB3 0.000 . 3.500 3.490 2.532 3.573 0.073 15 0 "[ . 1 . 2 .]" 1
121 1 12 GLU H 1 12 GLU HB2 0.000 . 3.500 2.278 2.164 3.609 0.109 19 0 "[ . 1 . 2 .]" 1
122 1 12 GLU H 1 12 GLU HG3 0.000 . 3.500 2.854 2.513 3.238 . 0 0 "[ . 1 . 2 .]" 1
123 1 12 GLU H 1 12 GLU HG2 0.000 . 5.000 3.685 2.113 4.013 . 0 0 "[ . 1 . 2 .]" 1
124 1 12 GLU H 1 15 PHE HB3 0.000 . 5.000 5.041 5.017 5.053 0.053 22 0 "[ . 1 . 2 .]" 1
125 1 12 GLU H 1 63 PHE QE 0.000 . 5.000 3.221 3.127 3.295 . 0 0 "[ . 1 . 2 .]" 1
126 1 12 GLU H 1 63 PHE HZ 0.000 . 5.000 2.960 2.907 3.034 . 0 0 "[ . 1 . 2 .]" 1
127 1 13 ARG HB3 1 13 ARG HE 0.000 . 5.000 3.220 2.366 4.440 . 0 0 "[ . 1 . 2 .]" 1
128 1 13 ARG HB2 1 13 ARG HE 0.000 . 5.000 3.952 3.224 4.717 . 0 0 "[ . 1 . 2 .]" 1
129 1 13 ARG HE 1 13 ARG HG2 0.000 . 3.500 2.472 2.094 3.455 . 0 0 "[ . 1 . 2 .]" 1
130 1 13 ARG QD 1 13 ARG QH 0.000 . 3.500 2.185 1.850 2.705 . 0 0 "[ . 1 . 2 .]" 1
131 1 9 ALA HA 1 13 ARG H 0.000 . 5.000 3.982 3.823 4.126 . 0 0 "[ . 1 . 2 .]" 1
132 1 10 GLU HA 1 13 ARG H 0.000 . 3.500 3.496 3.443 3.521 0.021 19 0 "[ . 1 . 2 .]" 1
133 1 11 ARG HA 1 13 ARG H 0.000 . 5.000 4.454 4.385 4.528 . 0 0 "[ . 1 . 2 .]" 1
134 1 11 ARG H 1 13 ARG H 0.000 . 5.000 4.112 3.985 4.203 . 0 0 "[ . 1 . 2 .]" 1
135 1 12 GLU HA 1 13 ARG H 0.000 . 3.500 3.548 3.542 3.554 0.054 7 0 "[ . 1 . 2 .]" 1
136 1 12 GLU HB3 1 13 ARG H 0.000 . 5.000 3.338 3.167 3.874 . 0 0 "[ . 1 . 2 .]" 1
137 1 12 GLU HB2 1 13 ARG H 0.000 . 5.000 2.806 2.641 3.797 . 0 0 "[ . 1 . 2 .]" 1
138 1 12 GLU HG2 1 13 ARG H 0.000 . 5.000 4.856 2.405 5.006 0.006 10 0 "[ . 1 . 2 .]" 1
139 1 12 GLU H 1 13 ARG H 0.000 . 3.500 2.643 2.581 2.676 . 0 0 "[ . 1 . 2 .]" 1
140 1 13 ARG H 1 13 ARG QB 0.000 . 2.700 2.426 2.272 2.492 . 0 0 "[ . 1 . 2 .]" 1
141 1 13 ARG H 1 13 ARG HD2 0.000 . 5.000 4.045 3.405 4.228 . 0 0 "[ . 1 . 2 .]" 1
142 1 13 ARG H 1 13 ARG HD3 0.000 . 5.000 3.845 3.584 4.228 . 0 0 "[ . 1 . 2 .]" 1
143 1 13 ARG H 1 13 ARG HG2 0.000 . 3.500 3.617 3.484 4.035 0.535 19 2 "[ . 1 - +2 .]" 1
144 1 13 ARG H 1 14 ILE HB 0.000 . 5.000 4.893 4.842 4.943 . 0 0 "[ . 1 . 2 .]" 1
145 1 13 ARG H 1 63 PHE QE 0.000 . 5.000 4.803 4.757 4.881 . 0 0 "[ . 1 . 2 .]" 1
146 1 11 ARG HA 1 14 ILE H 0.000 . 3.500 3.466 3.371 3.522 0.022 2 0 "[ . 1 . 2 .]" 1
147 1 12 GLU HA 1 14 ILE H 0.000 . 5.000 4.460 4.424 4.491 . 0 0 "[ . 1 . 2 .]" 1
148 1 12 GLU H 1 14 ILE H 0.000 . 5.000 4.081 4.053 4.119 . 0 0 "[ . 1 . 2 .]" 1
149 1 13 ARG HA 1 14 ILE H 0.000 . 3.500 3.544 3.534 3.554 0.054 19 0 "[ . 1 . 2 .]" 1
150 1 13 ARG QB 1 14 ILE H 0.000 . 2.700 2.562 2.525 2.603 . 0 0 "[ . 1 . 2 .]" 1
151 1 13 ARG HD3 1 14 ILE H 0.000 . 5.000 4.754 4.643 4.978 . 0 0 "[ . 1 . 2 .]" 1
152 1 13 ARG HG2 1 14 ILE H 0.000 . 5.000 5.042 5.001 5.151 0.151 15 0 "[ . 1 . 2 .]" 1
153 1 13 ARG H 1 14 ILE H 0.000 . 2.700 2.613 2.555 2.655 . 0 0 "[ . 1 . 2 .]" 1
154 1 14 ILE H 1 14 ILE HB 0.000 . 2.700 2.559 2.526 2.583 . 0 0 "[ . 1 . 2 .]" 1
155 1 14 ILE H 1 14 ILE MD 0.000 . 3.500 3.166 3.054 3.259 . 0 0 "[ . 1 . 2 .]" 1
156 1 14 ILE H 1 14 ILE HG13 0.000 . 3.500 2.032 1.999 2.087 . 0 0 "[ . 1 . 2 .]" 1
157 1 14 ILE H 1 14 ILE HG12 0.000 . 3.500 3.534 3.516 3.558 0.058 25 0 "[ . 1 . 2 .]" 1
158 1 14 ILE H 1 15 PHE HB3 0.000 . 5.000 4.838 4.804 4.881 . 0 0 "[ . 1 . 2 .]" 1
159 1 14 ILE H 1 16 LYS QB 0.000 . 5.000 4.679 4.577 4.751 . 0 0 "[ . 1 . 2 .]" 1
160 1 14 ILE H 1 16 LYS H 0.000 . 5.000 3.889 3.837 3.929 . 0 0 "[ . 1 . 2 .]" 1
161 1 14 ILE H 1 63 PHE QE 0.000 . 5.000 4.988 4.926 5.021 0.021 11 0 "[ . 1 . 2 .]" 1
162 1 11 ARG HA 1 15 PHE H 0.000 . 5.000 3.676 3.629 3.754 . 0 0 "[ . 1 . 2 .]" 1
163 1 12 GLU HA 1 15 PHE H 0.000 . 3.500 3.521 3.507 3.535 0.035 21 0 "[ . 1 . 2 .]" 1
164 1 12 GLU H 1 15 PHE H 0.000 . 5.000 4.567 4.533 4.621 . 0 0 "[ . 1 . 2 .]" 1
165 1 13 ARG H 1 15 PHE H 0.000 . 5.000 4.125 4.084 4.176 . 0 0 "[ . 1 . 2 .]" 1
166 1 14 ILE HA 1 15 PHE H 0.000 . 5.000 3.572 3.566 3.580 . 0 0 "[ . 1 . 2 .]" 1
167 1 14 ILE HB 1 15 PHE H 0.000 . 2.700 2.473 2.432 2.524 . 0 0 "[ . 1 . 2 .]" 1
168 1 14 ILE MD 1 15 PHE H 0.000 . 5.000 4.108 3.993 4.211 . 0 0 "[ . 1 . 2 .]" 1
169 1 14 ILE HG12 1 15 PHE H 0.000 . 5.000 4.990 4.969 5.015 0.015 22 0 "[ . 1 . 2 .]" 1
170 1 14 ILE MG 1 15 PHE H 0.000 . 3.500 3.500 3.462 3.517 0.017 15 0 "[ . 1 . 2 .]" 1
171 1 14 ILE H 1 15 PHE H 0.000 . 2.700 2.610 2.589 2.632 . 0 0 "[ . 1 . 2 .]" 1
172 1 15 PHE H 1 15 PHE HB3 0.000 . 3.500 2.558 2.536 2.575 . 0 0 "[ . 1 . 2 .]" 1
173 1 15 PHE H 1 15 PHE HB2 0.000 . 2.700 2.593 2.576 2.622 . 0 0 "[ . 1 . 2 .]" 1
174 1 15 PHE H 1 15 PHE QD 0.000 . 5.000 4.212 4.207 4.217 . 0 0 "[ . 1 . 2 .]" 1
175 1 15 PHE H 1 16 LYS QB 0.000 . 5.000 4.466 4.412 4.521 . 0 0 "[ . 1 . 2 .]" 1
176 1 15 PHE H 1 16 LYS H 0.000 . 2.700 2.602 2.547 2.638 . 0 0 "[ . 1 . 2 .]" 1
177 1 15 PHE H 1 17 ARG H 0.000 . 5.000 4.026 3.962 4.088 . 0 0 "[ . 1 . 2 .]" 1
178 1 15 PHE H 1 18 PHE QD 0.000 . 5.000 4.160 3.942 4.291 . 0 0 "[ . 1 . 2 .]" 1
179 1 15 PHE H 1 63 PHE QD 0.000 . 5.000 4.293 4.252 4.358 . 0 0 "[ . 1 . 2 .]" 1
180 1 15 PHE H 1 63 PHE QE 0.000 . 5.000 3.594 3.545 3.630 . 0 0 "[ . 1 . 2 .]" 1
181 1 13 ARG HA 1 16 LYS H 0.000 . 3.500 3.525 3.510 3.534 0.034 3 0 "[ . 1 . 2 .]" 1
182 1 15 PHE HA 1 16 LYS H 0.000 . 3.500 3.530 3.525 3.533 0.033 14 0 "[ . 1 . 2 .]" 1
183 1 15 PHE HB3 1 16 LYS H 0.000 . 2.700 2.715 2.706 2.725 0.025 19 0 "[ . 1 . 2 .]" 1
184 1 15 PHE HB2 1 16 LYS H 0.000 . 5.000 3.945 3.931 3.954 . 0 0 "[ . 1 . 2 .]" 1
185 1 15 PHE QD 1 16 LYS H 0.000 . 3.500 3.508 3.487 3.519 0.019 2 0 "[ . 1 . 2 .]" 1
186 1 16 LYS H 1 16 LYS QB 0.000 . 2.700 2.250 2.231 2.286 . 0 0 "[ . 1 . 2 .]" 1
187 1 16 LYS H 1 16 LYS QD 0.000 . 5.000 3.999 3.823 4.115 . 0 0 "[ . 1 . 2 .]" 1
188 1 16 LYS H 1 16 LYS QG 0.000 . 2.700 2.618 2.525 2.652 . 0 0 "[ . 1 . 2 .]" 1
189 1 16 LYS H 1 17 ARG QB 0.000 . 5.000 4.561 4.473 4.680 . 0 0 "[ . 1 . 2 .]" 1
190 1 16 LYS H 1 18 PHE QD 0.000 . 5.000 4.911 4.731 5.004 0.004 7 0 "[ . 1 . 2 .]" 1
191 1 17 ARG HA 1 17 ARG HE 0.000 . 5.000 4.948 4.441 5.031 0.031 24 0 "[ . 1 . 2 .]" 1
192 1 17 ARG QB 1 17 ARG HE 0.000 . 5.000 4.021 3.457 4.140 . 0 0 "[ . 1 . 2 .]" 1
193 1 17 ARG HE 1 17 ARG HG3 0.000 . 3.500 2.722 2.195 3.124 . 0 0 "[ . 1 . 2 .]" 1
194 1 17 ARG HE 1 17 ARG HG2 0.000 . 3.500 2.828 2.567 3.564 0.064 4 0 "[ . 1 . 2 .]" 1
195 1 13 ARG HA 1 17 ARG H 0.000 . 5.000 4.282 4.097 4.377 . 0 0 "[ . 1 . 2 .]" 1
196 1 14 ILE HA 1 17 ARG H 0.000 . 3.500 3.416 3.321 3.500 . 0 0 "[ . 1 . 2 .]" 1
197 1 14 ILE MG 1 17 ARG H 0.000 . 5.000 4.478 4.293 4.624 . 0 0 "[ . 1 . 2 .]" 1
198 1 15 PHE HA 1 17 ARG H 0.000 . 5.000 4.072 4.006 4.167 . 0 0 "[ . 1 . 2 .]" 1
199 1 16 LYS HA 1 17 ARG H 0.000 . 3.500 3.513 3.501 3.530 0.030 4 0 "[ . 1 . 2 .]" 1
200 1 16 LYS QB 1 17 ARG H 0.000 . 3.500 2.812 2.750 2.843 . 0 0 "[ . 1 . 2 .]" 1
201 1 16 LYS H 1 17 ARG H 0.000 . 3.500 2.592 2.558 2.631 . 0 0 "[ . 1 . 2 .]" 1
202 1 17 ARG H 1 17 ARG QB 0.000 . 2.700 2.327 2.272 2.389 . 0 0 "[ . 1 . 2 .]" 1
203 1 17 ARG H 1 17 ARG HD2 0.000 . 5.000 4.459 4.126 4.975 . 0 0 "[ . 1 . 2 .]" 1
204 1 17 ARG H 1 17 ARG HG3 0.000 . 3.500 2.651 2.393 3.491 . 0 0 "[ . 1 . 2 .]" 1
205 1 17 ARG H 1 17 ARG HG2 0.000 . 3.500 3.374 2.478 3.529 0.029 22 0 "[ . 1 . 2 .]" 1
206 1 17 ARG H 1 18 PHE HB2 0.000 . 5.000 4.560 4.453 4.656 . 0 0 "[ . 1 . 2 .]" 1
207 1 17 ARG H 1 18 PHE QD 0.000 . 5.000 4.246 4.047 4.391 . 0 0 "[ . 1 . 2 .]" 1
208 1 14 ILE HA 1 18 PHE H 0.000 . 5.000 4.558 4.492 4.603 . 0 0 "[ . 1 . 2 .]" 1
209 1 14 ILE MG 1 18 PHE H 0.000 . 5.000 4.352 4.194 4.448 . 0 0 "[ . 1 . 2 .]" 1
210 1 15 PHE HA 1 18 PHE H 0.000 . 3.500 3.279 3.226 3.331 . 0 0 "[ . 1 . 2 .]" 1
211 1 16 LYS HA 1 18 PHE H 0.000 . 5.000 4.272 4.097 4.357 . 0 0 "[ . 1 . 2 .]" 1
212 1 16 LYS H 1 18 PHE H 0.000 . 5.000 4.133 3.955 4.206 . 0 0 "[ . 1 . 2 .]" 1
213 1 17 ARG HA 1 18 PHE H 0.000 . 3.500 3.530 3.479 3.541 0.041 18 0 "[ . 1 . 2 .]" 1
214 1 17 ARG QB 1 18 PHE H 0.000 . 3.500 2.698 2.597 3.573 0.073 4 0 "[ . 1 . 2 .]" 1
215 1 17 ARG HG3 1 18 PHE H 0.000 . 5.000 4.438 2.038 4.943 . 0 0 "[ . 1 . 2 .]" 1
216 1 17 ARG HG2 1 18 PHE H 0.000 . 5.000 4.837 3.554 4.983 . 0 0 "[ . 1 . 2 .]" 1
217 1 17 ARG H 1 18 PHE H 0.000 . 2.700 2.533 2.461 2.572 . 0 0 "[ . 1 . 2 .]" 1
218 1 18 PHE H 1 18 PHE HB2 0.000 . 2.700 2.304 2.247 2.372 . 0 0 "[ . 1 . 2 .]" 1
219 1 18 PHE H 1 18 PHE QD 0.000 . 3.500 2.715 2.461 2.976 . 0 0 "[ . 1 . 2 .]" 1
220 1 18 PHE H 1 26 ILE MD 0.000 . 5.000 3.649 3.536 3.748 . 0 0 "[ . 1 . 2 .]" 1
221 1 18 PHE H 1 26 ILE MG 0.000 . 5.000 4.889 4.766 5.016 0.016 4 0 "[ . 1 . 2 .]" 1
222 1 18 PHE H 1 34 ALA MB 0.000 . 5.000 4.421 4.284 4.661 . 0 0 "[ . 1 . 2 .]" 1
223 1 15 PHE HA 1 19 ASP H 0.000 . 5.000 4.171 4.100 4.269 . 0 0 "[ . 1 . 2 .]" 1
224 1 15 PHE QD 1 19 ASP H 0.000 . 5.000 4.400 4.235 4.503 . 0 0 "[ . 1 . 2 .]" 1
225 1 16 LYS HA 1 19 ASP H 0.000 . 3.500 3.515 3.507 3.523 0.023 7 0 "[ . 1 . 2 .]" 1
226 1 16 LYS H 1 19 ASP H 0.000 . 5.000 4.926 4.875 4.976 . 0 0 "[ . 1 . 2 .]" 1
227 1 17 ARG HA 1 19 ASP H 0.000 . 5.000 4.699 4.475 4.818 . 0 0 "[ . 1 . 2 .]" 1
228 1 17 ARG H 1 19 ASP H 0.000 . 5.000 4.251 4.166 4.325 . 0 0 "[ . 1 . 2 .]" 1
229 1 18 PHE HA 1 19 ASP H 0.000 . 3.500 3.567 3.551 3.573 0.073 16 0 "[ . 1 . 2 .]" 1
230 1 18 PHE HB2 1 19 ASP H 0.000 . 3.500 2.548 2.470 2.689 . 0 0 "[ . 1 . 2 .]" 1
231 1 18 PHE HB3 1 19 ASP H 0.000 . 3.500 3.289 3.228 3.355 . 0 0 "[ . 1 . 2 .]" 1
232 1 18 PHE QD 1 19 ASP H 0.000 . 5.000 4.301 4.181 4.439 . 0 0 "[ . 1 . 2 .]" 1
233 1 18 PHE H 1 19 ASP H 0.000 . 2.700 2.675 2.546 2.714 0.014 2 0 "[ . 1 . 2 .]" 1
234 1 19 ASP H 1 19 ASP HB2 0.000 . 2.700 2.298 2.270 2.335 . 0 0 "[ . 1 . 2 .]" 1
235 1 19 ASP H 1 19 ASP HB3 0.000 . 3.500 2.874 2.838 2.916 . 0 0 "[ . 1 . 2 .]" 1
236 1 19 ASP H 1 20 ALA H 0.000 . 5.000 4.358 4.352 4.363 . 0 0 "[ . 1 . 2 .]" 1
237 1 19 ASP H 1 26 ILE MD 0.000 . 3.500 2.553 2.314 2.848 . 0 0 "[ . 1 . 2 .]" 1
238 1 19 ASP H 1 26 ILE HG12 0.000 . 5.000 3.404 3.287 3.592 . 0 0 "[ . 1 . 2 .]" 1
239 1 19 ASP H 1 26 ILE MG 0.000 . 5.000 3.740 3.568 4.017 . 0 0 "[ . 1 . 2 .]" 1
240 1 18 PHE HA 1 20 ALA H 0.000 . 5.000 5.021 5.015 5.026 0.026 3 0 "[ . 1 . 2 .]" 1
241 1 19 ASP HA 1 20 ALA H 0.000 . 2.700 2.236 2.224 2.246 . 0 0 "[ . 1 . 2 .]" 1
242 1 19 ASP HB2 1 20 ALA H 0.000 . 5.000 4.629 4.623 4.640 . 0 0 "[ . 1 . 2 .]" 1
243 1 19 ASP HB3 1 20 ALA H 0.000 . 5.000 4.293 4.274 4.304 . 0 0 "[ . 1 . 2 .]" 1
244 1 20 ALA H 1 20 ALA MB 0.000 . 2.700 2.181 2.036 2.242 . 0 0 "[ . 1 . 2 .]" 1
245 1 20 ALA H 1 26 ILE HG12 0.000 . 5.000 4.485 4.327 4.619 . 0 0 "[ . 1 . 2 .]" 1
246 1 20 ALA H 1 26 ILE MG 0.000 . 5.000 3.352 3.144 3.543 . 0 0 "[ . 1 . 2 .]" 1
247 1 20 ALA H 1 30 GLU HA 0.000 . 5.000 4.240 4.161 4.345 . 0 0 "[ . 1 . 2 .]" 1
248 1 20 ALA H 1 30 GLU HB3 0.000 . 5.000 2.476 2.371 2.611 . 0 0 "[ . 1 . 2 .]" 1
249 1 20 ALA H 1 30 GLU HB2 0.000 . 5.000 3.925 3.836 4.042 . 0 0 "[ . 1 . 2 .]" 1
250 1 20 ALA H 1 30 GLU HG3 0.000 . 5.000 4.290 4.192 4.403 . 0 0 "[ . 1 . 2 .]" 1
251 1 20 ALA H 1 30 GLU HG2 0.000 . 3.500 3.065 2.966 3.193 . 0 0 "[ . 1 . 2 .]" 1
252 1 21 ASN HB2 1 21 ASN HD21 0.000 . 3.500 2.335 2.311 2.360 . 0 0 "[ . 1 . 2 .]" 1
253 1 21 ASN HB3 1 21 ASN HD21 0.000 . 3.500 2.949 2.917 2.987 . 0 0 "[ . 1 . 2 .]" 1
254 1 21 ASN H 1 21 ASN HD21 0.000 . 5.000 4.624 4.585 4.673 . 0 0 "[ . 1 . 2 .]" 1
255 1 21 ASN HD21 1 23 ASP HB2 0.000 . 5.000 4.337 4.235 4.423 . 0 0 "[ . 1 . 2 .]" 1
256 1 21 ASN HD21 1 23 ASP HB3 0.000 . 5.000 2.730 2.662 2.795 . 0 0 "[ . 1 . 2 .]" 1
257 1 21 ASN HB2 1 21 ASN HD22 0.000 . 3.500 3.530 3.521 3.540 0.040 18 0 "[ . 1 . 2 .]" 1
258 1 21 ASN H 1 21 ASN HD22 0.000 . 5.000 4.489 4.431 4.569 . 0 0 "[ . 1 . 2 .]" 1
259 1 21 ASN HD22 1 23 ASP HA 0.000 . 5.000 4.173 4.120 4.220 . 0 0 "[ . 1 . 2 .]" 1
260 1 21 ASN HD22 1 23 ASP HB2 0.000 . 5.000 3.204 3.165 3.231 . 0 0 "[ . 1 . 2 .]" 1
261 1 21 ASN HD22 1 23 ASP HB3 0.000 . 3.500 1.863 1.857 1.868 . 0 0 "[ . 1 . 2 .]" 1
262 1 19 ASP HA 1 21 ASN H 0.000 . 5.000 4.148 4.118 4.177 . 0 0 "[ . 1 . 2 .]" 1
263 1 20 ALA HA 1 21 ASN H 0.000 . 5.000 3.610 3.606 3.613 . 0 0 "[ . 1 . 2 .]" 1
264 1 20 ALA MB 1 21 ASN H 0.000 . 2.700 2.362 2.294 2.486 . 0 0 "[ . 1 . 2 .]" 1
265 1 20 ALA H 1 21 ASN H 0.000 . 3.500 2.844 2.789 2.891 . 0 0 "[ . 1 . 2 .]" 1
266 1 21 ASN H 1 21 ASN HB3 0.000 . 3.500 2.724 2.668 2.768 . 0 0 "[ . 1 . 2 .]" 1
267 1 21 ASN H 1 22 GLY QA 0.000 . 5.000 4.295 4.273 4.309 . 0 0 "[ . 1 . 2 .]" 1
