Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608626 | 2nd3 RC | 26046 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nd3
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 604
_Distance_constraint_stats_list.Viol_count 344
_Distance_constraint_stats_list.Viol_total 702.530
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.1021
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.045 0.024 3 0 "[ . 1 . 2]"
1 3 TYR 8.045 0.331 19 0 "[ . 1 . 2]"
1 4 THR 0.047 0.044 7 0 "[ . 1 . 2]"
1 5 PHE 7.154 0.268 10 0 "[ . 1 . 2]"
1 6 ARG 1.762 0.230 20 0 "[ . 1 . 2]"
1 7 SER 1.824 0.230 20 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.066 0.066 7 0 "[ . 1 . 2]"
1 10 THR 3.774 0.343 2 0 "[ . 1 . 2]"
1 11 ASN 3.669 0.343 2 0 "[ . 1 . 2]"
1 12 LYS 0.324 0.125 4 0 "[ . 1 . 2]"
1 13 GLU 0.269 0.125 4 0 "[ . 1 . 2]"
1 14 PHE 2.684 0.186 20 0 "[ . 1 . 2]"
1 15 THR 2.915 0.263 17 0 "[ . 1 . 2]"
1 16 VAL 3.540 0.263 17 0 "[ . 1 . 2]"
1 17 CYS 0.668 0.112 18 0 "[ . 1 . 2]"
1 18 ARG 1.230 0.285 13 0 "[ . 1 . 2]"
1 19 PRO 0.307 0.110 5 0 "[ . 1 . 2]"
1 20 ASN 2.675 0.299 19 0 "[ . 1 . 2]"
1 21 PRO 0.496 0.228 5 0 "[ . 1 . 2]"
1 22 GLU 1.789 0.299 19 0 "[ . 1 . 2]"
1 23 GLU 1.735 0.219 15 0 "[ . 1 . 2]"
1 24 VAL 5.871 0.331 19 0 "[ . 1 . 2]"
1 25 GLU 0.308 0.110 5 0 "[ . 1 . 2]"
1 26 LYS 1.623 0.219 15 0 "[ . 1 . 2]"
1 27 GLU 3.304 0.232 6 0 "[ . 1 . 2]"
1 28 ALA 0.166 0.129 18 0 "[ . 1 . 2]"
1 29 ARG 0.226 0.105 11 0 "[ . 1 . 2]"
1 30 ARG 0.626 0.154 5 0 "[ . 1 . 2]"
1 31 THR 3.357 0.232 6 0 "[ . 1 . 2]"
1 32 LYS 4.128 0.262 7 0 "[ . 1 . 2]"
1 33 GLU 0.322 0.154 5 0 "[ . 1 . 2]"
1 34 GLU 0.418 0.160 9 0 "[ . 1 . 2]"
1 35 GLU 0.233 0.130 10 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 1.519 0.187 2 0 "[ . 1 . 2]"
1 38 LYS 1.048 0.187 2 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 GLN HA 1 1 GLN QE 5.610 . 5.610 4.357 2.435 4.921 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLN HA 1 1 GLN QG 3.720 . 3.720 2.663 2.442 3.395 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLN HB2 1 2 CYS H 5.530 . 5.530 3.832 2.294 4.585 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLN HB3 1 2 CYS H 5.530 . 5.530 3.467 2.115 4.536 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLN QG 1 2 CYS H 5.170 . 5.170 3.712 2.022 4.825 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS CB 1 17 CYS SG 3.260 . 3.260 3.045 3.018 3.098 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 3 TYR H 3.500 . 3.500 2.236 2.120 3.004 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 15 THR MG 5.780 . 5.780 4.183 3.267 5.386 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HA 1 16 VAL MG1 5.180 . 5.180 4.518 4.016 5.201 0.021 16 0 "[ . 1 . 2]" 1
10 1 2 CYS HA 1 17 CYS HA 3.740 . 3.740 2.506 2.015 3.098 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HA 1 17 CYS QB 5.170 . 5.170 3.791 3.258 4.531 . 0 0 "[ . 1 . 2]" 1
12 1 2 CYS HA 1 18 ARG H 4.950 . 4.950 4.177 3.466 4.974 0.024 3 0 "[ . 1 . 2]" 1
13 1 2 CYS HA 1 24 VAL MG2 5.300 . 5.300 4.600 4.103 5.118 . 0 0 "[ . 1 . 2]" 1
14 1 2 CYS HB2 1 3 TYR H 4.980 . 4.980 4.202 2.728 4.575 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS HB2 1 15 THR MG 4.360 . 4.360 2.785 1.883 3.753 . 0 0 "[ . 1 . 2]" 1
16 1 2 CYS HB3 1 3 TYR H 4.490 . 4.490 3.421 1.952 4.078 . 0 0 "[ . 1 . 2]" 1
17 1 2 CYS HB3 1 15 THR MG 3.850 . 3.850 2.442 1.953 3.806 . 0 0 "[ . 1 . 2]" 1
18 1 2 CYS HB3 1 16 VAL H 5.750 . 5.750 3.597 2.604 4.725 . 0 0 "[ . 1 . 2]" 1
19 1 2 CYS HB3 1 17 CYS HA 5.780 . 5.780 3.775 2.870 4.834 . 0 0 "[ . 1 . 2]" 1
20 1 2 CYS SG 1 17 CYS CB 3.260 . 3.260 3.048 3.017 3.083 . 0 0 "[ . 1 . 2]" 1
21 1 2 CYS SG 1 17 CYS SG 2.210 . 2.210 2.029 2.021 2.038 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR H 1 3 TYR HB2 4.300 . 4.300 2.480 2.181 3.093 . 0 0 "[ . 1 . 2]" 1
23 1 3 TYR H 1 3 TYR HB3 4.370 . 4.370 2.664 2.551 3.034 . 0 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 3 TYR QD 5.010 . 5.010 4.222 4.031 4.473 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR H 1 15 THR HA 5.600 . 5.600 4.627 3.565 5.041 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR H 1 16 VAL H 4.590 . 4.590 3.170 2.450 3.732 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR H 1 16 VAL HB 5.660 . 5.660 5.481 4.880 5.750 0.090 15 0 "[ . 1 . 2]" 1
28 1 3 TYR H 1 16 VAL MG1 4.740 . 4.740 3.251 2.962 3.502 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR H 1 17 CYS H 5.430 . 5.430 5.021 4.605 5.470 0.040 2 0 "[ . 1 . 2]" 1
30 1 3 TYR H 1 17 CYS HA 4.610 . 4.610 3.622 3.092 4.073 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR H 1 24 VAL MG1 4.910 . 4.910 3.750 3.372 4.186 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR HA 1 3 TYR QD 4.060 . 4.060 2.392 2.145 2.947 . 0 0 "[ . 1 . 2]" 1
33 1 3 TYR HA 1 3 TYR QE 5.780 . 5.780 4.472 4.362 4.648 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HA 1 4 THR H 3.520 . 3.520 2.171 2.137 2.238 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR HA 1 16 VAL H 5.780 . 5.780 4.668 4.383 4.860 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR HB2 1 4 THR H 5.240 . 5.240 4.446 4.289 4.673 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR HB2 1 5 PHE QD 5.270 . 5.270 4.700 4.366 4.856 . 0 0 "[ . 1 . 2]" 1
38 1 3 TYR HB2 1 5 PHE QE 4.450 . 4.450 4.572 4.477 4.694 0.244 19 0 "[ . 1 . 2]" 1
39 1 3 TYR HB2 1 24 VAL MG1 3.980 . 3.980 2.133 1.867 2.287 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR HB3 1 4 THR H 5.310 . 5.310 4.268 4.115 4.385 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR HB3 1 5 PHE QE 4.840 . 4.840 2.853 2.747 2.993 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR HB3 1 24 VAL HB 5.450 . 5.450 5.264 4.972 5.432 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR HB3 1 24 VAL MG1 4.030 . 4.030 2.425 2.285 2.608 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR QD 1 4 THR H 4.490 . 4.490 3.526 2.881 4.427 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR QD 1 5 PHE H 5.780 . 5.780 5.121 4.610 5.525 . 0 0 "[ . 1 . 2]" 1
46 1 3 TYR QD 1 5 PHE HB2 5.750 . 5.750 4.996 4.366 5.693 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR QD 1 5 PHE HB3 4.500 . 4.500 3.762 3.063 4.507 0.007 11 0 "[ . 1 . 2]" 1
48 1 3 TYR QD 1 5 PHE QD 4.230 . 4.230 2.500 1.919 3.240 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR QD 1 5 PHE HZ 4.460 . 4.460 4.445 3.938 4.683 0.223 7 0 "[ . 1 . 2]" 1
50 1 3 TYR QD 1 16 VAL HB 5.780 . 5.780 5.499 5.005 5.794 0.014 12 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 16 VAL MG1 4.380 . 4.380 3.077 2.645 3.460 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 24 VAL MG1 4.110 . 4.110 2.634 2.379 2.950 . 0 0 "[ . 1 . 2]" 1
