NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387627 |
1mm2   |
5555 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mm2
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 570
_Distance_constraint_stats_list.Viol_count 595
_Distance_constraint_stats_list.Viol_total 1080.161
_Distance_constraint_stats_list.Viol_max 0.817
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0908
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.106 0.067 9 0 "[ . 1 . 2]"
1 4 GLY 0.106 0.067 9 0 "[ . 1 . 2]"
1 5 SER 0.074 0.074 9 0 "[ . 1 . 2]"
1 6 ASP 0.698 0.122 16 0 "[ . 1 . 2]"
1 7 HIS 3.276 0.418 3 0 "[ . 1 . 2]"
1 8 HIS 1.330 0.167 4 0 "[ . 1 . 2]"
1 9 MET 3.089 0.520 20 1 "[ . 1 . +]"
1 10 GLU 3.785 0.339 12 0 "[ . 1 . 2]"
1 11 PHE 1.961 0.322 19 0 "[ . 1 . 2]"
1 12 CYS 5.073 0.449 19 0 "[ . 1 . 2]"
1 13 ARG 5.021 0.546 19 2 "[ . 1 . +-]"
1 14 VAL 3.576 0.349 1 0 "[ . 1 . 2]"
1 15 CYS 1.320 0.268 2 0 "[ . 1 . 2]"
1 16 LYS 1.837 0.546 19 1 "[ . 1 . +2]"
1 17 ASP 3.052 0.254 19 0 "[ . 1 . 2]"
1 18 GLY 0.126 0.081 18 0 "[ . 1 . 2]"
1 19 GLY 1.816 0.201 14 0 "[ . 1 . 2]"
1 20 GLU 1.357 0.121 4 0 "[ . 1 . 2]"
1 21 LEU 0.715 0.122 5 0 "[ . 1 . 2]"
1 22 LEU 1.664 0.193 15 0 "[ . 1 . 2]"
1 23 CYS 0.712 0.418 3 0 "[ . 1 . 2]"
1 24 CYS 4.922 0.448 8 0 "[ . 1 . 2]"
1 25 ASP 1.404 0.817 20 1 "[ . 1 . +]"
1 26 THR 0.001 0.001 7 0 "[ . 1 . 2]"
1 27 CYS 0.126 0.126 2 0 "[ . 1 . 2]"
1 28 PRO 0.320 0.072 6 0 "[ . 1 . 2]"
1 29 SER 0.805 0.198 4 0 "[ . 1 . 2]"
1 30 SER 0.228 0.063 17 0 "[ . 1 . 2]"
1 31 TYR 3.258 0.520 20 1 "[ . 1 . +]"
1 32 HIS 5.214 0.201 14 0 "[ . 1 . 2]"
1 33 ILE 0.022 0.018 5 0 "[ . 1 . 2]"
1 34 HIS 0.239 0.044 18 0 "[ . 1 . 2]"
1 35 CYS 1.799 0.349 1 0 "[ . 1 . 2]"
1 36 LEU 1.009 0.087 17 0 "[ . 1 . 2]"
1 37 ASN 3.563 0.539 9 1 "[ . +1 . 2]"
1 38 PRO 1.804 0.492 18 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 1.146 0.611 5 1 "[ + 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.136 0.043 19 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PRO 0.255 0.072 15 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.255 0.072 15 0 "[ . 1 . 2]"
1 47 GLU 3.120 0.817 20 3 "[ . *- . +]"
1 48 TRP 8.940 0.759 13 1 "[ . 1 + . 2]"
1 49 LEU 2.593 0.759 13 1 "[ . 1 + . 2]"
1 50 CYS 1.059 0.367 8 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 3.342 0.603 19 1 "[ . 1 . +2]"
1 53 CYS 3.396 0.435 19 0 "[ . 1 . 2]"
1 54 THR 1.016 0.603 19 1 "[ . 1 . +2]"
1 55 CYS 0.089 0.029 11 0 "[ . 1 . 2]"
1 56 PRO 1.622 0.486 13 0 "[ . 1 . 2]"
1 57 ALA 1.600 0.486 13 0 "[ . 1 . 2]"
1 58 LEU 0.067 0.029 11 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.010 0.010 3 0 "[ . 1 . 2]"