268 1 21 ASN H 1 22 GLY H 0.000 . 2.700 2.317 2.288 2.345 . 0 0 "[ . 1 . 2 .]" 1
269 1 21 ASN H 1 30 GLU HB3 0.000 . 5.000 4.900 4.745 5.001 0.001 18 0 "[ . 1 . 2 .]" 1
270 1 21 ASN H 1 30 GLU HG2 0.000 . 5.000 4.017 3.966 4.106 . 0 0 "[ . 1 . 2 .]" 1
271 1 19 ASP HA 1 22 GLY H 0.000 . 5.000 3.895 3.838 3.943 . 0 0 "[ . 1 . 2 .]" 1
272 1 19 ASP HB2 1 22 GLY H 0.000 . 5.000 4.509 4.400 4.601 . 0 0 "[ . 1 . 2 .]" 1
273 1 19 ASP HB3 1 22 GLY H 0.000 . 5.000 3.472 3.310 3.596 . 0 0 "[ . 1 . 2 .]" 1
274 1 20 ALA HA 1 22 GLY H 0.000 . 5.000 4.608 4.457 4.714 . 0 0 "[ . 1 . 2 .]" 1
275 1 20 ALA MB 1 22 GLY H 0.000 . 5.000 4.210 4.127 4.273 . 0 0 "[ . 1 . 2 .]" 1
276 1 20 ALA H 1 22 GLY H 0.000 . 5.000 3.828 3.752 3.893 . 0 0 "[ . 1 . 2 .]" 1
277 1 21 ASN HA 1 22 GLY H 0.000 . 3.500 3.483 3.448 3.505 0.005 2 0 "[ . 1 . 2 .]" 1
278 1 21 ASN HB2 1 22 GLY H 0.000 . 5.000 4.014 3.944 4.111 . 0 0 "[ . 1 . 2 .]" 1
279 1 21 ASN HB3 1 22 GLY H 0.000 . 5.000 4.051 3.997 4.128 . 0 0 "[ . 1 . 2 .]" 1
280 1 22 GLY H 1 22 GLY QA 0.000 . 2.700 2.298 2.279 2.312 . 0 0 "[ . 1 . 2 .]" 1
281 1 22 GLY H 1 23 ASP HB3 0.000 . 5.000 4.706 4.631 4.781 . 0 0 "[ . 1 . 2 .]" 1
282 1 19 ASP HA 1 23 ASP H 0.000 . 5.000 4.949 4.858 5.013 0.013 23 0 "[ . 1 . 2 .]" 1
283 1 21 ASN HB2 1 23 ASP H 0.000 . 5.000 4.539 4.362 4.733 . 0 0 "[ . 1 . 2 .]" 1
284 1 21 ASN HD22 1 23 ASP H 0.000 . 5.000 3.202 3.065 3.357 . 0 0 "[ . 1 . 2 .]" 1
285 1 21 ASN H 1 23 ASP H 0.000 . 5.000 4.060 3.980 4.158 . 0 0 "[ . 1 . 2 .]" 1
286 1 22 GLY QA 1 23 ASP H 0.000 . 3.500 2.759 2.713 2.800 . 0 0 "[ . 1 . 2 .]" 1
287 1 22 GLY H 1 23 ASP H 0.000 . 3.500 2.370 2.288 2.509 . 0 0 "[ . 1 . 2 .]" 1
288 1 23 ASP H 1 23 ASP HB3 0.000 . 3.500 2.864 2.793 2.933 . 0 0 "[ . 1 . 2 .]" 1
289 1 23 ASP H 1 24 GLY HA2 0.000 . 5.000 5.071 5.001 5.141 0.141 18 0 "[ . 1 . 2 .]" 1
290 1 23 ASP H 1 24 GLY H 0.000 . 2.700 2.430 2.362 2.508 . 0 0 "[ . 1 . 2 .]" 1
291 1 23 ASP H 1 25 LYS H 0.000 . 3.500 3.325 3.279 3.363 . 0 0 "[ . 1 . 2 .]" 1
292 1 15 PHE QE 1 24 GLY H 0.000 . 5.000 4.212 3.924 4.438 . 0 0 "[ . 1 . 2 .]" 1
293 1 22 GLY QA 1 24 GLY H 0.000 . 3.500 2.963 2.906 3.015 . 0 0 "[ . 1 . 2 .]" 1
294 1 22 GLY H 1 24 GLY H 0.000 . 5.000 4.084 4.004 4.213 . 0 0 "[ . 1 . 2 .]" 1
295 1 23 ASP HA 1 24 GLY H 0.000 . 3.500 3.229 3.209 3.249 . 0 0 "[ . 1 . 2 .]" 1
296 1 24 GLY H 1 24 GLY HA2 0.000 . 2.700 2.959 2.954 2.965 0.265 12 0 "[ . 1 . 2 .]" 1
297 1 15 PHE QE 1 25 LYS H 0.000 . 5.000 4.725 4.588 4.816 . 0 0 "[ . 1 . 2 .]" 1
298 1 15 PHE HZ 1 25 LYS H 0.000 . 5.000 4.655 4.366 4.879 . 0 0 "[ . 1 . 2 .]" 1
299 1 19 ASP HB2 1 25 LYS H 0.000 . 5.000 5.087 5.073 5.100 0.100 1 0 "[ . 1 . 2 .]" 1
300 1 21 ASN HD22 1 25 LYS H 0.000 . 5.000 4.949 4.893 4.988 . 0 0 "[ . 1 . 2 .]" 1
301 1 23 ASP HA 1 25 LYS H 0.000 . 5.000 4.433 4.411 4.463 . 0 0 "[ . 1 . 2 .]" 1
302 1 23 ASP HB2 1 25 LYS H 0.000 . 5.000 4.060 4.014 4.102 . 0 0 "[ . 1 . 2 .]" 1
303 1 23 ASP HB3 1 25 LYS H 0.000 . 5.000 4.568 4.553 4.580 . 0 0 "[ . 1 . 2 .]" 1
304 1 24 GLY HA3 1 25 LYS H 0.000 . 3.500 3.380 3.353 3.410 . 0 0 "[ . 1 . 2 .]" 1
305 1 24 GLY HA2 1 25 LYS H 0.000 . 3.500 3.241 3.207 3.279 . 0 0 "[ . 1 . 2 .]" 1
306 1 24 GLY H 1 25 LYS H 0.000 . 2.700 2.547 2.504 2.599 . 0 0 "[ . 1 . 2 .]" 1
307 1 25 LYS H 1 25 LYS QB 0.000 . 3.500 2.964 2.882 3.042 . 0 0 "[ . 1 . 2 .]" 1
308 1 25 LYS H 1 25 LYS QD 0.000 . 5.000 4.253 4.195 4.424 . 0 0 "[ . 1 . 2 .]" 1
309 1 25 LYS H 1 25 LYS QE 0.000 . 5.000 4.639 4.448 4.806 . 0 0 "[ . 1 . 2 .]" 1
310 1 25 LYS H 1 25 LYS HG2 0.000 . 3.500 2.399 2.341 2.576 . 0 0 "[ . 1 . 2 .]" 1
311 1 25 LYS H 1 25 LYS HG3 0.000 . 3.500 3.015 2.762 3.243 . 0 0 "[ . 1 . 2 .]" 1
312 1 25 LYS H 1 26 ILE HA 0.000 . 5.000 4.826 4.813 4.841 . 0 0 "[ . 1 . 2 .]" 1
313 1 25 LYS H 1 26 ILE HG13 0.000 . 5.000 5.003 4.926 5.013 0.013 10 0 "[ . 1 . 2 .]" 1
314 1 25 LYS H 1 26 ILE HG12 0.000 . 5.000 4.875 4.779 4.963 . 0 0 "[ . 1 . 2 .]" 1
315 1 25 LYS H 1 62 SER HA 0.000 . 5.000 4.960 4.878 5.016 0.016 15 0 "[ . 1 . 2 .]" 1
316 1 15 PHE QE 1 26 ILE H 0.000 . 5.000 4.222 4.102 4.340 . 0 0 "[ . 1 . 2 .]" 1
317 1 15 PHE HZ 1 26 ILE H 0.000 . 3.500 3.548 3.536 3.565 0.065 24 0 "[ . 1 . 2 .]" 1
318 1 25 LYS HA 1 26 ILE H 0.000 . 2.700 2.229 2.222 2.239 . 0 0 "[ . 1 . 2 .]" 1
319 1 25 LYS QB 1 26 ILE H 0.000 . 3.500 2.956 2.895 3.019 . 0 0 "[ . 1 . 2 .]" 1
320 1 25 LYS QD 1 26 ILE H 0.000 . 5.000 4.649 4.454 4.736 . 0 0 "[ . 1 . 2 .]" 1
321 1 25 LYS HG3 1 26 ILE H 0.000 . 5.000 3.872 3.754 4.008 . 0 0 "[ . 1 . 2 .]" 1
322 1 25 LYS H 1 26 ILE H 0.000 . 5.000 4.426 4.420 4.432 . 0 0 "[ . 1 . 2 .]" 1
323 1 26 ILE H 1 26 ILE HB 0.000 . 3.500 2.783 2.732 2.846 . 0 0 "[ . 1 . 2 .]" 1
324 1 26 ILE H 1 26 ILE MD 0.000 . 5.000 3.841 3.773 3.917 . 0 0 "[ . 1 . 2 .]" 1
325 1 26 ILE H 1 26 ILE HG13 0.000 . 2.700 2.287 2.195 2.393 . 0 0 "[ . 1 . 2 .]" 1
326 1 26 ILE H 1 26 ILE HG12 0.000 . 3.500 3.346 3.276 3.448 . 0 0 "[ . 1 . 2 .]" 1
327 1 26 ILE H 1 27 SER H 0.000 . 5.000 4.453 4.440 4.466 . 0 0 "[ . 1 . 2 .]" 1
328 1 26 ILE H 1 60 PHE HB2 0.000 . 5.000 3.935 3.901 4.010 . 0 0 "[ . 1 . 2 .]" 1
329 1 26 ILE H 1 60 PHE HB3 0.000 . 5.000 2.570 2.551 2.609 . 0 0 "[ . 1 . 2 .]" 1
330 1 26 ILE H 1 60 PHE QD 0.000 . 5.000 4.080 3.986 4.167 . 0 0 "[ . 1 . 2 .]" 1
331 1 26 ILE H 1 61 ILE HB 0.000 . 3.500 3.511 3.481 3.529 0.029 14 0 "[ . 1 . 2 .]" 1
332 1 26 ILE H 1 61 ILE MD 0.000 . 5.000 5.006 4.963 5.019 0.019 4 0 "[ . 1 . 2 .]" 1
333 1 26 ILE H 1 61 ILE MG 0.000 . 5.000 4.620 4.574 4.666 . 0 0 "[ . 1 . 2 .]" 1
334 1 26 ILE H 1 61 ILE H 0.000 . 3.500 2.208 2.139 2.275 . 0 0 "[ . 1 . 2 .]" 1
335 1 26 ILE H 1 62 SER HA 0.000 . 5.000 3.893 3.811 4.028 . 0 0 "[ . 1 . 2 .]" 1
336 1 19 ASP HA 1 27 SER H 0.000 . 5.000 4.911 4.832 5.000 . 0 0 "[ . 1 . 2 .]" 1
337 1 26 ILE HA 1 27 SER H 0.000 . 2.700 2.201 2.188 2.210 . 0 0 "[ . 1 . 2 .]" 1
338 1 26 ILE HB 1 27 SER H 0.000 . 5.000 3.939 3.884 3.985 . 0 0 "[ . 1 . 2 .]" 1
339 1 26 ILE MD 1 27 SER H 0.000 . 5.000 5.034 5.000 5.069 0.069 3 0 "[ . 1 . 2 .]" 1
340 1 26 ILE HG12 1 27 SER H 0.000 . 5.000 4.705 4.639 4.767 . 0 0 "[ . 1 . 2 .]" 1
341 1 26 ILE MG 1 27 SER H 0.000 . 3.500 2.576 2.480 2.650 . 0 0 "[ . 1 . 2 .]" 1
342 1 27 SER H 1 27 SER HB3 0.000 . 3.500 2.665 2.609 2.726 . 0 0 "[ . 1 . 2 .]" 1
343 1 27 SER H 1 27 SER HG 0.000 . 5.000 3.207 2.338 3.883 . 0 0 "[ . 1 . 2 .]" 1
344 1 27 SER H 1 28 ALA H 0.000 . 5.000 4.552 4.540 4.561 . 0 0 "[ . 1 . 2 .]" 1
345 1 27 SER H 1 29 ALA MB 0.000 . 5.000 4.792 4.732 4.872 . 0 0 "[ . 1 . 2 .]" 1
346 1 27 SER H 1 29 ALA H 0.000 . 5.000 4.926 4.904 4.962 . 0 0 "[ . 1 . 2 .]" 1
347 1 27 SER H 1 30 GLU HA 0.000 . 5.000 4.696 4.674 4.769 . 0 0 "[ . 1 . 2 .]" 1
348 1 27 SER H 1 30 GLU HB3 0.000 . 3.500 3.386 3.357 3.475 . 0 0 "[ . 1 . 2 .]" 1
349 1 27 SER H 1 30 GLU HB2 0.000 . 3.500 1.872 1.854 1.953 . 0 0 "[ . 1 . 2 .]" 1
350 1 27 SER H 1 30 GLU HG3 0.000 . 5.000 2.836 2.777 2.901 . 0 0 "[ . 1 . 2 .]" 1
351 1 27 SER H 1 30 GLU HG2 0.000 . 5.000 4.027 3.991 4.090 . 0 0 "[ . 1 . 2 .]" 1
352 1 27 SER H 1 30 GLU H 0.000 . 3.500 3.125 3.107 3.154 . 0 0 "[ . 1 . 2 .]" 1
353 1 27 SER H 1 31 LEU H 0.000 . 5.000 3.455 3.400 3.494 . 0 0 "[ . 1 . 2 .]" 1
354 1 27 SER H 1 60 PHE QD 0.000 . 5.000 3.232 3.154 3.324 . 0 0 "[ . 1 . 2 .]" 1
355 1 27 SER H 1 60 PHE QE 0.000 . 5.000 4.427 4.336 4.516 . 0 0 "[ . 1 . 2 .]" 1
356 1 27 SER H 1 61 ILE H 0.000 . 5.000 5.008 4.962 5.040 0.040 7 0 "[ . 1 . 2 .]" 1
357 1 27 SER HA 1 28 ALA H 0.000 . 2.700 2.486 2.471 2.510 . 0 0 "[ . 1 . 2 .]" 1
358 1 27 SER HB2 1 28 ALA H 0.000 . 2.700 2.611 2.511 2.673 . 0 0 "[ . 1 . 2 .]" 1
359 1 27 SER HB3 1 28 ALA H 0.000 . 5.000 3.977 3.913 4.014 . 0 0 "[ . 1 . 2 .]" 1
360 1 27 SER HG 1 28 ALA H 0.000 . 5.000 3.981 2.970 4.367 . 0 0 "[ . 1 . 2 .]" 1
361 1 28 ALA H 1 28 ALA MB 0.000 . 2.700 2.159 2.064 2.265 . 0 0 "[ . 1 . 2 .]" 1
362 1 28 ALA H 1 29 ALA H 0.000 . 3.500 2.873 2.861 2.885 . 0 0 "[ . 1 . 2 .]" 1
363 1 28 ALA H 1 30 GLU H 0.000 . 5.000 4.211 4.156 4.243 . 0 0 "[ . 1 . 2 .]" 1
364 1 28 ALA H 1 31 LEU H 0.000 . 5.000 4.691 4.640 4.724 . 0 0 "[ . 1 . 2 .]" 1
365 1 28 ALA H 1 46 VAL MG1 0.000 . 5.000 4.920 4.555 5.030 0.030 16 0 "[ . 1 . 2 .]" 1
366 1 28 ALA H 1 50 MET ME 0.000 . 3.500 3.044 2.668 3.266 . 0 0 "[ . 1 . 2 .]" 1
367 1 28 ALA H 1 50 MET HG3 0.000 . 5.000 4.967 4.864 5.017 0.017 18 0 "[ . 1 . 2 .]" 1
368 1 28 ALA H 1 60 PHE HA 0.000 . 5.000 4.843 4.779 4.972 . 0 0 "[ . 1 . 2 .]" 1
369 1 28 ALA H 1 60 PHE QD 0.000 . 5.000 4.512 4.370 4.709 . 0 0 "[ . 1 . 2 .]" 1
370 1 28 ALA H 1 60 PHE QE 0.000 . 5.000 4.673 4.518 4.778 . 0 0 "[ . 1 . 2 .]" 1
371 1 27 SER HB2 1 29 ALA H 0.000 . 3.500 3.510 3.502 3.518 0.018 7 0 "[ . 1 . 2 .]" 1
372 1 27 SER HB3 1 29 ALA H 0.000 . 5.000 4.544 4.496 4.612 . 0 0 "[ . 1 . 2 .]" 1
373 1 27 SER HG 1 29 ALA H 0.000 . 5.000 3.048 1.924 3.633 . 0 0 "[ . 1 . 2 .]" 1
374 1 28 ALA HA 1 29 ALA H 0.000 . 3.500 3.559 3.554 3.565 0.065 7 0 "[ . 1 . 2 .]" 1
375 1 28 ALA MB 1 29 ALA H 0.000 . 2.700 2.482 2.376 2.581 . 0 0 "[ . 1 . 2 .]" 1
376 1 29 ALA H 1 29 ALA MB 0.000 . 2.700 2.150 2.046 2.246 . 0 0 "[ . 1 . 2 .]" 1
377 1 29 ALA H 1 30 GLU H 0.000 . 3.500 2.764 2.739 2.787 . 0 0 "[ . 1 . 2 .]" 1
378 1 29 ALA H 1 46 VAL MG1 0.000 . 5.000 4.970 4.651 5.036 0.036 3 0 "[ . 1 . 2 .]" 1
379 1 26 ILE HA 1 30 GLU H 0.000 . 5.000 5.045 5.035 5.059 0.059 11 0 "[ . 1 . 2 .]" 1
380 1 26 ILE MG 1 30 GLU H 0.000 . 5.000 3.741 3.691 3.797 . 0 0 "[ . 1 . 2 .]" 1
381 1 27 SER HA 1 30 GLU H 0.000 . 5.000 4.455 4.432 4.484 . 0 0 "[ . 1 . 2 .]" 1
382 1 27 SER HB2 1 30 GLU H 0.000 . 5.000 4.187 4.168 4.218 . 0 0 "[ . 1 . 2 .]" 1
383 1 27 SER HB3 1 30 GLU H 0.000 . 5.000 4.113 4.031 4.211 . 0 0 "[ . 1 . 2 .]" 1
384 1 27 SER HG 1 30 GLU H 0.000 . 3.500 2.695 1.943 3.091 . 0 0 "[ . 1 . 2 .]" 1
385 1 28 ALA HA 1 30 GLU H 0.000 . 5.000 4.295 4.215 4.342 . 0 0 "[ . 1 . 2 .]" 1
386 1 29 ALA HA 1 30 GLU H 0.000 . 3.500 3.549 3.541 3.556 0.056 21 0 "[ . 1 . 2 .]" 1
387 1 29 ALA MB 1 30 GLU H 0.000 . 2.700 2.606 2.530 2.704 0.004 9 0 "[ . 1 . 2 .]" 1
388 1 30 GLU H 1 30 GLU HB2 0.000 . 2.700 2.451 2.438 2.470 . 0 0 "[ . 1 . 2 .]" 1
389 1 30 GLU H 1 30 GLU HG3 0.000 . 2.700 2.324 2.301 2.345 . 0 0 "[ . 1 . 2 .]" 1
390 1 30 GLU H 1 30 GLU HG2 0.000 . 3.500 3.510 3.469 3.523 0.023 5 0 "[ . 1 . 2 .]" 1
391 1 30 GLU H 1 31 LEU HB3 0.000 . 5.000 4.826 4.663 5.007 0.007 5 0 "[ . 1 . 2 .]" 1
392 1 26 ILE HA 1 31 LEU H 0.000 . 5.000 4.603 4.559 4.656 . 0 0 "[ . 1 . 2 .]" 1
393 1 26 ILE MD 1 31 LEU H 0.000 . 5.000 4.740 4.646 4.813 . 0 0 "[ . 1 . 2 .]" 1
394 1 26 ILE MG 1 31 LEU H 0.000 . 3.500 2.162 2.072 2.228 . 0 0 "[ . 1 . 2 .]" 1
395 1 28 ALA HA 1 31 LEU H 0.000 . 3.500 3.554 3.538 3.566 0.066 19 0 "[ . 1 . 2 .]" 1
396 1 28 ALA MB 1 31 LEU H 0.000 . 5.000 4.776 4.758 4.792 . 0 0 "[ . 1 . 2 .]" 1
397 1 29 ALA HA 1 31 LEU H 0.000 . 5.000 5.033 5.018 5.053 0.053 3 0 "[ . 1 . 2 .]" 1
398 1 29 ALA MB 1 31 LEU H 0.000 . 5.000 4.772 4.747 4.801 . 0 0 "[ . 1 . 2 .]" 1
399 1 29 ALA H 1 31 LEU H 0.000 . 5.000 4.476 4.443 4.507 . 0 0 "[ . 1 . 2 .]" 1
400 1 30 GLU HA 1 31 LEU H 0.000 . 3.500 3.581 3.577 3.583 0.083 3 0 "[ . 1 . 2 .]" 1
401 1 30 GLU HB3 1 31 LEU H 0.000 . 5.000 3.361 3.337 3.398 . 0 0 "[ . 1 . 2 .]" 1
402 1 30 GLU HB2 1 31 LEU H 0.000 . 3.500 2.331 2.302 2.353 . 0 0 "[ . 1 . 2 .]" 1
403 1 30 GLU HG3 1 31 LEU H 0.000 . 5.000 4.217 4.159 4.240 . 0 0 "[ . 1 . 2 .]" 1
404 1 30 GLU HG2 1 31 LEU H 0.000 . 5.000 4.853 4.822 4.863 . 0 0 "[ . 1 . 2 .]" 1
405 1 30 GLU H 1 31 LEU H 0.000 . 3.500 2.662 2.608 2.683 . 0 0 "[ . 1 . 2 .]" 1
406 1 31 LEU H 1 31 LEU HB3 0.000 . 2.700 2.594 2.411 2.769 0.069 23 0 "[ . 1 . 2 .]" 1
407 1 31 LEU H 1 31 LEU HB2 0.000 . 2.700 2.512 2.288 2.706 0.006 10 0 "[ . 1 . 2 .]" 1
408 1 31 LEU H 1 31 LEU QD 0.000 . 5.000 3.716 3.688 3.750 . 0 0 "[ . 1 . 2 .]" 1
409 1 31 LEU H 1 31 LEU HG 0.000 . 5.000 4.352 4.256 4.437 . 0 0 "[ . 1 . 2 .]" 1
410 1 31 LEU H 1 32 GLY HA2 0.000 . 5.000 5.014 4.963 5.054 0.054 25 0 "[ . 1 . 2 .]" 1
411 1 31 LEU H 1 33 GLU H 0.000 . 5.000 4.173 4.129 4.222 . 0 0 "[ . 1 . 2 .]" 1
412 1 31 LEU H 1 46 VAL MG1 0.000 . 5.000 4.249 3.985 4.410 . 0 0 "[ . 1 . 2 .]" 1
413 1 31 LEU H 1 50 MET ME 0.000 . 5.000 4.891 4.720 5.004 0.004 25 0 "[ . 1 . 2 .]" 1
414 1 28 ALA HA 1 32 GLY H 0.000 . 5.000 3.089 2.981 3.167 . 0 0 "[ . 1 . 2 .]" 1
415 1 29 ALA HA 1 32 GLY H 0.000 . 5.000 3.920 3.852 3.995 . 0 0 "[ . 1 . 2 .]" 1
416 1 29 ALA MB 1 32 GLY H 0.000 . 5.000 4.846 4.781 4.903 . 0 0 "[ . 1 . 2 .]" 1