53 1 3 TYR QD 1 24 VAL MG2 4.900 . 4.900 4.483 4.232 4.672 . 0 0 "[ . 1 . 2]" 1
54 1 3 TYR QD 1 28 ALA H 5.640 . 5.640 4.935 4.662 5.491 . 0 0 "[ . 1 . 2]" 1
55 1 3 TYR QD 1 28 ALA HA 4.840 . 4.840 4.123 3.611 4.678 . 0 0 "[ . 1 . 2]" 1
56 1 3 TYR QD 1 28 ALA MB 4.140 . 4.140 2.425 2.166 2.657 . 0 0 "[ . 1 . 2]" 1
57 1 3 TYR QD 1 32 LYS QG 5.780 . 5.780 5.903 5.649 6.042 0.262 7 0 "[ . 1 . 2]" 1
58 1 3 TYR QE 1 5 PHE HB2 5.490 . 5.490 4.201 3.558 4.873 . 0 0 "[ . 1 . 2]" 1
59 1 3 TYR QE 1 5 PHE HB3 4.900 . 4.900 3.124 2.388 3.904 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR QE 1 24 VAL MG1 5.470 . 5.470 3.745 3.535 3.953 . 0 0 "[ . 1 . 2]" 1
61 1 3 TYR QE 1 24 VAL MG2 5.780 . 5.780 5.838 5.303 6.111 0.331 19 0 "[ . 1 . 2]" 1
62 1 3 TYR QE 1 28 ALA MB 4.220 . 4.220 2.337 2.025 2.641 . 0 0 "[ . 1 . 2]" 1
63 1 4 THR H 1 4 THR HB 3.840 . 3.840 2.614 2.525 2.681 . 0 0 "[ . 1 . 2]" 1
64 1 4 THR H 1 5 PHE H 5.780 . 5.780 4.414 4.338 4.527 . 0 0 "[ . 1 . 2]" 1
65 1 4 THR H 1 5 PHE HA 5.780 . 5.780 5.336 5.136 5.514 . 0 0 "[ . 1 . 2]" 1
66 1 4 THR H 1 15 THR MG 5.780 . 5.780 4.196 3.676 5.142 . 0 0 "[ . 1 . 2]" 1
67 1 4 THR H 1 16 VAL MG1 5.780 . 5.780 5.379 5.029 5.824 0.044 7 0 "[ . 1 . 2]" 1
68 1 4 THR HA 1 5 PHE H 3.340 . 3.340 2.165 2.134 2.241 . 0 0 "[ . 1 . 2]" 1
69 1 4 THR HA 1 5 PHE QD 4.650 . 4.650 3.271 3.036 3.723 . 0 0 "[ . 1 . 2]" 1
70 1 4 THR HA 1 15 THR HA 3.770 . 3.770 2.505 2.265 3.134 . 0 0 "[ . 1 . 2]" 1
71 1 4 THR HA 1 15 THR MG 5.000 . 5.000 3.269 2.220 4.013 . 0 0 "[ . 1 . 2]" 1
72 1 4 THR HA 1 16 VAL H 5.080 . 5.080 4.067 3.604 4.664 . 0 0 "[ . 1 . 2]" 1
73 1 4 THR HB 1 5 PHE H 5.160 . 5.160 4.204 4.076 4.307 . 0 0 "[ . 1 . 2]" 1
74 1 4 THR MG 1 5 PHE H 4.010 . 4.010 2.842 2.626 3.025 . 0 0 "[ . 1 . 2]" 1
75 1 4 THR MG 1 5 PHE HB3 5.780 . 5.780 5.162 4.950 5.327 . 0 0 "[ . 1 . 2]" 1
76 1 4 THR MG 1 6 ARG H 5.780 . 5.780 4.753 4.492 5.153 . 0 0 "[ . 1 . 2]" 1
77 1 4 THR MG 1 13 GLU HB2 4.910 . 4.910 3.184 2.216 4.583 . 0 0 "[ . 1 . 2]" 1
78 1 4 THR MG 1 13 GLU QB 4.200 . 4.200 2.902 2.185 3.953 . 0 0 "[ . 1 . 2]" 1
79 1 4 THR MG 1 13 GLU HB3 4.910 . 4.910 3.873 2.435 4.845 . 0 0 "[ . 1 . 2]" 1
80 1 4 THR MG 1 13 GLU QG 4.860 . 4.860 3.584 2.231 4.620 . 0 0 "[ . 1 . 2]" 1
81 1 4 THR MG 1 15 THR H 5.780 . 5.780 4.928 4.127 5.783 0.003 7 0 "[ . 1 . 2]" 1
82 1 4 THR MG 1 15 THR HA 4.750 . 4.750 3.835 3.246 4.650 . 0 0 "[ . 1 . 2]" 1
83 1 5 PHE H 1 5 PHE QD 4.170 . 4.170 2.791 2.551 3.122 . 0 0 "[ . 1 . 2]" 1
84 1 5 PHE H 1 5 PHE QE 5.660 . 5.660 4.206 4.078 4.432 . 0 0 "[ . 1 . 2]" 1
85 1 5 PHE H 1 6 ARG H 4.790 . 4.790 4.285 4.212 4.363 . 0 0 "[ . 1 . 2]" 1
86 1 5 PHE H 1 15 THR HA 4.730 . 4.730 3.846 3.571 4.224 . 0 0 "[ . 1 . 2]" 1
87 1 5 PHE H 1 15 THR MG 5.780 . 5.780 4.955 3.663 5.578 . 0 0 "[ . 1 . 2]" 1
88 1 5 PHE H 1 16 VAL H 5.750 . 5.750 5.259 4.800 5.622 . 0 0 "[ . 1 . 2]" 1
89 1 5 PHE H 1 16 VAL MG1 5.780 . 5.780 5.388 4.996 5.780 . 0 0 "[ . 1 . 2]" 1
90 1 5 PHE HA 1 5 PHE QD 4.430 . 4.430 3.733 3.703 3.772 . 0 0 "[ . 1 . 2]" 1
91 1 5 PHE HA 1 6 ARG H 3.660 . 3.660 2.231 2.178 2.316 . 0 0 "[ . 1 . 2]" 1
92 1 5 PHE HA 1 14 PHE QD 5.780 . 5.780 5.504 5.135 5.848 0.068 10 0 "[ . 1 . 2]" 1
93 1 5 PHE HB2 1 6 ARG H 4.240 . 4.240 3.059 2.731 3.191 . 0 0 "[ . 1 . 2]" 1
94 1 5 PHE HB2 1 28 ALA MB 5.570 . 5.570 4.408 3.460 5.362 . 0 0 "[ . 1 . 2]" 1
95 1 5 PHE HB2 1 32 LYS QD 5.250 . 5.250 2.992 1.918 4.157 . 0 0 "[ . 1 . 2]" 1
96 1 5 PHE HB2 1 32 LYS QG 5.210 . 5.210 3.658 2.844 4.740 . 0 0 "[ . 1 . 2]" 1
97 1 5 PHE HB3 1 6 ARG H 4.500 . 4.500 4.003 3.924 4.063 . 0 0 "[ . 1 . 2]" 1
98 1 5 PHE HB3 1 28 ALA MB 5.780 . 5.780 4.075 3.309 5.036 . 0 0 "[ . 1 . 2]" 1
99 1 5 PHE QD 1 6 ARG H 4.570 . 4.570 4.404 3.953 4.555 . 0 0 "[ . 1 . 2]" 1
100 1 5 PHE QD 1 6 ARG HA 5.590 . 5.590 4.720 4.499 4.904 . 0 0 "[ . 1 . 2]" 1
101 1 5 PHE QD 1 7 SER H 5.780 . 5.780 4.907 4.540 5.556 . 0 0 "[ . 1 . 2]" 1
102 1 5 PHE QD 1 14 PHE HA 5.780 . 5.780 5.753 5.647 5.837 0.057 8 0 "[ . 1 . 2]" 1
103 1 5 PHE QD 1 14 PHE QB 5.090 . 5.090 3.305 3.004 3.550 . 0 0 "[ . 1 . 2]" 1
104 1 5 PHE QD 1 15 THR HA 5.780 . 5.780 4.178 3.745 4.642 . 0 0 "[ . 1 . 2]" 1
105 1 5 PHE QD 1 16 VAL H 5.540 . 5.540 4.314 4.027 4.586 . 0 0 "[ . 1 . 2]" 1
106 1 5 PHE QD 1 16 VAL MG1 4.620 . 4.620 3.608 3.454 3.763 . 0 0 "[ . 1 . 2]" 1
107 1 5 PHE QD 1 28 ALA HA 5.380 . 5.380 3.944 3.380 4.961 . 0 0 "[ . 1 . 2]" 1
108 1 5 PHE QD 1 28 ALA MB 4.580 . 4.580 3.538 3.040 3.906 . 0 0 "[ . 1 . 2]" 1
109 1 5 PHE QD 1 31 THR MG 5.670 . 5.670 4.119 3.583 5.319 . 0 0 "[ . 1 . 2]" 1
110 1 5 PHE QD 1 32 LYS QD 5.250 . 5.250 2.267 1.550 3.533 . 0 0 "[ . 1 . 2]" 1
111 1 5 PHE QD 1 32 LYS QG 5.320 . 5.320 2.421 1.832 2.969 . 0 0 "[ . 1 . 2]" 1
112 1 5 PHE QE 1 14 PHE HA 5.480 . 5.480 5.347 5.153 5.516 0.036 1 0 "[ . 1 . 2]" 1
113 1 5 PHE QE 1 14 PHE HB2 4.800 . 4.800 2.987 2.730 3.190 . 0 0 "[ . 1 . 2]" 1
114 1 5 PHE QE 1 14 PHE QB 4.220 . 4.220 2.858 2.663 3.040 . 0 0 "[ . 1 . 2]" 1
115 1 5 PHE QE 1 14 PHE HB3 4.800 . 4.800 3.664 3.257 4.031 . 0 0 "[ . 1 . 2]" 1
116 1 5 PHE QE 1 15 THR HA 5.780 . 5.780 3.776 2.910 4.387 . 0 0 "[ . 1 . 2]" 1
117 1 5 PHE QE 1 16 VAL H 5.380 . 5.380 2.988 2.249 3.478 . 0 0 "[ . 1 . 2]" 1
118 1 5 PHE QE 1 16 VAL HB 4.390 . 4.390 3.214 2.871 3.695 . 0 0 "[ . 1 . 2]" 1
119 1 5 PHE QE 1 16 VAL MG1 3.750 . 3.750 1.725 1.632 1.851 . 0 0 "[ . 1 . 2]" 1
120 1 5 PHE QE 1 24 VAL MG1 4.360 . 4.360 3.836 3.523 4.049 . 0 0 "[ . 1 . 2]" 1
121 1 5 PHE QE 1 28 ALA HA 4.320 . 4.320 2.834 2.469 3.326 . 0 0 "[ . 1 . 2]" 1
122 1 5 PHE QE 1 28 ALA MB 4.290 . 4.290 3.332 3.009 3.711 . 0 0 "[ . 1 . 2]" 1
123 1 5 PHE QE 1 31 THR HB 4.380 . 4.380 2.138 1.644 3.505 . 0 0 "[ . 1 . 2]" 1
124 1 5 PHE QE 1 31 THR MG 4.150 . 4.150 2.624 2.251 3.697 . 0 0 "[ . 1 . 2]" 1
125 1 5 PHE QE 1 32 LYS HA 4.940 . 4.940 4.567 3.958 5.016 0.076 7 0 "[ . 1 . 2]" 1
126 1 5 PHE QE 1 32 LYS QD 4.780 . 4.780 3.814 2.755 4.893 0.113 12 0 "[ . 1 . 2]" 1
127 1 5 PHE QE 1 32 LYS QG 4.980 . 4.980 3.013 2.148 3.571 . 0 0 "[ . 1 . 2]" 1
128 1 5 PHE HZ 1 14 PHE HB2 5.240 . 5.240 3.434 3.071 3.866 . 0 0 "[ . 1 . 2]" 1
129 1 5 PHE HZ 1 14 PHE QB 4.420 . 4.420 3.129 2.887 3.447 . 0 0 "[ . 1 . 2]" 1
130 1 5 PHE HZ 1 14 PHE HB3 5.240 . 5.240 3.636 3.350 4.050 . 0 0 "[ . 1 . 2]" 1
131 1 5 PHE HZ 1 16 VAL MG1 4.460 . 4.460 2.852 2.641 3.141 . 0 0 "[ . 1 . 2]" 1
132 1 5 PHE HZ 1 24 VAL MG1 4.900 . 4.900 5.053 4.923 5.168 0.268 10 0 "[ . 1 . 2]" 1
133 1 5 PHE HZ 1 28 ALA HA 4.400 . 4.400 2.727 2.121 3.153 . 0 0 "[ . 1 . 2]" 1
