NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372690 |
1dec   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dec
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 427
_Distance_constraint_stats_list.Viol_count 1465
_Distance_constraint_stats_list.Viol_total 3617.305
_Distance_constraint_stats_list.Viol_max 1.879
_Distance_constraint_stats_list.Viol_rms 0.0661
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.0988
_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 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 PRO 0.203 0.047 5 0 "[ . 1 . 2 .]"
1 3 ARG 4.603 0.224 14 0 "[ . 1 . 2 .]"
1 4 LEU 9.027 0.266 20 0 "[ . 1 . 2 .]"
1 5 PRO 1.435 0.118 5 0 "[ . 1 . 2 .]"
1 6 GLN 9.696 0.356 17 0 "[ . 1 . 2 .]"
1 7 CYS 9.773 0.220 12 0 "[ . 1 . 2 .]"
1 8 GLN 1.235 0.107 9 0 "[ . 1 . 2 .]"
1 9 GLY 1.807 0.104 9 0 "[ . 1 . 2 .]"
1 10 ASP 2.188 0.276 6 0 "[ . 1 . 2 .]"
1 11 ASP 4.063 0.138 8 0 "[ . 1 . 2 .]"
1 12 GLN 0.398 0.162 16 0 "[ . 1 . 2 .]"
1 13 GLU 5.316 0.305 7 0 "[ . 1 . 2 .]"
1 14 LYS 6.977 0.305 7 0 "[ . 1 . 2 .]"
1 15 CYS 14.038 0.266 20 0 "[ . 1 . 2 .]"
1 16 LEU 7.067 0.185 8 0 "[ . 1 . 2 .]"
1 17 CYS 3.265 0.161 7 0 "[ . 1 . 2 .]"
1 18 ASN 15.285 0.781 21 3 "[ . 1 **. 2+ .]"
1 19 LYS 20.569 0.781 21 4 "[ *. 1 **. 2+ .]"
1 20 ASP 11.752 0.607 4 4 "[ +. 1 **. 2- .]"
1 21 GLU 8.722 0.439 12 0 "[ . 1 . 2 .]"
1 22 CYS 4.894 0.100 6 0 "[ . 1 . 2 .]"
1 23 PRO 0.175 0.064 6 0 "[ . 1 . 2 .]"
1 24 PRO 3.960 0.235 8 0 "[ . 1 . 2 .]"
1 25 GLY 0.201 0.104 19 0 "[ . 1 . 2 .]"
1 26 GLN 1.644 0.188 5 0 "[ . 1 . 2 .]"
1 27 CYS 2.437 0.235 8 0 "[ . 1 . 2 .]"
1 28 ARG 23.517 1.879 21 10 "[ **- ** *.* *2+ *]"
1 29 PHE 2.648 0.107 9 0 "[ . 1 . 2 .]"
1 30 PRO 0.436 0.081 25 0 "[ . 1 . 2 .]"
1 31 ARG 17.999 0.704 17 8 "[ * * 1- .*+ *2 **.]"
1 32 GLY 4.775 0.644 5 7 "[ * + 1- .* *2 **.]"
1 33 ASP 2.038 0.313 22 0 "[ . 1 . 2 .]"
1 34 ALA 9.509 0.206 6 0 "[ . 1 . 2 .]"
1 35 ASP 7.646 0.195 21 0 "[ . 1 . 2 .]"
1 36 PRO 1.417 0.106 16 0 "[ . 1 . 2 .]"
1 37 TYR 3.096 0.169 1 0 "[ . 1 . 2 .]"
1 38 CYS 4.844 0.100 6 0 "[ . 1 . 2 .]"
1 39 GLU 16.076 1.879 21 10 "[ **- ** *.* *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 PRO HD2 3.214 . 3.214 2.478 2.281 2.677 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 ALA HA 1 2 PRO HD3 2.873 . 2.873 2.355 2.171 2.590 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 ALA MB 1 2 PRO HD2 3.400 . 4.400 3.340 2.607 3.725 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 ALA MB 1 2 PRO HD3 4.023 . 5.023 3.882 3.642 4.151 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 PRO HA 1 3 ARG H 2.500 . 2.500 2.166 2.128 2.261 . 0 0 "[ . 1 . 2 .]" 1
6 1 2 PRO HB2 1 3 ARG H 4.141 . 4.141 3.789 3.150 4.188 0.047 5 0 "[ . 1 . 2 .]" 1
7 1 2 PRO HB3 1 3 ARG H 4.141 . 4.141 3.819 3.045 4.175 0.034 3 0 "[ . 1 . 2 .]" 1
8 1 3 ARG H 1 3 ARG HA 2.958 . 2.958 3.020 2.990 3.060 0.102 14 0 "[ . 1 . 2 .]" 1
9 1 3 ARG H 1 3 ARG HB2 3.500 . 3.500 2.736 2.368 3.710 0.210 15 0 "[ . 1 . 2 .]" 1
10 1 3 ARG H 1 3 ARG HB3 3.500 . 3.500 3.119 2.496 3.724 0.224 14 0 "[ . 1 . 2 .]" 1
11 1 3 ARG H 1 3 ARG QD 5.500 . 6.500 4.364 2.989 5.012 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 ARG H 1 3 ARG QG 3.500 . 4.500 3.536 2.097 4.227 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 ARG H 1 4 LEU H 4.141 . 4.141 4.158 4.045 4.323 0.182 23 0 "[ . 1 . 2 .]" 1
14 1 3 ARG HA 1 4 LEU H 2.500 . 2.500 2.179 2.095 2.228 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 ARG HB2 1 4 LEU H 4.633 . 4.633 4.501 3.931 4.614 . 0 0 "[ . 1 . 2 .]" 1
16 1 3 ARG HB3 1 4 LEU H 4.633 . 4.633 4.252 3.822 4.532 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 LEU H 1 4 LEU HB2 2.958 . 2.958 2.515 2.456 2.593 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 LEU H 1 4 LEU HB3 3.500 . 3.500 3.658 3.644 3.671 0.171 9 0 "[ . 1 . 2 .]" 1
19 1 4 LEU H 1 4 LEU MD1 3.500 . 4.500 3.794 3.732 3.832 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 LEU H 1 4 LEU MD2 3.915 . 4.915 3.563 3.378 3.719 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 LEU H 1 4 LEU HG 3.309 . 3.309 2.536 2.380 2.674 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 LEU H 1 5 PRO QD 4.380 . 5.380 4.413 4.382 4.464 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 LEU HA 1 4 LEU HB3 2.873 . 2.873 2.467 2.448 2.503 . 0 0 "[ . 1 . 2 .]" 1
24 1 4 LEU HA 1 4 LEU MD1 4.255 . 5.255 3.902 3.871 3.927 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 LEU HA 1 4 LEU MD2 3.039 . 4.039 2.211 2.183 2.231 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 LEU HA 1 4 LEU HG 3.596 . 3.596 3.223 3.144 3.285 . 0 0 "[ . 1 . 2 .]" 1
27 1 4 LEU HA 1 5 PRO QD 2.428 . 3.428 2.096 2.090 2.107 . 0 0 "[ . 1 . 2 .]" 1
28 1 4 LEU HA 1 15 CYS HA 3.803 . 3.803 3.976 3.883 4.069 0.266 20 0 "[ . 1 . 2 .]" 1