417 1 30 GLU HA 1 32 GLY H 0.000 . 5.000 4.576 4.466 4.672 . 0 0 "[ . 1 . 2 .]" 1
418 1 30 GLU HB2 1 32 GLY H 0.000 . 5.000 4.820 4.739 4.884 . 0 0 "[ . 1 . 2 .]" 1
419 1 30 GLU H 1 32 GLY H 0.000 . 5.000 3.889 3.792 3.984 . 0 0 "[ . 1 . 2 .]" 1
420 1 31 LEU HA 1 32 GLY H 0.000 . 5.000 3.553 3.536 3.560 . 0 0 "[ . 1 . 2 .]" 1
421 1 31 LEU HB3 1 32 GLY H 0.000 . 2.700 2.511 2.352 2.631 . 0 0 "[ . 1 . 2 .]" 1
422 1 31 LEU HB2 1 32 GLY H 0.000 . 5.000 3.787 3.568 3.942 . 0 0 "[ . 1 . 2 .]" 1
423 1 31 LEU QD 1 32 GLY H 0.000 . 5.000 3.432 2.935 3.880 . 0 0 "[ . 1 . 2 .]" 1
424 1 31 LEU HG 1 32 GLY H 0.000 . 5.000 4.089 3.388 4.913 . 0 0 "[ . 1 . 2 .]" 1
425 1 31 LEU H 1 32 GLY H 0.000 . 3.500 2.704 2.632 2.773 . 0 0 "[ . 1 . 2 .]" 1
426 1 32 GLY H 1 32 GLY HA2 0.000 . 2.700 2.344 2.339 2.348 . 0 0 "[ . 1 . 2 .]" 1
427 1 32 GLY H 1 33 GLU HB2 0.000 . 5.000 4.569 4.508 4.658 . 0 0 "[ . 1 . 2 .]" 1
428 1 32 GLY H 1 33 GLU H 0.000 . 3.500 2.705 2.678 2.733 . 0 0 "[ . 1 . 2 .]" 1
429 1 32 GLY H 1 34 ALA MB 0.000 . 5.000 4.968 4.914 5.017 0.017 17 0 "[ . 1 . 2 .]" 1
430 1 32 GLY H 1 34 ALA H 0.000 . 5.000 4.206 4.131 4.267 . 0 0 "[ . 1 . 2 .]" 1
431 1 32 GLY H 1 35 LEU H 0.000 . 5.000 4.539 4.417 4.661 . 0 0 "[ . 1 . 2 .]" 1
432 1 32 GLY H 1 46 VAL MG2 0.000 . 5.000 3.994 3.611 4.170 . 0 0 "[ . 1 . 2 .]" 1
433 1 32 GLY H 1 46 VAL MG1 0.000 . 3.500 2.453 2.235 2.575 . 0 0 "[ . 1 . 2 .]" 1
434 1 29 ALA HA 1 33 GLU H 0.000 . 5.000 3.606 3.523 3.698 . 0 0 "[ . 1 . 2 .]" 1
435 1 29 ALA MB 1 33 GLU H 0.000 . 5.000 4.480 4.405 4.539 . 0 0 "[ . 1 . 2 .]" 1
436 1 30 GLU HA 1 33 GLU H 0.000 . 3.500 3.544 3.517 3.562 0.062 11 0 "[ . 1 . 2 .]" 1
437 1 31 LEU HA 1 33 GLU H 0.000 . 5.000 4.535 4.491 4.593 . 0 0 "[ . 1 . 2 .]" 1
438 1 32 GLY HA2 1 33 GLU H 0.000 . 3.500 2.791 2.770 2.810 . 0 0 "[ . 1 . 2 .]" 1
439 1 32 GLY HA3 1 33 GLU H 0.000 . 3.500 3.561 3.553 3.567 0.067 11 0 "[ . 1 . 2 .]" 1
440 1 33 GLU H 1 33 GLU HB3 0.000 . 3.500 3.528 3.501 3.559 0.059 21 0 "[ . 1 . 2 .]" 1
441 1 33 GLU H 1 33 GLU HB2 0.000 . 2.700 2.213 2.171 2.282 . 0 0 "[ . 1 . 2 .]" 1
442 1 33 GLU H 1 33 GLU HG3 0.000 . 5.000 3.083 2.751 3.677 . 0 0 "[ . 1 . 2 .]" 1
443 1 33 GLU H 1 33 GLU HG2 0.000 . 3.500 3.491 2.652 3.901 0.401 16 0 "[ . 1 . 2 .]" 1
444 1 33 GLU H 1 34 ALA MB 0.000 . 5.000 4.443 4.414 4.488 . 0 0 "[ . 1 . 2 .]" 1
445 1 33 GLU H 1 35 LEU H 0.000 . 5.000 4.073 4.031 4.122 . 0 0 "[ . 1 . 2 .]" 1
446 1 33 GLU H 1 36 LYS H 0.000 . 5.000 4.737 4.628 4.869 . 0 0 "[ . 1 . 2 .]" 1
447 1 33 GLU H 1 46 VAL MG1 0.000 . 5.000 4.273 4.108 4.466 . 0 0 "[ . 1 . 2 .]" 1
448 1 18 PHE QD 1 34 ALA H 0.000 . 5.000 3.903 3.707 4.120 . 0 0 "[ . 1 . 2 .]" 1
449 1 31 LEU HA 1 34 ALA H 0.000 . 3.500 3.529 3.511 3.544 0.044 21 0 "[ . 1 . 2 .]" 1
450 1 31 LEU QD 1 34 ALA H 0.000 . 5.000 4.405 4.103 4.762 . 0 0 "[ . 1 . 2 .]" 1
451 1 32 GLY HA2 1 34 ALA H 0.000 . 5.000 4.739 4.702 4.779 . 0 0 "[ . 1 . 2 .]" 1
452 1 32 GLY HA3 1 34 ALA H 0.000 . 5.000 4.410 4.348 4.448 . 0 0 "[ . 1 . 2 .]" 1
453 1 33 GLU HA 1 34 ALA H 0.000 . 3.500 3.561 3.556 3.566 0.066 9 0 "[ . 1 . 2 .]" 1
454 1 33 GLU HB3 1 34 ALA H 0.000 . 3.500 3.247 3.127 3.405 . 0 0 "[ . 1 . 2 .]" 1
455 1 33 GLU HB2 1 34 ALA H 0.000 . 5.000 2.785 2.741 2.831 . 0 0 "[ . 1 . 2 .]" 1
456 1 33 GLU HG3 1 34 ALA H 0.000 . 5.000 4.847 4.726 5.010 0.010 11 0 "[ . 1 . 2 .]" 1
457 1 33 GLU HG2 1 34 ALA H 0.000 . 5.000 4.884 4.650 4.998 . 0 0 "[ . 1 . 2 .]" 1
458 1 33 GLU H 1 34 ALA H 0.000 . 3.500 2.793 2.764 2.824 . 0 0 "[ . 1 . 2 .]" 1
459 1 34 ALA H 1 34 ALA MB 0.000 . 2.700 2.130 2.065 2.263 . 0 0 "[ . 1 . 2 .]" 1
460 1 34 ALA H 1 35 LEU HB2 0.000 . 5.000 4.352 4.264 4.541 . 0 0 "[ . 1 . 2 .]" 1
461 1 34 ALA H 1 35 LEU H 0.000 . 3.500 2.491 2.459 2.533 . 0 0 "[ . 1 . 2 .]" 1
462 1 34 ALA H 1 36 LYS H 0.000 . 5.000 3.975 3.907 4.087 . 0 0 "[ . 1 . 2 .]" 1
463 1 18 PHE QD 1 35 LEU H 0.000 . 5.000 4.077 3.853 4.268 . 0 0 "[ . 1 . 2 .]" 1
464 1 31 LEU HA 1 35 LEU H 0.000 . 5.000 3.915 3.746 4.133 . 0 0 "[ . 1 . 2 .]" 1
465 1 31 LEU QD 1 35 LEU H 0.000 . 5.000 3.455 3.007 4.141 . 0 0 "[ . 1 . 2 .]" 1
466 1 32 GLY HA2 1 35 LEU H 0.000 . 5.000 4.510 4.444 4.578 . 0 0 "[ . 1 . 2 .]" 1
467 1 32 GLY HA3 1 35 LEU H 0.000 . 5.000 3.311 3.246 3.377 . 0 0 "[ . 1 . 2 .]" 1
468 1 33 GLU HA 1 35 LEU H 0.000 . 5.000 4.523 4.451 4.586 . 0 0 "[ . 1 . 2 .]" 1
469 1 33 GLU HB2 1 35 LEU H 0.000 . 5.000 5.018 4.958 5.040 0.040 3 0 "[ . 1 . 2 .]" 1
470 1 34 ALA HA 1 35 LEU H 0.000 . 3.500 3.534 3.530 3.537 0.037 24 0 "[ . 1 . 2 .]" 1
471 1 34 ALA MB 1 35 LEU H 0.000 . 3.500 2.618 2.500 2.676 . 0 0 "[ . 1 . 2 .]" 1
472 1 35 LEU H 1 35 LEU HB2 0.000 . 2.700 2.200 2.097 2.370 . 0 0 "[ . 1 . 2 .]" 1
473 1 35 LEU H 1 35 LEU HB3 0.000 . 3.500 3.508 3.391 3.582 0.082 23 0 "[ . 1 . 2 .]" 1
474 1 35 LEU H 1 35 LEU MD1 0.000 . 5.000 3.801 3.291 3.983 . 0 0 "[ . 1 . 2 .]" 1
475 1 35 LEU H 1 35 LEU MD2 0.000 . 5.000 3.778 3.261 4.164 . 0 0 "[ . 1 . 2 .]" 1
476 1 35 LEU H 1 35 LEU HG 0.000 . 3.500 2.868 2.370 3.312 . 0 0 "[ . 1 . 2 .]" 1
477 1 35 LEU H 1 36 LYS HB2 0.000 . 5.000 4.544 4.514 4.597 . 0 0 "[ . 1 . 2 .]" 1
478 1 35 LEU H 1 37 THR H 0.000 . 5.000 4.312 4.247 4.380 . 0 0 "[ . 1 . 2 .]" 1
479 1 35 LEU H 1 46 VAL MG2 0.000 . 5.000 4.089 3.995 4.207 . 0 0 "[ . 1 . 2 .]" 1
480 1 32 GLY HA3 1 36 LYS H 0.000 . 5.000 4.041 3.831 4.250 . 0 0 "[ . 1 . 2 .]" 1
481 1 33 GLU HA 1 36 LYS H 0.000 . 3.500 3.566 3.549 3.576 0.076 15 0 "[ . 1 . 2 .]" 1
482 1 34 ALA HA 1 36 LYS H 0.000 . 5.000 4.071 3.943 4.149 . 0 0 "[ . 1 . 2 .]" 1
483 1 34 ALA MB 1 36 LYS H 0.000 . 5.000 4.408 4.337 4.475 . 0 0 "[ . 1 . 2 .]" 1
484 1 35 LEU HA 1 36 LYS H 0.000 . 3.500 3.538 3.520 3.550 0.050 23 0 "[ . 1 . 2 .]" 1
485 1 35 LEU HB2 1 36 LYS H 0.000 . 3.500 3.020 2.813 3.195 . 0 0 "[ . 1 . 2 .]" 1
486 1 35 LEU HB3 1 36 LYS H 0.000 . 5.000 3.458 3.209 3.649 . 0 0 "[ . 1 . 2 .]" 1
487 1 35 LEU MD1 1 36 LYS H 0.000 . 5.000 4.858 4.676 4.938 . 0 0 "[ . 1 . 2 .]" 1
488 1 35 LEU MD2 1 36 LYS H 0.000 . 5.000 4.578 4.402 4.770 . 0 0 "[ . 1 . 2 .]" 1
489 1 35 LEU HG 1 36 LYS H 0.000 . 5.000 4.836 4.540 5.016 0.016 18 0 "[ . 1 . 2 .]" 1
490 1 35 LEU H 1 36 LYS H 0.000 . 3.500 2.718 2.695 2.750 . 0 0 "[ . 1 . 2 .]" 1
491 1 36 LYS H 1 36 LYS HB3 0.000 . 3.500 3.428 3.323 3.510 0.010 9 0 "[ . 1 . 2 .]" 1
492 1 36 LYS H 1 36 LYS HB2 0.000 . 2.700 2.135 2.093 2.190 . 0 0 "[ . 1 . 2 .]" 1
493 1 36 LYS H 1 36 LYS QD 0.000 . 5.000 4.153 3.948 4.606 . 0 0 "[ . 1 . 2 .]" 1
494 1 36 LYS H 1 36 LYS QE 0.000 . 5.000 4.174 3.414 5.005 0.005 9 0 "[ . 1 . 2 .]" 1
495 1 36 LYS H 1 36 LYS QG 0.000 . 3.500 3.146 2.890 3.421 . 0 0 "[ . 1 . 2 .]" 1
496 1 36 LYS H 1 37 THR HB 0.000 . 5.000 5.017 5.000 5.032 0.032 9 0 "[ . 1 . 2 .]" 1
497 1 36 LYS H 1 37 THR MG 0.000 . 5.000 4.324 4.250 4.405 . 0 0 "[ . 1 . 2 .]" 1
498 1 36 LYS H 1 37 THR H 0.000 . 3.500 2.856 2.825 2.897 . 0 0 "[ . 1 . 2 .]" 1
499 1 36 LYS H 1 41 ILE MG 0.000 . 5.000 4.079 3.931 4.202 . 0 0 "[ . 1 . 2 .]" 1
500 1 34 ALA HA 1 37 THR H 0.000 . 5.000 3.956 3.890 4.055 . 0 0 "[ . 1 . 2 .]" 1
501 1 35 LEU HA 1 37 THR H 0.000 . 5.000 3.516 3.454 3.582 . 0 0 "[ . 1 . 2 .]" 1
502 1 35 LEU HB3 1 37 THR H 0.000 . 5.000 4.838 4.776 4.964 . 0 0 "[ . 1 . 2 .]" 1
503 1 36 LYS HA 1 37 THR H 0.000 . 3.500 3.491 3.480 3.504 0.004 21 0 "[ . 1 . 2 .]" 1
504 1 36 LYS HB3 1 37 THR H 0.000 . 3.500 3.341 3.178 3.500 . 0 0 "[ . 1 . 2 .]" 1
505 1 36 LYS HB2 1 37 THR H 0.000 . 3.500 3.335 3.206 3.484 . 0 0 "[ . 1 . 2 .]" 1
506 1 36 LYS QG 1 37 THR H 0.000 . 5.000 4.515 4.488 4.535 . 0 0 "[ . 1 . 2 .]" 1
507 1 37 THR H 1 37 THR HB 0.000 . 2.700 2.353 2.321 2.379 . 0 0 "[ . 1 . 2 .]" 1
508 1 37 THR H 1 37 THR MG 0.000 . 3.500 2.393 2.323 2.470 . 0 0 "[ . 1 . 2 .]" 1
509 1 37 THR H 1 38 LEU HB2 0.000 . 5.000 4.926 4.819 4.985 . 0 0 "[ . 1 . 2 .]" 1
510 1 37 THR H 1 38 LEU HG 0.000 . 5.000 4.556 4.298 5.002 0.002 25 0 "[ . 1 . 2 .]" 1
511 1 37 THR H 1 39 GLY H 0.000 . 5.000 4.378 4.287 4.582 . 0 0 "[ . 1 . 2 .]" 1
512 1 37 THR H 1 41 ILE MG 0.000 . 5.000 5.016 4.992 5.058 0.058 24 0 "[ . 1 . 2 .]" 1
513 1 35 LEU HA 1 38 LEU H 0.000 . 5.000 3.766 3.612 3.874 . 0 0 "[ . 1 . 2 .]" 1
514 1 35 LEU HB3 1 38 LEU H 0.000 . 5.000 4.467 4.352 4.549 . 0 0 "[ . 1 . 2 .]" 1
515 1 36 LYS HA 1 38 LEU H 0.000 . 5.000 3.525 3.425 3.634 . 0 0 "[ . 1 . 2 .]" 1
516 1 36 LYS H 1 38 LEU H 0.000 . 5.000 4.373 4.352 4.393 . 0 0 "[ . 1 . 2 .]" 1
517 1 37 THR HA 1 38 LEU H 0.000 . 3.500 3.475 3.456 3.488 . 0 0 "[ . 1 . 2 .]" 1
518 1 37 THR HB 1 38 LEU H 0.000 . 5.000 3.955 3.903 4.008 . 0 0 "[ . 1 . 2 .]" 1
519 1 37 THR MG 1 38 LEU H 0.000 . 5.000 2.225 1.976 2.376 . 0 0 "[ . 1 . 2 .]" 1
520 1 37 THR H 1 38 LEU H 0.000 . 2.700 2.746 2.733 2.766 0.066 9 0 "[ . 1 . 2 .]" 1
521 1 38 LEU H 1 38 LEU HB2 0.000 . 2.700 2.419 2.317 2.483 . 0 0 "[ . 1 . 2 .]" 1
522 1 38 LEU H 1 38 LEU MD1 0.000 . 5.000 3.438 2.602 3.824 . 0 0 "[ . 1 . 2 .]" 1
523 1 38 LEU H 1 38 LEU MD2 0.000 . 5.000 3.465 2.985 4.083 . 0 0 "[ . 1 . 2 .]" 1
524 1 38 LEU H 1 38 LEU HG 0.000 . 5.000 2.411 2.221 2.743 . 0 0 "[ . 1 . 2 .]" 1
525 1 38 LEU H 1 39 GLY HA3 0.000 . 5.000 4.965 4.907 5.012 0.012 14 0 "[ . 1 . 2 .]" 1
526 1 38 LEU H 1 39 GLY H 0.000 . 2.700 2.646 2.576 2.716 0.016 15 0 "[ . 1 . 2 .]" 1
527 1 38 LEU H 1 40 SER H 0.000 . 5.000 4.364 4.249 4.938 . 0 0 "[ . 1 . 2 .]" 1
528 1 36 LYS HA 1 39 GLY H 0.000 . 3.500 3.368 3.225 3.478 . 0 0 "[ . 1 . 2 .]" 1
529 1 36 LYS QG 1 39 GLY H 0.000 . 5.000 4.398 4.189 4.586 . 0 0 "[ . 1 . 2 .]" 1
530 1 37 THR HA 1 39 GLY H 0.000 . 5.000 3.960 3.866 4.359 . 0 0 "[ . 1 . 2 .]" 1
531 1 37 THR MG 1 39 GLY H 0.000 . 5.000 4.306 4.254 4.382 . 0 0 "[ . 1 . 2 .]" 1
532 1 38 LEU HA 1 39 GLY H 0.000 . 3.500 3.519 3.506 3.554 0.054 15 0 "[ . 1 . 2 .]" 1
533 1 38 LEU HB2 1 39 GLY H 0.000 . 3.500 2.801 2.517 2.885 . 0 0 "[ . 1 . 2 .]" 1
534 1 38 LEU HB3 1 39 GLY H 0.000 . 5.000 3.704 3.433 3.803 . 0 0 "[ . 1 . 2 .]" 1
535 1 38 LEU MD1 1 39 GLY H 0.000 . 5.000 4.616 4.160 4.872 . 0 0 "[ . 1 . 2 .]" 1
536 1 38 LEU MD2 1 39 GLY H 0.000 . 5.000 4.652 4.443 4.993 . 0 0 "[ . 1 . 2 .]" 1
537 1 38 LEU HG 1 39 GLY H 0.000 . 5.000 4.476 4.341 4.636 . 0 0 "[ . 1 . 2 .]" 1
538 1 39 GLY H 1 39 GLY HA3 0.000 . 2.700 2.353 2.345 2.387 . 0 0 "[ . 1 . 2 .]" 1
539 1 39 GLY H 1 41 ILE MG 0.000 . 5.000 3.958 3.505 4.113 . 0 0 "[ . 1 . 2 .]" 1
540 1 38 LEU HB3 1 40 SER H 0.000 . 5.000 2.668 2.493 2.769 . 0 0 "[ . 1 . 2 .]" 1
541 1 39 GLY HA3 1 40 SER H 0.000 . 3.500 3.267 3.188 3.531 0.031 15 0 "[ . 1 . 2 .]" 1
542 1 39 GLY HA2 1 40 SER H 0.000 . 3.500 3.324 2.921 3.391 . 0 0 "[ . 1 . 2 .]" 1
543 1 39 GLY H 1 40 SER H 0.000 . 3.500 2.656 2.614 3.040 . 0 0 "[ . 1 . 2 .]" 1
544 1 40 SER H 1 40 SER QB 0.000 . 2.700 2.724 2.703 2.739 0.039 17 0 "[ . 1 . 2 .]" 1
545 1 40 SER H 1 41 ILE MD 0.000 . 5.000 4.960 4.694 5.017 0.017 4 0 "[ . 1 . 2 .]" 1
546 1 39 GLY HA3 1 41 ILE H 0.000 . 5.000 4.563 4.245 4.865 . 0 0 "[ . 1 . 2 .]" 1
547 1 39 GLY H 1 41 ILE H 0.000 . 5.000 4.364 3.822 4.599 . 0 0 "[ . 1 . 2 .]" 1
548 1 40 SER HA 1 41 ILE H 0.000 . 2.700 2.655 2.530 2.737 0.037 17 0 "[ . 1 . 2 .]" 1
549 1 40 SER HB3 1 41 ILE H 0.000 . 5.000 4.359 4.282 4.646 . 0 0 "[ . 1 . 2 .]" 1
550 1 40 SER HB2 1 41 ILE H 0.000 . 5.000 4.558 4.439 4.687 . 0 0 "[ . 1 . 2 .]" 1
551 1 40 SER H 1 41 ILE H 0.000 . 5.000 2.765 2.540 3.113 . 0 0 "[ . 1 . 2 .]" 1
552 1 41 ILE H 1 41 ILE HB 0.000 . 3.500 3.078 2.919 3.190 . 0 0 "[ . 1 . 2 .]" 1
553 1 41 ILE H 1 41 ILE MD 0.000 . 5.000 4.629 4.106 4.793 . 0 0 "[ . 1 . 2 .]" 1
554 1 41 ILE H 1 41 ILE HG12 0.000 . 5.000 4.797 4.722 5.030 0.030 18 0 "[ . 1 . 2 .]" 1
555 1 41 ILE H 1 41 ILE HG13 0.000 . 5.000 4.641 4.571 4.690 . 0 0 "[ . 1 . 2 .]" 1
556 1 41 ILE H 1 41 ILE MG 0.000 . 3.500 2.399 2.314 2.498 . 0 0 "[ . 1 . 2 .]" 1
557 1 41 ILE H 1 42 THR H 0.000 . 5.000 4.444 4.422 4.495 . 0 0 "[ . 1 . 2 .]" 1
558 1 41 ILE HA 1 42 THR H 0.000 . 2.700 2.496 2.351 2.562 . 0 0 "[ . 1 . 2 .]" 1
559 1 41 ILE HB 1 42 THR H 0.000 . 5.000 3.912 3.818 4.126 . 0 0 "[ . 1 . 2 .]" 1
560 1 41 ILE MD 1 42 THR H 0.000 . 5.000 3.443 2.257 3.666 . 0 0 "[ . 1 . 2 .]" 1
561 1 41 ILE HG12 1 42 THR H 0.000 . 3.500 2.162 1.854 3.603 0.103 22 0 "[ . 1 . 2 .]" 1
562 1 41 ILE MG 1 42 THR H 0.000 . 3.500 2.914 2.801 3.296 . 0 0 "[ . 1 . 2 .]" 1
563 1 42 THR H 1 42 THR MG 0.000 . 2.700 2.049 1.851 2.138 . 0 0 "[ . 1 . 2 .]" 1
564 1 42 THR H 1 43 PRO QD 0.000 . 5.000 4.410 4.399 4.433 . 0 0 "[ . 1 . 2 .]" 1