134 1 5 PHE HZ 1 28 ALA MB 4.890 . 4.890 3.734 2.870 4.295 . 0 0 "[ . 1 . 2]" 1
135 1 5 PHE HZ 1 31 THR HB 4.330 . 4.330 3.423 2.776 3.832 . 0 0 "[ . 1 . 2]" 1
136 1 5 PHE HZ 1 31 THR MG 4.190 . 4.190 3.515 2.619 4.014 . 0 0 "[ . 1 . 2]" 1
137 1 5 PHE HZ 1 32 LYS QG 5.780 . 5.780 4.991 4.150 5.531 . 0 0 "[ . 1 . 2]" 1
138 1 6 ARG H 1 6 ARG QB 3.890 . 3.890 2.451 2.329 2.505 . 0 0 "[ . 1 . 2]" 1
139 1 6 ARG H 1 6 ARG HD2 5.780 . 5.780 5.223 4.602 5.590 . 0 0 "[ . 1 . 2]" 1
140 1 6 ARG H 1 6 ARG HD3 5.780 . 5.780 5.111 4.363 5.395 . 0 0 "[ . 1 . 2]" 1
141 1 6 ARG H 1 6 ARG QG 4.970 . 4.970 4.118 4.041 4.265 . 0 0 "[ . 1 . 2]" 1
142 1 6 ARG H 1 7 SER QB 5.610 . 5.610 5.525 5.089 5.738 0.128 9 0 "[ . 1 . 2]" 1
143 1 6 ARG H 1 13 GLU HA 5.540 . 5.540 4.469 4.177 4.736 . 0 0 "[ . 1 . 2]" 1
144 1 6 ARG H 1 14 PHE H 5.780 . 5.780 4.786 4.656 5.036 . 0 0 "[ . 1 . 2]" 1
145 1 6 ARG HA 1 7 SER H 3.420 . 3.420 2.164 2.103 2.204 . 0 0 "[ . 1 . 2]" 1
146 1 6 ARG HA 1 7 SER HB2 5.370 . 5.370 4.650 4.323 4.837 . 0 0 "[ . 1 . 2]" 1
147 1 6 ARG HA 1 7 SER HB3 5.370 . 5.370 4.685 4.457 5.551 0.181 20 0 "[ . 1 . 2]" 1
148 1 6 ARG HA 1 14 PHE H 4.660 . 4.660 3.251 2.856 3.565 . 0 0 "[ . 1 . 2]" 1
149 1 6 ARG HA 1 14 PHE QD 4.940 . 4.940 3.474 2.989 4.026 . 0 0 "[ . 1 . 2]" 1
150 1 6 ARG HA 1 14 PHE QE 5.760 . 5.760 4.064 3.635 4.714 . 0 0 "[ . 1 . 2]" 1
151 1 6 ARG QB 1 6 ARG HE 4.760 . 4.760 4.046 3.946 4.168 . 0 0 "[ . 1 . 2]" 1
152 1 6 ARG QB 1 7 SER H 4.500 . 4.500 3.808 3.564 3.910 . 0 0 "[ . 1 . 2]" 1
153 1 6 ARG QB 1 13 GLU HA 5.080 . 5.080 3.048 2.603 3.669 . 0 0 "[ . 1 . 2]" 1
154 1 6 ARG HB2 1 6 ARG HE 5.480 . 5.480 4.554 4.293 4.741 . 0 0 "[ . 1 . 2]" 1
155 1 6 ARG HB3 1 6 ARG HE 5.480 . 5.480 4.540 4.440 4.804 . 0 0 "[ . 1 . 2]" 1
156 1 6 ARG HD2 1 7 SER H 5.780 . 5.780 5.468 4.214 5.859 0.079 17 0 "[ . 1 . 2]" 1
157 1 6 ARG HD3 1 7 SER H 5.780 . 5.780 5.165 2.628 5.855 0.075 3 0 "[ . 1 . 2]" 1
158 1 6 ARG QG 1 7 SER H 4.730 . 4.730 2.921 2.377 3.203 . 0 0 "[ . 1 . 2]" 1
159 1 6 ARG QG 1 13 GLU HA 5.610 . 5.610 2.847 2.413 3.597 . 0 0 "[ . 1 . 2]" 1
160 1 6 ARG HG2 1 7 SER H 5.370 . 5.370 3.218 2.628 3.618 . 0 0 "[ . 1 . 2]" 1
161 1 6 ARG HG2 1 7 SER HA 5.780 . 5.780 4.421 3.779 4.969 . 0 0 "[ . 1 . 2]" 1
162 1 6 ARG HG2 1 11 ASN HA 5.780 . 5.780 3.906 3.196 4.722 . 0 0 "[ . 1 . 2]" 1
163 1 6 ARG HG3 1 7 SER H 5.370 . 5.370 3.548 2.580 4.615 . 0 0 "[ . 1 . 2]" 1
164 1 6 ARG HG3 1 7 SER HA 5.780 . 5.780 5.497 5.117 6.010 0.230 20 0 "[ . 1 . 2]" 1
165 1 6 ARG HG3 1 11 ASN HA 5.780 . 5.780 4.483 3.775 5.574 . 0 0 "[ . 1 . 2]" 1
166 1 7 SER H 1 7 SER HB2 4.200 . 4.200 2.801 2.622 3.028 . 0 0 "[ . 1 . 2]" 1
167 1 7 SER H 1 7 SER QB 3.620 . 3.620 2.362 2.208 2.628 . 0 0 "[ . 1 . 2]" 1
168 1 7 SER H 1 7 SER HB3 4.200 . 4.200 2.587 2.344 3.792 . 0 0 "[ . 1 . 2]" 1
169 1 7 SER H 1 8 GLU H 5.780 . 5.780 4.396 4.133 4.623 . 0 0 "[ . 1 . 2]" 1
170 1 7 SER H 1 11 ASN H 5.780 . 5.780 4.929 4.534 5.325 . 0 0 "[ . 1 . 2]" 1
171 1 7 SER H 1 12 LYS H 4.990 . 4.990 4.242 3.385 5.045 0.055 19 0 "[ . 1 . 2]" 1
172 1 7 SER H 1 13 GLU HA 4.780 . 4.780 3.342 2.820 3.788 . 0 0 "[ . 1 . 2]" 1
173 1 7 SER H 1 14 PHE QD 4.790 . 4.790 3.405 2.778 4.249 . 0 0 "[ . 1 . 2]" 1
174 1 7 SER H 1 14 PHE QE 5.150 . 5.150 2.649 2.146 3.567 . 0 0 "[ . 1 . 2]" 1
175 1 7 SER H 1 32 LYS QD 5.500 . 5.500 3.823 3.067 4.877 . 0 0 "[ . 1 . 2]" 1
176 1 7 SER HA 1 32 LYS QD 5.210 . 5.210 3.091 2.440 4.358 . 0 0 "[ . 1 . 2]" 1
177 1 7 SER QB 1 9 CYS H 5.610 . 5.610 3.783 2.918 4.278 . 0 0 "[ . 1 . 2]" 1
178 1 7 SER QB 1 10 THR H 5.430 . 5.430 3.673 2.553 5.149 . 0 0 "[ . 1 . 2]" 1
179 1 7 SER QB 1 11 ASN H 4.780 . 4.780 3.966 2.648 4.344 . 0 0 "[ . 1 . 2]" 1
180 1 7 SER QB 1 14 PHE QD 4.160 . 4.160 3.612 3.193 4.167 0.007 20 0 "[ . 1 . 2]" 1
181 1 7 SER QB 1 14 PHE QE 3.980 . 3.980 1.986 1.838 2.489 . 0 0 "[ . 1 . 2]" 1
182 1 7 SER QB 1 14 PHE HZ 5.610 . 5.610 3.269 2.250 4.278 . 0 0 "[ . 1 . 2]" 1
183 1 7 SER HB2 1 10 THR MG 5.780 . 5.780 3.668 2.007 5.547 . 0 0 "[ . 1 . 2]" 1
184 1 7 SER HB2 1 14 PHE QE 4.880 . 4.880 2.316 1.862 3.302 . 0 0 "[ . 1 . 2]" 1
185 1 7 SER HB3 1 10 THR MG 5.780 . 5.780 2.515 1.699 4.392 . 0 0 "[ . 1 . 2]" 1
186 1 7 SER HB3 1 14 PHE QE 4.880 . 4.880 2.319 1.927 3.552 . 0 0 "[ . 1 . 2]" 1
187 1 8 GLU H 1 9 CYS H 5.110 . 5.110 2.499 1.993 2.683 . 0 0 "[ . 1 . 2]" 1
188 1 8 GLU HA 1 10 THR H 5.050 . 5.050 3.898 3.474 4.988 . 0 0 "[ . 1 . 2]" 1
189 1 9 CYS CB 1 36 CYS SG 3.260 . 3.260 3.049 3.007 3.076 . 0 0 "[ . 1 . 2]" 1
190 1 9 CYS H 1 10 THR H 4.600 . 4.600 2.849 2.485 4.205 . 0 0 "[ . 1 . 2]" 1
191 1 9 CYS H 1 10 THR MG 5.780 . 5.780 4.021 3.463 4.820 . 0 0 "[ . 1 . 2]" 1
192 1 9 CYS H 1 11 ASN H 5.230 . 5.230 3.741 3.286 4.111 . 0 0 "[ . 1 . 2]" 1
193 1 9 CYS QB 1 10 THR MG 4.730 . 4.730 3.567 2.812 4.796 0.066 7 0 "[ . 1 . 2]" 1
194 1 9 CYS QB 1 36 CYS HA 4.480 . 4.480 2.338 1.767 3.671 . 0 0 "[ . 1 . 2]" 1
195 1 9 CYS HB2 1 36 CYS HA 5.320 . 5.320 3.025 1.958 3.765 . 0 0 "[ . 1 . 2]" 1
196 1 9 CYS HB3 1 36 CYS HA 5.320 . 5.320 2.614 1.783 5.098 . 0 0 "[ . 1 . 2]" 1
197 1 9 CYS SG 1 36 CYS CB 3.260 . 3.260 3.061 2.984 3.103 . 0 0 "[ . 1 . 2]" 1
198 1 9 CYS SG 1 36 CYS SG 2.210 . 2.210 2.034 2.023 2.045 . 0 0 "[ . 1 . 2]" 1
199 1 10 THR H 1 10 THR MG 4.370 . 4.370 2.567 2.104 3.859 . 0 0 "[ . 1 . 2]" 1
200 1 10 THR H 1 11 ASN H 4.070 . 4.070 1.783 1.528 2.769 . 0 0 "[ . 1 . 2]" 1
201 1 10 THR H 1 11 ASN HA 5.780 . 5.780 3.924 3.678 4.517 . 0 0 "[ . 1 . 2]" 1
202 1 10 THR H 1 11 ASN HB3 4.790 . 4.790 4.958 4.495 5.133 0.343 2 0 "[ . 1 . 2]" 1
203 1 10 THR HA 1 10 THR MG 3.440 . 3.440 3.043 2.371 3.272 . 0 0 "[ . 1 . 2]" 1
204 1 10 THR HA 1 12 LYS H 5.240 . 5.240 4.400 4.104 4.992 . 0 0 "[ . 1 . 2]" 1
205 1 10 THR HB 1 11 ASN H 5.430 . 5.430 4.156 3.925 4.301 . 0 0 "[ . 1 . 2]" 1
206 1 10 THR HB 1 14 PHE QE 5.590 . 5.590 4.968 4.030 5.629 0.039 9 0 "[ . 1 . 2]" 1
207 1 10 THR HB 1 14 PHE HZ 5.780 . 5.780 4.143 3.352 4.835 . 0 0 "[ . 1 . 2]" 1
208 1 10 THR MG 1 11 ASN H 5.320 . 5.320 3.009 2.390 4.268 . 0 0 "[ . 1 . 2]" 1
209 1 10 THR MG 1 12 LYS H 5.010 . 5.010 2.423 1.522 4.631 . 0 0 "[ . 1 . 2]" 1
210 1 10 THR MG 1 14 PHE QE 5.780 . 5.780 3.161 1.890 5.020 . 0 0 "[ . 1 . 2]" 1
211 1 10 THR MG 1 35 GLU HA 5.780 . 5.780 4.217 2.624 5.288 . 0 0 "[ . 1 . 2]" 1
212 1 10 THR MG 1 35 GLU QB 4.700 . 4.700 2.464 2.029 2.934 . 0 0 "[ . 1 . 2]" 1
213 1 10 THR MG 1 35 GLU QG 3.860 . 3.860 2.703 2.019 3.776 . 0 0 "[ . 1 . 2]" 1
214 1 11 ASN H 1 12 LYS H 4.250 . 4.250 2.775 2.540 3.132 . 0 0 "[ . 1 . 2]" 1
215 1 11 ASN HB2 1 12 LYS H 5.760 . 5.760 4.474 4.244 4.645 . 0 0 "[ . 1 . 2]" 1