29 1 4 LEU HB2 1 5 PRO QD 4.023 . 5.023 4.256 4.226 4.293 . 0 0 "[ . 1 . 2 .]" 1
30 1 4 LEU HB2 1 15 CYS HA 4.255 . 4.255 3.728 3.590 3.868 . 0 0 "[ . 1 . 2 .]" 1
31 1 4 LEU HB2 1 16 LEU H 4.633 . 4.633 4.061 3.689 4.281 . 0 0 "[ . 1 . 2 .]" 1
32 1 4 LEU HB3 1 5 PRO QD 3.214 . 4.214 3.186 3.122 3.253 . 0 0 "[ . 1 . 2 .]" 1
33 1 4 LEU HB3 1 15 CYS HA 3.039 . 3.039 2.224 2.137 2.314 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 LEU MD1 1 5 PRO QD 4.255 . 6.255 4.639 4.577 4.673 . 0 0 "[ . 1 . 2 .]" 1
35 1 4 LEU MD1 1 14 LYS QE 4.023 . 6.023 2.872 2.255 4.450 . 0 0 "[ . 1 . 2 .]" 1
36 1 4 LEU MD1 1 15 CYS HA 3.400 . 4.400 3.425 3.244 3.474 . 0 0 "[ . 1 . 2 .]" 1
37 1 4 LEU MD1 1 21 GLU HA 4.023 . 5.023 2.666 2.381 3.428 . 0 0 "[ . 1 . 2 .]" 1
38 1 4 LEU MD1 1 21 GLU HB2 4.255 . 5.255 2.324 2.091 3.634 . 0 0 "[ . 1 . 2 .]" 1
39 1 4 LEU MD1 1 21 GLU HB3 4.500 . 5.500 2.308 2.214 2.447 . 0 0 "[ . 1 . 2 .]" 1
40 1 4 LEU MD1 1 21 GLU HG2 4.023 . 5.023 3.959 2.177 4.414 . 0 0 "[ . 1 . 2 .]" 1
41 1 4 LEU MD1 1 21 GLU HG3 4.500 . 5.500 4.108 3.645 4.454 . 0 0 "[ . 1 . 2 .]" 1
42 1 4 LEU MD1 1 22 CYS H 4.141 . 5.141 3.207 2.971 3.953 . 0 0 "[ . 1 . 2 .]" 1
43 1 4 LEU MD2 1 5 PRO QD 3.214 . 5.214 3.212 3.086 3.293 . 0 0 "[ . 1 . 2 .]" 1
44 1 4 LEU MD2 1 14 LYS H 4.633 . 5.633 4.229 4.095 4.504 . 0 0 "[ . 1 . 2 .]" 1
45 1 4 LEU MD2 1 14 LYS QE 4.255 . 6.255 3.494 2.123 4.231 . 0 0 "[ . 1 . 2 .]" 1
46 1 4 LEU MD2 1 15 CYS HA 3.596 . 4.596 3.576 3.442 3.629 . 0 0 "[ . 1 . 2 .]" 1
47 1 4 LEU MD2 1 16 LEU H 5.500 . 6.500 5.266 5.158 5.326 . 0 0 "[ . 1 . 2 .]" 1
48 1 5 PRO HA 1 6 GLN H 3.129 . 3.129 2.468 2.385 2.518 . 0 0 "[ . 1 . 2 .]" 1
49 1 5 PRO HB2 1 6 GLN H 3.309 . 3.309 3.216 3.052 3.363 0.054 5 0 "[ . 1 . 2 .]" 1
50 1 5 PRO HB2 1 15 CYS HA 3.803 . 3.803 3.853 3.822 3.921 0.118 5 0 "[ . 1 . 2 .]" 1
51 1 5 PRO HB2 1 15 CYS HB2 4.023 . 4.023 3.365 3.074 3.753 . 0 0 "[ . 1 . 2 .]" 1
52 1 5 PRO HB2 1 15 CYS HB3 4.023 . 4.023 3.193 2.811 3.825 . 0 0 "[ . 1 . 2 .]" 1
53 1 5 PRO HB3 1 6 GLN H 3.702 . 3.702 2.700 2.559 2.844 . 0 0 "[ . 1 . 2 .]" 1
54 1 5 PRO QD 1 15 CYS HA 3.214 . 4.214 3.141 3.039 3.240 . 0 0 "[ . 1 . 2 .]" 1
55 1 5 PRO QD 1 15 CYS HB3 4.255 . 5.255 3.775 3.374 4.302 . 0 0 "[ . 1 . 2 .]" 1
56 1 6 GLN H 1 6 GLN HB2 2.958 . 2.958 2.742 2.227 2.952 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 GLN H 1 6 GLN HB3 3.129 . 3.129 2.705 2.521 3.485 0.356 17 0 "[ . 1 . 2 .]" 1
58 1 6 GLN H 1 6 GLN QG 4.000 . 5.000 4.131 3.098 4.225 . 0 0 "[ . 1 . 2 .]" 1
59 1 6 GLN H 1 7 CYS H 4.380 . 4.380 4.500 4.466 4.540 0.160 20 0 "[ . 1 . 2 .]" 1
60 1 6 GLN H 1 15 CYS HB2 5.500 . 5.500 4.460 4.275 4.752 . 0 0 "[ . 1 . 2 .]" 1
61 1 6 GLN H 1 16 LEU H 4.500 . 4.500 4.638 4.600 4.685 0.185 8 0 "[ . 1 . 2 .]" 1
62 1 6 GLN H 1 16 LEU QB 4.633 . 5.633 4.753 4.654 4.799 . 0 0 "[ . 1 . 2 .]" 1
63 1 6 GLN H 1 16 LEU QD 4.380 . 6.780 4.382 4.169 4.529 . 0 0 "[ . 1 . 2 .]" 1
64 1 6 GLN HA 1 6 GLN HE21 5.500 . 5.500 3.700 2.908 3.938 . 0 0 "[ . 1 . 2 .]" 1
65 1 6 GLN HA 1 16 LEU QB 2.873 . 3.873 2.191 2.134 2.313 . 0 0 "[ . 1 . 2 .]" 1
66 1 6 GLN HA 1 16 LEU QD 4.023 . 6.423 3.212 3.055 3.503 . 0 0 "[ . 1 . 2 .]" 1
67 1 6 GLN HA 1 16 LEU HG 4.023 . 4.023 4.028 3.929 4.097 0.074 17 0 "[ . 1 . 2 .]" 1
68 1 6 GLN HB3 1 7 CYS H 3.915 . 3.915 3.935 3.062 4.135 0.220 12 0 "[ . 1 . 2 .]" 1
69 1 6 GLN HE21 1 7 CYS H 4.380 . 4.380 3.400 2.765 4.475 0.095 14 0 "[ . 1 . 2 .]" 1
70 1 6 GLN HE21 1 16 LEU QB 4.633 . 5.633 3.474 2.248 3.756 . 0 0 "[ . 1 . 2 .]" 1
71 1 6 GLN HE21 1 16 LEU QD 4.141 . 6.541 4.361 2.303 4.819 . 0 0 "[ . 1 . 2 .]" 1
72 1 6 GLN HE22 1 7 CYS H 4.633 . 4.633 4.041 3.391 4.465 . 0 0 "[ . 1 . 2 .]" 1
73 1 6 GLN HE22 1 16 LEU QB 4.141 . 5.141 2.851 2.447 3.558 . 0 0 "[ . 1 . 2 .]" 1
74 1 6 GLN HE22 1 16 LEU QD 3.915 . 6.315 3.849 2.887 4.705 . 0 0 "[ . 1 . 2 .]" 1
75 1 6 GLN HE22 1 18 ASN H 4.380 . 4.380 2.840 1.886 4.393 0.013 17 0 "[ . 1 . 2 .]" 1
76 1 6 GLN QG 1 7 CYS H 3.702 . 4.702 2.976 2.636 4.268 . 0 0 "[ . 1 . 2 .]" 1
77 1 6 GLN QG 1 16 LEU QB 4.000 . 6.000 3.857 2.852 4.102 . 0 0 "[ . 1 . 2 .]" 1
78 1 6 GLN QG 1 16 LEU QD 4.000 . 7.000 4.204 2.922 4.398 . 0 0 "[ . 1 . 2 .]" 1
79 1 7 CYS H 1 7 CYS HB2 3.500 . 3.500 2.518 2.328 2.573 . 0 0 "[ . 1 . 2 .]" 1
80 1 7 CYS H 1 7 CYS HB3 3.915 . 3.915 3.709 3.586 3.762 . 0 0 "[ . 1 . 2 .]" 1
81 1 7 CYS H 1 29 PHE HZ 5.500 . 5.500 4.295 3.996 4.548 . 0 0 "[ . 1 . 2 .]" 1
82 1 7 CYS HA 1 7 CYS HB3 2.600 . 2.600 2.598 2.554 2.767 0.167 8 0 "[ . 1 . 2 .]" 1
83 1 7 CYS HA 1 15 CYS HB2 3.214 . 3.214 2.815 2.568 3.301 0.087 19 0 "[ . 1 . 2 .]" 1
84 1 7 CYS HA 1 15 CYS HB3 3.873 . 3.873 3.571 3.366 3.935 0.062 19 0 "[ . 1 . 2 .]" 1
85 1 7 CYS HB2 1 15 CYS HB2 4.255 . 4.255 4.282 3.567 4.431 0.176 16 0 "[ . 1 . 2 .]" 1
86 1 7 CYS HB2 1 17 CYS HA 3.596 . 3.596 2.701 2.531 3.010 . 0 0 "[ . 1 . 2 .]" 1