565 1 42 THR H 1 44 ASP H 0.000 . 5.000 5.045 4.925 5.096 0.096 22 0 "[ . 1 . 2 .]" 1
566 1 42 THR H 1 45 GLU HB2 0.000 . 3.500 2.759 2.617 3.185 . 0 0 "[ . 1 . 2 .]" 1
567 1 42 THR H 1 45 GLU HB3 0.000 . 5.000 4.210 4.045 4.630 . 0 0 "[ . 1 . 2 .]" 1
568 1 42 THR H 1 45 GLU QG 0.000 . 3.500 3.124 2.673 3.385 . 0 0 "[ . 1 . 2 .]" 1
569 1 42 THR H 1 46 VAL MG2 0.000 . 5.000 4.265 4.079 4.623 . 0 0 "[ . 1 . 2 .]" 1
570 1 42 THR HA 1 44 ASP H 0.000 . 5.000 4.251 4.172 4.299 . 0 0 "[ . 1 . 2 .]" 1
571 1 42 THR HB 1 44 ASP H 0.000 . 3.500 3.549 3.527 3.601 0.101 9 0 "[ . 1 . 2 .]" 1
572 1 42 THR MG 1 44 ASP H 0.000 . 5.000 4.158 3.876 4.245 . 0 0 "[ . 1 . 2 .]" 1
573 1 43 PRO HA 1 44 ASP H 0.000 . 3.500 3.532 3.519 3.535 0.035 21 0 "[ . 1 . 2 .]" 1
574 1 43 PRO HB3 1 44 ASP H 0.000 . 5.000 4.105 4.082 4.156 . 0 0 "[ . 1 . 2 .]" 1
575 1 43 PRO HB2 1 44 ASP H 0.000 . 3.500 3.296 3.260 3.397 . 0 0 "[ . 1 . 2 .]" 1
576 1 43 PRO QD 1 44 ASP H 0.000 . 3.500 2.580 2.493 2.619 . 0 0 "[ . 1 . 2 .]" 1
577 1 43 PRO HG3 1 44 ASP H 0.000 . 5.000 3.801 3.767 3.878 . 0 0 "[ . 1 . 2 .]" 1
578 1 44 ASP H 1 44 ASP QB 0.000 . 2.700 2.392 2.081 2.501 . 0 0 "[ . 1 . 2 .]" 1
579 1 44 ASP H 1 45 GLU QG 0.000 . 5.000 4.234 4.086 4.381 . 0 0 "[ . 1 . 2 .]" 1
580 1 41 ILE MD 1 45 GLU H 0.000 . 5.000 4.971 4.634 5.017 0.017 3 0 "[ . 1 . 2 .]" 1
581 1 41 ILE MG 1 45 GLU H 0.000 . 5.000 5.045 5.028 5.069 0.069 24 0 "[ . 1 . 2 .]" 1
582 1 42 THR HA 1 45 GLU H 0.000 . 5.000 4.702 4.589 4.840 . 0 0 "[ . 1 . 2 .]" 1
583 1 42 THR HB 1 45 GLU H 0.000 . 5.000 4.458 4.340 4.732 . 0 0 "[ . 1 . 2 .]" 1
584 1 42 THR MG 1 45 GLU H 0.000 . 5.000 3.587 3.410 3.666 . 0 0 "[ . 1 . 2 .]" 1
585 1 42 THR H 1 45 GLU H 0.000 . 5.000 3.747 3.676 3.846 . 0 0 "[ . 1 . 2 .]" 1
586 1 43 PRO QD 1 45 GLU H 0.000 . 5.000 4.280 4.236 4.370 . 0 0 "[ . 1 . 2 .]" 1
587 1 44 ASP HA 1 45 GLU H 0.000 . 3.500 3.513 3.473 3.532 0.032 7 0 "[ . 1 . 2 .]" 1
588 1 44 ASP QB 1 45 GLU H 0.000 . 3.500 2.922 2.818 3.090 . 0 0 "[ . 1 . 2 .]" 1
589 1 44 ASP H 1 45 GLU H 0.000 . 3.500 2.679 2.606 2.718 . 0 0 "[ . 1 . 2 .]" 1
590 1 45 GLU H 1 45 GLU HB2 0.000 . 2.700 2.421 2.359 2.503 . 0 0 "[ . 1 . 2 .]" 1
591 1 45 GLU H 1 45 GLU QG 0.000 . 2.700 2.406 2.193 2.554 . 0 0 "[ . 1 . 2 .]" 1
592 1 45 GLU H 1 46 VAL HA 0.000 . 5.000 5.057 5.041 5.075 0.075 10 0 "[ . 1 . 2 .]" 1
593 1 45 GLU H 1 46 VAL HB 0.000 . 5.000 4.429 4.371 4.473 . 0 0 "[ . 1 . 2 .]" 1
594 1 45 GLU H 1 46 VAL MG2 0.000 . 5.000 4.134 4.030 4.253 . 0 0 "[ . 1 . 2 .]" 1
595 1 45 GLU H 1 46 VAL H 0.000 . 2.700 2.344 2.319 2.363 . 0 0 "[ . 1 . 2 .]" 1
596 1 45 GLU H 1 47 LYS H 0.000 . 5.000 3.812 3.765 3.880 . 0 0 "[ . 1 . 2 .]" 1
597 1 45 GLU H 1 48 HIS H 0.000 . 5.000 4.639 4.478 4.837 . 0 0 "[ . 1 . 2 .]" 1
598 1 41 ILE MD 1 46 VAL H 0.000 . 5.000 4.236 3.913 4.998 . 0 0 "[ . 1 . 2 .]" 1
599 1 41 ILE HG12 1 46 VAL H 0.000 . 5.000 4.006 3.684 4.731 . 0 0 "[ . 1 . 2 .]" 1
600 1 41 ILE MG 1 46 VAL H 0.000 . 5.000 4.455 4.365 4.713 . 0 0 "[ . 1 . 2 .]" 1
601 1 42 THR MG 1 46 VAL H 0.000 . 5.000 5.062 5.049 5.075 0.075 3 0 "[ . 1 . 2 .]" 1
602 1 43 PRO HA 1 46 VAL H 0.000 . 3.500 3.313 3.121 3.502 0.002 22 0 "[ . 1 . 2 .]" 1
603 1 44 ASP HA 1 46 VAL H 0.000 . 5.000 4.444 4.320 4.555 . 0 0 "[ . 1 . 2 .]" 1
604 1 44 ASP QB 1 46 VAL H 0.000 . 5.000 4.822 4.721 4.943 . 0 0 "[ . 1 . 2 .]" 1
605 1 44 ASP H 1 46 VAL H 0.000 . 5.000 4.202 4.119 4.326 . 0 0 "[ . 1 . 2 .]" 1
606 1 45 GLU HA 1 46 VAL H 0.000 . 3.500 3.524 3.511 3.534 0.034 15 0 "[ . 1 . 2 .]" 1
607 1 45 GLU HB2 1 46 VAL H 0.000 . 3.500 2.654 2.570 2.723 . 0 0 "[ . 1 . 2 .]" 1
608 1 45 GLU HB3 1 46 VAL H 0.000 . 5.000 3.670 3.566 3.776 . 0 0 "[ . 1 . 2 .]" 1
609 1 45 GLU QG 1 46 VAL H 0.000 . 5.000 4.024 3.920 4.099 . 0 0 "[ . 1 . 2 .]" 1
610 1 46 VAL H 1 46 VAL HB 0.000 . 2.700 2.405 2.362 2.453 . 0 0 "[ . 1 . 2 .]" 1
611 1 46 VAL H 1 46 VAL MG2 0.000 . 2.700 2.461 2.339 2.568 . 0 0 "[ . 1 . 2 .]" 1
612 1 46 VAL H 1 47 LYS QB 0.000 . 5.000 4.515 4.340 4.644 . 0 0 "[ . 1 . 2 .]" 1
613 1 46 VAL H 1 47 LYS H 0.000 . 2.700 2.573 2.531 2.624 . 0 0 "[ . 1 . 2 .]" 1
614 1 46 VAL H 1 48 HIS H 0.000 . 5.000 4.063 3.933 4.130 . 0 0 "[ . 1 . 2 .]" 1
615 1 46 VAL H 1 49 MET ME 0.000 . 5.000 4.674 3.512 5.013 0.013 9 0 "[ . 1 . 2 .]" 1
616 1 46 VAL H 1 49 MET H 0.000 . 5.000 4.721 4.586 4.829 . 0 0 "[ . 1 . 2 .]" 1
617 1 44 ASP HA 1 47 LYS H 0.000 . 3.500 3.492 3.361 3.531 0.031 7 0 "[ . 1 . 2 .]" 1
618 1 44 ASP H 1 47 LYS H 0.000 . 5.000 4.787 4.711 4.886 . 0 0 "[ . 1 . 2 .]" 1
619 1 45 GLU HB2 1 47 LYS H 0.000 . 5.000 4.963 4.902 5.006 0.006 14 0 "[ . 1 . 2 .]" 1
620 1 46 VAL HA 1 47 LYS H 0.000 . 3.500 3.521 3.512 3.529 0.029 8 0 "[ . 1 . 2 .]" 1
621 1 46 VAL HB 1 47 LYS H 0.000 . 2.700 2.713 2.651 2.730 0.030 17 0 "[ . 1 . 2 .]" 1
622 1 46 VAL MG2 1 47 LYS H 0.000 . 5.000 3.957 3.905 3.994 . 0 0 "[ . 1 . 2 .]" 1
623 1 46 VAL MG1 1 47 LYS H 0.000 . 3.500 3.416 3.288 3.509 0.009 21 0 "[ . 1 . 2 .]" 1
624 1 47 LYS H 1 47 LYS QB 0.000 . 2.700 2.349 2.263 2.442 . 0 0 "[ . 1 . 2 .]" 1
625 1 47 LYS H 1 47 LYS QD 0.000 . 5.000 4.068 3.843 4.663 . 0 0 "[ . 1 . 2 .]" 1
626 1 47 LYS H 1 47 LYS QE 0.000 . 5.000 4.447 4.236 4.846 . 0 0 "[ . 1 . 2 .]" 1
627 1 47 LYS H 1 47 LYS HG3 0.000 . 5.000 2.831 2.226 4.547 . 0 0 "[ . 1 . 2 .]" 1
628 1 47 LYS H 1 47 LYS HG2 0.000 . 5.000 3.722 3.376 4.437 . 0 0 "[ . 1 . 2 .]" 1
629 1 47 LYS H 1 48 HIS QB 0.000 . 5.000 4.357 4.267 4.441 . 0 0 "[ . 1 . 2 .]" 1
630 1 47 LYS H 1 48 HIS H 0.000 . 2.700 2.571 2.473 2.664 . 0 0 "[ . 1 . 2 .]" 1
631 1 44 ASP HA 1 48 HIS H 0.000 . 5.000 4.189 4.033 4.382 . 0 0 "[ . 1 . 2 .]" 1
632 1 44 ASP QB 1 48 HIS H 0.000 . 5.000 4.926 4.753 5.016 0.016 21 0 "[ . 1 . 2 .]" 1
633 1 45 GLU HA 1 48 HIS H 0.000 . 3.500 3.323 3.178 3.447 . 0 0 "[ . 1 . 2 .]" 1
634 1 46 VAL HA 1 48 HIS H 0.000 . 5.000 4.353 4.289 4.386 . 0 0 "[ . 1 . 2 .]" 1
635 1 46 VAL MG1 1 48 HIS H 0.000 . 5.000 4.912 4.854 4.972 . 0 0 "[ . 1 . 2 .]" 1
636 1 47 LYS HA 1 48 HIS H 0.000 . 3.500 3.535 3.526 3.541 0.041 22 0 "[ . 1 . 2 .]" 1
637 1 47 LYS QB 1 48 HIS H 0.000 . 2.700 2.601 2.558 2.653 . 0 0 "[ . 1 . 2 .]" 1
638 1 47 LYS QD 1 48 HIS H 0.000 . 5.000 4.836 4.736 4.990 . 0 0 "[ . 1 . 2 .]" 1
639 1 47 LYS HG3 1 48 HIS H 0.000 . 5.000 4.441 4.289 4.693 . 0 0 "[ . 1 . 2 .]" 1
640 1 48 HIS H 1 48 HIS QB 0.000 . 2.700 2.275 2.259 2.284 . 0 0 "[ . 1 . 2 .]" 1
641 1 48 HIS H 1 48 HIS HD2 0.000 . 5.000 4.968 4.881 5.015 0.015 14 0 "[ . 1 . 2 .]" 1
642 1 48 HIS H 1 51 ALA MB 0.000 . 5.000 4.637 4.513 4.828 . 0 0 "[ . 1 . 2 .]" 1
643 1 31 LEU QD 1 49 MET H 0.000 . 5.000 4.526 4.340 4.717 . 0 0 "[ . 1 . 2 .]" 1
644 1 45 GLU HA 1 49 MET H 0.000 . 5.000 4.145 3.837 4.463 . 0 0 "[ . 1 . 2 .]" 1
645 1 46 VAL HA 1 49 MET H 0.000 . 3.500 3.371 3.286 3.420 . 0 0 "[ . 1 . 2 .]" 1
646 1 46 VAL MG2 1 49 MET H 0.000 . 5.000 5.045 5.020 5.062 0.062 14 0 "[ . 1 . 2 .]" 1
647 1 46 VAL MG1 1 49 MET H 0.000 . 5.000 4.514 4.302 4.648 . 0 0 "[ . 1 . 2 .]" 1
648 1 47 LYS HA 1 49 MET H 0.000 . 5.000 4.383 4.280 4.505 . 0 0 "[ . 1 . 2 .]" 1
649 1 47 LYS H 1 49 MET H 0.000 . 5.000 4.048 3.952 4.148 . 0 0 "[ . 1 . 2 .]" 1
650 1 48 HIS HA 1 49 MET H 0.000 . 5.000 3.558 3.549 3.572 . 0 0 "[ . 1 . 2 .]" 1
651 1 48 HIS QB 1 49 MET H 0.000 . 2.700 2.602 2.507 2.683 . 0 0 "[ . 1 . 2 .]" 1
652 1 48 HIS H 1 49 MET H 0.000 . 2.700 2.628 2.588 2.675 . 0 0 "[ . 1 . 2 .]" 1
653 1 49 MET H 1 49 MET HB2 0.000 . 2.700 2.261 2.225 2.342 . 0 0 "[ . 1 . 2 .]" 1
654 1 49 MET H 1 49 MET HB3 0.000 . 3.500 3.550 3.535 3.575 0.075 10 0 "[ . 1 . 2 .]" 1
655 1 49 MET H 1 49 MET ME 0.000 . 5.000 4.269 3.361 4.522 . 0 0 "[ . 1 . 2 .]" 1
656 1 49 MET H 1 49 MET HG3 0.000 . 3.500 2.748 2.440 2.922 . 0 0 "[ . 1 . 2 .]" 1
657 1 49 MET H 1 49 MET HG2 0.000 . 3.500 3.506 3.492 3.511 0.011 2 0 "[ . 1 . 2 .]" 1
658 1 49 MET H 1 50 MET HB2 0.000 . 5.000 4.641 4.580 4.763 . 0 0 "[ . 1 . 2 .]" 1
659 1 49 MET H 1 50 MET H 0.000 . 2.700 2.720 2.708 2.730 0.030 13 0 "[ . 1 . 2 .]" 1
660 1 49 MET H 1 51 ALA MB 0.000 . 5.000 4.750 4.644 4.923 . 0 0 "[ . 1 . 2 .]" 1
661 1 49 MET H 1 51 ALA H 0.000 . 5.000 4.214 4.147 4.284 . 0 0 "[ . 1 . 2 .]" 1
662 1 49 MET H 1 52 GLU H 0.000 . 5.000 4.782 4.720 4.853 . 0 0 "[ . 1 . 2 .]" 1
663 1 31 LEU QD 1 50 MET H 0.000 . 3.500 3.418 3.326 3.490 . 0 0 "[ . 1 . 2 .]" 1
664 1 46 VAL HA 1 50 MET H 0.000 . 5.000 4.236 4.066 4.431 . 0 0 "[ . 1 . 2 .]" 1
665 1 46 VAL MG1 1 50 MET H 0.000 . 5.000 3.936 3.735 4.103 . 0 0 "[ . 1 . 2 .]" 1
666 1 47 LYS HA 1 50 MET H 0.000 . 3.500 3.520 3.486 3.541 0.041 17 0 "[ . 1 . 2 .]" 1
667 1 47 LYS H 1 50 MET H 0.000 . 5.000 4.867 4.782 4.946 . 0 0 "[ . 1 . 2 .]" 1
668 1 48 HIS HA 1 50 MET H 0.000 . 5.000 4.449 4.298 4.556 . 0 0 "[ . 1 . 2 .]" 1
669 1 48 HIS QB 1 50 MET H 0.000 . 5.000 4.835 4.739 4.913 . 0 0 "[ . 1 . 2 .]" 1
670 1 48 HIS H 1 50 MET H 0.000 . 5.000 4.220 4.140 4.283 . 0 0 "[ . 1 . 2 .]" 1
671 1 49 MET HA 1 50 MET H 0.000 . 3.500 3.551 3.544 3.557 0.057 17 0 "[ . 1 . 2 .]" 1
672 1 49 MET HB2 1 50 MET H 0.000 . 2.700 2.615 2.561 2.670 . 0 0 "[ . 1 . 2 .]" 1
673 1 49 MET HB3 1 50 MET H 0.000 . 3.500 3.257 3.162 3.415 . 0 0 "[ . 1 . 2 .]" 1
674 1 49 MET HG3 1 50 MET H 0.000 . 5.000 4.605 4.457 4.682 . 0 0 "[ . 1 . 2 .]" 1
675 1 49 MET HG2 1 50 MET H 0.000 . 5.000 4.859 4.817 4.929 . 0 0 "[ . 1 . 2 .]" 1
676 1 50 MET H 1 50 MET HB3 0.000 . 3.500 3.550 3.512 3.585 0.085 13 0 "[ . 1 . 2 .]" 1
677 1 50 MET H 1 50 MET HB2 0.000 . 2.700 2.265 2.184 2.385 . 0 0 "[ . 1 . 2 .]" 1
678 1 50 MET H 1 50 MET ME 0.000 . 5.000 4.836 4.639 4.966 . 0 0 "[ . 1 . 2 .]" 1
679 1 50 MET H 1 50 MET HG3 0.000 . 3.500 2.676 2.340 2.921 . 0 0 "[ . 1 . 2 .]" 1
680 1 50 MET H 1 50 MET HG2 0.000 . 5.000 3.620 3.296 3.843 . 0 0 "[ . 1 . 2 .]" 1
681 1 50 MET H 1 51 ALA MB 0.000 . 5.000 4.320 4.268 4.383 . 0 0 "[ . 1 . 2 .]" 1
682 1 50 MET H 1 52 GLU H 0.000 . 5.000 3.842 3.789 3.901 . 0 0 "[ . 1 . 2 .]" 1
683 1 50 MET H 1 53 ILE MD 0.000 . 5.000 4.170 4.049 4.270 . 0 0 "[ . 1 . 2 .]" 1
684 1 47 LYS HA 1 51 ALA H 0.000 . 5.000 4.143 3.878 4.394 . 0 0 "[ . 1 . 2 .]" 1
685 1 48 HIS HA 1 51 ALA H 0.000 . 5.000 3.379 3.254 3.443 . 0 0 "[ . 1 . 2 .]" 1
686 1 48 HIS QB 1 51 ALA H 0.000 . 5.000 5.012 4.947 5.043 0.043 21 0 "[ . 1 . 2 .]" 1
687 1 48 HIS HD2 1 51 ALA H 0.000 . 5.000 4.801 4.430 5.015 0.015 16 0 "[ . 1 . 2 .]" 1
688 1 48 HIS H 1 51 ALA H 0.000 . 5.000 4.756 4.653 4.838 . 0 0 "[ . 1 . 2 .]" 1
689 1 50 MET HA 1 51 ALA H 0.000 . 3.500 3.558 3.550 3.563 0.063 9 0 "[ . 1 . 2 .]" 1
690 1 50 MET HB3 1 51 ALA H 0.000 . 3.500 3.224 3.105 3.364 . 0 0 "[ . 1 . 2 .]" 1
691 1 50 MET HB2 1 51 ALA H 0.000 . 3.500 2.581 2.447 2.697 . 0 0 "[ . 1 . 2 .]" 1
692 1 50 MET ME 1 51 ALA H 0.000 . 5.000 4.971 4.829 5.021 0.021 7 0 "[ . 1 . 2 .]" 1
693 1 50 MET HG3 1 51 ALA H 0.000 . 5.000 4.565 4.332 4.720 . 0 0 "[ . 1 . 2 .]" 1
694 1 50 MET HG2 1 51 ALA H 0.000 . 5.000 4.884 4.802 4.924 . 0 0 "[ . 1 . 2 .]" 1
695 1 50 MET H 1 51 ALA H 0.000 . 3.500 2.737 2.730 2.744 . 0 0 "[ . 1 . 2 .]" 1
696 1 51 ALA H 1 51 ALA MB 0.000 . 2.700 2.139 2.051 2.259 . 0 0 "[ . 1 . 2 .]" 1
697 1 51 ALA H 1 52 GLU HG3 0.000 . 5.000 5.092 4.887 5.943 0.943 25 4 "[ *. - 1 . 2 * +]" 1
698 1 51 ALA H 1 52 GLU H 0.000 . 2.700 2.669 2.634 2.704 0.004 25 0 "[ . 1 . 2 .]" 1
699 1 51 ALA H 1 53 ILE H 0.000 . 5.000 4.173 4.130 4.207 . 0 0 "[ . 1 . 2 .]" 1
700 1 51 ALA H 1 61 ILE MD 0.000 . 5.000 5.053 5.032 5.075 0.075 13 0 "[ . 1 . 2 .]" 1
701 1 48 HIS HA 1 52 GLU H 0.000 . 5.000 4.429 4.342 4.521 . 0 0 "[ . 1 . 2 .]" 1
702 1 48 HIS HD2 1 52 GLU H 0.000 . 5.000 4.391 3.785 4.883 . 0 0 "[ . 1 . 2 .]" 1
703 1 49 MET HA 1 52 GLU H 0.000 . 5.000 3.487 3.436 3.522 . 0 0 "[ . 1 . 2 .]" 1
704 1 49 MET HB3 1 52 GLU H 0.000 . 5.000 5.021 5.005 5.036 0.036 25 0 "[ . 1 . 2 .]" 1
705 1 51 ALA HA 1 52 GLU H 0.000 . 5.000 3.450 3.431 3.469 . 0 0 "[ . 1 . 2 .]" 1
706 1 51 ALA MB 1 52 GLU H 0.000 . 3.500 2.970 2.889 3.026 . 0 0 "[ . 1 . 2 .]" 1
707 1 52 GLU H 1 52 GLU HB2 0.000 . 2.700 2.311 2.280 2.339 . 0 0 "[ . 1 . 2 .]" 1
708 1 52 GLU H 1 52 GLU HG2 0.000 . 5.000 3.772 3.021 4.002 . 0 0 "[ . 1 . 2 .]" 1
709 1 52 GLU H 1 52 GLU HG3 0.000 . 3.500 3.238 3.049 3.919 0.419 23 0 "[ . 1 . 2 .]" 1
710 1 52 GLU H 1 53 ILE HB 0.000 . 5.000 4.362 4.328 4.386 . 0 0 "[ . 1 . 2 .]" 1
711 1 52 GLU H 1 53 ILE MD 0.000 . 5.000 4.837 4.811 4.862 . 0 0 "[ . 1 . 2 .]" 1
712 1 49 MET HA 1 53 ILE H 0.000 . 5.000 3.980 3.887 4.067 . 0 0 "[ . 1 . 2 .]" 1