216 1 11 ASN HB3 1 12 LYS H 5.780 . 5.780 3.756 3.144 4.376 . 0 0 "[ . 1 . 2]" 1
217 1 12 LYS H 1 12 LYS HB2 4.350 . 4.350 2.557 2.202 3.208 . 0 0 "[ . 1 . 2]" 1
218 1 12 LYS H 1 12 LYS QB 3.680 . 3.680 2.434 2.180 2.732 . 0 0 "[ . 1 . 2]" 1
219 1 12 LYS H 1 12 LYS HB3 4.350 . 4.350 3.461 2.544 3.871 . 0 0 "[ . 1 . 2]" 1
220 1 12 LYS H 1 12 LYS QD 5.130 . 5.130 3.692 2.223 4.998 . 0 0 "[ . 1 . 2]" 1
221 1 12 LYS H 1 13 GLU H 5.500 . 5.500 4.512 4.322 4.614 . 0 0 "[ . 1 . 2]" 1
222 1 12 LYS HA 1 12 LYS QD 4.960 . 4.960 3.202 2.006 4.140 . 0 0 "[ . 1 . 2]" 1
223 1 12 LYS HA 1 13 GLU H 3.160 . 3.160 2.214 2.143 2.397 . 0 0 "[ . 1 . 2]" 1
224 1 12 LYS HA 1 13 GLU QB 5.480 . 5.480 4.448 4.058 4.582 . 0 0 "[ . 1 . 2]" 1
225 1 12 LYS QB 1 13 GLU H 4.420 . 4.420 3.014 2.290 3.819 . 0 0 "[ . 1 . 2]" 1
226 1 12 LYS QB 1 14 PHE QD 5.270 . 5.270 4.249 3.840 4.721 . 0 0 "[ . 1 . 2]" 1
227 1 12 LYS QB 1 14 PHE QE 4.860 . 4.860 3.191 2.574 3.733 . 0 0 "[ . 1 . 2]" 1
228 1 12 LYS QB 1 14 PHE HZ 4.610 . 4.610 2.947 2.335 3.577 . 0 0 "[ . 1 . 2]" 1
229 1 12 LYS HB2 1 14 PHE HZ 5.320 . 5.320 3.331 2.381 5.279 . 0 0 "[ . 1 . 2]" 1
230 1 12 LYS HB3 1 14 PHE HZ 5.320 . 5.320 3.901 2.526 5.082 . 0 0 "[ . 1 . 2]" 1
231 1 12 LYS QD 1 13 GLU H 4.970 . 4.970 4.370 2.241 5.095 0.125 4 0 "[ . 1 . 2]" 1
232 1 12 LYS QG 1 13 GLU H 5.340 . 5.340 3.730 2.358 4.518 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLU H 1 13 GLU HB2 4.130 . 4.130 3.453 2.513 3.793 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLU H 1 13 GLU HB3 4.130 . 4.130 3.030 2.582 3.679 . 0 0 "[ . 1 . 2]" 1
235 1 13 GLU H 1 13 GLU QG 4.410 . 4.410 2.429 1.920 4.082 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLU HA 1 14 PHE H 3.490 . 3.490 2.287 2.172 2.376 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLU HA 1 14 PHE QD 4.700 . 4.700 3.667 3.346 4.050 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLU HA 1 14 PHE QE 5.730 . 5.730 4.413 4.113 4.806 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLU HB2 1 14 PHE H 5.080 . 5.080 3.019 2.518 4.179 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLU HB3 1 14 PHE H 5.080 . 5.080 3.718 2.662 4.132 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE H 1 14 PHE QD 4.060 . 4.060 3.093 2.790 3.342 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE H 1 14 PHE QE 5.780 . 5.780 4.801 4.570 5.123 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE HA 1 14 PHE QD 4.090 . 4.090 2.803 2.699 2.920 . 0 0 "[ . 1 . 2]" 1
244 1 14 PHE HA 1 14 PHE QE 4.700 . 4.700 4.723 4.660 4.844 0.144 12 0 "[ . 1 . 2]" 1
245 1 14 PHE HA 1 15 THR H 3.580 . 3.580 2.246 2.146 2.449 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE HA 1 15 THR HB 5.780 . 5.780 4.811 4.409 5.789 0.009 2 0 "[ . 1 . 2]" 1
247 1 14 PHE QB 1 15 THR H 4.230 . 4.230 2.920 2.477 3.303 . 0 0 "[ . 1 . 2]" 1
248 1 14 PHE QB 1 16 VAL MG1 5.160 . 5.160 4.460 3.855 4.932 . 0 0 "[ . 1 . 2]" 1
249 1 14 PHE QB 1 16 VAL MG2 5.610 . 5.610 5.308 4.954 5.622 0.012 7 0 "[ . 1 . 2]" 1
250 1 14 PHE QB 1 31 THR MG 4.910 . 4.910 2.863 2.536 3.469 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE HB2 1 15 THR H 4.830 . 4.830 3.871 3.365 4.193 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE HB2 1 31 THR MG 5.630 . 5.630 3.439 3.062 4.143 . 0 0 "[ . 1 . 2]" 1
253 1 14 PHE HB3 1 15 THR H 4.830 . 4.830 3.023 2.550 3.457 . 0 0 "[ . 1 . 2]" 1
254 1 14 PHE HB3 1 31 THR MG 5.630 . 5.630 3.072 2.667 3.721 . 0 0 "[ . 1 . 2]" 1
255 1 14 PHE QD 1 15 THR H 4.760 . 4.760 4.238 3.976 4.446 . 0 0 "[ . 1 . 2]" 1
256 1 14 PHE QD 1 31 THR MG 4.050 . 4.050 3.008 2.849 3.805 . 0 0 "[ . 1 . 2]" 1
257 1 14 PHE QD 1 32 LYS QD 5.060 . 5.060 3.498 2.744 4.677 . 0 0 "[ . 1 . 2]" 1
258 1 14 PHE QD 1 35 GLU QG 5.050 . 5.050 4.317 3.951 4.598 . 0 0 "[ . 1 . 2]" 1
259 1 14 PHE QE 1 31 THR MG 4.320 . 4.320 3.221 2.909 4.100 . 0 0 "[ . 1 . 2]" 1
260 1 14 PHE QE 1 32 LYS HA 5.780 . 5.780 3.975 2.190 4.985 . 0 0 "[ . 1 . 2]" 1
261 1 14 PHE QE 1 32 LYS QD 4.390 . 4.390 3.540 2.973 3.842 . 0 0 "[ . 1 . 2]" 1
262 1 14 PHE QE 1 32 LYS QG 5.490 . 5.490 4.753 1.921 5.425 . 0 0 "[ . 1 . 2]" 1
263 1 14 PHE QE 1 35 GLU HG2 5.050 . 5.050 3.733 2.244 4.225 . 0 0 "[ . 1 . 2]" 1
264 1 14 PHE QE 1 35 GLU QG 4.180 . 4.180 2.693 2.224 3.288 . 0 0 "[ . 1 . 2]" 1
265 1 14 PHE QE 1 35 GLU HG3 5.050 . 5.050 2.934 2.505 4.629 . 0 0 "[ . 1 . 2]" 1
266 1 14 PHE HZ 1 31 THR MG 4.870 . 4.870 3.776 3.302 4.759 . 0 0 "[ . 1 . 2]" 1
267 1 14 PHE HZ 1 32 LYS QD 5.590 . 5.590 5.563 4.820 5.776 0.186 20 0 "[ . 1 . 2]" 1
268 1 14 PHE HZ 1 35 GLU HA 5.780 . 5.780 5.458 5.141 5.910 0.130 10 0 "[ . 1 . 2]" 1
269 1 14 PHE HZ 1 35 GLU HB2 5.780 . 5.780 4.225 2.746 5.043 . 0 0 "[ . 1 . 2]" 1
270 1 14 PHE HZ 1 35 GLU HB3 5.780 . 5.780 3.874 2.863 4.415 . 0 0 "[ . 1 . 2]" 1
271 1 14 PHE HZ 1 35 GLU HG2 5.260 . 5.260 3.487 2.184 3.969 . 0 0 "[ . 1 . 2]" 1
272 1 14 PHE HZ 1 35 GLU QG 4.490 . 4.490 2.238 1.863 3.276 . 0 0 "[ . 1 . 2]" 1
273 1 14 PHE HZ 1 35 GLU HG3 5.260 . 5.260 2.487 1.873 4.917 . 0 0 "[ . 1 . 2]" 1
274 1 15 THR H 1 15 THR HB 4.050 . 4.050 2.952 2.565 3.823 . 0 0 "[ . 1 . 2]" 1
275 1 15 THR H 1 15 THR MG 4.780 . 4.780 3.771 3.075 4.000 . 0 0 "[ . 1 . 2]" 1
276 1 15 THR HA 1 16 VAL H 3.490 . 3.490 2.200 2.144 2.273 . 0 0 "[ . 1 . 2]" 1
277 1 15 THR HA 1 16 VAL HB 5.310 . 5.310 4.546 4.372 4.667 . 0 0 "[ . 1 . 2]" 1
278 1 15 THR HA 1 16 VAL MG1 4.940 . 4.940 3.911 3.569 4.124 . 0 0 "[ . 1 . 2]" 1
279 1 15 THR HB 1 16 VAL H 5.780 . 5.780 4.137 3.377 4.414 . 0 0 "[ . 1 . 2]" 1
280 1 15 THR HB 1 16 VAL HB 5.780 . 5.780 5.925 5.810 6.043 0.263 17 0 "[ . 1 . 2]" 1
281 1 16 VAL H 1 16 VAL HB 4.210 . 4.210 3.091 2.806 3.250 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL H 1 16 VAL MG1 4.000 . 4.000 2.316 2.187 2.404 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL H 1 24 VAL MG1 5.780 . 5.780 4.709 4.245 4.999 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL H 1 24 VAL MG2 5.780 . 5.780 5.316 4.854 5.737 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL HA 1 17 CYS H 3.500 . 3.500 2.142 2.088 2.247 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL HB 1 17 CYS H 5.580 . 5.580 4.293 4.129 4.416 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL HB 1 28 ALA MB 5.780 . 5.780 5.329 4.788 5.909 0.129 18 0 "[ . 1 . 2]" 1
288 1 16 VAL MG1 1 17 CYS H 4.360 . 4.360 4.021 3.661 4.246 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL MG1 1 18 ARG H 5.110 . 5.110 4.058 3.375 4.845 . 0 0 "[ . 1 . 2]" 1