1 61 LYS 0.010 0.010 3 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 GLY QA 1 2 PRO HB3 6.000 . 6.000 4.858 4.382 5.173 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO QD 2.500 . 3.300 1.961 1.748 2.097 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 PRO HG2 6.000 . 6.000 4.237 3.995 4.430 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 2 PRO HG3 6.000 . 6.000 4.018 3.685 4.345 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HA 1 3 LEU H 6.000 . 6.000 2.512 2.128 3.550 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HB2 1 2 PRO QD 4.900 . 6.000 3.163 2.861 3.554 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO HB3 1 3 LEU H 6.000 . 6.000 3.907 3.093 4.378 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 4 GLY H 6.000 . 6.000 2.804 2.089 3.567 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU QB 1 4 GLY H 3.900 . 5.800 2.956 1.933 3.935 0.067 9 0 "[ . 1 . 2]" 1
10 1 4 GLY HA2 1 5 SER H 6.000 . 6.000 2.930 2.128 3.548 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLY HA3 1 5 SER H 6.000 . 6.000 2.879 2.130 3.551 . 0 0 "[ . 1 . 2]" 1
12 1 5 SER HA 1 6 ASP QB 4.600 . 6.000 4.590 3.977 5.548 . 0 0 "[ . 1 . 2]" 1
13 1 5 SER HB2 1 6 ASP H 4.900 . 6.000 3.584 1.826 4.461 0.074 9 0 "[ . 1 . 2]" 1
14 1 5 SER HB3 1 6 ASP H 6.000 . 6.000 4.158 3.073 4.631 . 0 0 "[ . 1 . 2]" 1
15 1 6 ASP H 1 6 ASP QB 3.200 . 4.500 2.566 2.124 3.042 . 0 0 "[ . 1 . 2]" 1
16 1 6 ASP HA 1 6 ASP QB 2.600 . 3.400 2.424 2.161 2.522 . 0 0 "[ . 1 . 2]" 1
17 1 6 ASP HA 1 7 HIS H 6.000 . 6.000 2.959 2.156 3.554 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASP QB 1 7 HIS HD2 5.100 . 6.000 5.586 2.172 6.122 0.122 16 0 "[ . 1 . 2]" 1
19 1 7 HIS HA 1 7 HIS HB2 2.800 . 3.800 2.536 2.274 2.844 . 0 0 "[ . 1 . 2]" 1
20 1 7 HIS HA 1 7 HIS HB3 2.900 . 3.900 2.715 2.259 3.029 . 0 0 "[ . 1 . 2]" 1
21 1 7 HIS HA 1 7 HIS HD2 4.800 . 6.000 3.721 2.089 4.583 . 0 0 "[ . 1 . 2]" 1
22 1 7 HIS HA 1 8 HIS H 6.000 . 6.000 2.915 2.049 3.565 . 0 0 "[ . 1 . 2]" 1
23 1 7 HIS HA 1 9 MET H 6.000 . 6.000 5.959 5.099 6.199 0.199 8 0 "[ . 1 . 2]" 1
24 1 7 HIS HB2 1 7 HIS HD2 3.800 . 5.600 3.604 2.806 3.968 . 0 0 "[ . 1 . 2]" 1
25 1 7 HIS HB3 1 7 HIS HD2 3.700 . 5.400 3.428 2.652 3.967 . 0 0 "[ . 1 . 2]" 1
26 1 7 HIS HB3 1 8 HIS H 6.000 . 6.000 3.551 1.357 4.546 0.143 11 0 "[ . 1 . 2]" 1
27 1 7 HIS HD2 1 23 CYS HB3 4.100 . 6.000 5.289 3.295 6.418 0.418 3 0 "[ . 1 . 2]" 1
28 1 7 HIS HD2 1 28 PRO HB3 4.400 . 6.000 4.621 2.005 6.072 0.072 6 0 "[ . 1 . 2]" 1
29 1 8 HIS HA 1 8 HIS HD2 3.800 . 5.600 3.571 2.327 4.883 . 0 0 "[ . 1 . 2]" 1
30 1 8 HIS HA 1 9 MET H 2.600 . 3.400 2.665 2.120 3.446 0.046 17 0 "[ . 1 . 2]" 1
31 1 8 HIS HA 1 28 PRO HB2 3.000 . 4.200 3.554 2.730 4.217 0.017 17 0 "[ . 1 . 2]" 1
32 1 8 HIS HA 1 28 PRO HB3 3.100 . 4.300 3.872 2.887 4.360 0.060 2 0 "[ . 1 . 2]" 1
33 1 8 HIS HB2 1 8 HIS HD2 3.200 . 4.500 3.397 2.695 3.953 . 0 0 "[ . 1 . 2]" 1
34 1 8 HIS HB2 1 9 MET H 6.000 . 6.000 3.264 1.657 4.243 . 0 0 "[ . 1 . 2]" 1
35 1 8 HIS HB2 1 9 MET HA 4.400 . 6.000 5.189 4.449 5.618 . 0 0 "[ . 1 . 2]" 1
36 1 8 HIS HB2 1 28 PRO HA 5.500 . 6.000 4.799 3.607 5.661 . 0 0 "[ . 1 . 2]" 1
37 1 8 HIS HB3 1 9 MET H 6.000 . 6.000 2.466 1.392 3.135 0.108 10 0 "[ . 1 . 2]" 1
38 1 8 HIS HD2 1 9 MET H 5.400 . 6.000 4.250 3.239 5.735 . 0 0 "[ . 1 . 2]" 1
39 1 8 HIS HD2 1 23 CYS HA 5.100 . 6.000 3.702 2.766 4.687 . 0 0 "[ . 1 . 2]" 1
40 1 8 HIS HD2 1 23 CYS HB2 3.900 . 5.800 3.613 1.968 4.714 0.032 19 0 "[ . 1 . 2]" 1