713 1 49 MET HB3 1 53 ILE H 0.000 . 5.000 4.638 4.522 4.751 . 0 0 "[ . 1 . 2 .]" 1
714 1 50 MET HA 1 53 ILE H 0.000 . 3.500 3.044 2.991 3.102 . 0 0 "[ . 1 . 2 .]" 1
715 1 52 GLU HA 1 53 ILE H 0.000 . 3.500 3.525 3.519 3.530 0.030 24 0 "[ . 1 . 2 .]" 1
716 1 52 GLU HB3 1 53 ILE H 0.000 . 3.500 3.493 3.467 3.517 0.017 25 0 "[ . 1 . 2 .]" 1
717 1 52 GLU HB2 1 53 ILE H 0.000 . 3.500 2.802 2.750 2.833 . 0 0 "[ . 1 . 2 .]" 1
718 1 52 GLU HG2 1 53 ILE H 0.000 . 5.000 4.903 4.562 5.003 0.003 1 0 "[ . 1 . 2 .]" 1
719 1 52 GLU HG3 1 53 ILE H 0.000 . 5.000 4.716 4.627 5.011 0.011 4 0 "[ . 1 . 2 .]" 1
720 1 52 GLU H 1 53 ILE H 0.000 . 2.700 2.181 2.153 2.218 . 0 0 "[ . 1 . 2 .]" 1
721 1 53 ILE H 1 53 ILE HB 0.000 . 2.700 2.449 2.428 2.466 . 0 0 "[ . 1 . 2 .]" 1
722 1 53 ILE H 1 53 ILE MD 0.000 . 3.500 3.549 3.535 3.565 0.065 1 0 "[ . 1 . 2 .]" 1
723 1 53 ILE H 1 53 ILE HG13 0.000 . 2.700 2.240 2.213 2.261 . 0 0 "[ . 1 . 2 .]" 1
724 1 53 ILE H 1 53 ILE HG12 0.000 . 3.500 3.537 3.529 3.545 0.045 9 0 "[ . 1 . 2 .]" 1
725 1 53 ILE H 1 54 ASP HB3 0.000 . 5.000 4.950 4.925 4.974 . 0 0 "[ . 1 . 2 .]" 1
726 1 53 ILE H 1 61 ILE MD 0.000 . 5.000 3.638 3.556 3.690 . 0 0 "[ . 1 . 2 .]" 1
727 1 53 ILE H 1 69 PHE QD 0.000 . 5.000 5.014 4.971 5.041 0.041 15 0 "[ . 1 . 2 .]" 1
728 1 50 MET HA 1 54 ASP H 0.000 . 5.000 3.180 2.989 3.344 . 0 0 "[ . 1 . 2 .]" 1
729 1 50 MET ME 1 54 ASP H 0.000 . 5.000 4.734 4.501 4.836 . 0 0 "[ . 1 . 2 .]" 1
730 1 50 MET HG2 1 54 ASP H 0.000 . 5.000 4.950 4.812 5.017 0.017 16 0 "[ . 1 . 2 .]" 1
731 1 51 ALA HA 1 54 ASP H 0.000 . 5.000 3.830 3.693 3.966 . 0 0 "[ . 1 . 2 .]" 1
732 1 51 ALA MB 1 54 ASP H 0.000 . 5.000 4.875 4.762 4.955 . 0 0 "[ . 1 . 2 .]" 1
733 1 52 GLU QB 1 54 ASP H 0.000 . 5.000 4.611 4.570 4.636 . 0 0 "[ . 1 . 2 .]" 1
734 1 52 GLU H 1 54 ASP H 0.000 . 3.500 3.525 3.504 3.541 0.041 12 0 "[ . 1 . 2 .]" 1
735 1 53 ILE HA 1 54 ASP H 0.000 . 3.500 3.517 3.502 3.525 0.025 16 0 "[ . 1 . 2 .]" 1
736 1 53 ILE HB 1 54 ASP H 0.000 . 3.500 2.770 2.732 2.824 . 0 0 "[ . 1 . 2 .]" 1
737 1 53 ILE MD 1 54 ASP H 0.000 . 5.000 4.609 4.537 4.670 . 0 0 "[ . 1 . 2 .]" 1
738 1 53 ILE HG12 1 54 ASP H 0.000 . 5.000 5.017 5.007 5.032 0.032 12 0 "[ . 1 . 2 .]" 1
739 1 53 ILE MG 1 54 ASP H 0.000 . 3.500 3.584 3.564 3.606 0.106 12 0 "[ . 1 . 2 .]" 1
740 1 53 ILE H 1 54 ASP H 0.000 . 2.700 2.391 2.371 2.417 . 0 0 "[ . 1 . 2 .]" 1
741 1 54 ASP H 1 54 ASP HB3 0.000 . 2.700 2.820 2.803 2.834 0.134 15 0 "[ . 1 . 2 .]" 1
742 1 54 ASP H 1 54 ASP HB2 0.000 . 2.700 2.206 2.184 2.239 . 0 0 "[ . 1 . 2 .]" 1
743 1 54 ASP H 1 55 THR MG 0.000 . 5.000 4.966 4.868 5.032 0.032 23 0 "[ . 1 . 2 .]" 1
744 1 54 ASP H 1 61 ILE MD 0.000 . 5.000 2.345 2.256 2.434 . 0 0 "[ . 1 . 2 .]" 1
745 1 54 ASP H 1 61 ILE HG13 0.000 . 5.000 4.517 4.434 4.634 . 0 0 "[ . 1 . 2 .]" 1
746 1 53 ILE HA 1 55 THR H 0.000 . 5.000 5.010 4.981 5.036 0.036 25 0 "[ . 1 . 2 .]" 1
747 1 53 ILE MG 1 55 THR H 0.000 . 5.000 4.064 3.991 4.128 . 0 0 "[ . 1 . 2 .]" 1
748 1 54 ASP HA 1 55 THR H 0.000 . 2.700 2.244 2.235 2.253 . 0 0 "[ . 1 . 2 .]" 1
749 1 54 ASP HB3 1 55 THR H 0.000 . 5.000 4.289 4.276 4.307 . 0 0 "[ . 1 . 2 .]" 1
750 1 54 ASP HB2 1 55 THR H 0.000 . 5.000 4.636 4.624 4.645 . 0 0 "[ . 1 . 2 .]" 1
751 1 54 ASP H 1 55 THR H 0.000 . 5.000 4.314 4.300 4.322 . 0 0 "[ . 1 . 2 .]" 1
752 1 55 THR H 1 55 THR MG 0.000 . 2.700 2.165 2.053 2.301 . 0 0 "[ . 1 . 2 .]" 1
753 1 55 THR H 1 56 ASP H 0.000 . 3.500 2.701 2.663 2.761 . 0 0 "[ . 1 . 2 .]" 1
754 1 55 THR H 1 57 GLY H 0.000 . 5.000 3.909 3.761 4.148 . 0 0 "[ . 1 . 2 .]" 1
755 1 55 THR H 1 65 GLU HB3 0.000 . 5.000 3.344 3.047 3.632 . 0 0 "[ . 1 . 2 .]" 1
756 1 55 THR H 1 65 GLU HG2 0.000 . 3.500 2.805 2.465 3.048 . 0 0 "[ . 1 . 2 .]" 1
757 1 55 THR H 1 65 GLU HG3 0.000 . 5.000 4.154 3.828 4.375 . 0 0 "[ . 1 . 2 .]" 1
758 1 54 ASP HA 1 56 ASP H 0.000 . 5.000 3.964 3.865 4.015 . 0 0 "[ . 1 . 2 .]" 1
759 1 55 THR HA 1 56 ASP H 0.000 . 3.500 3.567 3.559 3.576 0.076 25 0 "[ . 1 . 2 .]" 1
760 1 55 THR HB 1 56 ASP H 0.000 . 3.500 3.520 3.509 3.541 0.041 13 0 "[ . 1 . 2 .]" 1
761 1 55 THR MG 1 56 ASP H 0.000 . 5.000 3.832 3.754 3.926 . 0 0 "[ . 1 . 2 .]" 1
762 1 56 ASP H 1 56 ASP HB2 0.000 . 3.500 3.662 3.569 3.685 0.185 25 0 "[ . 1 . 2 .]" 1
763 1 56 ASP H 1 57 GLY HA3 0.000 . 5.000 4.652 4.616 4.723 . 0 0 "[ . 1 . 2 .]" 1
764 1 56 ASP H 1 57 GLY H 0.000 . 2.700 2.355 2.337 2.399 . 0 0 "[ . 1 . 2 .]" 1
765 1 56 ASP H 1 61 ILE MD 0.000 . 5.000 5.019 4.971 5.039 0.039 20 0 "[ . 1 . 2 .]" 1
766 1 56 ASP H 1 65 GLU HG2 0.000 . 5.000 3.988 3.893 4.129 . 0 0 "[ . 1 . 2 .]" 1
767 1 56 ASP H 1 65 GLU HG3 0.000 . 5.000 4.778 4.484 5.029 0.029 15 0 "[ . 1 . 2 .]" 1
768 1 54 ASP HA 1 57 GLY H 0.000 . 5.000 3.869 3.761 4.017 . 0 0 "[ . 1 . 2 .]" 1
769 1 54 ASP HB3 1 57 GLY H 0.000 . 5.000 3.651 3.503 3.754 . 0 0 "[ . 1 . 2 .]" 1
770 1 56 ASP HA 1 57 GLY H 0.000 . 3.500 3.526 3.505 3.553 0.053 15 0 "[ . 1 . 2 .]" 1
771 1 56 ASP HB3 1 57 GLY H 0.000 . 5.000 3.845 3.642 4.239 . 0 0 "[ . 1 . 2 .]" 1
772 1 56 ASP HB2 1 57 GLY H 0.000 . 5.000 3.882 3.549 4.042 . 0 0 "[ . 1 . 2 .]" 1
773 1 57 GLY H 1 57 GLY HA3 0.000 . 2.700 2.428 2.396 2.473 . 0 0 "[ . 1 . 2 .]" 1
774 1 56 ASP H 1 58 ASP H 0.000 . 5.000 4.061 4.003 4.123 . 0 0 "[ . 1 . 2 .]" 1
775 1 57 GLY HA2 1 58 ASP H 0.000 . 5.000 3.527 3.516 3.536 . 0 0 "[ . 1 . 2 .]" 1
776 1 57 GLY HA3 1 58 ASP H 0.000 . 3.500 3.020 2.972 3.042 . 0 0 "[ . 1 . 2 .]" 1
777 1 57 GLY H 1 58 ASP H 0.000 . 3.500 2.236 2.086 2.341 . 0 0 "[ . 1 . 2 .]" 1
778 1 58 ASP H 1 58 ASP HB3 0.000 . 3.500 2.611 2.534 3.038 . 0 0 "[ . 1 . 2 .]" 1
779 1 58 ASP H 1 59 GLY HA3 0.000 . 5.000 4.918 4.866 4.972 . 0 0 "[ . 1 . 2 .]" 1
780 1 58 ASP H 1 59 GLY H 0.000 . 2.700 2.497 2.440 2.551 . 0 0 "[ . 1 . 2 .]" 1
781 1 58 ASP H 1 60 PHE H 0.000 . 3.500 3.476 3.401 3.547 0.047 21 0 "[ . 1 . 2 .]" 1
782 1 50 MET ME 1 59 GLY H 0.000 . 5.000 4.282 4.106 4.422 . 0 0 "[ . 1 . 2 .]" 1
783 1 57 GLY HA2 1 59 GLY H 0.000 . 5.000 4.178 4.099 4.267 . 0 0 "[ . 1 . 2 .]" 1
784 1 57 GLY HA3 1 59 GLY H 0.000 . 3.500 3.038 2.981 3.112 . 0 0 "[ . 1 . 2 .]" 1
785 1 57 GLY H 1 59 GLY H 0.000 . 5.000 3.878 3.828 3.920 . 0 0 "[ . 1 . 2 .]" 1
786 1 58 ASP HA 1 59 GLY H 0.000 . 3.500 3.318 3.301 3.339 . 0 0 "[ . 1 . 2 .]" 1
787 1 58 ASP HB3 1 59 GLY H 0.000 . 5.000 4.281 4.239 4.506 . 0 0 "[ . 1 . 2 .]" 1
788 1 59 GLY H 1 59 GLY HA3 0.000 . 2.700 2.422 2.417 2.426 . 0 0 "[ . 1 . 2 .]" 1
789 1 59 GLY H 1 60 PHE HA 0.000 . 5.000 4.906 4.863 4.937 . 0 0 "[ . 1 . 2 .]" 1
790 1 59 GLY H 1 60 PHE QD 0.000 . 5.000 4.533 4.139 4.847 . 0 0 "[ . 1 . 2 .]" 1
791 1 25 LYS QB 1 60 PHE H 0.000 . 5.000 4.769 4.730 4.853 . 0 0 "[ . 1 . 2 .]" 1
792 1 25 LYS QD 1 60 PHE H 0.000 . 5.000 4.858 4.742 4.885 . 0 0 "[ . 1 . 2 .]" 1
793 1 50 MET ME 1 60 PHE H 0.000 . 5.000 3.592 3.465 3.778 . 0 0 "[ . 1 . 2 .]" 1
794 1 58 ASP HA 1 60 PHE H 0.000 . 5.000 4.499 4.481 4.527 . 0 0 "[ . 1 . 2 .]" 1
795 1 58 ASP HB2 1 60 PHE H 0.000 . 5.000 4.173 3.665 4.253 . 0 0 "[ . 1 . 2 .]" 1
796 1 59 GLY HA2 1 60 PHE H 0.000 . 3.500 3.260 3.223 3.299 . 0 0 "[ . 1 . 2 .]" 1
797 1 59 GLY HA3 1 60 PHE H 0.000 . 3.500 3.350 3.307 3.385 . 0 0 "[ . 1 . 2 .]" 1
798 1 59 GLY H 1 60 PHE H 0.000 . 2.700 2.407 2.312 2.479 . 0 0 "[ . 1 . 2 .]" 1
799 1 60 PHE H 1 60 PHE HB2 0.000 . 3.500 2.852 2.815 2.890 . 0 0 "[ . 1 . 2 .]" 1
800 1 60 PHE H 1 60 PHE QD 0.000 . 3.500 2.864 2.539 3.070 . 0 0 "[ . 1 . 2 .]" 1
801 1 60 PHE H 1 61 ILE HA 0.000 . 5.000 4.866 4.853 4.882 . 0 0 "[ . 1 . 2 .]" 1
802 1 60 PHE H 1 61 ILE MD 0.000 . 5.000 4.125 4.034 4.265 . 0 0 "[ . 1 . 2 .]" 1
803 1 25 LYS HA 1 61 ILE H 0.000 . 5.000 3.970 3.856 4.048 . 0 0 "[ . 1 . 2 .]" 1
804 1 25 LYS QB 1 61 ILE H 0.000 . 5.000 3.878 3.810 3.981 . 0 0 "[ . 1 . 2 .]" 1
805 1 26 ILE HB 1 61 ILE H 0.000 . 3.500 2.898 2.804 3.004 . 0 0 "[ . 1 . 2 .]" 1
806 1 26 ILE MD 1 61 ILE H 0.000 . 5.000 4.434 4.266 4.533 . 0 0 "[ . 1 . 2 .]" 1
807 1 26 ILE MG 1 61 ILE H 0.000 . 5.000 4.352 4.277 4.461 . 0 0 "[ . 1 . 2 .]" 1
808 1 27 SER HA 1 61 ILE H 0.000 . 5.000 4.222 4.118 4.325 . 0 0 "[ . 1 . 2 .]" 1
809 1 50 MET ME 1 61 ILE H 0.000 . 3.500 2.844 2.660 3.107 . 0 0 "[ . 1 . 2 .]" 1
810 1 60 PHE HA 1 61 ILE H 0.000 . 2.700 2.323 2.308 2.338 . 0 0 "[ . 1 . 2 .]" 1
811 1 60 PHE HB2 1 61 ILE H 0.000 . 5.000 3.625 3.575 3.691 . 0 0 "[ . 1 . 2 .]" 1
812 1 60 PHE HB3 1 61 ILE H 0.000 . 3.500 2.671 2.637 2.746 . 0 0 "[ . 1 . 2 .]" 1
813 1 60 PHE QD 1 61 ILE H 0.000 . 5.000 4.040 3.971 4.103 . 0 0 "[ . 1 . 2 .]" 1
814 1 60 PHE H 1 61 ILE H 0.000 . 5.000 4.483 4.463 4.501 . 0 0 "[ . 1 . 2 .]" 1
815 1 61 ILE H 1 61 ILE HB 0.000 . 2.700 2.641 2.603 2.683 . 0 0 "[ . 1 . 2 .]" 1
816 1 61 ILE H 1 61 ILE MD 0.000 . 3.500 3.260 3.185 3.317 . 0 0 "[ . 1 . 2 .]" 1
817 1 61 ILE H 1 61 ILE HG13 0.000 . 5.000 3.856 3.802 3.906 . 0 0 "[ . 1 . 2 .]" 1
818 1 61 ILE H 1 61 ILE HG12 0.000 . 5.000 2.390 2.323 2.454 . 0 0 "[ . 1 . 2 .]" 1
819 1 61 ILE HA 1 62 SER H 0.000 . 2.700 2.222 2.206 2.233 . 0 0 "[ . 1 . 2 .]" 1
820 1 61 ILE HB 1 62 SER H 0.000 . 5.000 4.091 4.040 4.127 . 0 0 "[ . 1 . 2 .]" 1
821 1 61 ILE MD 1 62 SER H 0.000 . 5.000 3.813 3.756 3.887 . 0 0 "[ . 1 . 2 .]" 1
822 1 61 ILE MG 1 62 SER H 0.000 . 3.500 2.655 2.590 2.739 . 0 0 "[ . 1 . 2 .]" 1
823 1 62 SER H 1 62 SER HB2 0.000 . 3.500 3.001 2.527 3.526 0.026 21 0 "[ . 1 . 2 .]" 1
824 1 62 SER H 1 63 PHE H 0.000 . 5.000 4.569 4.548 4.584 . 0 0 "[ . 1 . 2 .]" 1
825 1 62 SER H 1 64 GLN H 0.000 . 5.000 4.973 4.920 5.010 0.010 9 0 "[ . 1 . 2 .]" 1
826 1 62 SER H 1 65 GLU HA 0.000 . 5.000 4.740 4.718 4.760 . 0 0 "[ . 1 . 2 .]" 1
827 1 62 SER H 1 65 GLU HB2 0.000 . 2.700 1.822 1.785 1.845 . 0 0 "[ . 1 . 2 .]" 1
828 1 62 SER H 1 65 GLU HB3 0.000 . 3.500 3.220 3.095 3.305 . 0 0 "[ . 1 . 2 .]" 1
829 1 62 SER H 1 65 GLU HG2 0.000 . 5.000 4.195 4.111 4.292 . 0 0 "[ . 1 . 2 .]" 1
830 1 62 SER H 1 65 GLU HG3 0.000 . 5.000 3.272 3.058 3.626 . 0 0 "[ . 1 . 2 .]" 1
831 1 62 SER H 1 65 GLU H 0.000 . 3.500 3.291 3.242 3.350 . 0 0 "[ . 1 . 2 .]" 1
832 1 62 SER H 1 66 PHE HB2 0.000 . 5.000 5.008 4.958 5.023 0.023 6 0 "[ . 1 . 2 .]" 1
833 1 62 SER H 1 66 PHE H 0.000 . 5.000 3.738 3.681 3.792 . 0 0 "[ . 1 . 2 .]" 1
834 1 15 PHE QE 1 63 PHE H 0.000 . 5.000 3.261 3.131 3.472 . 0 0 "[ . 1 . 2 .]" 1
835 1 15 PHE HZ 1 63 PHE H 0.000 . 5.000 3.008 2.888 3.154 . 0 0 "[ . 1 . 2 .]" 1
836 1 25 LYS HA 1 63 PHE H 0.000 . 5.000 4.750 4.668 4.852 . 0 0 "[ . 1 . 2 .]" 1
837 1 62 SER HA 1 63 PHE H 0.000 . 2.700 2.481 2.454 2.516 . 0 0 "[ . 1 . 2 .]" 1
838 1 62 SER HB3 1 63 PHE H 0.000 . 2.700 2.897 2.413 3.493 0.793 21 9 "[ -.* * 1 ***. *+ * .]" 1
839 1 62 SER HB2 1 63 PHE H 0.000 . 3.500 3.015 2.400 3.501 0.001 16 0 "[ . 1 . 2 .]" 1
840 1 63 PHE H 1 63 PHE HB3 0.000 . 3.500 2.622 2.595 2.650 . 0 0 "[ . 1 . 2 .]" 1
841 1 63 PHE H 1 63 PHE HB2 0.000 . 2.700 2.549 2.529 2.567 . 0 0 "[ . 1 . 2 .]" 1
842 1 63 PHE H 1 63 PHE QD 0.000 . 5.000 4.170 4.163 4.180 . 0 0 "[ . 1 . 2 .]" 1
843 1 63 PHE H 1 64 GLN HB3 0.000 . 5.000 5.040 5.031 5.052 0.052 16 0 "[ . 1 . 2 .]" 1
844 1 63 PHE H 1 64 GLN HB2 0.000 . 5.000 5.043 5.030 5.052 0.052 17 0 "[ . 1 . 2 .]" 1
845 1 63 PHE H 1 64 GLN H 0.000 . 3.500 2.765 2.758 2.773 . 0 0 "[ . 1 . 2 .]" 1
846 1 63 PHE H 1 66 PHE H 0.000 . 5.000 4.703 4.651 4.733 . 0 0 "[ . 1 . 2 .]" 1
847 1 64 GLN HA 1 64 GLN HE21 0.000 . 5.000 3.220 2.740 3.900 . 0 0 "[ . 1 . 2 .]" 1
848 1 64 GLN HE21 1 64 GLN HG3 0.000 . 3.500 2.328 2.246 3.180 . 0 0 "[ . 1 . 2 .]" 1
849 1 64 GLN HE21 1 64 GLN HG2 0.000 . 3.500 3.215 2.278 3.428 . 0 0 "[ . 1 . 2 .]" 1
850 1 64 GLN HE21 1 67 THR HB 0.000 . 5.000 3.494 2.889 4.144 . 0 0 "[ . 1 . 2 .]" 1
851 1 64 GLN HE21 1 67 THR MG 0.000 . 5.000 3.605 3.245 4.171 . 0 0 "[ . 1 . 2 .]" 1
852 1 64 GLN HE21 1 68 ASP HA 0.000 . 5.000 4.705 4.465 5.004 0.004 22 0 "[ . 1 . 2 .]" 1
853 1 64 GLN HE21 1 68 ASP HB3 0.000 . 5.000 5.166 4.507 5.419 0.419 14 0 "[ . 1 . 2 .]" 1
854 1 64 GLN HA 1 64 GLN HE22 0.000 . 5.000 3.617 3.339 4.726 . 0 0 "[ . 1 . 2 .]" 1
855 1 64 GLN HE22 1 67 THR HB 0.000 . 5.000 3.981 3.583 4.898 . 0 0 "[ . 1 . 2 .]" 1
856 1 64 GLN HE22 1 67 THR MG 0.000 . 5.000 3.546 3.166 4.991 . 0 0 "[ . 1 . 2 .]" 1
857 1 62 SER HA 1 64 GLN H 0.000 . 5.000 4.442 4.393 4.513 . 0 0 "[ . 1 . 2 .]" 1
858 1 62 SER HB3 1 64 GLN H 0.000 . 3.500 3.694 3.091 4.403 0.903 23 12 "[ * *.* * 1****- ** + .]" 1
859 1 62 SER HB2 1 64 GLN H 0.000 . 5.000 2.822 2.467 3.209 . 0 0 "[ . 1 . 2 .]" 1
860 1 63 PHE HA 1 64 GLN H 0.000 . 5.000 3.544 3.540 3.551 . 0 0 "[ . 1 . 2 .]" 1