87 1 7 CYS HB2 1 29 PHE HZ 3.596 . 3.596 2.583 2.344 2.986 . 0 0 "[ . 1 . 2 .]" 1
88 1 7 CYS HB3 1 8 GLN H 4.380 . 4.380 2.714 2.491 3.023 . 0 0 "[ . 1 . 2 .]" 1
89 1 7 CYS HB3 1 9 GLY H 4.141 . 4.141 3.756 3.086 4.168 0.027 13 0 "[ . 1 . 2 .]" 1
90 1 7 CYS HB3 1 17 CYS HA 4.255 . 4.255 3.956 3.741 4.297 0.042 12 0 "[ . 1 . 2 .]" 1
91 1 7 CYS HB3 1 27 CYS HB2 4.023 . 4.023 3.736 3.549 4.059 0.036 13 0 "[ . 1 . 2 .]" 1
92 1 7 CYS HB3 1 27 CYS HB3 4.023 . 4.023 2.968 2.800 3.474 . 0 0 "[ . 1 . 2 .]" 1
93 1 7 CYS HB3 1 29 PHE HZ 3.803 . 3.803 2.819 2.301 3.497 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 GLN H 1 8 GLN HB2 3.915 . 4.915 3.029 2.630 3.925 . 0 0 "[ . 1 . 2 .]" 1
95 1 8 GLN H 1 8 GLN QG 3.915 . 3.915 2.844 2.288 3.544 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 GLN H 1 9 GLY H 3.309 . 3.309 2.309 2.163 2.488 . 0 0 "[ . 1 . 2 .]" 1
97 1 8 GLN H 1 11 ASP OD1 . . 3.400 2.063 2.018 2.095 . 0 0 "[ . 1 . 2 .]" 1
98 1 8 GLN HA 1 9 GLY H 3.915 . 3.915 3.607 3.552 3.642 . 0 0 "[ . 1 . 2 .]" 1
99 1 8 GLN HA 1 29 PHE HZ 3.596 . 3.596 3.645 3.603 3.703 0.107 9 0 "[ . 1 . 2 .]" 1
100 1 8 GLN HB2 1 9 GLY H 4.380 . 5.380 2.926 2.378 4.029 . 0 0 "[ . 1 . 2 .]" 1
101 1 9 GLY H 1 10 ASP H 4.141 . 4.141 3.263 3.007 3.475 . 0 0 "[ . 1 . 2 .]" 1
102 1 9 GLY H 1 11 ASP H 4.380 . 4.380 4.363 4.262 4.477 0.097 5 0 "[ . 1 . 2 .]" 1
103 1 9 GLY H 1 11 ASP OD1 . . 3.400 2.579 2.126 2.808 . 0 0 "[ . 1 . 2 .]" 1
104 1 9 GLY H 1 29 PHE HE1 4.380 . 4.780 3.635 3.117 3.953 . 0 0 "[ . 1 . 2 .]" 1
105 1 9 GLY H 1 29 PHE HZ 4.633 . 4.633 4.680 4.524 4.737 0.104 9 0 "[ . 1 . 2 .]" 1
106 1 9 GLY HA2 1 10 ASP H 3.129 . 3.129 2.210 2.119 2.367 . 0 0 "[ . 1 . 2 .]" 1
107 1 9 GLY HA2 1 29 PHE HE1 3.803 . 4.203 2.878 2.598 3.320 . 0 0 "[ . 1 . 2 .]" 1
108 1 9 GLY HA3 1 10 ASP H 4.380 . 4.380 3.416 3.296 3.546 . 0 0 "[ . 1 . 2 .]" 1
109 1 10 ASP H 1 10 ASP HA 2.958 . 2.958 2.326 2.290 2.352 . 0 0 "[ . 1 . 2 .]" 1
110 1 10 ASP H 1 10 ASP HB2 3.915 . 3.915 3.438 3.150 4.053 0.138 15 0 "[ . 1 . 2 .]" 1
111 1 10 ASP H 1 10 ASP HB3 3.915 . 3.915 3.867 3.094 4.191 0.276 6 0 "[ . 1 . 2 .]" 1
112 1 10 ASP H 1 11 ASP H 3.309 . 3.309 3.263 3.168 3.352 0.043 15 0 "[ . 1 . 2 .]" 1
113 1 10 ASP HA 1 25 GLY HA2 3.803 . 3.803 2.518 2.210 3.702 . 0 0 "[ . 1 . 2 .]" 1
114 1 10 ASP HB2 1 11 ASP H 4.633 . 4.633 4.540 3.965 4.618 . 0 0 "[ . 1 . 2 .]" 1
115 1 10 ASP HB3 1 11 ASP H 4.633 . 4.633 4.372 3.918 4.558 . 0 0 "[ . 1 . 2 .]" 1
116 1 11 ASP H 1 11 ASP HB2 3.129 . 3.129 2.366 2.304 2.407 . 0 0 "[ . 1 . 2 .]" 1
117 1 11 ASP H 1 11 ASP HB3 3.500 . 3.500 3.608 3.575 3.638 0.138 8 0 "[ . 1 . 2 .]" 1
118 1 11 ASP H 1 12 GLN H 4.633 . 4.633 4.636 4.619 4.654 0.021 16 0 "[ . 1 . 2 .]" 1
119 1 11 ASP H 1 25 GLY H 4.633 . 4.633 2.187 1.842 2.704 . 0 0 "[ . 1 . 2 .]" 1
120 1 11 ASP H 1 25 GLY HA2 4.380 . 4.380 3.221 2.873 4.108 . 0 0 "[ . 1 . 2 .]" 1
121 1 11 ASP HA 1 12 GLN H 2.958 . 2.958 2.253 2.186 2.328 . 0 0 "[ . 1 . 2 .]" 1
122 1 11 ASP HA 1 13 GLU H 4.633 . 4.633 4.384 4.168 4.667 0.034 5 0 "[ . 1 . 2 .]" 1
123 1 11 ASP HB2 1 12 GLN H 5.500 . 5.500 3.827 3.719 3.937 . 0 0 "[ . 1 . 2 .]" 1
124 1 11 ASP HB2 1 13 GLU H 4.141 . 4.141 4.144 4.022 4.187 0.046 17 0 "[ . 1 . 2 .]" 1
125 1 11 ASP HB2 1 25 GLY H 3.915 . 3.915 2.920 2.428 3.514 . 0 0 "[ . 1 . 2 .]" 1
126 1 11 ASP HB3 1 12 GLN H 3.702 . 3.702 2.542 2.425 2.696 . 0 0 "[ . 1 . 2 .]" 1
127 1 11 ASP HB3 1 13 GLU H 3.500 . 3.500 2.755 2.598 3.038 . 0 0 "[ . 1 . 2 .]" 1
128 1 11 ASP HB3 1 25 GLY H 4.633 . 4.633 4.335 3.885 4.737 0.104 19 0 "[ . 1 . 2 .]" 1
129 1 12 GLN H 1 12 GLN HB2 3.129 . 3.129 2.545 2.517 2.567 . 0 0 "[ . 1 . 2 .]" 1
130 1 12 GLN H 1 12 GLN HB3 3.915 . 3.915 3.739 3.686 3.756 . 0 0 "[ . 1 . 2 .]" 1
131 1 12 GLN H 1 12 GLN HG2 3.915 . 3.915 3.796 2.686 4.077 0.162 16 0 "[ . 1 . 2 .]" 1
132 1 12 GLN H 1 12 GLN HG3 3.915 . 3.915 2.889 2.619 3.953 0.038 7 0 "[ . 1 . 2 .]" 1
133 1 12 GLN H 1 13 GLU H 3.309 . 3.309 2.570 2.455 2.756 . 0 0 "[ . 1 . 2 .]" 1
134 1 12 GLN HA 1 13 GLU H 3.915 . 3.915 3.614 3.590 3.635 . 0 0 "[ . 1 . 2 .]" 1
135 1 12 GLN HB2 1 13 GLU H 4.380 . 4.380 2.739 2.622 2.924 . 0 0 "[ . 1 . 2 .]" 1
136 1 12 GLN HB3 1 13 GLU H 5.500 . 5.500 3.624 3.504 3.764 . 0 0 "[ . 1 . 2 .]" 1
137 1 13 GLU H 1 13 GLU HB2 3.702 . 3.702 3.000 2.627 3.899 0.197 7 0 "[ . 1 . 2 .]" 1
138 1 13 GLU H 1 13 GLU HB3 3.915 . 3.915 3.688 3.083 3.935 0.020 21 0 "[ . 1 . 2 .]" 1
139 1 13 GLU H 1 13 GLU QG 3.500 . 4.500 2.941 2.272 3.896 . 0 0 "[ . 1 . 2 .]" 1
140 1 13 GLU H 1 14 LYS H 4.633 . 4.633 4.526 4.468 4.573 . 0 0 "[ . 1 . 2 .]" 1
141 1 13 GLU H 1 24 PRO HA 5.500 . 5.500 4.850 4.481 5.121 . 0 0 "[ . 1 . 2 .]" 1
142 1 13 GLU HA 1 13 GLU HB3 2.568 . 2.568 2.496 2.412 2.545 . 0 0 "[ . 1 . 2 .]" 1
143 1 13 GLU HA 1 13 GLU QG 3.039 . 4.039 2.910 2.479 3.467 . 0 0 "[ . 1 . 2 .]" 1