41 1 8 HIS HD2 1 23 CYS HB3 3.700 . 5.400 2.631 1.983 3.275 0.017 6 0 "[ . 1 . 2]" 1
42 1 8 HIS HD2 1 24 CYS HB2 5.000 . 6.000 5.606 4.343 6.167 0.167 4 0 "[ . 1 . 2]" 1
43 1 8 HIS HD2 1 24 CYS HB3 5.400 . 6.000 4.598 3.537 5.255 . 0 0 "[ . 1 . 2]" 1
44 1 8 HIS HD2 1 28 PRO HA 2.900 . 4.000 3.016 2.274 3.597 . 0 0 "[ . 1 . 2]" 1
45 1 8 HIS HD2 1 28 PRO HB3 5.600 . 6.000 4.949 3.866 5.796 . 0 0 "[ . 1 . 2]" 1
46 1 8 HIS HD2 1 29 SER H 4.400 . 6.000 3.641 2.606 5.320 . 0 0 "[ . 1 . 2]" 1
47 1 8 HIS HD2 1 30 SER HA 5.100 . 6.000 4.188 3.166 5.719 . 0 0 "[ . 1 . 2]" 1
48 1 8 HIS HE1 1 29 SER H 5.900 . 6.000 5.147 2.988 6.047 0.047 13 0 "[ . 1 . 2]" 1
49 1 9 MET H 1 9 MET HA 3.000 . 4.100 2.863 2.726 2.937 . 0 0 "[ . 1 . 2]" 1
50 1 9 MET H 1 9 MET HB2 2.500 . 3.300 2.377 2.050 2.826 . 0 0 "[ . 1 . 2]" 1
51 1 9 MET H 1 9 MET HB3 3.400 . 4.900 3.520 3.227 3.700 . 0 0 "[ . 1 . 2]" 1
52 1 9 MET H 1 9 MET QG 2.700 . 3.600 2.874 1.834 3.634 0.034 16 0 "[ . 1 . 2]" 1
53 1 9 MET H 1 10 GLU H 5.700 . 6.000 4.558 4.484 4.627 . 0 0 "[ . 1 . 2]" 1
54 1 9 MET H 1 28 PRO HA 4.400 . 6.000 5.090 3.765 5.835 . 0 0 "[ . 1 . 2]" 1
55 1 9 MET H 1 29 SER HA 4.600 . 6.000 4.575 3.105 6.004 0.004 9 0 "[ . 1 . 2]" 1
56 1 9 MET H 1 30 SER H 5.400 . 6.000 3.733 3.233 4.611 . 0 0 "[ . 1 . 2]" 1
57 1 9 MET HA 1 9 MET QG 2.800 . 3.800 2.377 2.018 2.716 . 0 0 "[ . 1 . 2]" 1
58 1 9 MET HA 1 10 GLU H 2.300 . 2.900 2.286 2.161 2.528 . 0 0 "[ . 1 . 2]" 1
59 1 9 MET HA 1 11 PHE H 4.400 . 6.000 3.798 3.401 4.220 . 0 0 "[ . 1 . 2]" 1
60 1 9 MET HB2 1 9 MET QG 2.500 . 3.300 2.402 2.137 2.521 . 0 0 "[ . 1 . 2]" 1
61 1 9 MET HB2 1 10 GLU H 4.000 . 6.000 3.966 3.437 4.304 . 0 0 "[ . 1 . 2]" 1
62 1 9 MET HB2 1 11 PHE H 3.500 . 5.000 3.458 2.765 4.081 . 0 0 "[ . 1 . 2]" 1
63 1 9 MET HB2 1 31 TYR HA 6.000 . 6.000 5.695 4.417 6.520 0.520 20 1 "[ . 1 . +]" 1
64 1 9 MET HB2 1 30 SER H 3.300 . 4.700 3.314 2.206 4.276 . 0 0 "[ . 1 . 2]" 1
65 1 9 MET HB3 1 9 MET QG 3.200 . 4.500 2.241 2.126 2.480 . 0 0 "[ . 1 . 2]" 1
66 1 9 MET HB3 1 11 PHE H 3.000 . 4.200 2.365 2.018 2.934 . 0 0 "[ . 1 . 2]" 1
67 1 9 MET HB3 1 30 SER H 4.800 . 6.000 4.794 3.774 6.009 0.009 4 0 "[ . 1 . 2]" 1
68 1 9 MET QG 1 10 GLU H 4.500 . 6.000 3.698 2.601 4.383 . 0 0 "[ . 1 . 2]" 1
69 1 9 MET QG 1 11 PHE H 4.400 . 6.000 4.081 3.397 4.650 . 0 0 "[ . 1 . 2]" 1
70 1 9 MET QG 1 13 ARG QB 4.300 . 6.000 4.575 3.407 5.722 . 0 0 "[ . 1 . 2]" 1
71 1 9 MET QG 1 30 SER H 4.000 . 6.000 4.143 2.937 5.537 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLU H 1 10 GLU QB 2.800 . 3.800 2.638 2.234 2.859 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU H 1 10 GLU HG2 3.000 . 4.100 2.730 1.800 4.045 0.100 17 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 10 GLU HG3 2.600 . 3.500 3.076 1.955 3.783 0.283 8 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 11 PHE H 2.800 . 3.800 2.461 2.254 2.733 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLU HA 1 10 GLU HG2 3.200 . 4.500 3.439 2.435 3.758 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU HA 1 10 GLU HG3 2.900 . 3.900 3.627 2.681 4.239 0.339 12 0 "[ . 1 . 2]" 1