861 1 63 PHE HB3 1 64 GLN H 0.000 . 3.500 2.515 2.478 2.547 . 0 0 "[ . 1 . 2 .]" 1
862 1 63 PHE HB2 1 64 GLN H 0.000 . 5.000 3.828 3.794 3.851 . 0 0 "[ . 1 . 2 .]" 1
863 1 63 PHE QD 1 64 GLN H 0.000 . 5.000 3.845 3.804 3.869 . 0 0 "[ . 1 . 2 .]" 1
864 1 64 GLN H 1 64 GLN HB3 0.000 . 3.500 2.638 2.624 2.660 . 0 0 "[ . 1 . 2 .]" 1
865 1 64 GLN H 1 64 GLN HB2 0.000 . 3.500 2.421 2.405 2.435 . 0 0 "[ . 1 . 2 .]" 1
866 1 64 GLN H 1 64 GLN HG3 0.000 . 5.000 4.491 4.462 4.616 . 0 0 "[ . 1 . 2 .]" 1
867 1 64 GLN H 1 64 GLN HG2 0.000 . 5.000 4.621 4.353 4.648 . 0 0 "[ . 1 . 2 .]" 1
868 1 64 GLN H 1 65 GLU H 0.000 . 3.500 2.781 2.717 2.818 . 0 0 "[ . 1 . 2 .]" 1
869 1 64 GLN H 1 67 THR HB 0.000 . 5.000 4.958 4.835 5.023 0.023 9 0 "[ . 1 . 2 .]" 1
870 1 64 GLN H 1 67 THR H 0.000 . 5.000 4.554 4.467 4.626 . 0 0 "[ . 1 . 2 .]" 1
871 1 61 ILE MG 1 65 GLU H 0.000 . 5.000 3.948 3.892 4.045 . 0 0 "[ . 1 . 2 .]" 1
872 1 62 SER HA 1 65 GLU H 0.000 . 5.000 4.569 4.510 4.626 . 0 0 "[ . 1 . 2 .]" 1
873 1 62 SER HB3 1 65 GLU H 0.000 . 5.000 4.122 3.787 4.445 . 0 0 "[ . 1 . 2 .]" 1
874 1 62 SER HG 1 65 GLU H 0.000 . 5.000 3.611 1.990 4.854 . 0 0 "[ . 1 . 2 .]" 1
875 1 63 PHE HA 1 65 GLU H 0.000 . 5.000 4.593 4.512 4.646 . 0 0 "[ . 1 . 2 .]" 1
876 1 63 PHE H 1 65 GLU H 0.000 . 5.000 4.317 4.231 4.381 . 0 0 "[ . 1 . 2 .]" 1
877 1 64 GLN HA 1 65 GLU H 0.000 . 5.000 3.581 3.570 3.587 . 0 0 "[ . 1 . 2 .]" 1
878 1 64 GLN HG3 1 65 GLU H 0.000 . 5.000 3.845 3.719 4.747 . 0 0 "[ . 1 . 2 .]" 1
879 1 64 GLN HG2 1 65 GLU H 0.000 . 5.000 4.519 4.374 4.631 . 0 0 "[ . 1 . 2 .]" 1
880 1 65 GLU H 1 65 GLU HB2 0.000 . 3.500 2.289 2.185 2.384 . 0 0 "[ . 1 . 2 .]" 1
881 1 65 GLU H 1 65 GLU HB3 0.000 . 3.500 3.560 3.513 3.586 0.086 23 0 "[ . 1 . 2 .]" 1
882 1 65 GLU H 1 65 GLU HG2 0.000 . 5.000 3.767 3.538 4.058 . 0 0 "[ . 1 . 2 .]" 1
883 1 65 GLU H 1 65 GLU HG3 0.000 . 5.000 2.573 2.333 2.891 . 0 0 "[ . 1 . 2 .]" 1
884 1 65 GLU H 1 67 THR HB 0.000 . 5.000 4.992 4.915 5.023 0.023 7 0 "[ . 1 . 2 .]" 1
885 1 65 GLU H 1 67 THR H 0.000 . 5.000 4.017 3.839 4.103 . 0 0 "[ . 1 . 2 .]" 1
886 1 15 PHE QD 1 66 PHE H 0.000 . 5.000 4.112 4.002 4.231 . 0 0 "[ . 1 . 2 .]" 1
887 1 15 PHE QE 1 66 PHE H 0.000 . 5.000 3.553 3.421 3.661 . 0 0 "[ . 1 . 2 .]" 1
888 1 53 ILE MG 1 66 PHE H 0.000 . 5.000 4.046 3.967 4.128 . 0 0 "[ . 1 . 2 .]" 1
889 1 61 ILE MD 1 66 PHE H 0.000 . 5.000 5.016 5.004 5.032 0.032 19 0 "[ . 1 . 2 .]" 1
890 1 61 ILE MG 1 66 PHE H 0.000 . 3.500 2.464 2.395 2.549 . 0 0 "[ . 1 . 2 .]" 1
891 1 63 PHE HA 1 66 PHE H 0.000 . 3.500 3.505 3.446 3.543 0.043 9 0 "[ . 1 . 2 .]" 1
892 1 63 PHE QD 1 66 PHE H 0.000 . 5.000 5.029 5.015 5.046 0.046 4 0 "[ . 1 . 2 .]" 1
893 1 64 GLN HA 1 66 PHE H 0.000 . 5.000 4.618 4.570 4.663 . 0 0 "[ . 1 . 2 .]" 1
894 1 64 GLN HB3 1 66 PHE H 0.000 . 5.000 4.941 4.886 5.012 0.012 7 0 "[ . 1 . 2 .]" 1
895 1 64 GLN H 1 66 PHE H 0.000 . 5.000 4.200 4.169 4.236 . 0 0 "[ . 1 . 2 .]" 1
896 1 65 GLU HA 1 66 PHE H 0.000 . 3.500 3.559 3.555 3.563 0.063 14 0 "[ . 1 . 2 .]" 1
897 1 65 GLU HB2 1 66 PHE H 0.000 . 3.500 2.561 2.497 2.681 . 0 0 "[ . 1 . 2 .]" 1
898 1 65 GLU HB3 1 66 PHE H 0.000 . 3.500 3.258 3.074 3.393 . 0 0 "[ . 1 . 2 .]" 1
899 1 65 GLU HG2 1 66 PHE H 0.000 . 5.000 4.962 4.941 4.977 . 0 0 "[ . 1 . 2 .]" 1
900 1 65 GLU HG3 1 66 PHE H 0.000 . 5.000 4.526 4.380 4.700 . 0 0 "[ . 1 . 2 .]" 1
901 1 65 GLU H 1 66 PHE H 0.000 . 3.500 2.744 2.694 2.774 . 0 0 "[ . 1 . 2 .]" 1
902 1 66 PHE H 1 66 PHE HB3 0.000 . 2.700 2.577 2.491 2.644 . 0 0 "[ . 1 . 2 .]" 1
903 1 66 PHE H 1 66 PHE HB2 0.000 . 2.700 2.523 2.459 2.595 . 0 0 "[ . 1 . 2 .]" 1
904 1 66 PHE H 1 66 PHE QD 0.000 . 5.000 4.197 4.187 4.205 . 0 0 "[ . 1 . 2 .]" 1
905 1 66 PHE H 1 67 THR HB 0.000 . 5.000 4.786 4.720 4.854 . 0 0 "[ . 1 . 2 .]" 1
906 1 66 PHE H 1 67 THR H 0.000 . 3.500 2.657 2.578 2.709 . 0 0 "[ . 1 . 2 .]" 1
907 1 61 ILE MG 1 67 THR H 0.000 . 5.000 4.612 4.550 4.704 . 0 0 "[ . 1 . 2 .]" 1
908 1 64 GLN HA 1 67 THR H 0.000 . 3.500 3.440 3.372 3.503 0.003 4 0 "[ . 1 . 2 .]" 1
909 1 65 GLU HA 1 67 THR H 0.000 . 5.000 4.316 4.148 4.437 . 0 0 "[ . 1 . 2 .]" 1
910 1 66 PHE HA 1 67 THR H 0.000 . 3.500 3.530 3.503 3.543 0.043 17 0 "[ . 1 . 2 .]" 1
911 1 66 PHE HB3 1 67 THR H 0.000 . 3.500 2.672 2.554 2.861 . 0 0 "[ . 1 . 2 .]" 1
912 1 66 PHE HB2 1 67 THR H 0.000 . 5.000 3.902 3.803 4.028 . 0 0 "[ . 1 . 2 .]" 1
913 1 66 PHE QD 1 67 THR H 0.000 . 3.500 3.495 3.402 3.515 0.015 16 0 "[ . 1 . 2 .]" 1
914 1 67 THR H 1 67 THR HB 0.000 . 2.700 2.412 2.341 2.489 . 0 0 "[ . 1 . 2 .]" 1
915 1 67 THR H 1 68 ASP QB 0.000 . 5.000 4.631 4.393 4.721 . 0 0 "[ . 1 . 2 .]" 1
916 1 64 GLN HA 1 68 ASP H 0.000 . 5.000 3.961 3.858 4.070 . 0 0 "[ . 1 . 2 .]" 1
917 1 64 GLN HE21 1 68 ASP H 0.000 . 5.000 3.916 3.557 4.262 . 0 0 "[ . 1 . 2 .]" 1
918 1 64 GLN QG 1 68 ASP H 0.000 . 5.000 4.108 3.968 4.664 . 0 0 "[ . 1 . 2 .]" 1
919 1 65 GLU HA 1 68 ASP H 0.000 . 5.000 3.516 3.413 3.610 . 0 0 "[ . 1 . 2 .]" 1
920 1 66 PHE HA 1 68 ASP H 0.000 . 5.000 4.640 4.586 4.693 . 0 0 "[ . 1 . 2 .]" 1
921 1 66 PHE H 1 68 ASP H 0.000 . 5.000 4.333 4.270 4.438 . 0 0 "[ . 1 . 2 .]" 1
922 1 67 THR HA 1 68 ASP H 0.000 . 5.000 3.575 3.570 3.581 . 0 0 "[ . 1 . 2 .]" 1
923 1 67 THR HB 1 68 ASP H 0.000 . 2.700 2.473 2.399 2.539 . 0 0 "[ . 1 . 2 .]" 1
924 1 67 THR MG 1 68 ASP H 0.000 . 3.500 3.137 3.019 3.290 . 0 0 "[ . 1 . 2 .]" 1
925 1 67 THR H 1 68 ASP H 0.000 . 2.700 2.694 2.636 2.712 0.012 16 0 "[ . 1 . 2 .]" 1
926 1 68 ASP H 1 68 ASP QB 0.000 . 2.700 2.439 2.255 2.541 . 0 0 "[ . 1 . 2 .]" 1
927 1 68 ASP H 1 69 PHE H 0.000 . 3.500 2.708 2.653 2.734 . 0 0 "[ . 1 . 2 .]" 1
928 1 53 ILE MG 1 69 PHE H 0.000 . 5.000 4.068 3.939 4.260 . 0 0 "[ . 1 . 2 .]" 1
929 1 66 PHE HA 1 69 PHE H 0.000 . 3.500 3.486 3.446 3.519 0.019 2 0 "[ . 1 . 2 .]" 1
930 1 67 THR HA 1 69 PHE H 0.000 . 5.000 4.320 4.250 4.395 . 0 0 "[ . 1 . 2 .]" 1
931 1 67 THR H 1 69 PHE H 0.000 . 5.000 3.997 3.887 4.096 . 0 0 "[ . 1 . 2 .]" 1
932 1 68 ASP HA 1 69 PHE H 0.000 . 3.500 3.541 3.534 3.551 0.051 4 0 "[ . 1 . 2 .]" 1
933 1 68 ASP QB 1 69 PHE H 0.000 . 2.700 2.616 2.540 2.687 . 0 0 "[ . 1 . 2 .]" 1
934 1 69 PHE H 1 69 PHE HB2 0.000 . 3.500 3.101 3.081 3.135 . 0 0 "[ . 1 . 2 .]" 1
935 1 69 PHE H 1 69 PHE HB3 0.000 . 2.700 2.129 2.111 2.146 . 0 0 "[ . 1 . 2 .]" 1
936 1 69 PHE H 1 69 PHE QD 0.000 . 3.500 3.609 3.591 3.632 0.132 21 0 "[ . 1 . 2 .]" 1
937 1 69 PHE H 1 70 GLY HA2 0.000 . 5.000 4.760 4.718 4.829 . 0 0 "[ . 1 . 2 .]" 1
938 1 69 PHE H 1 70 GLY H 0.000 . 3.500 2.441 2.395 2.520 . 0 0 "[ . 1 . 2 .]" 1
939 1 69 PHE H 1 71 ARG H 0.000 . 5.000 3.929 3.839 4.063 . 0 0 "[ . 1 . 2 .]" 1
940 1 69 PHE H 1 72 ALA MB 0.000 . 5.000 5.019 4.959 5.039 0.039 18 0 "[ . 1 . 2 .]" 1
941 1 53 ILE MG 1 70 GLY H 0.000 . 5.000 4.865 4.684 5.010 0.010 12 0 "[ . 1 . 2 .]" 1
942 1 66 PHE HA 1 70 GLY H 0.000 . 5.000 3.759 3.531 3.948 . 0 0 "[ . 1 . 2 .]" 1
943 1 68 ASP HA 1 70 GLY H 0.000 . 5.000 4.505 4.427 4.597 . 0 0 "[ . 1 . 2 .]" 1
944 1 69 PHE HA 1 70 GLY H 0.000 . 3.500 3.535 3.529 3.544 0.044 13 0 "[ . 1 . 2 .]" 1
945 1 69 PHE HB2 1 70 GLY H 0.000 . 5.000 4.158 4.108 4.189 . 0 0 "[ . 1 . 2 .]" 1
946 1 69 PHE HB3 1 70 GLY H 0.000 . 3.500 2.940 2.871 2.985 . 0 0 "[ . 1 . 2 .]" 1
947 1 69 PHE QD 1 70 GLY H 0.000 . 3.500 2.277 2.149 2.359 . 0 0 "[ . 1 . 2 .]" 1
948 1 70 GLY H 1 70 GLY HA2 0.000 . 2.700 2.348 2.346 2.350 . 0 0 "[ . 1 . 2 .]" 1
949 1 70 GLY H 1 71 ARG HG3 0.000 . 5.000 4.317 4.059 4.529 . 0 0 "[ . 1 . 2 .]" 1
950 1 67 THR MG 1 71 ARG HE 0.000 . 5.000 4.080 3.396 4.986 . 0 0 "[ . 1 . 2 .]" 1
951 1 68 ASP HA 1 71 ARG HE 0.000 . 5.000 2.398 1.872 5.023 0.023 14 0 "[ . 1 . 2 .]" 1
952 1 71 ARG HB3 1 71 ARG HE 0.000 . 3.500 2.965 2.358 3.206 . 0 0 "[ . 1 . 2 .]" 1
953 1 71 ARG HB2 1 71 ARG HE 0.000 . 3.500 2.114 1.869 3.509 0.009 25 0 "[ . 1 . 2 .]" 1
954 1 71 ARG HE 1 71 ARG HG3 0.000 . 3.500 2.795 2.579 3.578 0.078 13 0 "[ . 1 . 2 .]" 1
955 1 67 THR MG 1 71 ARG H 0.000 . 5.000 4.209 4.035 4.443 . 0 0 "[ . 1 . 2 .]" 1
956 1 68 ASP HA 1 71 ARG H 0.000 . 5.000 3.682 3.563 3.738 . 0 0 "[ . 1 . 2 .]" 1
957 1 69 PHE HA 1 71 ARG H 0.000 . 5.000 3.936 3.810 4.060 . 0 0 "[ . 1 . 2 .]" 1
958 1 69 PHE QD 1 71 ARG H 0.000 . 5.000 4.538 4.451 4.620 . 0 0 "[ . 1 . 2 .]" 1
959 1 70 GLY HA3 1 71 ARG H 0.000 . 5.000 3.508 3.487 3.533 . 0 0 "[ . 1 . 2 .]" 1
960 1 70 GLY HA2 1 71 ARG H 0.000 . 3.500 2.966 2.918 3.018 . 0 0 "[ . 1 . 2 .]" 1
961 1 70 GLY H 1 71 ARG H 0.000 . 3.500 2.676 2.639 2.708 . 0 0 "[ . 1 . 2 .]" 1
962 1 71 ARG H 1 71 ARG QB 0.000 . 2.700 2.416 2.320 2.532 . 0 0 "[ . 1 . 2 .]" 1
963 1 71 ARG H 1 71 ARG QD 0.000 . 5.000 4.138 3.445 4.412 . 0 0 "[ . 1 . 2 .]" 1
964 1 71 ARG H 1 71 ARG HG3 0.000 . 5.000 2.274 1.975 2.579 . 0 0 "[ . 1 . 2 .]" 1
965 1 71 ARG H 1 71 ARG HG2 0.000 . 5.000 3.464 3.336 3.662 . 0 0 "[ . 1 . 2 .]" 1
966 1 71 ARG H 1 72 ALA MB 0.000 . 5.000 4.126 4.070 4.265 . 0 0 "[ . 1 . 2 .]" 1
967 1 69 PHE HA 1 72 ALA H 0.000 . 5.000 3.194 3.150 3.273 . 0 0 "[ . 1 . 2 .]" 1
968 1 70 GLY HA3 1 72 ALA H 0.000 . 5.000 4.129 3.830 4.315 . 0 0 "[ . 1 . 2 .]" 1
969 1 70 GLY HA2 1 72 ALA H 0.000 . 5.000 4.626 4.415 4.789 . 0 0 "[ . 1 . 2 .]" 1
970 1 71 ARG HA 1 72 ALA H 0.000 . 3.500 3.509 3.455 3.529 0.029 19 0 "[ . 1 . 2 .]" 1
971 1 71 ARG QB 1 72 ALA H 0.000 . 3.500 2.734 2.623 2.946 . 0 0 "[ . 1 . 2 .]" 1
972 1 71 ARG HG2 1 72 ALA H 0.000 . 5.000 5.002 4.965 5.074 0.074 14 0 "[ . 1 . 2 .]" 1
973 1 71 ARG H 1 72 ALA H 0.000 . 3.500 2.517 2.458 2.591 . 0 0 "[ . 1 . 2 .]" 1
974 1 72 ALA H 1 72 ALA MB 0.000 . 2.700 2.065 2.039 2.285 . 0 0 "[ . 1 . 2 .]" 1
975 1 72 ALA H 1 73 ASN HD21 0.000 . 5.000 4.497 4.003 4.770 . 0 0 "[ . 1 . 2 .]" 1
976 1 72 ALA H 1 73 ASN H 0.000 . 2.700 2.525 2.388 2.579 . 0 0 "[ . 1 . 2 .]" 1
977 1 69 PHE HA 1 73 ASN HD21 0.000 . 5.000 4.639 3.649 4.999 . 0 0 "[ . 1 . 2 .]" 1
978 1 72 ALA MB 1 73 ASN HD21 0.000 . 3.500 2.988 2.370 3.366 . 0 0 "[ . 1 . 2 .]" 1
979 1 73 ASN HB3 1 73 ASN HD21 0.000 . 3.500 3.244 2.283 3.475 . 0 0 "[ . 1 . 2 .]" 1
980 1 73 ASN HB2 1 73 ASN HD21 0.000 . 3.500 2.458 2.247 3.509 0.009 24 0 "[ . 1 . 2 .]" 1
981 1 69 PHE HA 1 73 ASN HD22 0.000 . 5.000 4.750 3.862 5.002 0.002 10 0 "[ . 1 . 2 .]" 1
982 1 72 ALA MB 1 73 ASN HD22 0.000 . 3.500 2.609 2.246 3.478 . 0 0 "[ . 1 . 2 .]" 1
983 1 73 ASN HB2 1 73 ASN HD22 0.000 . 3.500 3.601 3.510 4.067 0.567 24 4 "[ - . * 1 . 2 +*]" 1
984 1 70 GLY HA3 1 73 ASN H 0.000 . 5.000 3.393 3.215 3.538 . 0 0 "[ . 1 . 2 .]" 1
985 1 70 GLY HA2 1 73 ASN H 0.000 . 5.000 4.522 4.300 4.650 . 0 0 "[ . 1 . 2 .]" 1
986 1 71 ARG HA 1 73 ASN H 0.000 . 5.000 3.806 3.675 4.023 . 0 0 "[ . 1 . 2 .]" 1
987 1 72 ALA HA 1 73 ASN H 0.000 . 3.500 3.441 3.322 3.481 . 0 0 "[ . 1 . 2 .]" 1
988 1 72 ALA MB 1 73 ASN H 0.000 . 3.500 3.026 2.940 3.276 . 0 0 "[ . 1 . 2 .]" 1
989 1 73 ASN H 1 73 ASN HB2 0.000 . 3.500 3.162 2.824 3.883 0.383 2 0 "[ . 1 . 2 .]" 1
990 1 73 ASN H 1 73 ASN HD21 0.000 . 3.500 3.371 3.127 3.505 0.005 14 0 "[ . 1 . 2 .]" 1
991 1 73 ASN H 1 73 ASN HD22 0.000 . 5.000 4.093 3.494 4.668 . 0 0 "[ . 1 . 2 .]" 1
992 1 74 ARG HA 1 74 ARG HE 0.000 . 5.000 4.715 3.916 5.010 0.010 18 0 "[ . 1 . 2 .]" 1
993 1 74 ARG QB 1 74 ARG HE 0.000 . 5.000 2.720 1.850 4.043 . 0 0 "[ . 1 . 2 .]" 1
994 1 72 ALA HA 1 74 ARG H 0.000 . 5.000 4.679 4.364 4.804 . 0 0 "[ . 1 . 2 .]" 1
995 1 72 ALA MB 1 74 ARG H 0.000 . 5.000 5.007 4.953 5.049 0.049 17 0 "[ . 1 . 2 .]" 1
996 1 72 ALA H 1 74 ARG H 0.000 . 5.000 4.724 4.607 4.911 . 0 0 "[ . 1 . 2 .]" 1
997 1 73 ASN HA 1 74 ARG H 0.000 . 2.700 2.653 2.593 2.751 0.051 14 0 "[ . 1 . 2 .]" 1
998 1 73 ASN HB3 1 74 ARG H 0.000 . 5.000 4.510 4.424 4.681 . 0 0 "[ . 1 . 2 .]" 1
999 1 73 ASN HB2 1 74 ARG H 0.000 . 5.000 4.329 4.280 4.407 . 0 0 "[ . 1 . 2 .]" 1
1000 1 73 ASN H 1 74 ARG H 0.000 . 3.500 2.787 2.513 3.009 . 0 0 "[ . 1 . 2 .]" 1
1001 1 74 ARG H 1 74 ARG QB 0.000 . 2.700 2.485 2.374 2.604 . 0 0 "[ . 1 . 2 .]" 1
1002 1 74 ARG H 1 74 ARG QD 0.000 . 5.000 3.892 3.489 4.353 . 0 0 "[ . 1 . 2 .]" 1
1003 1 74 ARG H 1 74 ARG QG 0.000 . 2.700 2.103 1.850 2.370 . 0 0 "[ . 1 . 2 .]" 1
1004 1 74 ARG H 1 75 GLY HA2 0.000 . 5.000 5.084 5.043 5.106 0.106 8 0 "[ . 1 . 2 .]" 1
1005 1 74 ARG H 1 75 GLY H 0.000 . 3.500 2.784 2.728 2.811 . 0 0 "[ . 1 . 2 .]" 1
1006 1 73 ASN HA 1 75 GLY H 0.000 . 5.000 3.391 3.058 3.685 . 0 0 "[ . 1 . 2 .]" 1
1007 1 73 ASN HB3 1 75 GLY H 0.000 . 5.000 4.610 3.909 5.518 0.518 24 1 "[ . 1 . 2 +.]" 1