144 1 13 GLU HA 1 14 LYS H 3.702 . 3.702 2.401 2.285 2.511 . 0 0 "[ . 1 . 2 .]" 1
145 1 13 GLU HA 1 24 PRO QB 4.023 . 5.023 3.282 2.759 4.286 . 0 0 "[ . 1 . 2 .]" 1
146 1 13 GLU HA 1 24 PRO HG3 3.400 . 3.400 2.739 2.098 3.461 0.061 19 0 "[ . 1 . 2 .]" 1
147 1 13 GLU HB2 1 14 LYS H 3.309 . 3.309 3.120 2.074 3.563 0.254 14 0 "[ . 1 . 2 .]" 1
148 1 13 GLU HB3 1 14 LYS H 3.309 . 3.309 2.540 2.128 3.614 0.305 7 0 "[ . 1 . 2 .]" 1
149 1 13 GLU QG 1 14 LYS H 3.702 . 4.702 3.795 3.259 4.247 . 0 0 "[ . 1 . 2 .]" 1
150 1 14 LYS H 1 14 LYS HA 2.958 . 2.958 2.959 2.852 3.010 0.052 18 0 "[ . 1 . 2 .]" 1
151 1 14 LYS H 1 14 LYS HB2 2.958 . 2.958 2.588 2.461 2.750 . 0 0 "[ . 1 . 2 .]" 1
152 1 14 LYS H 1 14 LYS HB3 2.958 . 2.958 2.616 2.516 2.708 . 0 0 "[ . 1 . 2 .]" 1
153 1 14 LYS H 1 14 LYS QG 3.702 . 4.702 4.099 4.054 4.128 . 0 0 "[ . 1 . 2 .]" 1
154 1 14 LYS H 1 15 CYS H 4.633 . 4.633 4.652 4.555 4.709 0.076 13 0 "[ . 1 . 2 .]" 1
155 1 14 LYS H 1 24 PRO HA 5.500 . 5.500 5.488 5.389 5.555 0.055 11 0 "[ . 1 . 2 .]" 1
156 1 14 LYS H 1 24 PRO QB 5.500 . 6.500 4.461 4.003 5.403 . 0 0 "[ . 1 . 2 .]" 1
157 1 14 LYS H 1 24 PRO HD2 5.500 . 5.500 4.903 3.919 5.320 . 0 0 "[ . 1 . 2 .]" 1
158 1 14 LYS H 1 24 PRO HD3 3.702 . 3.702 3.361 2.731 3.638 . 0 0 "[ . 1 . 2 .]" 1
159 1 14 LYS HA 1 14 LYS QG 3.400 . 4.400 2.460 2.375 3.042 . 0 0 "[ . 1 . 2 .]" 1
160 1 14 LYS HA 1 23 PRO HA 3.214 . 3.214 2.973 2.416 3.235 0.021 12 0 "[ . 1 . 2 .]" 1
161 1 14 LYS HA 1 24 PRO HA 4.500 . 4.500 3.982 3.767 4.448 . 0 0 "[ . 1 . 2 .]" 1
162 1 14 LYS HA 1 24 PRO HD2 4.023 . 4.023 4.036 3.513 4.187 0.164 16 0 "[ . 1 . 2 .]" 1
163 1 14 LYS HA 1 24 PRO HD3 3.214 . 3.214 2.450 2.172 2.563 . 0 0 "[ . 1 . 2 .]" 1
164 1 14 LYS HB2 1 23 PRO HA 3.803 . 3.803 3.273 2.778 3.798 . 0 0 "[ . 1 . 2 .]" 1
165 1 14 LYS QG 1 15 CYS H 4.141 . 5.141 2.698 2.481 3.238 . 0 0 "[ . 1 . 2 .]" 1
166 1 14 LYS QG 1 22 CYS H 5.500 . 6.500 3.213 2.990 4.268 . 0 0 "[ . 1 . 2 .]" 1
167 1 14 LYS QG 1 24 PRO HD3 4.500 . 5.500 3.539 3.041 4.516 . 0 0 "[ . 1 . 2 .]" 1
168 1 15 CYS H 1 15 CYS HB2 4.141 . 4.141 4.007 3.914 4.099 . 0 0 "[ . 1 . 2 .]" 1
169 1 15 CYS H 1 15 CYS HB3 4.380 . 4.380 3.374 3.135 3.539 . 0 0 "[ . 1 . 2 .]" 1
170 1 15 CYS H 1 16 LEU H 4.380 . 4.380 4.461 4.437 4.483 0.103 5 0 "[ . 1 . 2 .]" 1
171 1 15 CYS H 1 21 GLU HA 4.633 . 4.633 4.716 4.656 4.812 0.179 1 0 "[ . 1 . 2 .]" 1
172 1 15 CYS H 1 22 CYS H 3.915 . 3.915 3.201 3.125 3.362 . 0 0 "[ . 1 . 2 .]" 1
173 1 15 CYS H 1 22 CYS O . . 2.400 2.275 2.150 2.498 0.098 11 0 "[ . 1 . 2 .]" 1
174 1 15 CYS HA 1 16 LEU H 3.309 . 3.309 2.351 2.314 2.379 . 0 0 "[ . 1 . 2 .]" 1
175 1 15 CYS HB2 1 16 LEU H 3.309 . 3.309 2.383 2.349 2.477 . 0 0 "[ . 1 . 2 .]" 1
176 1 15 CYS HB2 1 16 LEU QD 4.255 . 6.655 4.972 4.896 5.052 . 0 0 "[ . 1 . 2 .]" 1
177 1 15 CYS HB3 1 16 LEU H 3.915 . 3.915 3.729 3.689 3.824 . 0 0 "[ . 1 . 2 .]" 1
178 1 15 CYS O 1 22 CYS H . . 2.400 2.140 1.970 2.245 . 0 0 "[ . 1 . 2 .]" 1
179 1 16 LEU H 1 16 LEU QB 2.958 . 3.958 2.441 2.409 2.497 . 0 0 "[ . 1 . 2 .]" 1
180 1 16 LEU H 1 16 LEU QD 3.702 . 6.102 3.342 3.297 3.383 . 0 0 "[ . 1 . 2 .]" 1
181 1 16 LEU H 1 16 LEU HG 3.702 . 3.702 2.678 2.622 2.738 . 0 0 "[ . 1 . 2 .]" 1
182 1 16 LEU HA 1 16 LEU QD 2.717 . 5.117 2.240 2.204 2.274 . 0 0 "[ . 1 . 2 .]" 1
183 1 16 LEU HA 1 17 CYS H 2.644 . 2.644 2.136 2.104 2.161 . 0 0 "[ . 1 . 2 .]" 1
184 1 16 LEU HA 1 21 GLU H 4.633 . 4.633 4.421 4.214 4.662 0.029 13 0 "[ . 1 . 2 .]" 1
185 1 16 LEU HA 1 21 GLU HA 2.873 . 2.873 2.849 2.308 2.991 0.118 7 0 "[ . 1 . 2 .]" 1
186 1 16 LEU HA 1 22 CYS H 3.915 . 3.915 3.741 3.360 3.948 0.033 9 0 "[ . 1 . 2 .]" 1
187 1 16 LEU QB 1 17 CYS H 3.915 . 4.915 3.411 3.121 3.497 . 0 0 "[ . 1 . 2 .]" 1
188 1 16 LEU QD 1 17 CYS H 3.500 . 5.900 3.708 3.602 3.768 . 0 0 "[ . 1 . 2 .]" 1
189 1 16 LEU QD 1 19 LYS H 4.141 . 6.541 4.732 4.650 4.871 . 0 0 "[ . 1 . 2 .]" 1
190 1 16 LEU QD 1 19 LYS HA 3.596 . 5.996 2.678 2.437 3.283 . 0 0 "[ . 1 . 2 .]" 1
191 1 16 LEU QD 1 20 ASP H 4.141 . 6.541 3.567 3.127 4.314 . 0 0 "[ . 1 . 2 .]" 1
192 1 16 LEU QD 1 20 ASP HA 4.255 . 6.655 3.787 3.259 4.198 . 0 0 "[ . 1 . 2 .]" 1
193 1 16 LEU QD 1 21 GLU H 3.702 . 6.102 3.444 2.969 3.699 . 0 0 "[ . 1 . 2 .]" 1
194 1 16 LEU QD 1 21 GLU HA 3.214 . 5.614 2.965 2.399 3.235 . 0 0 "[ . 1 . 2 .]" 1
195 1 17 CYS H 1 17 CYS HB2 3.702 . 3.702 2.712 2.610 2.917 . 0 0 "[ . 1 . 2 .]" 1
196 1 17 CYS H 1 17 CYS HB3 3.309 . 3.309 2.875 2.788 2.973 . 0 0 "[ . 1 . 2 .]" 1
197 1 17 CYS H 1 19 LYS H 4.633 . 4.633 4.587 4.258 4.711 0.078 17 0 "[ . 1 . 2 .]" 1
198 1 17 CYS H 1 20 ASP H 4.141 . 4.141 2.772 2.175 3.611 . 0 0 "[ . 1 . 2 .]" 1
199 1 17 CYS H 1 20 ASP O . . 2.400 1.922 1.853 2.040 . 0 0 "[ . 1 . 2 .]" 1
200 1 17 CYS H 1 21 GLU HA 3.915 . 3.915 3.741 3.098 3.987 0.072 12 0 "[ . 1 . 2 .]" 1