290 1 16 VAL MG1 1 24 VAL HA 4.150 . 4.150 2.969 2.522 3.649 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL MG1 1 24 VAL MG1 3.970 . 3.970 2.236 1.845 2.723 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL MG1 1 27 GLU H 5.780 . 5.780 4.655 4.285 5.324 . 0 0 "[ . 1 . 2]" 1
293 1 16 VAL MG1 1 27 GLU HB2 4.350 . 4.350 2.638 1.990 3.415 . 0 0 "[ . 1 . 2]" 1
294 1 16 VAL MG1 1 28 ALA H 5.100 . 5.100 3.843 3.553 4.313 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL MG1 1 28 ALA HA 4.430 . 4.430 3.731 3.359 4.076 . 0 0 "[ . 1 . 2]" 1
296 1 16 VAL MG1 1 28 ALA MB 4.140 . 4.140 3.222 2.720 3.770 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL MG1 1 31 THR MG 5.780 . 5.780 5.297 4.686 5.641 . 0 0 "[ . 1 . 2]" 1
298 1 16 VAL MG2 1 17 CYS H 4.400 . 4.400 2.803 2.334 3.128 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL MG2 1 18 ARG H 5.780 . 5.780 3.837 3.229 4.412 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL MG2 1 18 ARG QG 5.610 . 5.610 2.606 1.749 3.920 . 0 0 "[ . 1 . 2]" 1
301 1 16 VAL MG2 1 24 VAL HA 4.490 . 4.490 3.599 3.159 4.058 . 0 0 "[ . 1 . 2]" 1
302 1 16 VAL MG2 1 27 GLU H 5.450 . 5.450 4.817 4.330 5.406 . 0 0 "[ . 1 . 2]" 1
303 1 16 VAL MG2 1 27 GLU HB2 4.750 . 4.750 2.785 2.191 3.324 . 0 0 "[ . 1 . 2]" 1
304 1 16 VAL MG2 1 27 GLU HB3 4.460 . 4.460 2.497 1.842 3.398 . 0 0 "[ . 1 . 2]" 1
305 1 16 VAL MG2 1 27 GLU QG 4.410 . 4.410 2.391 1.993 3.332 . 0 0 "[ . 1 . 2]" 1
306 1 16 VAL MG2 1 31 THR MG 5.780 . 5.780 5.534 4.812 5.874 0.094 17 0 "[ . 1 . 2]" 1
307 1 17 CYS H 1 24 VAL MG2 5.230 . 5.230 5.129 4.511 5.342 0.112 18 0 "[ . 1 . 2]" 1
308 1 17 CYS HA 1 18 ARG H 3.340 . 3.340 2.213 2.101 2.366 . 0 0 "[ . 1 . 2]" 1
309 1 17 CYS HA 1 24 VAL MG2 4.830 . 4.830 3.898 3.425 4.405 . 0 0 "[ . 1 . 2]" 1
310 1 17 CYS QB 1 18 ARG H 4.430 . 4.430 3.723 3.173 4.033 . 0 0 "[ . 1 . 2]" 1
311 1 17 CYS HB2 1 18 ARG H 5.290 . 5.290 4.537 4.262 4.713 . 0 0 "[ . 1 . 2]" 1
312 1 17 CYS HB3 1 18 ARG H 5.290 . 5.290 3.971 3.273 4.418 . 0 0 "[ . 1 . 2]" 1
313 1 18 ARG H 1 18 ARG QD 5.610 . 5.610 3.856 2.682 4.696 . 0 0 "[ . 1 . 2]" 1
314 1 18 ARG H 1 18 ARG QG 4.960 . 4.960 3.330 2.530 4.153 . 0 0 "[ . 1 . 2]" 1
315 1 18 ARG H 1 19 PRO QD 5.200 . 5.200 4.461 4.266 4.556 . 0 0 "[ . 1 . 2]" 1
316 1 18 ARG H 1 24 VAL MG1 5.690 . 5.690 4.615 4.028 5.102 . 0 0 "[ . 1 . 2]" 1
317 1 18 ARG H 1 24 VAL MG2 3.810 . 3.810 2.637 2.158 3.082 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG HA 1 18 ARG HD2 4.550 . 4.550 3.172 2.229 4.817 0.267 13 0 "[ . 1 . 2]" 1
319 1 18 ARG HA 1 18 ARG QD 3.910 . 3.910 2.600 2.117 4.195 0.285 13 0 "[ . 1 . 2]" 1
320 1 18 ARG HA 1 18 ARG HD3 4.550 . 4.550 3.101 2.161 4.616 0.066 13 0 "[ . 1 . 2]" 1
321 1 18 ARG HA 1 19 PRO QD 3.560 . 3.560 2.186 1.941 2.432 . 0 0 "[ . 1 . 2]" 1
322 1 18 ARG QB 1 19 PRO QD 3.390 . 3.390 2.428 2.039 2.905 . 0 0 "[ . 1 . 2]" 1
323 1 18 ARG QB 1 20 ASN H 3.930 . 3.930 2.707 2.277 3.173 . 0 0 "[ . 1 . 2]" 1
324 1 18 ARG QB 1 20 ASN QD 5.000 . 5.000 4.613 3.086 5.123 0.123 1 0 "[ . 1 . 2]" 1
325 1 18 ARG QB 1 24 VAL H 4.580 . 4.580 3.047 2.766 3.375 . 0 0 "[ . 1 . 2]" 1
326 1 18 ARG QB 1 24 VAL HA 5.190 . 5.190 3.369 2.704 3.924 . 0 0 "[ . 1 . 2]" 1
327 1 18 ARG QB 1 24 VAL MG2 3.570 . 3.570 1.852 1.671 2.041 . 0 0 "[ . 1 . 2]" 1
328 1 18 ARG HB2 1 24 VAL H 5.210 . 5.210 3.253 2.858 3.664 . 0 0 "[ . 1 . 2]" 1
329 1 18 ARG HB2 1 24 VAL MG2 4.240 . 4.240 1.871 1.678 2.117 . 0 0 "[ . 1 . 2]" 1
330 1 18 ARG HB3 1 24 VAL H 5.210 . 5.210 3.737 3.357 4.156 . 0 0 "[ . 1 . 2]" 1
331 1 18 ARG HB3 1 24 VAL MG2 4.240 . 4.240 3.076 2.675 3.437 . 0 0 "[ . 1 . 2]" 1
332 1 18 ARG HD2 1 23 GLU HB3 5.300 . 5.300 3.726 2.322 5.168 . 0 0 "[ . 1 . 2]" 1
333 1 18 ARG HD3 1 23 GLU HB3 5.300 . 5.300 3.882 2.310 4.846 . 0 0 "[ . 1 . 2]" 1
334 1 18 ARG HE 1 23 GLU HB2 5.700 . 5.700 4.819 2.323 5.652 . 0 0 "[ . 1 . 2]" 1
335 1 18 ARG HE 1 23 GLU HB3 5.780 . 5.780 3.995 1.706 5.632 . 0 0 "[ . 1 . 2]" 1
336 1 18 ARG HE 1 24 VAL MG2 5.270 . 5.270 4.958 4.500 5.358 0.088 12 0 "[ . 1 . 2]" 1
337 1 18 ARG QG 1 23 GLU HB2 4.340 . 4.340 2.769 2.300 4.275 . 0 0 "[ . 1 . 2]" 1
338 1 18 ARG QG 1 23 GLU HB3 4.210 . 4.210 2.410 1.983 3.951 . 0 0 "[ . 1 . 2]" 1
339 1 18 ARG QG 1 24 VAL H 5.030 . 5.030 3.597 2.965 4.898 . 0 0 "[ . 1 . 2]" 1
340 1 18 ARG QG 1 24 VAL HA 4.790 . 4.790 3.126 2.583 4.101 . 0 0 "[ . 1 . 2]" 1
341 1 18 ARG HG2 1 23 GLU HB2 4.990 . 4.990 3.700 2.337 4.673 . 0 0 "[ . 1 . 2]" 1
342 1 18 ARG HG2 1 24 VAL H 5.780 . 5.780 4.461 3.683 5.826 0.046 13 0 "[ . 1 . 2]" 1
343 1 18 ARG HG3 1 23 GLU HB2 4.990 . 4.990 3.145 2.446 4.952 . 0 0 "[ . 1 . 2]" 1
344 1 18 ARG HG3 1 24 VAL H 5.780 . 5.780 4.178 3.015 5.525 . 0 0 "[ . 1 . 2]" 1
345 1 19 PRO QD 1 20 ASN H 4.700 . 4.700 2.887 2.571 3.243 . 0 0 "[ . 1 . 2]" 1
346 1 19 PRO QD 1 23 GLU HB2 3.900 . 3.900 3.779 3.145 4.010 0.110 5 0 "[ . 1 . 2]" 1
347 1 20 ASN H 1 20 ASN QD 5.120 . 5.120 3.689 1.961 4.399 . 0 0 "[ . 1 . 2]" 1
348 1 20 ASN H 1 21 PRO QD 5.780 . 5.780 4.341 4.181 4.463 . 0 0 "[ . 1 . 2]" 1
349 1 20 ASN H 1 23 GLU HB2 4.650 . 4.650 3.587 3.148 4.360 . 0 0 "[ . 1 . 2]" 1
350 1 20 ASN H 1 24 VAL H 5.280 . 5.280 4.732 4.348 5.245 . 0 0 "[ . 1 . 2]" 1
351 1 20 ASN H 1 24 VAL MG2 5.410 . 5.410 3.892 3.210 4.632 . 0 0 "[ . 1 . 2]" 1
352 1 20 ASN HA 1 21 PRO QD 3.110 . 3.110 2.042 1.889 2.277 . 0 0 "[ . 1 . 2]" 1
353 1 20 ASN HA 1 22 GLU H 5.400 . 5.400 3.981 3.514 4.268 . 0 0 "[ . 1 . 2]" 1
354 1 20 ASN HB2 1 21 PRO QD 4.000 . 4.000 2.840 2.046 4.228 0.228 5 0 "[ . 1 . 2]" 1
355 1 20 ASN HB2 1 22 GLU H 4.920 . 4.920 2.950 2.564 3.801 . 0 0 "[ . 1 . 2]" 1
356 1 20 ASN HB2 1 23 GLU H 5.270 . 5.270 3.754 2.287 4.328 . 0 0 "[ . 1 . 2]" 1
357 1 20 ASN HB3 1 21 PRO QD 3.990 . 3.990 3.450 2.837 3.902 . 0 0 "[ . 1 . 2]" 1
358 1 20 ASN HB3 1 22 GLU H 5.000 . 5.000 4.014 2.288 4.755 . 0 0 "[ . 1 . 2]" 1
359 1 20 ASN HB3 1 23 GLU H 5.050 . 5.050 4.589 2.447 5.171 0.121 9 0 "[ . 1 . 2]" 1
360 1 20 ASN QD 1 23 GLU QG 4.260 . 4.260 2.281 1.571 3.867 . 0 0 "[ . 1 . 2]" 1
361 1 20 ASN HD21 1 22 GLU HB2 5.780 . 5.780 4.015 1.692 6.041 0.261 20 0 "[ . 1 . 2]" 1
362 1 20 ASN HD21 1 22 GLU HB3 5.780 . 5.780 3.780 1.884 6.079 0.299 19 0 "[ . 1 . 2]" 1
363 1 20 ASN HD21 1 23 GLU HB2 5.780 . 5.780 4.683 3.673 5.780 . 0 0 "[ . 1 . 2]" 1
364 1 20 ASN HD22 1 22 GLU HB2 5.780 . 5.780 4.339 2.117 5.995 0.215 12 0 "[ . 1 . 2]" 1
365 1 20 ASN HD22 1 22 GLU HB3 5.780 . 5.780 3.851 2.408 5.417 . 0 0 "[ . 1 . 2]" 1
366 1 20 ASN HD22 1 23 GLU HB2 5.780 . 5.780 4.215 3.319 5.840 0.060 12 0 "[ . 1 . 2]" 1
367 1 21 PRO HA 1 24 VAL H 4.430 . 4.430 3.242 2.964 3.602 . 0 0 "[ . 1 . 2]" 1
368 1 21 PRO HA 1 24 VAL HB 4.710 . 4.710 2.292 1.962 2.699 . 0 0 "[ . 1 . 2]" 1
369 1 21 PRO HA 1 24 VAL MG1 4.810 . 4.810 3.652 3.323 4.074 . 0 0 "[ . 1 . 2]" 1