1008 1 74 ARG HA 1 75 GLY H 0.000 . 3.500 3.526 3.454 3.553 0.053 16 0 "[ . 1 . 2 .]" 1
1009 1 74 ARG QB 1 75 GLY H 0.000 . 5.000 2.865 2.354 3.449 . 0 0 "[ . 1 . 2 .]" 1
1010 1 74 ARG HG3 1 75 GLY H 0.000 . 5.000 3.549 2.048 4.519 . 0 0 "[ . 1 . 2 .]" 1
1011 1 74 ARG HG2 1 75 GLY H 0.000 . 5.000 3.951 2.089 5.009 0.009 22 0 "[ . 1 . 2 .]" 1
1012 1 75 GLY H 1 75 GLY HA2 0.000 . 2.700 2.334 2.327 2.352 . 0 0 "[ . 1 . 2 .]" 1
1013 1 75 GLY H 1 76 LEU HB2 0.000 . 5.000 4.753 4.531 4.903 . 0 0 "[ . 1 . 2 .]" 1
1014 1 73 ASN HA 1 76 LEU H 0.000 . 5.000 3.649 3.430 3.813 . 0 0 "[ . 1 . 2 .]" 1
1015 1 73 ASN H 1 76 LEU H 0.000 . 5.000 5.014 4.970 5.095 0.095 14 0 "[ . 1 . 2 .]" 1
1016 1 74 ARG H 1 76 LEU H 0.000 . 5.000 4.072 3.875 4.225 . 0 0 "[ . 1 . 2 .]" 1
1017 1 75 GLY HA3 1 76 LEU H 0.000 . 3.500 3.488 3.443 3.518 0.018 25 0 "[ . 1 . 2 .]" 1
1018 1 75 GLY HA2 1 76 LEU H 0.000 . 3.500 3.004 2.926 3.081 . 0 0 "[ . 1 . 2 .]" 1
1019 1 75 GLY H 1 76 LEU H 0.000 . 3.500 2.656 2.422 2.739 . 0 0 "[ . 1 . 2 .]" 1
1020 1 76 LEU H 1 76 LEU HB2 0.000 . 2.700 2.330 2.223 2.401 . 0 0 "[ . 1 . 2 .]" 1
1021 1 76 LEU H 1 76 LEU QD 0.000 . 5.000 3.106 1.763 3.400 . 0 0 "[ . 1 . 2 .]" 1
1022 1 76 LEU H 1 76 LEU HG 0.000 . 3.500 2.703 2.357 3.548 0.048 10 0 "[ . 1 . 2 .]" 1
1023 1 76 LEU H 1 77 LEU H 0.000 . 2.700 2.583 2.463 2.701 0.001 8 0 "[ . 1 . 2 .]" 1
1024 1 76 LEU H 1 78 LYS H 0.000 . 5.000 3.922 3.666 4.164 . 0 0 "[ . 1 . 2 .]" 1
1025 1 74 ARG HA 1 77 LEU H 0.000 . 5.000 3.300 3.080 3.532 . 0 0 "[ . 1 . 2 .]" 1
1026 1 75 GLY HA3 1 77 LEU H 0.000 . 5.000 4.544 4.413 4.656 . 0 0 "[ . 1 . 2 .]" 1
1027 1 75 GLY HA2 1 77 LEU H 0.000 . 5.000 4.979 4.849 5.044 0.044 13 0 "[ . 1 . 2 .]" 1
1028 1 75 GLY H 1 77 LEU H 0.000 . 5.000 4.419 4.261 4.502 . 0 0 "[ . 1 . 2 .]" 1
1029 1 76 LEU HA 1 77 LEU H 0.000 . 3.500 3.553 3.548 3.560 0.060 8 0 "[ . 1 . 2 .]" 1
1030 1 76 LEU QB 1 77 LEU H 0.000 . 2.700 2.505 2.453 2.556 . 0 0 "[ . 1 . 2 .]" 1
1031 1 77 LEU H 1 77 LEU QB 0.000 . 2.700 2.516 2.299 2.708 0.008 5 0 "[ . 1 . 2 .]" 1
1032 1 77 LEU H 1 77 LEU QD 0.000 . 5.000 2.235 1.681 2.950 . 0 0 "[ . 1 . 2 .]" 1
1033 1 77 LEU H 1 77 LEU HG 0.000 . 3.500 2.652 1.861 3.663 0.163 19 0 "[ . 1 . 2 .]" 1
1034 1 75 GLY HA3 1 78 LYS H 0.000 . 5.000 3.491 3.324 3.694 . 0 0 "[ . 1 . 2 .]" 1
1035 1 75 GLY HA2 1 78 LYS H 0.000 . 5.000 4.715 4.477 4.949 . 0 0 "[ . 1 . 2 .]" 1
1036 1 77 LEU HA 1 78 LYS H 0.000 . 3.500 3.514 3.430 3.558 0.058 18 0 "[ . 1 . 2 .]" 1
1037 1 77 LEU HB3 1 78 LYS H 0.000 . 5.000 3.852 3.440 4.282 . 0 0 "[ . 1 . 2 .]" 1
1038 1 77 LEU HB2 1 78 LYS H 0.000 . 3.500 2.834 2.526 3.213 . 0 0 "[ . 1 . 2 .]" 1
1039 1 77 LEU QD 1 78 LYS H 0.000 . 5.000 3.800 2.985 4.175 . 0 0 "[ . 1 . 2 .]" 1
1040 1 77 LEU HG 1 78 LYS H 0.000 . 5.000 4.493 3.917 5.020 0.020 8 0 "[ . 1 . 2 .]" 1
1041 1 77 LEU H 1 78 LYS H 0.000 . 2.700 2.663 2.560 2.729 0.029 6 0 "[ . 1 . 2 .]" 1
1042 1 78 LYS H 1 78 LYS QB 0.000 . 2.700 2.426 2.347 2.509 . 0 0 "[ . 1 . 2 .]" 1
1043 1 78 LYS H 1 78 LYS QD 0.000 . 5.000 4.162 3.490 4.449 . 0 0 "[ . 1 . 2 .]" 1
1044 1 78 LYS H 1 78 LYS HG3 0.000 . 3.500 2.405 2.022 3.369 . 0 0 "[ . 1 . 2 .]" 1
1045 1 78 LYS H 1 78 LYS HG2 0.000 . 3.500 3.231 2.170 3.496 . 0 0 "[ . 1 . 2 .]" 1
1046 1 78 LYS H 1 79 ASP QB 0.000 . 5.000 4.354 4.176 4.511 . 0 0 "[ . 1 . 2 .]" 1
1047 1 78 LYS H 1 79 ASP H 0.000 . 2.700 2.530 2.371 2.704 0.004 14 0 "[ . 1 . 2 .]" 1
1048 1 78 LYS H 1 80 VAL QG 0.000 . 5.000 4.469 3.955 4.903 . 0 0 "[ . 1 . 2 .]" 1
1049 1 75 GLY HA3 1 79 ASP H 0.000 . 5.000 4.541 4.015 4.913 . 0 0 "[ . 1 . 2 .]" 1
1050 1 76 LEU HA 1 79 ASP H 0.000 . 3.500 3.464 3.254 3.522 0.022 20 0 "[ . 1 . 2 .]" 1
1051 1 77 LEU QD 1 79 ASP H 0.000 . 5.000 4.722 4.421 4.862 . 0 0 "[ . 1 . 2 .]" 1
1052 1 78 LYS HA 1 79 ASP H 0.000 . 3.500 3.493 3.443 3.535 0.035 6 0 "[ . 1 . 2 .]" 1
1053 1 78 LYS QB 1 79 ASP H 0.000 . 3.500 2.898 2.587 3.532 0.032 13 0 "[ . 1 . 2 .]" 1
1054 1 78 LYS QE 1 79 ASP H 0.000 . 5.000 4.691 3.866 5.028 0.028 14 0 "[ . 1 . 2 .]" 1
1055 1 78 LYS HG3 1 79 ASP H 0.000 . 5.000 4.253 2.387 4.553 . 0 0 "[ . 1 . 2 .]" 1
1056 1 78 LYS HG2 1 79 ASP H 0.000 . 5.000 4.761 2.426 5.015 0.015 14 0 "[ . 1 . 2 .]" 1
1057 1 79 ASP H 1 79 ASP QB 0.000 . 2.700 2.237 2.121 2.328 . 0 0 "[ . 1 . 2 .]" 1
1058 1 79 ASP H 1 80 VAL QG 0.000 . 5.000 3.788 3.627 4.223 . 0 0 "[ . 1 . 2 .]" 1
1059 1 79 ASP H 1 80 VAL H 0.000 . 2.700 2.441 2.309 2.629 . 0 0 "[ . 1 . 2 .]" 1
1060 1 79 ASP H 1 81 ALA MB 0.000 . 5.000 4.479 4.267 4.890 . 0 0 "[ . 1 . 2 .]" 1
1061 1 77 LEU HA 1 80 VAL H 0.000 . 3.500 3.409 3.137 3.534 0.034 21 0 "[ . 1 . 2 .]" 1
1062 1 77 LEU QD 1 80 VAL H 0.000 . 5.000 4.390 4.191 4.738 . 0 0 "[ . 1 . 2 .]" 1
1063 1 79 ASP HA 1 80 VAL H 0.000 . 3.500 3.547 3.519 3.573 0.073 12 0 "[ . 1 . 2 .]" 1
1064 1 79 ASP QB 1 80 VAL H 0.000 . 3.500 2.565 2.364 2.800 . 0 0 "[ . 1 . 2 .]" 1
1065 1 80 VAL H 1 80 VAL HB 0.000 . 3.500 2.430 2.234 2.718 . 0 0 "[ . 1 . 2 .]" 1
1066 1 80 VAL H 1 80 VAL QG 0.000 . 2.700 2.299 1.982 2.624 . 0 0 "[ . 1 . 2 .]" 1
1067 1 80 VAL H 1 81 ALA MB 0.000 . 5.000 4.180 3.902 4.341 . 0 0 "[ . 1 . 2 .]" 1
1068 1 80 VAL H 1 82 LYS H 0.000 . 5.000 4.148 3.903 4.408 . 0 0 "[ . 1 . 2 .]" 1
1069 1 77 LEU QB 1 81 ALA H 0.000 . 5.000 4.446 4.209 4.695 . 0 0 "[ . 1 . 2 .]" 1
1070 1 77 LEU QD 1 81 ALA H 0.000 . 5.000 4.618 3.947 4.842 . 0 0 "[ . 1 . 2 .]" 1
1071 1 78 LYS HA 1 81 ALA H 0.000 . 5.000 3.757 3.274 4.246 . 0 0 "[ . 1 . 2 .]" 1
1072 1 79 ASP HA 1 81 ALA H 0.000 . 5.000 4.487 4.310 4.695 . 0 0 "[ . 1 . 2 .]" 1
1073 1 79 ASP QB 1 81 ALA H 0.000 . 5.000 4.638 4.546 4.759 . 0 0 "[ . 1 . 2 .]" 1
1074 1 79 ASP H 1 81 ALA H 0.000 . 5.000 3.831 3.638 4.010 . 0 0 "[ . 1 . 2 .]" 1
1075 1 80 VAL HA 1 81 ALA H 0.000 . 3.500 3.527 3.495 3.550 0.050 15 0 "[ . 1 . 2 .]" 1
1076 1 80 VAL HB 1 81 ALA H 0.000 . 3.500 3.266 2.558 3.621 0.121 6 0 "[ . 1 . 2 .]" 1
1077 1 80 VAL QG 1 81 ALA H 0.000 . 5.000 2.412 1.757 3.389 . 0 0 "[ . 1 . 2 .]" 1
1078 1 80 VAL H 1 81 ALA H 0.000 . 2.700 2.560 2.269 2.719 0.019 5 0 "[ . 1 . 2 .]" 1
1079 1 81 ALA H 1 81 ALA MB 0.000 . 2.700 2.170 2.051 2.264 . 0 0 "[ . 1 . 2 .]" 1
1080 1 81 ALA H 1 82 LYS QB 0.000 . 5.000 4.848 4.580 5.011 0.011 5 0 "[ . 1 . 2 .]" 1
1081 1 81 ALA H 1 82 LYS H 0.000 . 3.500 2.800 2.613 2.913 . 0 0 "[ . 1 . 2 .]" 1
1082 1 81 ALA H 1 83 ILE H 0.000 . 5.000 4.127 3.984 4.583 . 0 0 "[ . 1 . 2 .]" 1
1083 1 79 ASP HA 1 82 LYS H 0.000 . 5.000 3.757 3.489 4.119 . 0 0 "[ . 1 . 2 .]" 1
1084 1 80 VAL HA 1 82 LYS H 0.000 . 5.000 4.019 3.545 4.426 . 0 0 "[ . 1 . 2 .]" 1
1085 1 80 VAL QG 1 82 LYS H 0.000 . 5.000 4.108 3.757 4.660 . 0 0 "[ . 1 . 2 .]" 1
1086 1 81 ALA HA 1 82 LYS H 0.000 . 3.500 3.514 3.339 3.566 0.066 16 0 "[ . 1 . 2 .]" 1
1087 1 81 ALA MB 1 82 LYS H 0.000 . 3.500 2.716 2.443 3.225 . 0 0 "[ . 1 . 2 .]" 1
1088 1 82 LYS H 1 82 LYS QB 0.000 . 2.700 2.457 2.251 2.629 . 0 0 "[ . 1 . 2 .]" 1
1089 1 82 LYS H 1 82 LYS QD 0.000 . 5.000 3.959 3.484 4.296 . 0 0 "[ . 1 . 2 .]" 1
1090 1 82 LYS H 1 82 LYS HG3 0.000 . 3.500 2.382 1.983 3.343 . 0 0 "[ . 1 . 2 .]" 1
1091 1 82 LYS H 1 82 LYS HG2 0.000 . 3.500 3.233 1.947 3.509 0.009 12 0 "[ . 1 . 2 .]" 1
1092 1 82 LYS H 1 83 ILE HB 0.000 . 5.000 4.770 4.295 5.019 0.019 16 0 "[ . 1 . 2 .]" 1
1093 1 82 LYS H 1 83 ILE HG12 0.000 . 5.000 5.187 4.180 5.828 0.828 13 7 "[ * . 1* +** -* 2 .]" 1
1094 1 80 VAL HA 1 83 ILE H 0.000 . 5.000 3.184 2.952 3.845 . 0 0 "[ . 1 . 2 .]" 1
1095 1 80 VAL QG 1 83 ILE H 0.000 . 5.000 3.813 3.708 4.262 . 0 0 "[ . 1 . 2 .]" 1
1096 1 81 ALA HA 1 83 ILE H 0.000 . 5.000 4.137 3.969 4.449 . 0 0 "[ . 1 . 2 .]" 1
1097 1 82 LYS HA 1 83 ILE H 0.000 . 3.500 3.498 3.470 3.527 0.027 14 0 "[ . 1 . 2 .]" 1
1098 1 82 LYS QB 1 83 ILE H 0.000 . 3.500 2.852 2.701 3.506 0.006 8 0 "[ . 1 . 2 .]" 1
1099 1 82 LYS HG3 1 83 ILE H 0.000 . 5.000 4.306 2.529 4.972 . 0 0 "[ . 1 . 2 .]" 1
1100 1 82 LYS HG2 1 83 ILE H 0.000 . 5.000 4.820 2.307 5.021 0.021 15 0 "[ . 1 . 2 .]" 1
1101 1 82 LYS H 1 83 ILE H 0.000 . 2.700 2.490 2.139 2.698 . 0 0 "[ . 1 . 2 .]" 1
1102 1 83 ILE H 1 83 ILE HB 0.000 . 3.500 2.538 2.400 2.638 . 0 0 "[ . 1 . 2 .]" 1
1103 1 83 ILE H 1 83 ILE MD 0.000 . 5.000 3.681 3.540 3.782 . 0 0 "[ . 1 . 2 .]" 1
1104 1 83 ILE H 1 83 ILE HG13 0.000 . 3.500 2.172 1.934 3.512 0.012 23 0 "[ . 1 . 2 .]" 1
1105 1 83 ILE H 1 83 ILE HG12 0.000 . 3.500 3.104 2.216 3.515 0.015 14 0 "[ . 1 . 2 .]" 1
1106 1 83 ILE H 1 84 PHE HB2 0.000 . 5.000 4.973 4.747 5.036 0.036 4 0 "[ . 1 . 2 .]" 1
1107 1 83 ILE H 1 84 PHE QD 0.000 . 5.000 3.732 3.162 3.977 . 0 0 "[ . 1 . 2 .]" 1
1108 1 80 VAL QG 1 84 PHE H 0.000 . 5.000 4.016 3.606 4.446 . 0 0 "[ . 1 . 2 .]" 1
1109 1 81 ALA MB 1 84 PHE H 0.000 . 5.000 4.745 4.400 5.022 0.022 1 0 "[ . 1 . 2 .]" 1
1110 1 82 LYS HA 1 84 PHE H 0.000 . 5.000 4.164 3.819 4.526 . 0 0 "[ . 1 . 2 .]" 1
1111 1 82 LYS QB 1 84 PHE H 0.000 . 5.000 4.800 4.577 5.016 0.016 16 0 "[ . 1 . 2 .]" 1
1112 1 82 LYS H 1 84 PHE H 0.000 . 5.000 4.247 3.874 4.542 . 0 0 "[ . 1 . 2 .]" 1
1113 1 83 ILE HA 1 84 PHE H 0.000 . 3.500 3.533 3.507 3.559 0.059 19 0 "[ . 1 . 2 .]" 1
1114 1 83 ILE HB 1 84 PHE H 0.000 . 3.500 2.638 2.380 2.841 . 0 0 "[ . 1 . 2 .]" 1
1115 1 83 ILE MD 1 84 PHE H 0.000 . 5.000 4.656 4.450 4.866 . 0 0 "[ . 1 . 2 .]" 1
1116 1 83 ILE HG13 1 84 PHE H 0.000 . 5.000 4.219 3.936 4.952 . 0 0 "[ . 1 . 2 .]" 1
1117 1 83 ILE HG12 1 84 PHE H 0.000 . 5.000 4.833 4.322 5.032 0.032 18 0 "[ . 1 . 2 .]" 1
1118 1 83 ILE MG 1 84 PHE H 0.000 . 3.500 3.518 3.490 3.532 0.032 4 0 "[ . 1 . 2 .]" 1
1119 1 83 ILE H 1 84 PHE H 0.000 . 2.700 2.678 2.451 2.728 0.028 12 0 "[ . 1 . 2 .]" 1
1120 1 84 PHE H 1 84 PHE HB2 0.000 . 2.700 2.480 2.390 2.590 . 0 0 "[ . 1 . 2 .]" 1
1121 1 84 PHE H 1 84 PHE QD 0.000 . 3.500 2.133 1.855 2.389 . 0 0 "[ . 1 . 2 .]" 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 8
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.275
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0055
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 THR 0.001 0.001 19 0 "[ . 1 . 2 .]"
1 41 ILE 0.010 0.010 22 0 "[ . 1 . 2 .]"
1 49 MET 0.010 0.010 22 0 "[ . 1 . 2 .]"
1 83 ILE 0.001 0.001 19 0 "[ . 1 . 2 .]"
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 HIS HA 1 5 PRO QG 0.000 . 5.000 4.180 4.026 4.258 . 0 0 "[ . 1 . 2 .]" 2
2 1 4 HIS HA 1 5 PRO QD 0.000 . 2.700 2.267 2.127 2.338 . 0 0 "[ . 1 . 2 .]" 2
3 1 36 LYS HA 1 41 ILE MG 0.000 . 5.000 2.874 2.742 3.093 . 0 0 "[ . 1 . 2 .]" 2
4 1 37 THR HB 1 83 ILE MD 0.000 . 5.000 4.652 3.866 5.001 0.001 19 0 "[ . 1 . 2 .]" 2
5 1 37 THR MG 1 83 ILE MD 0.000 . 5.000 2.248 1.779 2.635 . 0 0 "[ . 1 . 2 .]" 2
6 1 41 ILE MG 1 49 MET ME 0.000 . 5.000 4.719 4.312 4.900 . 0 0 "[ . 1 . 2 .]" 2
7 1 41 ILE MD 1 49 MET HG3 0.000 . 5.000 4.565 4.157 5.010 0.010 22 0 "[ . 1 . 2 .]" 2
8 1 41 ILE MD 1 49 MET ME 0.000 . 5.000 2.567 2.194 3.724 . 0 0 "[ . 1 . 2 .]" 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 148
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 383.983
_Distance_constraint_stats_list.Viol_max 0.367
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0517
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 HIS 0.213 0.028 14 0 "[ . 1 . 2 .]"
1 5 PRO 0.087 0.028 14 0 "[ . 1 . 2 .]"
1 6 GLN 0.126 0.026 11 0 "[ . 1 . 2 .]"
1 8 LYS 6.778 0.367 25 0 "[ . 1 . 2 .]"
1 11 ARG 0.101 0.026 15 0 "[ . 1 . 2 .]"
1 12 GLU 0.569 0.340 19 0 "[ . 1 . 2 .]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 PHE 0.975 0.052 7 0 "[ . 1 . 2 .]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 PHE 0.024 0.010 21 0 "[ . 1 . 2 .]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 LYS 2.249 0.092 23 0 "[ . 1 . 2 .]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 SER 0.487 0.038 2 0 "[ . 1 . 2 .]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 THR 0.015 0.006 9 0 "[ . 1 . 2 .]"
1 48 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 ILE 0.672 0.030 25 0 "[ . 1 . 2 .]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 PHE 2.735 0.092 23 0 "[ . 1 . 2 .]"
1 61 ILE 0.002 0.002 24 0 "[ . 1 . 2 .]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 PHE 9.567 0.367 25 0 "[ . 1 . 2 .]"
1 64 GLN 1.246 0.060 19 0 "[ . 1 . 2 .]"
1 66 PHE 0.125 0.026 15 0 "[ . 1 . 2 .]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 PHE 2.525 0.090 9 0 "[ . 1 . 2 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 ALA 0.123 0.021 4 0 "[ . 1 . 2 .]"
1 83 ILE 0.054 0.012 8 0 "[ . 1 . 2 .]"
1 84 PHE 0.192 0.021 4 0 "[ . 1 . 2 .]"