201 1 17 CYS H 1 22 CYS HB2 4.141 . 4.141 3.449 3.246 3.826 . 0 0 "[ . 1 . 2 .]" 1
202 1 17 CYS H 1 22 CYS HB3 4.380 . 4.380 3.749 3.365 4.158 . 0 0 "[ . 1 . 2 .]" 1
203 1 17 CYS HA 1 17 CYS HB2 3.039 . 3.039 2.638 2.602 2.703 . 0 0 "[ . 1 . 2 .]" 1
204 1 17 CYS HB2 1 22 CYS H 4.633 . 4.633 4.524 3.998 4.682 0.049 7 0 "[ . 1 . 2 .]" 1
205 1 17 CYS HB2 1 38 CYS HB2 3.400 . 3.400 3.379 3.227 3.434 0.034 10 0 "[ . 1 . 2 .]" 1
206 1 17 CYS HB3 1 20 ASP H 5.500 . 5.500 3.976 3.684 4.384 . 0 0 "[ . 1 . 2 .]" 1
207 1 17 CYS HB3 1 22 CYS H 5.500 . 5.500 5.416 5.081 5.520 0.020 8 0 "[ . 1 . 2 .]" 1
208 1 17 CYS HB3 1 38 CYS H 4.633 . 4.633 3.590 3.379 3.923 . 0 0 "[ . 1 . 2 .]" 1
209 1 17 CYS O 1 20 ASP H . . 2.400 2.490 2.417 2.561 0.161 7 0 "[ . 1 . 2 .]" 1
210 1 18 ASN H 1 18 ASN HA 2.958 . 2.958 2.326 2.312 2.343 . 0 0 "[ . 1 . 2 .]" 1
211 1 18 ASN H 1 18 ASN HB2 3.915 . 3.915 3.443 3.375 3.537 . 0 0 "[ . 1 . 2 .]" 1
212 1 18 ASN H 1 18 ASN HB3 4.380 . 4.380 3.845 3.725 3.901 . 0 0 "[ . 1 . 2 .]" 1
213 1 18 ASN H 1 19 LYS H 3.915 . 3.915 4.026 3.949 4.087 0.172 5 0 "[ . 1 . 2 .]" 1
214 1 18 ASN H 1 20 ASP H 4.633 . 4.633 4.449 4.230 4.807 0.174 11 0 "[ . 1 . 2 .]" 1
215 1 18 ASN H 1 36 PRO QB 4.380 . 5.380 2.906 2.338 3.792 . 0 0 "[ . 1 . 2 .]" 1
216 1 18 ASN H 1 36 PRO QG 4.141 . 5.141 3.276 2.507 3.958 . 0 0 "[ . 1 . 2 .]" 1
217 1 18 ASN HA 1 19 LYS H 3.500 . 3.500 3.491 3.428 3.520 0.020 12 0 "[ . 1 . 2 .]" 1
218 1 18 ASN HA 1 36 PRO HD2 4.023 . 4.023 3.303 2.415 3.857 . 0 0 "[ . 1 . 2 .]" 1
219 1 18 ASN HB2 1 19 LYS H 3.500 . 3.500 3.541 3.422 3.591 0.091 25 0 "[ . 1 . 2 .]" 1
220 1 18 ASN HB2 1 36 PRO QB 4.255 . 5.255 2.946 2.427 3.959 . 0 0 "[ . 1 . 2 .]" 1
221 1 18 ASN HB2 1 36 PRO QG 4.023 . 5.023 3.286 2.296 4.245 . 0 0 "[ . 1 . 2 .]" 1
222 1 18 ASN HB3 1 18 ASN HD21 3.129 . 3.129 2.440 2.140 3.467 0.338 6 0 "[ . 1 . 2 .]" 1
223 1 18 ASN HB3 1 19 LYS H 2.958 . 2.958 2.058 1.893 2.187 . 0 0 "[ . 1 . 2 .]" 1
224 1 18 ASN HB3 1 20 ASP H 4.380 . 4.380 3.960 3.644 4.235 . 0 0 "[ . 1 . 2 .]" 1
225 1 18 ASN HD21 1 19 LYS H 3.915 . 3.915 3.533 3.107 4.105 0.190 17 0 "[ . 1 . 2 .]" 1
226 1 18 ASN HD21 1 19 LYS HG2 4.380 . 4.380 3.855 2.778 4.906 0.526 21 1 "[ . 1 . 2+ .]" 1
227 1 18 ASN HD21 1 35 ASP HB2 4.141 . 4.141 4.060 3.469 4.276 0.135 4 0 "[ . 1 . 2 .]" 1
228 1 18 ASN HD21 1 35 ASP HB3 3.915 . 3.915 3.039 2.398 3.419 . 0 0 "[ . 1 . 2 .]" 1
229 1 18 ASN HD21 1 36 PRO HD2 4.633 . 4.633 4.086 2.742 4.739 0.106 16 0 "[ . 1 . 2 .]" 1
230 1 18 ASN HD22 1 19 LYS H 4.380 . 4.380 4.450 4.291 4.559 0.179 2 0 "[ . 1 . 2 .]" 1
231 1 18 ASN HD22 1 19 LYS HG2 3.915 . 3.915 3.695 2.918 4.696 0.781 21 3 "[ . 1 *-. 2+ .]" 1
232 1 18 ASN HD22 1 35 ASP HB2 4.380 . 4.380 4.359 4.111 4.426 0.046 20 0 "[ . 1 . 2 .]" 1
233 1 18 ASN HD22 1 35 ASP HB3 4.141 . 4.141 3.363 3.105 3.645 . 0 0 "[ . 1 . 2 .]" 1
234 1 18 ASN HD22 1 36 PRO HD2 5.500 . 5.500 4.587 3.954 5.008 . 0 0 "[ . 1 . 2 .]" 1
235 1 19 LYS H 1 19 LYS HA 2.958 . 2.958 3.008 2.948 3.065 0.107 13 0 "[ . 1 . 2 .]" 1
236 1 19 LYS H 1 19 LYS QB 3.129 . 4.129 3.269 2.495 3.536 . 0 0 "[ . 1 . 2 .]" 1
237 1 19 LYS H 1 19 LYS HG2 3.500 . 3.500 3.039 2.584 3.887 0.387 14 0 "[ . 1 . 2 .]" 1
238 1 19 LYS H 1 19 LYS HG3 3.702 . 3.702 3.356 2.350 3.747 0.045 11 0 "[ . 1 . 2 .]" 1
239 1 19 LYS H 1 20 ASP H 2.958 . 2.958 2.391 1.959 2.542 . 0 0 "[ . 1 . 2 .]" 1
240 1 19 LYS HA 1 20 ASP H 3.915 . 3.915 2.896 2.598 3.551 . 0 0 "[ . 1 . 2 .]" 1
241 1 19 LYS QB 1 20 ASP H 4.141 . 5.141 3.911 2.683 4.133 . 0 0 "[ . 1 . 2 .]" 1
242 1 19 LYS HG2 1 20 ASP H 4.633 . 4.633 4.807 3.483 5.240 0.607 4 4 "[ +. 1 **. 2- .]" 1
243 1 20 ASP H 1 20 ASP HB2 3.309 . 3.309 2.685 2.528 3.311 0.002 4 0 "[ . 1 . 2 .]" 1
244 1 20 ASP H 1 20 ASP HB3 3.702 . 3.702 3.779 3.048 3.855 0.153 20 0 "[ . 1 . 2 .]" 1
245 1 20 ASP H 1 21 GLU H 4.633 . 4.633 4.378 4.247 4.653 0.020 13 0 "[ . 1 . 2 .]" 1
246 1 20 ASP HA 1 20 ASP HB3 2.600 . 2.600 2.561 2.520 3.027 0.427 4 0 "[ . 1 . 2 .]" 1
247 1 20 ASP HA 1 21 GLU H 3.500 . 3.500 2.172 2.140 2.213 . 0 0 "[ . 1 . 2 .]" 1
248 1 20 ASP HB2 1 21 GLU H 4.380 . 4.380 4.355 4.231 4.434 0.054 12 0 "[ . 1 . 2 .]" 1
249 1 20 ASP HB3 1 21 GLU H 3.702 . 3.702 3.504 3.313 3.882 0.180 4 0 "[ . 1 . 2 .]" 1
250 1 21 GLU H 1 21 GLU HB2 3.500 . 3.500 3.521 2.435 3.689 0.189 16 0 "[ . 1 . 2 .]" 1
251 1 21 GLU H 1 21 GLU HB3 3.129 . 3.129 2.723 2.530 3.568 0.439 12 0 "[ . 1 . 2 .]" 1
252 1 21 GLU H 1 21 GLU HG2 4.380 . 4.380 2.560 2.217 3.545 . 0 0 "[ . 1 . 2 .]" 1
253 1 21 GLU H 1 21 GLU HG3 3.500 . 3.500 3.173 2.171 3.558 0.058 15 0 "[ . 1 . 2 .]" 1
254 1 21 GLU HA 1 22 CYS H 2.797 . 2.797 2.089 2.072 2.117 . 0 0 "[ . 1 . 2 .]" 1
255 1 21 GLU HB2 1 22 CYS H 4.633 . 4.633 3.405 3.085 4.483 . 0 0 "[ . 1 . 2 .]" 1
256 1 21 GLU HB3 1 22 CYS H 4.380 . 4.380 4.087 3.579 4.235 . 0 0 "[ . 1 . 2 .]" 1