370 1 21 PRO HA 1 24 VAL MG2 3.980 . 3.980 2.541 2.105 3.084 . 0 0 "[ . 1 . 2]" 1
371 1 21 PRO QD 1 22 GLU H 4.020 . 4.020 2.854 2.584 3.118 . 0 0 "[ . 1 . 2]" 1
372 1 21 PRO QD 1 23 GLU H 5.760 . 5.760 4.900 4.427 5.134 . 0 0 "[ . 1 . 2]" 1
373 1 22 GLU H 1 22 GLU HB2 3.680 . 3.680 2.443 2.070 2.682 . 0 0 "[ . 1 . 2]" 1
374 1 22 GLU H 1 22 GLU HB3 3.680 . 3.680 2.942 2.432 3.677 . 0 0 "[ . 1 . 2]" 1
375 1 22 GLU H 1 22 GLU QG 4.240 . 4.240 3.746 2.901 4.089 . 0 0 "[ . 1 . 2]" 1
376 1 22 GLU H 1 23 GLU H 3.730 . 3.730 2.780 2.559 2.968 . 0 0 "[ . 1 . 2]" 1
377 1 22 GLU H 1 24 VAL H 5.270 . 5.270 3.980 3.734 4.119 . 0 0 "[ . 1 . 2]" 1
378 1 22 GLU H 1 25 GLU QG 4.870 . 4.870 4.596 4.216 4.950 0.080 12 0 "[ . 1 . 2]" 1
379 1 22 GLU HA 1 22 GLU QG 3.500 . 3.500 2.554 2.396 3.162 . 0 0 "[ . 1 . 2]" 1
380 1 22 GLU HA 1 25 GLU QB 4.420 . 4.420 3.534 2.791 4.530 0.110 5 0 "[ . 1 . 2]" 1
381 1 22 GLU HA 1 25 GLU QG 4.750 . 4.750 3.130 2.338 4.226 . 0 0 "[ . 1 . 2]" 1
382 1 22 GLU HA 1 26 LYS H 5.160 . 5.160 4.815 4.289 5.197 0.037 2 0 "[ . 1 . 2]" 1
383 1 22 GLU QB 1 23 GLU H 3.600 . 3.600 2.448 2.215 2.822 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLU QG 1 23 GLU H 5.200 . 5.200 4.009 3.188 4.657 . 0 0 "[ . 1 . 2]" 1
385 1 23 GLU H 1 23 GLU HB2 3.650 . 3.650 2.428 2.223 2.601 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLU H 1 23 GLU QG 4.160 . 4.160 2.538 2.212 3.756 . 0 0 "[ . 1 . 2]" 1
387 1 23 GLU H 1 24 VAL H 3.760 . 3.760 2.593 2.467 2.708 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLU H 1 24 VAL MG2 5.190 . 5.190 4.093 3.779 4.323 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLU H 1 26 LYS QB 5.550 . 5.550 5.319 4.421 5.769 0.219 15 0 "[ . 1 . 2]" 1
390 1 23 GLU HA 1 26 LYS H 4.140 . 4.140 3.592 3.262 4.176 0.036 13 0 "[ . 1 . 2]" 1
391 1 23 GLU HA 1 26 LYS QB 4.070 . 4.070 2.961 2.145 3.502 . 0 0 "[ . 1 . 2]" 1
392 1 23 GLU HA 1 27 GLU H 5.000 . 5.000 4.373 3.992 4.870 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLU HB2 1 24 VAL H 4.190 . 4.190 2.780 2.584 3.198 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLU HB2 1 24 VAL MG2 4.330 . 4.330 3.568 3.218 4.231 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLU HB3 1 24 VAL H 5.400 . 5.400 3.675 3.450 3.857 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLU QG 1 24 VAL MG2 5.610 . 5.610 5.009 4.546 5.636 0.026 17 0 "[ . 1 . 2]" 1
397 1 24 VAL H 1 24 VAL HB 3.610 . 3.610 2.537 2.434 2.708 . 0 0 "[ . 1 . 2]" 1
398 1 24 VAL H 1 24 VAL MG1 4.630 . 4.630 3.814 3.788 3.840 . 0 0 "[ . 1 . 2]" 1
399 1 24 VAL H 1 24 VAL MG2 3.600 . 3.600 2.221 2.016 2.394 . 0 0 "[ . 1 . 2]" 1
400 1 24 VAL H 1 25 GLU H 4.000 . 4.000 2.792 2.673 2.913 . 0 0 "[ . 1 . 2]" 1
401 1 24 VAL H 1 26 LYS H 4.700 . 4.700 4.281 4.011 4.549 . 0 0 "[ . 1 . 2]" 1
402 1 24 VAL H 1 27 GLU QG 5.580 . 5.580 4.534 4.056 4.973 . 0 0 "[ . 1 . 2]" 1
403 1 24 VAL HA 1 24 VAL MG2 3.700 . 3.700 2.408 2.322 2.540 . 0 0 "[ . 1 . 2]" 1
404 1 24 VAL HA 1 26 LYS H 5.670 . 5.670 4.421 4.085 4.712 . 0 0 "[ . 1 . 2]" 1
405 1 24 VAL HA 1 27 GLU H 4.810 . 4.810 3.511 3.089 3.947 . 0 0 "[ . 1 . 2]" 1
406 1 24 VAL HA 1 27 GLU HB2 4.690 . 4.690 2.783 2.314 3.332 . 0 0 "[ . 1 . 2]" 1
407 1 24 VAL HA 1 27 GLU HB3 5.510 . 5.510 4.401 3.905 5.046 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL HA 1 28 ALA H 5.580 . 5.580 3.975 3.457 4.277 . 0 0 "[ . 1 . 2]" 1
409 1 24 VAL HB 1 25 GLU H 4.010 . 4.010 2.690 2.515 2.949 . 0 0 "[ . 1 . 2]" 1
410 1 24 VAL HB 1 28 ALA MB 5.780 . 5.780 4.827 4.568 5.042 . 0 0 "[ . 1 . 2]" 1
411 1 24 VAL MG1 1 25 GLU H 4.430 . 4.430 3.366 2.992 3.646 . 0 0 "[ . 1 . 2]" 1
412 1 24 VAL MG1 1 25 GLU HA 4.600 . 4.600 3.359 2.882 3.767 . 0 0 "[ . 1 . 2]" 1
413 1 24 VAL MG1 1 27 GLU H 5.780 . 5.780 4.697 4.476 4.906 . 0 0 "[ . 1 . 2]" 1
414 1 24 VAL MG1 1 27 GLU HB2 4.850 . 4.850 3.874 3.247 4.480 . 0 0 "[ . 1 . 2]" 1
415 1 24 VAL MG1 1 27 GLU QG 5.470 . 5.470 4.633 4.057 5.203 . 0 0 "[ . 1 . 2]" 1
416 1 24 VAL MG1 1 28 ALA H 5.320 . 5.320 3.852 3.465 4.084 . 0 0 "[ . 1 . 2]" 1
417 1 24 VAL MG1 1 28 ALA HA 4.990 . 4.990 4.657 4.414 5.001 0.011 5 0 "[ . 1 . 2]" 1
418 1 24 VAL MG2 1 25 GLU H 5.430 . 5.430 3.967 3.776 4.092 . 0 0 "[ . 1 . 2]" 1
419 1 24 VAL MG2 1 27 GLU QG 5.030 . 5.030 4.327 3.685 4.936 . 0 0 "[ . 1 . 2]" 1
420 1 25 GLU H 1 25 GLU QB 3.600 . 3.600 2.503 2.408 2.670 . 0 0 "[ . 1 . 2]" 1
421 1 25 GLU H 1 25 GLU HG2 4.540 . 4.540 2.761 2.057 3.712 . 0 0 "[ . 1 . 2]" 1
422 1 25 GLU H 1 25 GLU HG3 4.540 . 4.540 3.115 2.064 3.881 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLU H 1 26 LYS H 3.740 . 3.740 2.691 2.568 2.798 . 0 0 "[ . 1 . 2]" 1
424 1 25 GLU H 1 26 LYS QB 5.010 . 5.010 4.589 4.161 4.903 . 0 0 "[ . 1 . 2]" 1
425 1 25 GLU H 1 27 GLU H 4.880 . 4.880 4.221 3.974 4.431 . 0 0 "[ . 1 . 2]" 1
426 1 25 GLU HA 1 25 GLU QG 3.910 . 3.910 2.914 2.418 3.520 . 0 0 "[ . 1 . 2]" 1
427 1 25 GLU HA 1 27 GLU H 5.630 . 5.630 4.553 4.241 5.003 . 0 0 "[ . 1 . 2]" 1
428 1 25 GLU HA 1 28 ALA H 4.670 . 4.670 3.644 3.173 4.272 . 0 0 "[ . 1 . 2]" 1
429 1 25 GLU HA 1 28 ALA MB 3.950 . 3.950 2.740 2.235 3.500 . 0 0 "[ . 1 . 2]" 1
430 1 25 GLU QB 1 26 LYS H 3.750 . 3.750 2.735 2.385 3.605 . 0 0 "[ . 1 . 2]" 1
431 1 25 GLU QB 1 28 ALA MB 5.530 . 5.530 4.352 3.780 5.124 . 0 0 "[ . 1 . 2]" 1
432 1 25 GLU HG2 1 26 LYS H 5.780 . 5.780 4.463 3.084 5.121 . 0 0 "[ . 1 . 2]" 1
433 1 25 GLU HG3 1 26 LYS H 5.780 . 5.780 4.429 2.223 5.212 . 0 0 "[ . 1 . 2]" 1
434 1 26 LYS H 1 26 LYS QB 3.530 . 3.530 2.380 2.133 2.633 . 0 0 "[ . 1 . 2]" 1
435 1 26 LYS H 1 26 LYS QD 4.390 . 4.390 3.826 2.166 4.586 0.196 3 0 "[ . 1 . 2]" 1
436 1 26 LYS H 1 27 GLU H 3.810 . 3.810 2.663 2.508 2.851 . 0 0 "[ . 1 . 2]" 1
437 1 26 LYS H 1 27 GLU QG 5.390 . 5.390 4.252 3.825 4.499 . 0 0 "[ . 1 . 2]" 1
438 1 26 LYS H 1 28 ALA H 5.700 . 5.700 4.065 3.835 4.316 . 0 0 "[ . 1 . 2]" 1
439 1 26 LYS HA 1 26 LYS QD 5.030 . 5.030 3.768 2.334 4.271 . 0 0 "[ . 1 . 2]" 1
440 1 26 LYS HA 1 29 ARG QG 5.610 . 5.610 2.609 2.046 2.994 . 0 0 "[ . 1 . 2]" 1
441 1 26 LYS HA 1 30 ARG QG 5.610 . 5.610 3.632 3.012 4.868 . 0 0 "[ . 1 . 2]" 1
442 1 26 LYS QB 1 27 GLU H 3.790 . 3.790 2.509 2.226 2.814 . 0 0 "[ . 1 . 2]" 1
443 1 26 LYS QB 1 28 ALA H 5.780 . 5.780 4.657 4.431 4.810 . 0 0 "[ . 1 . 2]" 1
444 1 26 LYS QD 1 27 GLU H 5.760 . 5.760 4.532 3.497 5.237 . 0 0 "[ . 1 . 2]" 1
445 1 26 LYS QG 1 27 GLU H 5.590 . 5.590 3.956 3.394 4.487 . 0 0 "[ . 1 . 2]" 1
446 1 27 GLU H 1 27 GLU HB2 3.750 . 3.750 2.522 2.389 2.725 . 0 0 "[ . 1 . 2]" 1
447 1 27 GLU H 1 27 GLU HB3 3.770 . 3.770 3.606 3.557 3.649 . 0 0 "[ . 1 . 2]" 1