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 HIS HA 1 4 HIS HD2 0.000 . 5.000 3.846 2.352 4.580 . 0 0 "[ . 1 . 2 .]" 3
2 1 4 HIS QB 1 4 HIS HD2 0.000 . 3.500 2.885 2.681 3.200 . 0 0 "[ . 1 . 2 .]" 3
3 1 4 HIS HD2 1 5 PRO QD 0.000 . 5.000 4.536 2.919 5.028 0.028 14 0 "[ . 1 . 2 .]" 3
4 1 4 HIS HE1 1 6 GLN HB2 0.000 . 5.000 4.522 3.765 5.026 0.026 11 0 "[ . 1 . 2 .]" 3
5 1 12 GLU HA 1 15 PHE QD 0.000 . 5.000 4.216 4.141 4.321 . 0 0 "[ . 1 . 2 .]" 3
6 1 15 PHE HA 1 15 PHE QD 0.000 . 3.500 2.866 2.797 2.942 . 0 0 "[ . 1 . 2 .]" 3
7 1 15 PHE HB3 1 15 PHE QD 0.000 . 2.700 2.425 2.398 2.456 . 0 0 "[ . 1 . 2 .]" 3
8 1 15 PHE HB2 1 15 PHE QD 0.000 . 2.700 2.407 2.378 2.433 . 0 0 "[ . 1 . 2 .]" 3
9 1 15 PHE QD 1 16 LYS HA 0.000 . 5.000 3.094 3.002 3.191 . 0 0 "[ . 1 . 2 .]" 3
10 1 15 PHE QD 1 16 LYS QB 0.000 . 5.000 4.548 4.518 4.584 . 0 0 "[ . 1 . 2 .]" 3
11 1 15 PHE QD 1 16 LYS QG 0.000 . 5.000 3.232 3.126 3.333 . 0 0 "[ . 1 . 2 .]" 3
12 1 15 PHE QD 1 26 ILE HG13 0.000 . 5.000 4.442 4.358 4.529 . 0 0 "[ . 1 . 2 .]" 3
13 1 15 PHE QD 1 26 ILE MD 0.000 . 3.500 2.798 2.666 2.904 . 0 0 "[ . 1 . 2 .]" 3
14 1 15 PHE QD 1 61 ILE MG 0.000 . 5.000 3.863 3.731 3.985 . 0 0 "[ . 1 . 2 .]" 3
15 1 15 PHE QD 1 63 PHE HA 0.000 . 5.000 2.963 2.842 3.082 . 0 0 "[ . 1 . 2 .]" 3
16 1 15 PHE QD 1 66 PHE HB3 0.000 . 5.000 2.233 2.134 2.349 . 0 0 "[ . 1 . 2 .]" 3
17 1 15 PHE QD 1 66 PHE HB2 0.000 . 5.000 2.088 1.977 2.232 . 0 0 "[ . 1 . 2 .]" 3
18 1 15 PHE QD 1 66 PHE QE 0.000 . 5.000 4.228 4.053 4.380 . 0 0 "[ . 1 . 2 .]" 3
19 1 15 PHE QE 1 19 ASP HB3 0.000 . 5.000 4.434 4.177 4.644 . 0 0 "[ . 1 . 2 .]" 3
20 1 15 PHE QE 1 24 GLY HA3 0.000 . 5.000 2.929 2.778 3.144 . 0 0 "[ . 1 . 2 .]" 3
21 1 15 PHE QE 1 24 GLY HA2 0.000 . 5.000 4.511 4.392 4.692 . 0 0 "[ . 1 . 2 .]" 3
22 1 15 PHE QE 1 25 LYS HA 0.000 . 5.000 4.202 4.098 4.274 . 0 0 "[ . 1 . 2 .]" 3
23 1 15 PHE QE 1 26 ILE HG13 0.000 . 5.000 2.824 2.683 2.963 . 0 0 "[ . 1 . 2 .]" 3
24 1 15 PHE QE 1 26 ILE HG12 0.000 . 5.000 3.792 3.675 3.893 . 0 0 "[ . 1 . 2 .]" 3
25 1 15 PHE QE 1 26 ILE MD 0.000 . 2.700 2.248 2.081 2.388 . 0 0 "[ . 1 . 2 .]" 3
26 1 15 PHE QE 1 61 ILE MG 0.000 . 2.700 2.603 2.412 2.702 0.002 24 0 "[ . 1 . 2 .]" 3
27 1 15 PHE QE 1 62 SER HA 0.000 . 5.000 3.324 3.238 3.421 . 0 0 "[ . 1 . 2 .]" 3
28 1 15 PHE QE 1 63 PHE HA 0.000 . 3.500 3.171 3.017 3.262 . 0 0 "[ . 1 . 2 .]" 3
29 1 15 PHE QE 1 63 PHE HB3 0.000 . 5.000 4.560 4.440 4.730 . 0 0 "[ . 1 . 2 .]" 3
30 1 15 PHE QE 1 63 PHE HB2 0.000 . 5.000 3.206 3.070 3.412 . 0 0 "[ . 1 . 2 .]" 3
31 1 15 PHE HZ 1 25 LYS HA 0.000 . 3.500 2.984 2.840 3.116 . 0 0 "[ . 1 . 2 .]" 3
32 1 15 PHE HZ 1 26 ILE MD 0.000 . 5.000 3.234 3.144 3.313 . 0 0 "[ . 1 . 2 .]" 3
33 1 15 PHE HZ 1 62 SER HA 0.000 . 5.000 2.177 2.016 2.350 . 0 0 "[ . 1 . 2 .]" 3
34 1 15 PHE HA 1 18 PHE QD 0.000 . 2.700 2.203 2.025 2.414 . 0 0 "[ . 1 . 2 .]" 3
35 1 18 PHE HB2 1 18 PHE QD 0.000 . 2.700 2.331 2.311 2.372 . 0 0 "[ . 1 . 2 .]" 3
36 1 14 ILE MG 1 18 PHE QD 0.000 . 3.500 2.768 2.553 3.003 . 0 0 "[ . 1 . 2 .]" 3
37 1 18 PHE QD 1 26 ILE MG 0.000 . 3.500 3.236 2.996 3.363 . 0 0 "[ . 1 . 2 .]" 3
38 1 18 PHE QD 1 31 LEU HA 0.000 . 3.500 2.045 1.874 2.311 . 0 0 "[ . 1 . 2 .]" 3
39 1 18 PHE QD 1 31 LEU HG 0.000 . 5.000 3.569 2.707 4.682 . 0 0 "[ . 1 . 2 .]" 3
40 1 18 PHE QD 1 31 LEU QD 0.000 . 5.000 2.785 1.965 3.709 . 0 0 "[ . 1 . 2 .]" 3
41 1 18 PHE QD 1 34 ALA MB 0.000 . 2.700 2.033 1.826 2.346 . 0 0 "[ . 1 . 2 .]" 3
42 1 18 PHE QD 1 80 VAL QG 0.000 . 5.000 4.462 4.113 4.811 . 0 0 "[ . 1 . 2 .]" 3
43 1 14 ILE HB 1 18 PHE QE 0.000 . 5.000 4.210 3.919 4.366 . 0 0 "[ . 1 . 2 .]" 3
44 1 14 ILE MG 1 18 PHE QE 0.000 . 3.500 1.843 1.731 1.926 . 0 0 "[ . 1 . 2 .]" 3
45 1 14 ILE MD 1 18 PHE QE 0.000 . 5.000 4.653 4.480 4.825 . 0 0 "[ . 1 . 2 .]" 3
46 1 18 PHE HA 1 18 PHE QE 0.000 . 5.000 4.345 4.266 4.430 . 0 0 "[ . 1 . 2 .]" 3
47 1 18 PHE QE 1 31 LEU QD 0.000 . 5.000 2.485 1.830 3.286 . 0 0 "[ . 1 . 2 .]" 3
48 1 18 PHE QE 1 34 ALA MB 0.000 . 3.500 2.416 2.069 2.634 . 0 0 "[ . 1 . 2 .]" 3
49 1 18 PHE QE 1 35 LEU MD2 0.000 . 5.000 3.192 2.547 4.069 . 0 0 "[ . 1 . 2 .]" 3
50 1 18 PHE QE 1 66 PHE QE 0.000 . 3.500 3.372 3.114 3.510 0.010 21 0 "[ . 1 . 2 .]" 3
51 1 18 PHE QE 1 80 VAL QG 0.000 . 3.500 2.808 2.346 3.224 . 0 0 "[ . 1 . 2 .]" 3
52 1 48 HIS HA 1 48 HIS HD2 0.000 . 5.000 2.699 2.308 3.611 . 0 0 "[ . 1 . 2 .]" 3
53 1 48 HIS HD2 1 51 ALA MB 0.000 . 5.000 3.149 2.527 4.367 . 0 0 "[ . 1 . 2 .]" 3
54 1 25 LYS HB3 1 60 PHE QD 0.000 . 5.000 4.571 4.487 4.638 . 0 0 "[ . 1 . 2 .]" 3
55 1 25 LYS HB2 1 60 PHE QD 0.000 . 5.000 3.435 3.368 3.454 . 0 0 "[ . 1 . 2 .]" 3
56 1 25 LYS HG3 1 60 PHE QD 0.000 . 3.500 3.515 3.509 3.526 0.026 15 0 "[ . 1 . 2 .]" 3
57 1 25 LYS QD 1 60 PHE QD 0.000 . 5.000 2.655 2.409 2.782 . 0 0 "[ . 1 . 2 .]" 3
58 1 25 LYS QE 1 60 PHE QD 0.000 . 5.000 3.334 2.772 3.686 . 0 0 "[ . 1 . 2 .]" 3
59 1 26 ILE HA 1 60 PHE QD 0.000 . 5.000 3.982 3.833 4.126 . 0 0 "[ . 1 . 2 .]" 3
60 1 27 SER HA 1 60 PHE QD 0.000 . 2.700 2.271 2.139 2.471 . 0 0 "[ . 1 . 2 .]" 3
61 1 27 SER HB2 1 60 PHE QD 0.000 . 5.000 3.020 2.919 3.173 . 0 0 "[ . 1 . 2 .]" 3
62 1 27 SER HB3 1 60 PHE QD 0.000 . 3.500 2.164 2.093 2.275 . 0 0 "[ . 1 . 2 .]" 3
63 1 59 GLY HA2 1 60 PHE QD 0.000 . 5.000 3.878 3.530 4.107 . 0 0 "[ . 1 . 2 .]" 3
64 1 60 PHE HA 1 60 PHE QD 0.000 . 3.500 2.795 2.626 3.008 . 0 0 "[ . 1 . 2 .]" 3
65 1 60 PHE HB2 1 60 PHE QD 0.000 . 2.700 2.375 2.329 2.455 . 0 0 "[ . 1 . 2 .]" 3
66 1 60 PHE HB3 1 60 PHE QD 0.000 . 2.700 2.447 2.367 2.519 . 0 0 "[ . 1 . 2 .]" 3
67 1 25 LYS HB2 1 60 PHE QE 0.000 . 5.000 5.075 5.052 5.092 0.092 23 0 "[ . 1 . 2 .]" 3
68 1 25 LYS HG3 1 60 PHE QE 0.000 . 5.000 4.633 4.568 4.711 . 0 0 "[ . 1 . 2 .]" 3
69 1 25 LYS QD 1 60 PHE QE 0.000 . 5.000 3.426 3.013 3.554 . 0 0 "[ . 1 . 2 .]" 3
70 1 25 LYS QE 1 60 PHE QE 0.000 . 3.500 2.991 2.571 3.448 . 0 0 "[ . 1 . 2 .]" 3
71 1 27 SER HA 1 60 PHE QE 0.000 . 3.500 3.519 3.484 3.538 0.038 2 0 "[ . 1 . 2 .]" 3
72 1 27 SER HB2 1 60 PHE QE 0.000 . 3.500 2.239 2.186 2.309 . 0 0 "[ . 1 . 2 .]" 3
73 1 27 SER HB3 1 60 PHE QE 0.000 . 2.700 1.863 1.855 1.873 . 0 0 "[ . 1 . 2 .]" 3
74 1 58 ASP HB2 1 60 PHE QE 0.000 . 5.000 4.286 4.084 4.533 . 0 0 "[ . 1 . 2 .]" 3
75 1 60 PHE HA 1 60 PHE QE 0.000 . 5.000 4.658 4.601 4.720 . 0 0 "[ . 1 . 2 .]" 3
76 1 60 PHE HB2 1 60 PHE QE 0.000 . 5.000 4.431 4.417 4.455 . 0 0 "[ . 1 . 2 .]" 3
77 1 60 PHE HB3 1 60 PHE QE 0.000 . 5.000 4.447 4.426 4.469 . 0 0 "[ . 1 . 2 .]" 3
78 1 12 GLU HA 1 63 PHE QD 0.000 . 5.000 3.327 3.217 3.465 . 0 0 "[ . 1 . 2 .]" 3
79 1 15 PHE HB3 1 63 PHE QD 0.000 . 5.000 2.166 2.091 2.251 . 0 0 "[ . 1 . 2 .]" 3
80 1 15 PHE HB2 1 63 PHE QD 0.000 . 5.000 2.291 2.219 2.398 . 0 0 "[ . 1 . 2 .]" 3
81 1 15 PHE QD 1 63 PHE QD 0.000 . 5.000 2.879 2.842 2.940 . 0 0 "[ . 1 . 2 .]" 3
82 1 63 PHE HA 1 63 PHE QD 0.000 . 3.500 2.100 2.068 2.135 . 0 0 "[ . 1 . 2 .]" 3
83 1 63 PHE QD 1 66 PHE QD 0.000 . 5.000 3.873 3.354 4.183 . 0 0 "[ . 1 . 2 .]" 3
84 1 8 LYS HG3 1 63 PHE QE 0.000 . 5.000 5.190 4.964 5.367 0.367 25 0 "[ . 1 . 2 .]" 3
85 1 8 LYS QE 1 63 PHE QE 0.000 . 5.000 3.652 2.135 4.067 . 0 0 "[ . 1 . 2 .]" 3
86 1 11 ARG HA 1 63 PHE QE 0.000 . 5.000 3.767 3.662 3.846 . 0 0 "[ . 1 . 2 .]" 3
87 1 11 ARG HB2 1 63 PHE QE 0.000 . 5.000 3.183 3.001 3.336 . 0 0 "[ . 1 . 2 .]" 3
88 1 11 ARG HB3 1 63 PHE QE 0.000 . 3.500 2.441 2.261 2.583 . 0 0 "[ . 1 . 2 .]" 3
89 1 11 ARG HG2 1 63 PHE QE 0.000 . 5.000 4.802 4.609 4.938 . 0 0 "[ . 1 . 2 .]" 3
90 1 12 GLU HA 1 63 PHE QE 0.000 . 2.700 2.253 2.100 2.393 . 0 0 "[ . 1 . 2 .]" 3
91 1 12 GLU HG3 1 63 PHE QE 0.000 . 5.000 2.880 2.641 5.230 0.230 19 0 "[ . 1 . 2 .]" 3
92 1 15 PHE HB3 1 63 PHE QE 0.000 . 3.500 2.843 2.792 2.920 . 0 0 "[ . 1 . 2 .]" 3
93 1 15 PHE HB2 1 63 PHE QE 0.000 . 5.000 2.845 2.748 2.947 . 0 0 "[ . 1 . 2 .]" 3
94 1 15 PHE QD 1 63 PHE QE 0.000 . 5.000 4.320 4.264 4.347 . 0 0 "[ . 1 . 2 .]" 3
95 1 63 PHE HA 1 63 PHE QE 0.000 . 5.000 4.270 4.253 4.297 . 0 0 "[ . 1 . 2 .]" 3
96 1 63 PHE HB3 1 63 PHE QE 0.000 . 5.000 4.417 4.415 4.419 . 0 0 "[ . 1 . 2 .]" 3
97 1 63 PHE QE 1 64 GLN HA 0.000 . 5.000 5.050 5.039 5.060 0.060 19 0 "[ . 1 . 2 .]" 3
98 1 8 LYS HG3 1 63 PHE HZ 0.000 . 5.000 5.078 4.965 5.186 0.186 8 0 "[ . 1 . 2 .]" 3
99 1 8 LYS QE 1 63 PHE HZ 0.000 . 5.000 4.661 3.198 4.967 . 0 0 "[ . 1 . 2 .]" 3
100 1 11 ARG HB2 1 63 PHE HZ 0.000 . 5.000 2.602 2.464 2.722 . 0 0 "[ . 1 . 2 .]" 3
101 1 11 ARG HB3 1 63 PHE HZ 0.000 . 3.500 3.100 2.940 3.253 . 0 0 "[ . 1 . 2 .]" 3
102 1 12 GLU HA 1 63 PHE HZ 0.000 . 3.500 3.250 3.177 3.348 . 0 0 "[ . 1 . 2 .]" 3
103 1 12 GLU HB2 1 63 PHE HZ 0.000 . 5.000 3.851 3.599 4.169 . 0 0 "[ . 1 . 2 .]" 3
104 1 12 GLU HG3 1 63 PHE HZ 0.000 . 5.000 2.149 1.884 5.340 0.340 19 0 "[ . 1 . 2 .]" 3
105 1 15 PHE HB3 1 63 PHE HZ 0.000 . 5.000 5.039 5.030 5.052 0.052 7 0 "[ . 1 . 2 .]" 3
106 1 11 ARG HB2 1 66 PHE QD 0.000 . 5.000 4.965 4.786 5.026 0.026 15 0 "[ . 1 . 2 .]" 3
107 1 11 ARG HB3 1 66 PHE QD 0.000 . 3.500 3.231 3.062 3.304 . 0 0 "[ . 1 . 2 .]" 3
108 1 53 ILE MG 1 66 PHE QD 0.000 . 5.000 3.305 3.032 3.577 . 0 0 "[ . 1 . 2 .]" 3
109 1 66 PHE HA 1 66 PHE QD 0.000 . 3.500 2.919 2.756 3.067 . 0 0 "[ . 1 . 2 .]" 3
110 1 66 PHE HB3 1 66 PHE QD 0.000 . 2.700 2.428 2.370 2.496 . 0 0 "[ . 1 . 2 .]" 3
111 1 66 PHE HB2 1 66 PHE QD 0.000 . 2.700 2.400 2.348 2.459 . 0 0 "[ . 1 . 2 .]" 3
112 1 66 PHE QD 1 67 THR HA 0.000 . 5.000 3.076 2.859 3.277 . 0 0 "[ . 1 . 2 .]" 3
113 1 11 ARG HA 1 66 PHE QE 0.000 . 5.000 3.136 2.591 3.379 . 0 0 "[ . 1 . 2 .]" 3
114 1 11 ARG HB3 1 66 PHE QE 0.000 . 5.000 3.589 2.888 3.981 . 0 0 "[ . 1 . 2 .]" 3
115 1 52 GLU QB 1 69 PHE QD 0.000 . 5.000 4.272 4.149 4.458 . 0 0 "[ . 1 . 2 .]" 3
116 1 53 ILE HA 1 69 PHE QD 0.000 . 5.000 3.280 3.210 3.328 . 0 0 "[ . 1 . 2 .]" 3
117 1 53 ILE HG12 1 69 PHE QD 0.000 . 5.000 2.357 2.185 2.515 . 0 0 "[ . 1 . 2 .]" 3
118 1 53 ILE MD 1 69 PHE QD 0.000 . 3.500 3.513 3.475 3.530 0.030 24 0 "[ . 1 . 2 .]" 3
119 1 69 PHE HA 1 69 PHE QD 0.000 . 3.500 3.323 3.294 3.339 . 0 0 "[ . 1 . 2 .]" 3
120 1 69 PHE HB2 1 69 PHE QD 0.000 . 2.700 2.330 2.323 2.348 . 0 0 "[ . 1 . 2 .]" 3
121 1 69 PHE HB3 1 69 PHE QD 0.000 . 2.700 2.509 2.480 2.523 . 0 0 "[ . 1 . 2 .]" 3
122 1 69 PHE QD 1 77 LEU QD 0.000 . 5.000 3.107 2.910 3.359 . 0 0 "[ . 1 . 2 .]" 3
123 1 52 GLU QB 1 69 PHE QE 0.000 . 5.000 4.482 4.377 4.706 . 0 0 "[ . 1 . 2 .]" 3
124 1 53 ILE HA 1 69 PHE QE 0.000 . 5.000 5.008 4.927 5.030 0.030 25 0 "[ . 1 . 2 .]" 3
125 1 53 ILE HG13 1 69 PHE QE 0.000 . 5.000 3.755 3.670 3.832 . 0 0 "[ . 1 . 2 .]" 3
126 1 53 ILE HG12 1 69 PHE QE 0.000 . 5.000 3.116 2.958 3.228 . 0 0 "[ . 1 . 2 .]" 3
127 1 53 ILE MD 1 69 PHE QE 0.000 . 5.000 3.168 3.014 3.294 . 0 0 "[ . 1 . 2 .]" 3
128 1 69 PHE HA 1 69 PHE QE 0.000 . 5.000 5.074 5.061 5.090 0.090 9 0 "[ . 1 . 2 .]" 3
129 1 69 PHE HB2 1 69 PHE QE 0.000 . 5.000 4.418 4.415 4.426 . 0 0 "[ . 1 . 2 .]" 3
130 1 69 PHE HB3 1 69 PHE QE 0.000 . 5.000 4.465 4.459 4.470 . 0 0 "[ . 1 . 2 .]" 3
131 1 69 PHE QE 1 76 LEU QD 0.000 . 3.500 3.469 3.448 3.496 . 0 0 "[ . 1 . 2 .]" 3
132 1 69 PHE QE 1 77 LEU QD 0.000 . 2.700 2.101 1.829 2.461 . 0 0 "[ . 1 . 2 .]" 3
133 1 37 THR HB 1 84 PHE QD 0.000 . 5.000 4.804 4.374 5.006 0.006 9 0 "[ . 1 . 2 .]" 3
134 1 80 VAL HA 1 84 PHE QD 0.000 . 5.000 4.318 3.822 4.795 . 0 0 "[ . 1 . 2 .]" 3
135 1 80 VAL QG 1 84 PHE QD 0.000 . 5.000 2.775 2.031 3.641 . 0 0 "[ . 1 . 2 .]" 3
136 1 81 ALA MB 1 84 PHE QD 0.000 . 5.000 4.965 4.637 5.021 0.021 4 0 "[ . 1 . 2 .]" 3
137 1 83 ILE HA 1 84 PHE QD 0.000 . 5.000 4.773 4.239 5.012 0.012 8 0 "[ . 1 . 2 .]" 3
138 1 83 ILE HB 1 84 PHE QD 0.000 . 5.000 2.474 2.057 2.832 . 0 0 "[ . 1 . 2 .]" 3
139 1 83 ILE HG13 1 84 PHE QD 0.000 . 5.000 4.475 4.247 4.812 . 0 0 "[ . 1 . 2 .]" 3
140 1 83 ILE MG 1 84 PHE QD 0.000 . 5.000 3.390 2.701 3.762 . 0 0 "[ . 1 . 2 .]" 3
141 1 83 ILE MD 1 84 PHE QD 0.000 . 5.000 4.193 3.757 5.000 0.000 23 0 "[ . 1 . 2 .]" 3
142 1 84 PHE HA 1 84 PHE QD 0.000 . 3.500 3.010 2.856 3.161 . 0 0 "[ . 1 . 2 .]" 3
143 1 80 VAL HA 1 84 PHE QE 0.000 . 5.000 4.317 3.622 4.970 . 0 0 "[ . 1 . 2 .]" 3
144 1 80 VAL QG 1 84 PHE QE 0.000 . 3.500 2.201 1.746 3.446 . 0 0 "[ . 1 . 2 .]" 3
145 1 84 PHE HA 1 84 PHE QE 0.000 . 5.000 4.618 4.557 4.705 . 0 0 "[ . 1 . 2 .]" 3
146 1 84 PHE HB3 1 84 PHE QE 0.000 . 5.000 4.433 4.417 4.454 . 0 0 "[ . 1 . 2 .]" 3
147 1 83 ILE MG 1 84 PHE QE 0.000 . 5.000 3.175 2.236 3.702 . 0 0 "[ . 1 . 2 .]" 3
148 1 83 ILE MD 1 84 PHE QE 0.000 . 5.000 3.435 2.718 4.745 . 0 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 31.565
_Distance_constraint_stats_list.Viol_max 0.045
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0186
_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 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ARG 0.160 0.024 11 0 "[ . 1 . 2 .]"
1 14 ILE 0.690 0.045 2 0 "[ . 1 . 2 .]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 ARG 0.160 0.024 11 0 "[ . 1 . 2 .]"
1 18 PHE 0.690 0.045 2 0 "[ . 1 . 2 .]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 VAL 0.027 0.019 13 0 "[ . 1 . 2 .]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 HIS 0.385 0.029 13 0 "[ . 1 . 2 .]"
1 49 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 MET 0.027 0.019 13 0 "[ . 1 . 2 .]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 GLU 0.385 0.029 13 0 "[ . 1 . 2 .]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
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 11 ARG O 1 15 PHE H 0.000 . 2.300 1.740 1.678 1.838 . 0 0 "[ . 1 . 2 .]" 4
2 1 11 ARG O 1 15 PHE N 0.000 . 3.300 2.691 2.640 2.787 . 0 0 "[ . 1 . 2 .]" 4
3 1 12 GLU O 1 16 LYS H 0.000 . 2.300 1.835 1.740 1.900 . 0 0 "[ . 1 . 2 .]" 4
4 1 12 GLU O 1 16 LYS N 0.000 . 3.300 2.705 2.599 2.771 . 0 0 "[ . 1 . 2 .]" 4
5 1 13 ARG O 1 17 ARG H 0.000 . 2.300 2.293 2.205 2.324 0.024 11 0 "[ . 1 . 2 .]" 4
6 1 13 ARG O 1 17 ARG N 0.000 . 3.300 3.087 3.023 3.133 . 0 0 "[ . 1 . 2 .]" 4
7 1 14 ILE O 1 18 PHE H 0.000 . 2.300 2.328 2.313 2.345 0.045 2 0 "[ . 1 . 2 .]" 4
8 1 14 ILE O 1 18 PHE N 0.000 . 3.300 3.210 3.128 3.245 . 0 0 "[ . 1 . 2 .]" 4
9 1 19 ASP OD2 1 24 GLY H 0.000 . 2.300 1.805 1.737 1.898 . 0 0 "[ . 1 . 2 .]" 4
10 1 19 ASP OD2 1 24 GLY N 0.000 . 3.300 2.712 2.656 2.780 . 0 0 "[ . 1 . 2 .]" 4
11 1 26 ILE H 1 61 ILE O 0.000 . 2.300 2.127 2.072 2.206 . 0 0 "[ . 1 . 2 .]" 4
12 1 26 ILE N 1 61 ILE O 0.000 . 3.300 2.971 2.917 3.038 . 0 0 "[ . 1 . 2 .]" 4
13 1 27 SER O 1 31 LEU H 0.000 . 2.300 1.699 1.630 1.739 . 0 0 "[ . 1 . 2 .]" 4
14 1 27 SER O 1 31 LEU N 0.000 . 3.300 2.646 2.580 2.686 . 0 0 "[ . 1 . 2 .]" 4
15 1 28 ALA O 1 32 GLY H 0.000 . 2.300 1.559 1.546 1.575 . 0 0 "[ . 1 . 2 .]" 4
16 1 28 ALA O 1 32 GLY N 0.000 . 3.300 2.442 2.424 2.465 . 0 0 "[ . 1 . 2 .]" 4
17 1 29 ALA O 1 33 GLU H 0.000 . 2.300 2.016 1.945 2.120 . 0 0 "[ . 1 . 2 .]" 4
18 1 29 ALA O 1 33 GLU N 0.000 . 3.300 2.878 2.807 2.997 . 0 0 "[ . 1 . 2 .]" 4
19 1 30 GLU O 1 34 ALA H 0.000 . 2.300 2.045 1.962 2.118 . 0 0 "[ . 1 . 2 .]" 4
20 1 30 GLU O 1 34 ALA N 0.000 . 3.300 2.987 2.899 3.065 . 0 0 "[ . 1 . 2 .]" 4
21 1 31 LEU O 1 35 LEU H 0.000 . 2.300 1.784 1.662 1.920 . 0 0 "[ . 1 . 2 .]" 4
22 1 31 LEU O 1 35 LEU N 0.000 . 3.300 2.712 2.575 2.858 . 0 0 "[ . 1 . 2 .]" 4
23 1 43 PRO O 1 47 LYS H 0.000 . 2.300 2.021 1.869 2.297 . 0 0 "[ . 1 . 2 .]" 4
24 1 43 PRO O 1 47 LYS N 0.000 . 3.300 2.937 2.794 3.206 . 0 0 "[ . 1 . 2 .]" 4
25 1 45 GLU O 1 49 MET H 0.000 . 2.300 2.035 1.787 2.295 . 0 0 "[ . 1 . 2 .]" 4
26 1 45 GLU O 1 49 MET N 0.000 . 3.300 2.955 2.711 3.208 . 0 0 "[ . 1 . 2 .]" 4
27 1 46 VAL O 1 50 MET H 0.000 . 2.300 2.203 2.067 2.319 0.019 13 0 "[ . 1 . 2 .]" 4
28 1 46 VAL O 1 50 MET N 0.000 . 3.300 3.153 3.012 3.268 . 0 0 "[ . 1 . 2 .]" 4
29 1 47 LYS O 1 51 ALA H 0.000 . 2.300 2.028 1.882 2.146 . 0 0 "[ . 1 . 2 .]" 4
30 1 47 LYS O 1 51 ALA N 0.000 . 3.300 2.989 2.841 3.104 . 0 0 "[ . 1 . 2 .]" 4
31 1 48 HIS O 1 52 GLU H 0.000 . 2.300 2.315 2.296 2.329 0.029 13 0 "[ . 1 . 2 .]" 4
32 1 48 HIS O 1 52 GLU N 0.000 . 3.300 2.990 2.927 3.046 . 0 0 "[ . 1 . 2 .]" 4
33 1 49 MET O 1 53 ILE H 0.000 . 2.300 1.684 1.609 1.758 . 0 0 "[ . 1 . 2 .]" 4
34 1 49 MET O 1 53 ILE N 0.000 . 3.300 2.591 2.529 2.656 . 0 0 "[ . 1 . 2 .]" 4
35 1 50 MET O 1 54 ASP H 0.000 . 2.300 1.531 1.490 1.554 . 0 0 "[ . 1 . 2 .]" 4
36 1 50 MET O 1 54 ASP N 0.000 . 3.300 2.468 2.430 2.493 . 0 0 "[ . 1 . 2 .]" 4
37 1 54 ASP OD2 1 59 GLY H 0.000 . 2.300 1.818 1.700 1.919 . 0 0 "[ . 1 . 2 .]" 4
38 1 54 ASP OD2 1 59 GLY N 0.000 . 3.300 2.726 2.608 2.839 . 0 0 "[ . 1 . 2 .]" 4
39 1 26 ILE O 1 61 ILE H 0.000 . 2.300 2.133 2.055 2.197 . 0 0 "[ . 1 . 2 .]" 4
40 1 26 ILE O 1 61 ILE N 0.000 . 3.300 3.013 2.945 3.067 . 0 0 "[ . 1 . 2 .]" 4
41 1 62 SER O 1 66 PHE H 0.000 . 2.300 1.763 1.714 1.793 . 0 0 "[ . 1 . 2 .]" 4
42 1 62 SER O 1 66 PHE N 0.000 . 3.300 2.741 2.692 2.771 . 0 0 "[ . 1 . 2 .]" 4
43 1 63 PHE O 1 67 THR H 0.000 . 2.300 1.819 1.698 1.933 . 0 0 "[ . 1 . 2 .]" 4
44 1 63 PHE O 1 67 THR N 0.000 . 3.300 2.702 2.564 2.838 . 0 0 "[ . 1 . 2 .]" 4
stop_
save_
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