257 1 22 CYS H 1 22 CYS HB2 3.702 . 3.702 3.086 2.855 3.248 . 0 0 "[ . 1 . 2 .]" 1
258 1 22 CYS H 1 22 CYS HB3 3.500 . 3.500 2.839 2.633 2.957 . 0 0 "[ . 1 . 2 .]" 1
259 1 22 CYS HA 1 22 CYS HB3 3.039 . 3.039 3.071 3.063 3.083 0.044 2 0 "[ . 1 . 2 .]" 1
260 1 22 CYS HA 1 23 PRO HD2 3.214 . 3.214 2.630 2.282 2.862 . 0 0 "[ . 1 . 2 .]" 1
261 1 22 CYS HA 1 23 PRO HD3 2.717 . 2.717 2.204 2.059 2.521 . 0 0 "[ . 1 . 2 .]" 1
262 1 22 CYS HB2 1 38 CYS H 5.500 . 5.500 5.009 4.759 5.170 . 0 0 "[ . 1 . 2 .]" 1
263 1 22 CYS HB2 1 38 CYS HB3 3.803 . 3.803 3.878 3.839 3.903 0.100 6 0 "[ . 1 . 2 .]" 1
264 1 22 CYS HB3 1 38 CYS HB2 3.803 . 3.803 3.876 3.843 3.900 0.097 3 0 "[ . 1 . 2 .]" 1
265 1 23 PRO HA 1 23 PRO HB3 2.873 . 2.873 2.380 2.301 2.416 . 0 0 "[ . 1 . 2 .]" 1
266 1 23 PRO HA 1 24 PRO HD2 2.873 . 2.873 2.572 2.409 2.844 . 0 0 "[ . 1 . 2 .]" 1
267 1 23 PRO HA 1 24 PRO HD3 2.717 . 2.717 2.431 2.238 2.626 . 0 0 "[ . 1 . 2 .]" 1
268 1 23 PRO HB2 1 26 GLN H 4.633 . 4.633 4.070 3.303 4.697 0.064 6 0 "[ . 1 . 2 .]" 1
269 1 23 PRO HB3 1 24 PRO HD2 3.400 . 3.400 2.488 2.182 3.266 . 0 0 "[ . 1 . 2 .]" 1
270 1 23 PRO HB3 1 24 PRO HD3 4.023 . 4.023 3.699 3.350 4.006 . 0 0 "[ . 1 . 2 .]" 1
271 1 23 PRO HD2 1 26 GLN QB 3.400 . 4.023 3.024 2.133 3.477 . 0 0 "[ . 1 . 2 .]" 1
272 1 24 PRO HA 1 25 GLY H 2.797 . 2.797 2.131 2.097 2.152 . 0 0 "[ . 1 . 2 .]" 1
273 1 24 PRO HA 1 26 GLN H 4.141 . 4.141 4.105 3.771 4.208 0.067 6 0 "[ . 1 . 2 .]" 1
274 1 24 PRO HA 1 27 CYS H 4.633 . 4.633 4.628 4.204 4.868 0.235 8 0 "[ . 1 . 2 .]" 1
275 1 24 PRO QB 1 25 GLY H 3.915 . 4.915 3.272 3.156 3.447 . 0 0 "[ . 1 . 2 .]" 1
276 1 25 GLY H 1 25 GLY HA2 3.129 . 3.129 2.485 2.399 2.559 . 0 0 "[ . 1 . 2 .]" 1
277 1 25 GLY H 1 26 GLN H 3.500 . 3.500 3.325 3.165 3.429 . 0 0 "[ . 1 . 2 .]" 1
278 1 25 GLY HA2 1 26 GLN H 4.380 . 4.380 3.578 3.553 3.607 . 0 0 "[ . 1 . 2 .]" 1
279 1 25 GLY HA2 1 27 CYS H 5.500 . 5.500 4.418 4.172 4.944 . 0 0 "[ . 1 . 2 .]" 1
280 1 25 GLY HA3 1 26 GLN H 4.141 . 4.141 2.759 2.652 2.875 . 0 0 "[ . 1 . 2 .]" 1
281 1 26 GLN H 1 26 GLN QB 3.129 . 3.915 2.466 2.101 2.601 . 0 0 "[ . 1 . 2 .]" 1
282 1 26 GLN H 1 26 GLN HG3 3.500 . 3.500 2.828 2.276 3.688 0.188 5 0 "[ . 1 . 2 .]" 1
283 1 26 GLN H 1 27 CYS H 3.129 . 3.129 3.086 3.013 3.159 0.030 9 0 "[ . 1 . 2 .]" 1
284 1 26 GLN HA 1 26 GLN HE21 5.500 . 5.500 4.511 2.015 5.077 . 0 0 "[ . 1 . 2 .]" 1
285 1 26 GLN HA 1 27 CYS H 3.915 . 3.915 3.532 3.433 3.624 . 0 0 "[ . 1 . 2 .]" 1
286 1 26 GLN HA 1 28 ARG NH2 5.000 . 5.000 3.662 3.194 4.362 . 0 0 "[ . 1 . 2 .]" 1
287 1 26 GLN HA 1 39 GLU H 4.633 . 4.633 3.840 3.532 4.128 . 0 0 "[ . 1 . 2 .]" 1
288 1 26 GLN HA 1 39 GLU QG 4.500 . 5.500 4.471 2.446 4.933 . 0 0 "[ . 1 . 2 .]" 1
289 1 26 GLN QB 1 26 GLN HE21 . . 3.500 2.881 2.274 3.439 . 0 0 "[ . 1 . 2 .]" 1
290 1 26 GLN QB 1 26 GLN HE22 4.141 . 4.141 3.782 3.517 4.026 . 0 0 "[ . 1 . 2 .]" 1
291 1 26 GLN QB 1 27 CYS H 4.633 . 5.633 3.163 2.593 3.425 . 0 0 "[ . 1 . 2 .]" 1
292 1 26 GLN QB 1 39 GLU H 3.702 . 3.702 2.526 2.147 3.378 . 0 0 "[ . 1 . 2 .]" 1
293 1 26 GLN QB 1 39 GLU QB 3.803 . 4.803 2.882 2.346 4.196 . 0 0 "[ . 1 . 2 .]" 1
294 1 26 GLN O 1 39 GLU H . . 2.400 2.176 2.063 2.313 . 0 0 "[ . 1 . 2 .]" 1
295 1 27 CYS H 1 27 CYS HB2 3.309 . 3.309 2.691 2.514 2.819 . 0 0 "[ . 1 . 2 .]" 1
296 1 27 CYS H 1 27 CYS HB3 3.309 . 3.309 2.645 2.578 2.704 . 0 0 "[ . 1 . 2 .]" 1
297 1 27 CYS H 1 28 ARG H 5.500 . 5.500 4.430 4.365 4.569 . 0 0 "[ . 1 . 2 .]" 1
298 1 27 CYS HA 1 28 ARG H 3.129 . 3.129 2.108 2.095 2.144 . 0 0 "[ . 1 . 2 .]" 1
299 1 27 CYS HA 1 38 CYS HA 3.214 . 3.214 2.575 2.362 2.702 . 0 0 "[ . 1 . 2 .]" 1
300 1 27 CYS HA 1 39 GLU H 5.500 . 5.500 3.574 3.073 3.880 . 0 0 "[ . 1 . 2 .]" 1
301 1 27 CYS HB2 1 28 ARG H 4.633 . 4.633 4.386 4.312 4.457 . 0 0 "[ . 1 . 2 .]" 1
302 1 27 CYS HB2 1 38 CYS HA 4.255 . 4.255 4.278 4.074 4.351 0.096 6 0 "[ . 1 . 2 .]" 1
303 1 27 CYS HB3 1 28 ARG H 5.500 . 5.500 4.384 4.285 4.447 . 0 0 "[ . 1 . 2 .]" 1
304 1 27 CYS HB3 1 29 PHE HE1 4.023 . 4.423 3.159 2.820 3.704 . 0 0 "[ . 1 . 2 .]" 1
305 1 28 ARG H 1 28 ARG HB2 3.309 . 3.309 2.582 2.504 2.637 . 0 0 "[ . 1 . 2 .]" 1
306 1 28 ARG H 1 28 ARG HB3 3.702 . 3.702 3.740 3.706 3.767 0.065 7 0 "[ . 1 . 2 .]" 1
307 1 28 ARG H 1 28 ARG QD 4.633 . 5.633 3.696 3.446 3.970 . 0 0 "[ . 1 . 2 .]" 1
308 1 28 ARG H 1 28 ARG QG 3.309 . 4.309 2.662 2.482 2.862 . 0 0 "[ . 1 . 2 .]" 1
309 1 28 ARG H 1 29 PHE H 4.633 . 4.633 4.602 4.552 4.643 0.010 11 0 "[ . 1 . 2 .]" 1
310 1 28 ARG H 1 29 PHE HD1 5.500 . 5.900 4.608 4.353 4.873 . 0 0 "[ . 1 . 2 .]" 1
311 1 28 ARG H 1 37 TYR H 3.702 . 3.702 3.628 3.453 3.730 0.028 5 0 "[ . 1 . 2 .]" 1
312 1 28 ARG H 1 37 TYR QE 4.633 . 5.033 4.854 4.808 4.926 . 0 0 "[ . 1 . 2 .]" 1
313 1 28 ARG H 1 37 TYR O . . 2.400 2.052 2.021 2.105 . 0 0 "[ . 1 . 2 .]" 1