448 1 27 GLU H 1 27 GLU HG2 4.570 . 4.570 2.296 1.977 2.617 . 0 0 "[ . 1 . 2]" 1
449 1 27 GLU H 1 27 GLU HG3 4.570 . 4.570 3.696 3.433 3.949 . 0 0 "[ . 1 . 2]" 1
450 1 27 GLU H 1 28 ALA H 3.790 . 3.790 2.573 2.383 2.825 . 0 0 "[ . 1 . 2]" 1
451 1 27 GLU H 1 28 ALA MB 5.180 . 5.180 4.251 4.079 4.521 . 0 0 "[ . 1 . 2]" 1
452 1 27 GLU H 1 29 ARG H 4.860 . 4.860 4.428 4.119 4.677 . 0 0 "[ . 1 . 2]" 1
453 1 27 GLU H 1 29 ARG QG 5.610 . 5.610 4.585 4.334 4.877 . 0 0 "[ . 1 . 2]" 1
454 1 27 GLU H 1 30 ARG QG 5.610 . 5.610 5.061 4.591 5.763 0.153 20 0 "[ . 1 . 2]" 1
455 1 27 GLU H 1 31 THR H 5.780 . 5.780 5.938 5.841 6.012 0.232 6 0 "[ . 1 . 2]" 1
456 1 27 GLU HA 1 27 GLU HG2 4.150 . 4.150 3.176 2.924 3.476 . 0 0 "[ . 1 . 2]" 1
457 1 27 GLU HA 1 27 GLU QG 3.440 . 3.440 3.024 2.829 3.225 . 0 0 "[ . 1 . 2]" 1
458 1 27 GLU HA 1 27 GLU HG3 4.150 . 4.150 3.817 3.754 3.890 . 0 0 "[ . 1 . 2]" 1
459 1 27 GLU HA 1 29 ARG H 5.330 . 5.330 4.836 4.546 5.104 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLU HA 1 30 ARG H 4.400 . 4.400 3.986 3.713 4.335 . 0 0 "[ . 1 . 2]" 1
461 1 27 GLU HA 1 30 ARG QB 4.020 . 4.020 3.095 2.736 3.513 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLU HA 1 31 THR H 5.220 . 5.220 3.955 3.621 4.192 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLU HB2 1 27 GLU QG 2.700 . 2.700 2.170 2.158 2.176 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLU HB2 1 28 ALA H 4.540 . 4.540 2.696 2.461 2.950 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLU HB2 1 28 ALA MB 4.320 . 4.320 3.851 3.614 4.060 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLU HB3 1 28 ALA H 4.820 . 4.820 3.732 3.494 3.956 . 0 0 "[ . 1 . 2]" 1
467 1 27 GLU HB3 1 31 THR H 5.780 . 5.780 5.059 4.800 5.306 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLU QG 1 28 ALA H 5.190 . 5.190 4.053 3.750 4.249 . 0 0 "[ . 1 . 2]" 1
469 1 28 ALA H 1 28 ALA MB 3.570 . 3.570 2.253 2.227 2.281 . 0 0 "[ . 1 . 2]" 1
470 1 28 ALA H 1 29 ARG H 3.890 . 3.890 2.687 2.556 2.868 . 0 0 "[ . 1 . 2]" 1
471 1 28 ALA H 1 29 ARG QB 5.780 . 5.780 4.926 4.723 5.175 . 0 0 "[ . 1 . 2]" 1
472 1 28 ALA H 1 30 ARG H 5.780 . 5.780 4.093 3.948 4.431 . 0 0 "[ . 1 . 2]" 1
473 1 28 ALA H 1 30 ARG QB 5.780 . 5.780 5.062 4.759 5.424 . 0 0 "[ . 1 . 2]" 1
474 1 28 ALA HA 1 31 THR H 4.660 . 4.660 3.952 3.338 4.384 . 0 0 "[ . 1 . 2]" 1
475 1 28 ALA HA 1 31 THR HB 4.110 . 4.110 3.233 2.494 3.855 . 0 0 "[ . 1 . 2]" 1
476 1 28 ALA HA 1 31 THR MG 5.310 . 5.310 4.504 3.838 5.003 . 0 0 "[ . 1 . 2]" 1
477 1 28 ALA HA 1 32 LYS H 5.290 . 5.290 4.204 3.660 4.659 . 0 0 "[ . 1 . 2]" 1
478 1 28 ALA MB 1 29 ARG H 3.810 . 3.810 2.438 2.340 2.652 . 0 0 "[ . 1 . 2]" 1
479 1 28 ALA MB 1 29 ARG QB 5.170 . 5.170 3.787 3.621 4.108 . 0 0 "[ . 1 . 2]" 1
480 1 28 ALA MB 1 31 THR HB 5.530 . 5.530 4.683 3.936 5.178 . 0 0 "[ . 1 . 2]" 1
481 1 28 ALA MB 1 32 LYS QB 5.340 . 5.340 4.793 4.118 5.097 . 0 0 "[ . 1 . 2]" 1
482 1 29 ARG H 1 29 ARG QB 3.450 . 3.450 2.538 2.452 2.646 . 0 0 "[ . 1 . 2]" 1
483 1 29 ARG H 1 29 ARG HG2 5.070 . 5.070 2.303 2.121 2.446 . 0 0 "[ . 1 . 2]" 1
484 1 29 ARG H 1 29 ARG QG 4.450 . 4.450 2.270 2.105 2.411 . 0 0 "[ . 1 . 2]" 1
485 1 29 ARG H 1 29 ARG HG3 5.070 . 5.070 3.477 3.057 3.663 . 0 0 "[ . 1 . 2]" 1
486 1 29 ARG H 1 30 ARG H 3.760 . 3.760 2.648 2.576 2.740 . 0 0 "[ . 1 . 2]" 1
487 1 29 ARG H 1 30 ARG HA 5.780 . 5.780 5.270 5.222 5.352 . 0 0 "[ . 1 . 2]" 1
488 1 29 ARG H 1 31 THR H 4.950 . 4.950 4.300 4.093 4.438 . 0 0 "[ . 1 . 2]" 1
489 1 29 ARG H 1 31 THR HB 5.780 . 5.780 5.472 5.109 5.787 0.007 3 0 "[ . 1 . 2]" 1
490 1 29 ARG H 1 32 LYS H 5.780 . 5.780 4.909 4.633 5.106 . 0 0 "[ . 1 . 2]" 1
491 1 29 ARG HA 1 29 ARG HG2 4.430 . 4.430 3.830 3.748 3.939 . 0 0 "[ . 1 . 2]" 1
492 1 29 ARG HA 1 29 ARG HG3 4.430 . 4.430 3.830 3.756 3.918 . 0 0 "[ . 1 . 2]" 1
493 1 29 ARG HA 1 32 LYS H 4.700 . 4.700 3.791 3.169 4.204 . 0 0 "[ . 1 . 2]" 1
494 1 29 ARG HA 1 32 LYS QB 5.010 . 5.010 2.808 2.165 3.270 . 0 0 "[ . 1 . 2]" 1
495 1 29 ARG HA 1 33 GLU H 5.570 . 5.570 4.207 3.889 4.484 . 0 0 "[ . 1 . 2]" 1
496 1 29 ARG QB 1 30 ARG HE 5.160 . 5.160 4.176 3.103 5.141 . 0 0 "[ . 1 . 2]" 1
497 1 29 ARG QD 1 30 ARG H 5.780 . 5.780 4.351 4.130 4.623 . 0 0 "[ . 1 . 2]" 1
498 1 29 ARG QD 1 30 ARG HE 4.650 . 4.650 3.852 2.750 4.755 0.105 11 0 "[ . 1 . 2]" 1
499 1 29 ARG HE 1 30 ARG QB 5.460 . 5.460 5.102 4.487 5.522 0.062 1 0 "[ . 1 . 2]" 1
500 1 29 ARG HE 1 30 ARG QD 4.480 . 4.480 3.739 2.720 4.339 . 0 0 "[ . 1 . 2]" 1
501 1 29 ARG HE 1 30 ARG QG 5.610 . 5.610 3.259 2.371 5.003 . 0 0 "[ . 1 . 2]" 1
502 1 29 ARG QG 1 30 ARG HA 5.260 . 5.260 3.348 3.145 3.547 . 0 0 "[ . 1 . 2]" 1
503 1 29 ARG QG 1 30 ARG HE 5.440 . 5.440 2.645 1.777 3.304 . 0 0 "[ . 1 . 2]" 1
504 1 29 ARG QG 1 31 THR H 5.610 . 5.610 4.546 4.360 4.738 . 0 0 "[ . 1 . 2]" 1
505 1 29 ARG QG 1 33 GLU H 5.610 . 5.610 5.367 5.078 5.644 0.034 5 0 "[ . 1 . 2]" 1
506 1 29 ARG HG2 1 30 ARG H 5.030 . 5.030 2.599 2.315 3.028 . 0 0 "[ . 1 . 2]" 1
507 1 29 ARG HG3 1 30 ARG H 5.030 . 5.030 2.534 2.044 2.889 . 0 0 "[ . 1 . 2]" 1
508 1 30 ARG H 1 30 ARG QB 3.320 . 3.320 2.386 2.152 2.493 . 0 0 "[ . 1 . 2]" 1
509 1 30 ARG H 1 30 ARG HD2 5.780 . 5.780 4.796 2.983 5.037 . 0 0 "[ . 1 . 2]" 1
510 1 30 ARG H 1 30 ARG QD 4.980 . 4.980 4.106 2.942 4.462 . 0 0 "[ . 1 . 2]" 1
511 1 30 ARG H 1 30 ARG HD3 5.780 . 5.780 4.556 3.421 5.011 . 0 0 "[ . 1 . 2]" 1
512 1 30 ARG H 1 30 ARG HE 5.320 . 5.320 3.828 2.744 5.027 . 0 0 "[ . 1 . 2]" 1
513 1 30 ARG H 1 30 ARG HG2 5.420 . 5.420 2.618 2.312 4.202 . 0 0 "[ . 1 . 2]" 1
514 1 30 ARG H 1 30 ARG QG 4.760 . 4.760 2.561 2.288 3.761 . 0 0 "[ . 1 . 2]" 1
515 1 30 ARG H 1 30 ARG HG3 5.420 . 5.420 3.818 3.652 4.241 . 0 0 "[ . 1 . 2]" 1
516 1 30 ARG H 1 31 THR H 3.760 . 3.760 2.655 2.563 2.820 . 0 0 "[ . 1 . 2]" 1
517 1 30 ARG H 1 33 GLU H 5.780 . 5.780 4.812 4.609 4.927 . 0 0 "[ . 1 . 2]" 1
518 1 30 ARG H 1 33 GLU HB2 5.780 . 5.780 5.310 4.970 5.801 0.021 11 0 "[ . 1 . 2]" 1
519 1 30 ARG HA 1 33 GLU H 4.780 . 4.780 3.596 3.221 3.842 . 0 0 "[ . 1 . 2]" 1
520 1 30 ARG HA 1 33 GLU HB2 4.460 . 4.460 2.889 2.347 3.292 . 0 0 "[ . 1 . 2]" 1
521 1 30 ARG HA 1 33 GLU HB3 4.840 . 4.840 4.542 3.997 4.994 0.154 5 0 "[ . 1 . 2]" 1
522 1 30 ARG QB 1 31 THR H 3.740 . 3.740 2.611 2.412 2.939 . 0 0 "[ . 1 . 2]" 1
523 1 30 ARG QB 1 31 THR MG 5.780 . 5.780 5.184 5.018 5.430 . 0 0 "[ . 1 . 2]" 1
524 1 30 ARG QG 1 31 THR H 4.970 . 4.970 4.231 4.056 4.603 . 0 0 "[ . 1 . 2]" 1
525 1 30 ARG HG2 1 31 THR H 5.780 . 5.780 4.561 4.295 5.211 . 0 0 "[ . 1 . 2]" 1
526 1 30 ARG HG3 1 31 THR H 5.780 . 5.780 5.021 4.805 5.380 . 0 0 "[ . 1 . 2]" 1