78 1 10 GLU HA 1 11 PHE H 2.900 . 3.900 3.321 3.179 3.430 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU QB 1 11 PHE H 6.000 . 6.000 3.523 3.086 3.898 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLU HG2 1 11 PHE H 5.800 . 6.000 3.840 2.357 5.432 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU HG3 1 11 PHE H 4.000 . 6.000 4.243 2.977 5.444 . 0 0 "[ . 1 . 2]" 1
82 1 11 PHE H 1 11 PHE HA 2.900 . 3.900 2.915 2.868 2.944 . 0 0 "[ . 1 . 2]" 1
83 1 11 PHE H 1 11 PHE HB3 3.900 . 5.800 3.340 3.104 3.644 . 0 0 "[ . 1 . 2]" 1
84 1 11 PHE H 1 12 CYS H 4.600 . 6.000 4.189 2.505 4.433 . 0 0 "[ . 1 . 2]" 1
85 1 11 PHE H 1 13 ARG HA 5.000 . 6.000 5.978 5.639 6.146 0.146 19 0 "[ . 1 . 2]" 1
86 1 11 PHE H 1 30 SER HB2 4.600 . 6.000 4.473 3.789 5.088 . 0 0 "[ . 1 . 2]" 1
87 1 11 PHE H 1 30 SER HB3 5.500 . 6.000 5.438 4.458 6.027 0.027 5 0 "[ . 1 . 2]" 1
88 1 11 PHE HA 1 11 PHE HB2 2.400 . 3.100 2.492 2.395 2.677 . 0 0 "[ . 1 . 2]" 1
89 1 11 PHE HA 1 11 PHE HB3 2.500 . 3.300 2.434 2.270 2.540 . 0 0 "[ . 1 . 2]" 1
90 1 11 PHE HA 1 12 CYS H 2.400 . 3.100 2.440 2.257 3.422 0.322 19 0 "[ . 1 . 2]" 1
91 1 11 PHE HA 1 30 SER HB2 4.200 . 6.000 5.122 4.621 6.031 0.031 4 0 "[ . 1 . 2]" 1
92 1 11 PHE HB2 1 12 CYS H 4.700 . 6.000 2.691 1.978 4.387 . 0 0 "[ . 1 . 2]" 1
93 1 11 PHE HB2 1 16 LYS H 6.000 . 6.000 4.271 3.920 4.458 . 0 0 "[ . 1 . 2]" 1
94 1 11 PHE HB2 1 16 LYS HA 4.200 . 6.000 3.078 2.474 3.770 . 0 0 "[ . 1 . 2]" 1
95 1 11 PHE HB2 1 17 ASP HA 5.300 . 6.000 3.188 1.874 4.282 . 0 0 "[ . 1 . 2]" 1
96 1 11 PHE HB3 1 12 CYS H 3.100 . 4.300 3.876 3.325 4.604 0.304 4 0 "[ . 1 . 2]" 1
97 1 11 PHE HB3 1 16 LYS H 4.800 . 6.000 5.965 5.651 6.128 0.128 1 0 "[ . 1 . 2]" 1
98 1 11 PHE HB3 1 17 ASP H 6.000 . 6.000 5.012 4.361 5.762 . 0 0 "[ . 1 . 2]" 1
99 1 11 PHE HB3 1 17 ASP HA 4.400 . 6.000 3.790 2.467 5.081 . 0 0 "[ . 1 . 2]" 1
100 1 12 CYS H 1 12 CYS HB2 2.500 . 3.300 3.210 2.193 3.749 0.449 19 0 "[ . 1 . 2]" 1
101 1 12 CYS H 1 12 CYS HG 4.200 . 6.000 4.248 3.433 5.750 . 0 0 "[ . 1 . 2]" 1
102 1 12 CYS H 1 16 LYS HA 3.600 . 5.200 4.442 2.865 5.305 0.105 4 0 "[ . 1 . 2]" 1
103 1 12 CYS H 1 17 ASP H 3.100 . 4.300 3.507 2.992 4.364 0.064 4 0 "[ . 1 . 2]" 1
104 1 12 CYS H 1 17 ASP HA 5.000 . 6.000 4.175 3.558 4.704 . 0 0 "[ . 1 . 2]" 1
105 1 12 CYS H 1 31 TYR HA 5.700 . 6.000 5.511 4.822 6.029 0.029 19 0 "[ . 1 . 2]" 1
106 1 12 CYS HA 1 16 LYS H 5.100 . 6.000 5.086 4.302 6.028 0.028 20 0 "[ . 1 . 2]" 1
107 1 12 CYS HA 1 31 TYR HA 3.100 . 4.300 3.351 3.107 3.732 . 0 0 "[ . 1 . 2]" 1
108 1 12 CYS HA 1 32 HIS HE1 6.000 . 6.000 5.502 4.713 5.886 . 0 0 "[ . 1 . 2]" 1
109 1 12 CYS HB2 1 12 CYS HG 2.800 . 3.800 3.109 2.548 3.310 . 0 0 "[ . 1 . 2]" 1
110 1 12 CYS HB2 1 15 CYS H 3.900 . 5.800 4.502 3.691 5.009 . 0 0 "[ . 1 . 2]" 1
111 1 12 CYS HB2 1 31 TYR HA 6.000 . 6.000 2.706 1.478 4.711 0.022 20 0 "[ . 1 . 2]" 1
112 1 12 CYS HB3 1 13 ARG H 6.000 . 6.000 4.212 1.862 4.557 . 0 0 "[ . 1 . 2]" 1
113 1 12 CYS HB3 1 15 CYS H 4.400 . 6.000 3.820 2.286 5.021 . 0 0 "[ . 1 . 2]" 1