314 1 28 ARG H 1 38 CYS HA 3.915 . 3.915 3.451 3.233 3.685 . 0 0 "[ . 1 . 2 .]" 1
315 1 28 ARG HA 1 28 ARG QD 3.214 . 4.214 2.241 2.156 2.336 . 0 0 "[ . 1 . 2 .]" 1
316 1 28 ARG HA 1 29 PHE H 2.797 . 2.797 2.198 2.147 2.254 . 0 0 "[ . 1 . 2 .]" 1
317 1 28 ARG HA 1 29 PHE HD1 3.803 . 4.203 3.137 2.894 3.358 . 0 0 "[ . 1 . 2 .]" 1
318 1 28 ARG HB2 1 28 ARG HE 5.500 . 5.500 4.650 4.617 4.720 . 0 0 "[ . 1 . 2 .]" 1
319 1 28 ARG HB2 1 29 PHE H 4.633 . 4.633 3.921 3.760 4.048 . 0 0 "[ . 1 . 2 .]" 1
320 1 28 ARG HB2 1 37 TYR H 3.915 . 3.915 3.496 3.313 3.698 . 0 0 "[ . 1 . 2 .]" 1
321 1 28 ARG HB2 1 37 TYR QE 4.023 . 4.423 3.102 3.011 3.179 . 0 0 "[ . 1 . 2 .]" 1
322 1 28 ARG HB3 1 28 ARG HE 4.380 . 4.380 4.518 4.463 4.560 0.180 6 0 "[ . 1 . 2 .]" 1
323 1 28 ARG HB3 1 29 PHE H 3.702 . 3.702 2.896 2.733 3.028 . 0 0 "[ . 1 . 2 .]" 1
324 1 28 ARG HB3 1 37 TYR H 4.633 . 4.633 4.748 4.690 4.802 0.169 1 0 "[ . 1 . 2 .]" 1
325 1 28 ARG HB3 1 37 TYR QE 4.255 . 4.655 3.560 3.360 3.689 . 0 0 "[ . 1 . 2 .]" 1
326 1 28 ARG QD 1 29 PHE H 4.380 . 5.380 3.780 3.563 3.955 . 0 0 "[ . 1 . 2 .]" 1
327 1 28 ARG HE 1 28 ARG QG 3.129 . 4.129 2.267 2.232 2.313 . 0 0 "[ . 1 . 2 .]" 1
328 1 28 ARG HE 1 39 GLU QB 4.141 . 5.141 2.771 2.196 4.598 . 0 0 "[ . 1 . 2 .]" 1
329 1 28 ARG HE 1 39 GLU QG 4.380 . 5.380 3.467 2.364 4.032 . 0 0 "[ . 1 . 2 .]" 1
330 1 28 ARG HE 1 39 GLU OE2 . . 2.400 3.040 2.360 4.279 1.879 21 10 "[ **- ** *.* *2+ *]" 1
331 1 28 ARG QG 1 29 PHE H 4.141 . 5.141 4.587 4.516 4.672 . 0 0 "[ . 1 . 2 .]" 1
332 1 28 ARG QG 1 37 TYR QE 3.596 . 4.996 2.734 2.576 3.072 . 0 0 "[ . 1 . 2 .]" 1
333 1 28 ARG QG 1 39 GLU H 3.702 . 4.702 3.528 3.038 4.064 . 0 0 "[ . 1 . 2 .]" 1
334 1 28 ARG QG 1 39 GLU QB 3.596 . 5.596 2.331 2.076 4.023 . 0 0 "[ . 1 . 2 .]" 1
335 1 28 ARG QG 1 39 GLU QG 4.500 . 6.500 3.620 2.323 3.872 . 0 0 "[ . 1 . 2 .]" 1
336 1 28 ARG O 1 37 TYR H . . 2.400 2.290 2.136 2.411 0.011 16 0 "[ . 1 . 2 .]" 1
337 1 29 PHE H 1 29 PHE QB 3.129 . 4.129 2.551 2.463 2.638 . 0 0 "[ . 1 . 2 .]" 1
338 1 29 PHE H 1 29 PHE HD1 3.129 . 3.529 2.983 2.813 3.200 . 0 0 "[ . 1 . 2 .]" 1
339 1 29 PHE H 1 30 PRO QD 4.380 . 4.380 3.651 3.446 3.886 . 0 0 "[ . 1 . 2 .]" 1
340 1 29 PHE HA 1 29 PHE HD2 3.596 . 3.996 3.441 3.166 3.759 . 0 0 "[ . 1 . 2 .]" 1
341 1 29 PHE HA 1 30 PRO QD . . 2.873 2.160 2.117 2.200 . 0 0 "[ . 1 . 2 .]" 1
342 1 29 PHE HA 1 36 PRO HA 3.500 . 3.500 2.654 2.512 2.763 . 0 0 "[ . 1 . 2 .]" 1
343 1 29 PHE HA 1 36 PRO QB 3.596 . 4.596 3.056 2.427 3.302 . 0 0 "[ . 1 . 2 .]" 1
344 1 29 PHE QB 1 29 PHE HD1 2.873 . 4.273 2.662 2.562 2.793 . 0 0 "[ . 1 . 2 .]" 1
345 1 29 PHE HD2 1 36 PRO QB 4.023 . 5.423 3.774 2.790 4.448 . 0 0 "[ . 1 . 2 .]" 1
346 1 29 PHE HD2 1 36 PRO QG 4.023 . 5.423 2.850 2.396 3.850 . 0 0 "[ . 1 . 2 .]" 1
347 1 29 PHE HE2 1 36 PRO QG 4.255 . 5.655 2.800 2.555 3.110 . 0 0 "[ . 1 . 2 .]" 1
348 1 30 PRO HA 1 31 ARG H 2.500 . 2.500 2.207 2.172 2.357 . 0 0 "[ . 1 . 2 .]" 1
349 1 30 PRO HB2 1 31 ARG H 3.129 . 3.129 3.073 2.965 3.194 0.065 6 0 "[ . 1 . 2 .]" 1
350 1 30 PRO HB3 1 31 ARG H 3.702 . 3.702 3.660 2.645 3.783 0.081 25 0 "[ . 1 . 2 .]" 1
351 1 30 PRO HB3 1 34 ALA MB 4.500 . 5.500 3.599 2.643 3.726 . 0 0 "[ . 1 . 2 .]" 1
352 1 30 PRO HB3 1 37 TYR QE 3.803 . 4.203 2.688 2.500 4.219 0.016 6 0 "[ . 1 . 2 .]" 1
353 1 30 PRO QD 1 34 ALA MB 5.000 . 6.000 3.870 3.806 3.962 . 0 0 "[ . 1 . 2 .]" 1
354 1 30 PRO QD 1 36 PRO HA 3.039 . 3.039 2.171 2.086 2.276 . 0 0 "[ . 1 . 2 .]" 1
355 1 30 PRO QD 1 36 PRO QB 4.500 . 5.500 3.714 3.208 3.868 . 0 0 "[ . 1 . 2 .]" 1
356 1 30 PRO QD 1 37 TYR H 4.141 . 4.141 2.922 2.774 3.064 . 0 0 "[ . 1 . 2 .]" 1
357 1 30 PRO QD 1 37 TYR QD 4.023 . 4.423 2.708 2.480 2.886 . 0 0 "[ . 1 . 2 .]" 1
358 1 30 PRO QD 1 37 TYR QE 3.803 . 4.203 2.620 2.533 2.743 . 0 0 "[ . 1 . 2 .]" 1
359 1 30 PRO HG2 1 34 ALA MB 4.023 . 5.023 2.237 2.185 2.733 . 0 0 "[ . 1 . 2 .]" 1
360 1 30 PRO HG2 1 35 ASP H 4.633 . 4.633 4.038 3.840 4.516 . 0 0 "[ . 1 . 2 .]" 1
361 1 30 PRO HG2 1 37 TYR QE 4.255 . 4.655 4.078 3.698 4.450 . 0 0 "[ . 1 . 2 .]" 1
362 1 30 PRO HG3 1 34 ALA MB 3.596 . 4.596 2.997 2.876 3.743 . 0 0 "[ . 1 . 2 .]" 1
363 1 30 PRO HG3 1 37 TYR QD 3.803 . 4.203 2.344 2.281 2.578 . 0 0 "[ . 1 . 2 .]" 1
364 1 30 PRO HG3 1 37 TYR QE 3.214 . 3.614 2.486 2.150 3.014 . 0 0 "[ . 1 . 2 .]" 1
365 1 31 ARG H 1 31 ARG HA 2.797 . 2.797 2.913 2.871 3.005 0.208 6 0 "[ . 1 . 2 .]" 1
366 1 31 ARG H 1 31 ARG HB2 2.958 . 2.958 2.800 2.239 3.662 0.704 17 8 "[ * - 1* .*+ *2 **.]" 1
367 1 31 ARG H 1 31 ARG HB3 3.702 . 3.702 3.171 2.425 3.699 . 0 0 "[ . 1 . 2 .]" 1
368 1 31 ARG H 1 31 ARG QD 4.380 . 5.380 3.834 2.122 4.740 . 0 0 "[ . 1 . 2 .]" 1
369 1 31 ARG H 1 31 ARG QG 3.500 . 4.500 2.684 2.155 3.973 . 0 0 "[ . 1 . 2 .]" 1
370 1 31 ARG H 1 34 ALA MB 4.380 . 5.380 3.956 3.787 4.180 . 0 0 "[ . 1 . 2 .]" 1
371 1 31 ARG HA 1 32 GLY H 2.797 . 2.797 2.418 2.316 2.644 . 0 0 "[ . 1 . 2 .]" 1