527 1 31 THR H 1 31 THR HB 3.590 . 3.590 2.569 2.467 2.670 . 0 0 "[ . 1 . 2]" 1
528 1 31 THR H 1 32 LYS H 3.830 . 3.830 2.734 2.630 2.828 . 0 0 "[ . 1 . 2]" 1
529 1 31 THR H 1 32 LYS HA 5.700 . 5.700 5.359 5.264 5.437 . 0 0 "[ . 1 . 2]" 1
530 1 31 THR H 1 34 GLU QB 5.780 . 5.780 4.707 4.272 5.369 . 0 0 "[ . 1 . 2]" 1
531 1 31 THR HA 1 33 GLU H 5.780 . 5.780 4.608 4.408 4.826 . 0 0 "[ . 1 . 2]" 1
532 1 31 THR HA 1 34 GLU H 5.030 . 5.030 3.598 3.276 3.963 . 0 0 "[ . 1 . 2]" 1
533 1 31 THR HA 1 34 GLU QB 3.980 . 3.980 2.666 2.120 3.216 . 0 0 "[ . 1 . 2]" 1
534 1 31 THR HA 1 35 GLU H 5.780 . 5.780 4.291 3.775 4.889 . 0 0 "[ . 1 . 2]" 1
535 1 31 THR HB 1 32 LYS H 3.890 . 3.890 2.630 2.438 2.844 . 0 0 "[ . 1 . 2]" 1
536 1 31 THR HB 1 33 GLU H 5.780 . 5.780 5.205 4.951 5.423 . 0 0 "[ . 1 . 2]" 1
537 1 31 THR MG 1 32 LYS H 4.840 . 4.840 3.491 3.326 3.736 . 0 0 "[ . 1 . 2]" 1
538 1 31 THR MG 1 32 LYS HA 4.920 . 4.920 3.609 3.278 3.951 . 0 0 "[ . 1 . 2]" 1
539 1 31 THR MG 1 34 GLU H 5.780 . 5.780 4.867 4.578 5.243 . 0 0 "[ . 1 . 2]" 1
540 1 31 THR MG 1 34 GLU QB 5.780 . 5.780 3.903 3.374 4.372 . 0 0 "[ . 1 . 2]" 1
541 1 31 THR MG 1 35 GLU H 5.340 . 5.340 4.382 3.919 4.974 . 0 0 "[ . 1 . 2]" 1
542 1 31 THR MG 1 35 GLU QB 5.610 . 5.610 4.289 3.301 5.110 . 0 0 "[ . 1 . 2]" 1
543 1 31 THR MG 1 35 GLU HG2 4.880 . 4.880 3.049 2.534 3.622 . 0 0 "[ . 1 . 2]" 1
544 1 31 THR MG 1 35 GLU HG3 4.880 . 4.880 3.424 2.576 4.815 . 0 0 "[ . 1 . 2]" 1
545 1 32 LYS H 1 32 LYS QB 3.600 . 3.600 2.341 2.148 2.483 . 0 0 "[ . 1 . 2]" 1
546 1 32 LYS H 1 32 LYS QD 4.360 . 4.360 3.861 3.561 4.410 0.050 7 0 "[ . 1 . 2]" 1
547 1 32 LYS H 1 32 LYS QG 4.660 . 4.660 2.490 2.157 3.088 . 0 0 "[ . 1 . 2]" 1
548 1 32 LYS H 1 33 GLU H 3.850 . 3.850 2.773 2.623 2.908 . 0 0 "[ . 1 . 2]" 1
549 1 32 LYS HA 1 32 LYS QD 4.920 . 4.920 2.326 1.943 3.940 . 0 0 "[ . 1 . 2]" 1
550 1 32 LYS HA 1 35 GLU H 4.850 . 4.850 3.934 3.601 4.209 . 0 0 "[ . 1 . 2]" 1
551 1 32 LYS QB 1 33 GLU H 3.840 . 3.840 2.546 2.369 2.890 . 0 0 "[ . 1 . 2]" 1
552 1 32 LYS HB2 1 33 GLU H 4.450 . 4.450 2.637 2.419 3.005 . 0 0 "[ . 1 . 2]" 1
553 1 32 LYS HB3 1 33 GLU H 4.450 . 4.450 3.418 2.943 3.751 . 0 0 "[ . 1 . 2]" 1
554 1 32 LYS QD 1 33 GLU H 5.630 . 5.630 5.044 4.587 5.522 . 0 0 "[ . 1 . 2]" 1
555 1 32 LYS QG 1 33 GLU H 5.780 . 5.780 4.216 4.091 4.430 . 0 0 "[ . 1 . 2]" 1
556 1 33 GLU H 1 33 GLU HB2 3.660 . 3.660 2.489 2.377 2.678 . 0 0 "[ . 1 . 2]" 1
557 1 33 GLU H 1 33 GLU HB3 3.970 . 3.970 3.620 3.592 3.665 . 0 0 "[ . 1 . 2]" 1
558 1 33 GLU H 1 33 GLU HG2 4.570 . 4.570 2.900 2.294 3.843 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLU H 1 33 GLU QG 3.820 . 3.820 2.362 2.255 2.534 . 0 0 "[ . 1 . 2]" 1
560 1 33 GLU H 1 33 GLU HG3 4.570 . 4.570 3.231 2.281 3.866 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLU H 1 34 GLU H 3.650 . 3.650 2.618 2.520 2.801 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLU H 1 35 GLU H 5.190 . 5.190 4.293 3.959 4.525 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLU HA 1 35 GLU H 5.780 . 5.780 4.418 4.150 4.976 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU HA 1 36 CYS H 5.210 . 5.210 3.484 3.095 4.096 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU HA 1 36 CYS QB 5.090 . 5.090 2.835 2.189 3.495 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLU HB2 1 34 GLU H 3.850 . 3.850 2.824 2.338 3.093 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLU HB3 1 34 GLU H 4.320 . 4.320 3.776 3.322 4.089 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU QG 1 34 GLU H 4.640 . 4.640 4.205 3.982 4.359 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLU HG2 1 34 GLU H 5.450 . 5.450 4.731 4.287 5.264 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU HG3 1 34 GLU H 5.450 . 5.450 4.889 4.280 5.358 . 0 0 "[ . 1 . 2]" 1
571 1 34 GLU H 1 34 GLU QG 4.470 . 4.470 3.514 2.246 4.122 . 0 0 "[ . 1 . 2]" 1
572 1 34 GLU H 1 37 ARG QG 5.610 . 5.610 4.785 3.844 5.770 0.160 9 0 "[ . 1 . 2]" 1
573 1 34 GLU HA 1 37 ARG H 5.110 . 5.110 3.648 3.031 4.570 . 0 0 "[ . 1 . 2]" 1
574 1 34 GLU HA 1 37 ARG HG2 5.710 . 5.710 2.952 1.928 4.453 . 0 0 "[ . 1 . 2]" 1
575 1 34 GLU HA 1 37 ARG QG 4.880 . 4.880 2.701 1.904 3.997 . 0 0 "[ . 1 . 2]" 1
576 1 34 GLU HA 1 37 ARG HG3 5.710 . 5.710 3.459 2.085 5.721 0.011 10 0 "[ . 1 . 2]" 1
577 1 34 GLU QB 1 35 GLU H 4.220 . 4.220 2.707 2.329 3.133 . 0 0 "[ . 1 . 2]" 1
578 1 35 GLU H 1 35 GLU HG2 4.120 . 4.120 2.494 2.070 4.018 . 0 0 "[ . 1 . 2]" 1
579 1 35 GLU H 1 35 GLU QG 3.610 . 3.610 2.304 1.918 3.627 0.017 12 0 "[ . 1 . 2]" 1
580 1 35 GLU H 1 35 GLU HG3 4.120 . 4.120 3.555 1.927 4.129 0.009 12 0 "[ . 1 . 2]" 1
581 1 35 GLU H 1 36 CYS H 4.140 . 4.140 2.514 2.351 2.663 . 0 0 "[ . 1 . 2]" 1
582 1 35 GLU HA 1 35 GLU QG 3.890 . 3.890 3.064 2.533 3.544 . 0 0 "[ . 1 . 2]" 1
583 1 35 GLU HA 1 37 ARG H 5.780 . 5.780 3.960 3.644 4.526 . 0 0 "[ . 1 . 2]" 1
584 1 35 GLU QB 1 36 CYS QB 5.440 . 5.440 4.247 3.479 4.863 . 0 0 "[ . 1 . 2]" 1
585 1 35 GLU QG 1 36 CYS H 5.340 . 5.340 4.088 2.934 4.780 . 0 0 "[ . 1 . 2]" 1
586 1 36 CYS H 1 36 CYS QB 3.770 . 3.770 2.457 2.281 2.586 . 0 0 "[ . 1 . 2]" 1
587 1 36 CYS H 1 37 ARG H 4.130 . 4.130 2.492 2.224 2.809 . 0 0 "[ . 1 . 2]" 1
588 1 36 CYS HB2 1 37 ARG H 5.420 . 5.420 3.887 3.263 4.580 . 0 0 "[ . 1 . 2]" 1
589 1 36 CYS HB3 1 37 ARG H 5.420 . 5.420 4.189 3.244 4.598 . 0 0 "[ . 1 . 2]" 1
590 1 37 ARG H 1 37 ARG HB2 4.400 . 4.400 3.693 3.175 3.963 . 0 0 "[ . 1 . 2]" 1
591 1 37 ARG H 1 37 ARG QB 3.780 . 3.780 2.781 2.490 3.205 . 0 0 "[ . 1 . 2]" 1
592 1 37 ARG H 1 37 ARG HB3 4.400 . 4.400 2.883 2.534 3.391 . 0 0 "[ . 1 . 2]" 1
593 1 37 ARG H 1 37 ARG QD 5.780 . 5.780 4.286 3.341 5.052 . 0 0 "[ . 1 . 2]" 1
594 1 37 ARG H 1 37 ARG HE 5.780 . 5.780 5.088 4.181 5.845 0.065 9 0 "[ . 1 . 2]" 1
595 1 37 ARG H 1 37 ARG HG2 5.160 . 5.160 3.394 2.249 5.126 . 0 0 "[ . 1 . 2]" 1
596 1 37 ARG H 1 37 ARG QG 4.450 . 4.450 2.721 1.939 4.199 . 0 0 "[ . 1 . 2]" 1
597 1 37 ARG H 1 37 ARG HG3 5.160 . 5.160 3.173 1.949 4.734 . 0 0 "[ . 1 . 2]" 1
598 1 37 ARG H 1 38 LYS HA 5.780 . 5.780 4.971 4.205 5.537 . 0 0 "[ . 1 . 2]" 1
599 1 37 ARG HA 1 37 ARG QD 5.090 . 5.090 3.923 2.340 4.580 . 0 0 "[ . 1 . 2]" 1
600 1 37 ARG HA 1 38 LYS H 3.700 . 3.700 2.902 2.107 3.583 . 0 0 "[ . 1 . 2]" 1
601 1 37 ARG HE 1 38 LYS H 5.780 . 5.780 5.424 3.656 5.953 0.173 18 0 "[ . 1 . 2]" 1
602 1 37 ARG QG 1 38 LYS HA 4.740 . 4.740 4.120 3.332 4.927 0.187 2 0 "[ . 1 . 2]" 1
603 1 38 LYS H 1 38 LYS QD 4.960 . 4.960 3.826 2.259 4.972 0.012 10 0 "[ . 1 . 2]" 1
604 1 38 LYS H 1 38 LYS QE 5.780 . 5.780 4.539 3.210 5.497 . 0 0 "[ . 1 . 2]" 1
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