114 1 12 CYS HB3 1 16 LYS H 3.800 . 5.600 4.187 1.820 5.488 0.180 1 0 "[ . 1 . 2]" 1
115 1 12 CYS HB3 1 17 ASP H 3.500 . 5.000 3.596 2.304 4.667 . 0 0 "[ . 1 . 2]" 1
116 1 12 CYS HG 1 15 CYS H 6.000 . 6.000 2.357 1.818 3.394 . 0 0 "[ . 1 . 2]" 1
117 1 12 CYS HG 1 15 CYS HB2 6.000 . 6.000 2.972 1.557 4.954 . 0 0 "[ . 1 . 2]" 1
118 1 12 CYS HG 1 16 LYS H 4.800 . 6.000 3.852 3.382 4.730 . 0 0 "[ . 1 . 2]" 1
119 1 12 CYS HG 1 17 ASP H 3.400 . 4.800 3.767 3.424 4.555 . 0 0 "[ . 1 . 2]" 1
120 1 12 CYS HG 1 17 ASP HA 5.200 . 6.000 6.134 5.819 6.254 0.254 19 0 "[ . 1 . 2]" 1
121 1 13 ARG H 1 13 ARG HG3 4.600 . 6.000 3.644 1.526 4.769 0.474 11 0 "[ . 1 . 2]" 1
122 1 13 ARG H 1 16 LYS H 4.300 . 6.000 4.606 2.389 5.380 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG HA 1 13 ARG HD3 4.600 . 6.000 4.775 4.313 5.334 . 0 0 "[ . 1 . 2]" 1
124 1 13 ARG HA 1 13 ARG HE 6.000 . 6.000 4.990 3.749 5.755 . 0 0 "[ . 1 . 2]" 1
125 1 13 ARG HA 1 14 VAL H 3.200 . 4.500 3.370 2.627 3.575 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG HA 1 15 CYS H 5.500 . 6.000 4.758 4.073 5.622 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG HA 1 16 LYS HG2 4.500 . 6.000 5.077 3.936 6.546 0.546 19 1 "[ . 1 . +2]" 1
128 1 13 ARG QB 1 13 ARG HD2 3.600 . 5.200 2.401 2.087 3.297 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG QB 1 13 ARG HD3 3.400 . 4.900 3.100 2.113 3.326 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG QB 1 13 ARG HE 2.500 . 3.300 2.480 1.820 3.203 0.080 4 0 "[ . 1 . 2]" 1
131 1 13 ARG QB 1 30 SER H 4.700 . 6.000 4.271 3.122 5.207 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG HE 1 13 ARG HG2 2.800 . 3.800 3.570 2.264 4.005 0.205 20 0 "[ . 1 . 2]" 1
133 1 13 ARG HE 1 30 SER H 4.700 . 6.000 4.896 2.866 6.063 0.063 17 0 "[ . 1 . 2]" 1
134 1 13 ARG HE 1 31 TYR HA 4.100 . 6.000 6.025 5.550 6.163 0.163 8 0 "[ . 1 . 2]" 1
135 1 14 VAL H 1 14 VAL HA 2.900 . 3.900 2.875 2.837 2.925 . 0 0 "[ . 1 . 2]" 1
136 1 14 VAL H 1 14 VAL HB 2.400 . 3.100 2.720 2.372 3.124 0.024 11 0 "[ . 1 . 2]" 1
137 1 14 VAL H 1 15 CYS H 2.500 . 3.300 2.465 1.716 2.960 . 0 0 "[ . 1 . 2]" 1
138 1 14 VAL H 1 15 CYS HA 5.700 . 6.000 5.065 4.378 5.365 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL H 1 15 CYS HB3 6.000 . 6.000 5.625 4.535 6.268 0.268 2 0 "[ . 1 . 2]" 1
140 1 14 VAL H 1 16 LYS H 3.800 . 5.700 3.483 2.403 3.949 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL H 1 31 TYR HA 4.200 . 6.000 4.136 3.576 5.246 . 0 0 "[ . 1 . 2]" 1
142 1 14 VAL H 1 35 CYS HB3 6.000 . 6.000 3.834 2.331 4.575 . 0 0 "[ . 1 . 2]" 1
143 1 14 VAL HA 1 15 CYS H 3.600 . 5.200 3.532 3.489 3.585 . 0 0 "[ . 1 . 2]" 1
144 1 14 VAL HA 1 35 CYS HB2 6.000 . 6.000 6.025 5.551 6.349 0.349 1 0 "[ . 1 . 2]" 1
145 1 14 VAL HB 1 15 CYS H 2.200 . 2.800 2.591 1.885 2.852 0.052 5 0 "[ . 1 . 2]" 1
146 1 14 VAL HB 1 16 LYS H 4.900 . 6.000 4.683 4.119 4.987 . 0 0 "[ . 1 . 2]" 1
147 1 14 VAL HB 1 32 HIS H 5.500 . 6.000 5.276 4.758 5.842 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL HB 1 34 HIS HD2 6.000 . 6.000 5.870 4.744 6.044 0.044 18 0 "[ . 1 . 2]" 1