372 1 31 ARG HB2 1 32 GLY H 4.380 . 4.380 3.216 2.205 3.904 . 0 0 "[ . 1 . 2 .]" 1
373 1 31 ARG HB3 1 32 GLY H 3.129 . 3.129 2.857 1.981 3.773 0.644 5 7 "[ * + 1- .* *2 **.]" 1
374 1 31 ARG QD 1 32 GLY H 5.500 . 6.500 4.385 3.512 5.125 . 0 0 "[ . 1 . 2 .]" 1
375 1 31 ARG QG 1 32 GLY H 3.915 . 4.915 3.398 1.786 4.133 . 0 0 "[ . 1 . 2 .]" 1
376 1 31 ARG O 1 34 ALA H . . 2.800 2.980 2.945 3.006 0.206 6 0 "[ . 1 . 2 .]" 1
377 1 32 GLY H 1 32 GLY HA2 2.958 . 2.958 2.372 2.367 2.381 . 0 0 "[ . 1 . 2 .]" 1
378 1 32 GLY H 1 32 GLY HA3 3.129 . 3.129 2.918 2.897 2.936 . 0 0 "[ . 1 . 2 .]" 1
379 1 32 GLY HA2 1 33 ASP H 3.309 . 3.309 3.271 3.165 3.327 0.018 25 0 "[ . 1 . 2 .]" 1
380 1 32 GLY HA2 1 34 ALA H 5.500 . 5.500 4.964 4.717 5.295 . 0 0 "[ . 1 . 2 .]" 1
381 1 32 GLY HA3 1 33 ASP H 3.129 . 3.129 2.142 2.107 2.184 . 0 0 "[ . 1 . 2 .]" 1
382 1 32 GLY HA3 1 34 ALA H 4.633 . 4.633 4.320 4.092 4.533 . 0 0 "[ . 1 . 2 .]" 1
383 1 33 ASP H 1 33 ASP HB2 3.309 . 3.309 3.140 2.586 3.339 0.030 25 0 "[ . 1 . 2 .]" 1
384 1 33 ASP H 1 33 ASP HB3 3.500 . 3.500 2.999 2.769 3.813 0.313 22 0 "[ . 1 . 2 .]" 1
385 1 33 ASP H 1 34 ALA H 3.129 . 3.129 3.172 3.136 3.211 0.082 22 0 "[ . 1 . 2 .]" 1
386 1 33 ASP H 1 34 ALA MB 4.633 . 5.633 3.852 3.605 4.050 . 0 0 "[ . 1 . 2 .]" 1
387 1 33 ASP HA 1 34 ALA H 3.915 . 3.915 2.487 2.385 2.587 . 0 0 "[ . 1 . 2 .]" 1
388 1 33 ASP HB2 1 34 ALA H 5.500 . 5.500 4.653 4.508 4.684 . 0 0 "[ . 1 . 2 .]" 1
389 1 33 ASP HB3 1 34 ALA H 4.633 . 4.633 4.512 4.350 4.556 . 0 0 "[ . 1 . 2 .]" 1
390 1 34 ALA H 1 34 ALA MB 2.644 . 3.644 2.609 2.560 2.674 . 0 0 "[ . 1 . 2 .]" 1
391 1 34 ALA H 1 35 ASP H 4.129 . 4.129 4.287 4.252 4.324 0.195 21 0 "[ . 1 . 2 .]" 1
392 1 34 ALA HA 1 35 ASP H 2.500 . 2.500 2.050 2.021 2.071 . 0 0 "[ . 1 . 2 .]" 1
393 1 34 ALA MB 1 35 ASP H 2.644 . 3.644 3.071 3.003 3.132 . 0 0 "[ . 1 . 2 .]" 1
394 1 35 ASP H 1 35 ASP HB2 2.797 . 2.797 2.585 2.530 2.665 . 0 0 "[ . 1 . 2 .]" 1
395 1 35 ASP H 1 35 ASP HB3 3.702 . 3.702 3.738 3.714 3.760 0.058 4 0 "[ . 1 . 2 .]" 1
396 1 35 ASP H 1 36 PRO HD3 5.500 . 5.500 4.950 4.905 5.133 . 0 0 "[ . 1 . 2 .]" 1
397 1 35 ASP HA 1 35 ASP HB2 3.039 . 3.039 3.077 3.064 3.087 0.048 16 0 "[ . 1 . 2 .]" 1
398 1 35 ASP HA 1 35 ASP HB3 2.717 . 2.717 2.553 2.481 2.584 . 0 0 "[ . 1 . 2 .]" 1
399 1 35 ASP HA 1 36 PRO HD2 3.039 . 3.039 2.839 2.573 3.075 0.036 6 0 "[ . 1 . 2 .]" 1
400 1 35 ASP HA 1 36 PRO HD3 2.717 . 2.717 2.120 2.031 2.315 . 0 0 "[ . 1 . 2 .]" 1
401 1 35 ASP HB2 1 36 PRO HD2 4.255 . 4.255 4.156 3.922 4.295 0.040 8 0 "[ . 1 . 2 .]" 1
402 1 35 ASP HB3 1 36 PRO HD2 3.214 . 3.214 2.594 2.330 2.755 . 0 0 "[ . 1 . 2 .]" 1
403 1 35 ASP HB3 1 36 PRO HD3 3.596 . 3.596 3.448 3.089 3.665 0.069 21 0 "[ . 1 . 2 .]" 1
404 1 36 PRO HA 1 37 TYR QD 3.803 . 4.203 3.760 3.581 3.929 . 0 0 "[ . 1 . 2 .]" 1
405 1 36 PRO QB 1 37 TYR H 3.500 . 4.500 3.332 3.149 3.495 . 0 0 "[ . 1 . 2 .]" 1
406 1 37 TYR H 1 37 TYR QB 3.500 . 4.500 3.023 2.924 3.181 . 0 0 "[ . 1 . 2 .]" 1
407 1 37 TYR H 1 37 TYR QD 3.309 . 3.709 2.722 2.591 2.991 . 0 0 "[ . 1 . 2 .]" 1
408 1 37 TYR H 1 38 CYS H 5.500 . 5.500 4.551 4.451 4.602 . 0 0 "[ . 1 . 2 .]" 1
409 1 37 TYR HA 1 37 TYR QD 3.803 . 4.203 3.813 3.807 3.821 . 0 0 "[ . 1 . 2 .]" 1
410 1 37 TYR QB 1 37 TYR QD 2.568 . 3.968 2.209 2.205 2.214 . 0 0 "[ . 1 . 2 .]" 1
411 1 37 TYR QB 1 38 CYS H 3.129 . 4.129 2.869 2.789 2.960 . 0 0 "[ . 1 . 2 .]" 1
412 1 37 TYR QD 1 38 CYS H 3.915 . 4.315 3.930 3.754 4.075 . 0 0 "[ . 1 . 2 .]" 1
413 1 37 TYR QD 1 39 GLU H 4.380 . 4.780 4.082 3.700 4.624 . 0 0 "[ . 1 . 2 .]" 1
414 1 37 TYR QD 1 39 GLU HA 3.803 . 4.203 3.058 2.591 3.497 . 0 0 "[ . 1 . 2 .]" 1
415 1 37 TYR QD 1 39 GLU QB 4.023 . 5.423 3.638 2.864 4.743 . 0 0 "[ . 1 . 2 .]" 1
416 1 37 TYR QE 1 39 GLU H 5.500 . 5.900 4.906 4.558 5.357 . 0 0 "[ . 1 . 2 .]" 1
417 1 37 TYR QE 1 39 GLU HA 3.596 . 3.996 3.561 3.127 4.016 0.020 19 0 "[ . 1 . 2 .]" 1
418 1 37 TYR QE 1 39 GLU QB 3.596 . 4.996 3.135 2.270 4.504 . 0 0 "[ . 1 . 2 .]" 1
419 1 37 TYR QE 1 39 GLU QG 3.803 . 5.203 3.436 2.358 4.644 . 0 0 "[ . 1 . 2 .]" 1
420 1 38 CYS H 1 38 CYS HB2 3.309 . 3.309 2.724 2.642 2.788 . 0 0 "[ . 1 . 2 .]" 1
421 1 38 CYS H 1 38 CYS HB3 3.129 . 3.129 2.698 2.650 2.758 . 0 0 "[ . 1 . 2 .]" 1
422 1 38 CYS HA 1 38 CYS HB2 3.039 . 3.039 2.538 2.514 2.570 . 0 0 "[ . 1 . 2 .]" 1
423 1 38 CYS HA 1 39 GLU H 2.958 . 2.958 2.149 2.119 2.252 . 0 0 "[ . 1 . 2 .]" 1
424 1 38 CYS HB3 1 39 GLU H 4.380 . 4.380 4.204 3.909 4.384 0.004 7 0 "[ . 1 . 2 .]" 1
425 1 39 GLU H 1 39 GLU HA 3.129 . 3.129 2.988 2.919 3.049 . 0 0 "[ . 1 . 2 .]" 1
426 1 39 GLU H 1 39 GLU QB 3.129 . 4.129 2.326 2.247 2.581 . 0 0 "[ . 1 . 2 .]" 1
427 1 39 GLU H 1 39 GLU QG 3.702 . 4.702 3.992 2.393 4.185 . 0 0 "[ . 1 . 2 .]" 1
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