149 1 14 VAL HB 1 35 CYS H 5.200 . 6.000 5.333 4.689 5.561 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL HB 1 35 CYS HB2 3.000 . 4.100 3.275 2.946 3.697 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL HB 1 35 CYS HB3 2.500 . 3.300 1.760 1.603 2.023 0.097 3 0 "[ . 1 . 2]" 1
152 1 14 VAL HB 1 36 LEU H 5.200 . 6.000 5.898 5.337 6.087 0.087 17 0 "[ . 1 . 2]" 1
153 1 15 CYS H 1 15 CYS HB2 3.300 . 4.700 2.921 2.225 3.820 . 0 0 "[ . 1 . 2]" 1
154 1 15 CYS H 1 15 CYS HB3 3.000 . 4.100 3.227 2.434 3.633 . 0 0 "[ . 1 . 2]" 1
155 1 15 CYS H 1 16 LYS H 2.800 . 3.800 2.283 1.881 2.582 . 0 0 "[ . 1 . 2]" 1
156 1 15 CYS H 1 16 LYS HA 4.300 . 6.000 4.516 4.084 4.779 . 0 0 "[ . 1 . 2]" 1
157 1 15 CYS H 1 17 ASP H 4.200 . 6.000 3.590 3.336 3.872 . 0 0 "[ . 1 . 2]" 1
158 1 15 CYS H 1 35 CYS HB2 4.800 . 6.000 4.837 4.186 5.377 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS H 1 35 CYS HB3 5.400 . 6.000 3.698 3.008 4.301 . 0 0 "[ . 1 . 2]" 1
160 1 15 CYS HA 1 15 CYS HB3 2.400 . 3.100 2.527 2.330 2.630 . 0 0 "[ . 1 . 2]" 1
161 1 15 CYS HA 1 16 LYS H 6.000 . 6.000 3.390 3.262 3.472 . 0 0 "[ . 1 . 2]" 1
162 1 15 CYS HB2 1 16 LYS H 6.000 . 6.000 3.473 2.708 4.432 . 0 0 "[ . 1 . 2]" 1
163 1 15 CYS HB3 1 16 LYS H 6.000 . 6.000 3.938 3.450 4.315 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS H 1 16 LYS HA 2.200 . 2.800 2.263 2.245 2.281 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS H 1 16 LYS HB2 3.500 . 5.000 3.457 3.248 3.760 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS H 1 16 LYS HD3 6.000 . 6.000 4.940 3.528 5.669 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS H 1 16 LYS QE 6.000 . 6.000 4.840 2.991 5.996 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS H 1 16 LYS HG2 3.600 . 5.200 3.997 3.135 5.025 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS H 1 16 LYS HG3 3.400 . 4.900 3.737 2.824 5.031 0.131 17 0 "[ . 1 . 2]" 1
170 1 16 LYS H 1 17 ASP H 2.900 . 3.900 2.465 2.200 2.821 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 17 ASP HA 4.700 . 6.000 5.067 4.806 5.332 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS HA 1 16 LYS HG2 2.800 . 3.800 2.775 2.004 3.566 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS HA 1 17 ASP H 3.000 . 4.100 3.090 2.894 3.290 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS HB2 1 16 LYS HG2 2.900 . 3.900 2.767 2.410 2.982 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS HB2 1 16 LYS HG3 2.600 . 3.400 2.563 2.206 3.007 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS HB3 1 17 ASP H 3.700 . 5.400 4.232 3.977 4.487 . 0 0 "[ . 1 . 2]" 1
177 1 17 ASP HA 1 17 ASP HB2 2.800 . 3.800 2.469 2.286 2.698 . 0 0 "[ . 1 . 2]" 1
178 1 17 ASP HA 1 17 ASP HB3 2.900 . 4.000 3.005 2.965 3.032 . 0 0 "[ . 1 . 2]" 1
179 1 17 ASP HA 1 18 GLY H 6.000 . 6.000 2.334 2.151 3.123 . 0 0 "[ . 1 . 2]" 1
180 1 17 ASP HA 1 18 GLY HA3 5.200 . 6.000 4.340 4.284 4.545 . 0 0 "[ . 1 . 2]" 1
181 1 17 ASP HB3 1 18 GLY HA3 4.600 . 6.000 5.508 4.194 6.081 0.081 18 0 "[ . 1 . 2]" 1
182 1 18 GLY HA3 1 19 GLY H 6.000 . 6.000 2.958 2.129 3.573 . 0 0 "[ . 1 . 2]" 1
183 1 19 GLY H 1 19 GLY HA2 2.800 . 3.800 2.666 2.293 2.957 . 0 0 "[ . 1 . 2]" 1
184 1 19 GLY H 1 21 LEU HG 4.000 . 6.000 4.030 2.816 4.955 . 0 0 "[ . 1 . 2]" 1
185 1 19 GLY HA2 1 20 GLU H 3.300 . 4.700 3.413 3.214 3.533 . 0 0 "[ . 1 . 2]" 1
186 1 19 GLY HA2 1 32 HIS HE1 6.000 . 6.000 6.036 5.561 6.201 0.201 14 0 "[ . 1 . 2]" 1
187 1 19 GLY HA3 1 20 GLU H 2.300 . 3.000 2.346 2.116 2.923 . 0 0 "[ . 1 . 2]" 1
188 1 19 GLY HA3 1 20 GLU HB2 6.000 . 6.000 4.261 4.061 4.723 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLY HA3 1 20 GLU HB3 6.000 . 6.000 5.440 5.032 5.926 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLY HA3 1 32 HIS HE1 4.500 . 6.000 5.082 4.295 6.069 0.069 19 0 "[ . 1 . 2]" 1
191 1 20 GLU H 1 20 GLU HA 2.800 . 3.800 2.905 2.839 2.948 . 0 0 "[ . 1 . 2]" 1
192 1 20 GLU H 1 20 GLU HB2 2.600 . 3.400 2.256 2.044 3.049 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLU H 1 20 GLU HB3 3.200 . 4.500 3.208 2.822 3.705 . 0 0 "[ . 1 . 2]" 1
194 1 20 GLU H 1 20 GLU HG2 4.300 . 6.000 4.362 3.233 5.063 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLU H 1 20 GLU HG3 4.900 . 6.000 4.362 3.562 4.730 . 0 0 "[ . 1 . 2]" 1
196 1 20 GLU H 1 21 LEU H 4.200 . 6.000 3.963 3.585 4.603 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLU H 1 32 HIS HE1 4.400 . 6.000 4.458 3.575 5.156 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLU HA 1 21 LEU H 6.000 . 6.000 2.477 2.356 2.554 . 0 0 "[ . 1 . 2]" 1
199 1 20 GLU HB2 1 21 LEU H 4.400 . 6.000 4.388 3.728 4.656 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLU HB2 1 32 HIS HE1 4.700 . 6.000 5.884 4.747 6.114 0.114 18 0 "[ . 1 . 2]" 1
201 1 20 GLU HB3 1 21 LEU H 4.900 . 6.000 3.726 2.460 4.341 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLU HB3 1 32 HIS HE1 4.200 . 6.000 5.947 5.099 6.121 0.121 4 0 "[ . 1 . 2]" 1
203 1 20 GLU HG2 1 21 LEU H 5.200 . 6.000 4.938 2.801 5.847 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLU HG3 1 21 LEU H 6.000 . 6.000 4.413 2.858 5.868 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU H 1 21 LEU HA 2.900 . 4.000 2.847 2.812 2.911 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU H 1 21 LEU HB2 2.500 . 3.300 2.393 2.122 2.911 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU H 1 21 LEU HB3 3.700 . 5.400 3.569 3.441 3.811 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU H 1 21 LEU HG 2.800 . 3.800 3.353 2.981 3.922 0.122 5 0 "[ . 1 . 2]" 1
209 1 21 LEU H 1 22 LEU H 4.700 . 6.000 4.361 4.051 4.572 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU HA 1 31 TYR H 3.700 . 5.400 4.691 4.170 5.162 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU HA 1 32 HIS HE1 4.000 . 6.000 4.725 4.412 4.880 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HB2 1 22 LEU H 4.000 . 6.000 4.336 4.145 4.493 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU HB2 1 30 SER HB2 4.500 . 6.000 5.509 4.715 6.032 0.032 4 0 "[ . 1 . 2]" 1
214 1 21 LEU HB2 1 30 SER HB3 4.500 . 6.000 4.560 3.962 5.351 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU HB3 1 22 LEU H 3.000 . 4.100 3.331 2.949 3.691 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU HB3 1 30 SER HA 4.800 . 6.000 4.430 3.848 4.879 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU HB3 1 30 SER HB3 3.400 . 4.800 3.024 2.342 3.979 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU HB3 1 31 TYR H 3.800 . 5.600 4.637 4.338 4.884 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU HG 1 30 SER HB3 5.900 . 6.000 4.784 4.321 5.265 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU HG 1 32 HIS HE1 4.300 . 6.000 4.147 3.552 4.642 . 0 0 "[ . 1 . 2]" 1
221 1 22 LEU H 1 22 LEU HB2 2.800 . 3.800 2.416 2.131 3.022 . 0 0 "[ . 1 . 2]" 1
222 1 22 LEU H 1 22 LEU HB3 2.700 . 3.600 2.978 2.401 3.273 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU H 1 22 LEU HG 4.200 . 6.000 4.617 4.305 4.726 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU H 1 23 CYS H 4.800 . 6.000 4.270 3.930 4.546 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU H 1 30 SER HA 5.100 . 6.000 4.606 4.151 5.008 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU H 1 30 SER HB2 5.200 . 6.000 5.463 4.668 6.023 0.023 4 0 "[ . 1 . 2]" 1
227 1 22 LEU H 1 30 SER HB3 5.400 . 6.000 4.669 3.970 5.825 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU H 1 31 TYR H 2.900 . 3.900 3.284 2.911 3.530 . 0 0 "[ . 1 . 2]" 1
229 1 22 LEU H 1 31 TYR HB2 4.800 . 6.000 4.600 4.301 4.958 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU H 1 32 HIS HE1 6.000 . 6.000 6.067 5.806 6.193 0.193 15 0 "[ . 1 . 2]" 1
231 1 22 LEU HA 1 22 LEU HB3 2.600 . 3.400 2.930 2.811 3.020 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU HA 1 22 LEU HG 3.300 . 4.600 2.775 2.614 3.024 . 0 0 "[ . 1 . 2]" 1
233 1 22 LEU HA 1 23 CYS H 6.000 . 6.000 2.178 2.122 2.248 . 0 0 "[ . 1 . 2]" 1
234 1 22 LEU HA 1 48 TRP HE3 5.400 . 6.000 4.331 4.011 4.842 . 0 0 "[ . 1 . 2]" 1
235 1 22 LEU HA 1 48 TRP HZ3 6.000 . 6.000 4.751 4.328 5.575 . 0 0 "[ . 1 . 2]" 1
236 1 22 LEU HB2 1 23 CYS H 4.500 . 6.000 4.518 4.347 4.635 . 0 0 "[ . 1 . 2]" 1
237 1 22 LEU HB2 1 31 TYR HB2 4.300 . 6.000 4.456 3.591 5.630 . 0 0 "[ . 1 . 2]" 1
238 1 22 LEU HB2 1 48 TRP HZ3 6.000 . 6.000 4.995 4.340 5.979 . 0 0 "[ . 1 . 2]" 1
239 1 22 LEU HB3 1 23 CYS H 3.400 . 4.800 3.934 3.391 4.461 . 0 0 "[ . 1 . 2]" 1
240 1 22 LEU HB3 1 31 TYR HB2 4.500 . 6.000 3.409 3.018 3.903 . 0 0 "[ . 1 . 2]" 1
241 1 22 LEU HB3 1 44 PRO HD2 4.000 . 6.000 5.110 4.710 5.389 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU HB3 1 48 TRP HZ3 4.700 . 6.000 3.372 2.719 4.683 . 0 0 "[ . 1 . 2]" 1
243 1 22 LEU HG 1 23 CYS H 3.600 . 5.200 3.586 3.141 3.923 . 0 0 "[ . 1 . 2]" 1
244 1 22 LEU HG 1 48 TRP HE3 2.900 . 3.900 2.884 2.393 3.371 . 0 0 "[ . 1 . 2]" 1
245 1 22 LEU HG 1 48 TRP HZ3 3.100 . 4.300 3.854 3.007 4.343 0.043 12 0 "[ . 1 . 2]" 1
246 1 23 CYS H 1 23 CYS HB2 3.300 . 4.700 3.030 2.643 3.470 . 0 0 "[ . 1 . 2]" 1
247 1 23 CYS H 1 23 CYS HB3 3.000 . 4.200 3.638 3.437 3.816 . 0 0 "[ . 1 . 2]" 1
248 1 23 CYS H 1 24 CYS H 5.500 . 6.000 4.442 4.244 4.584 . 0 0 "[ . 1 . 2]" 1
249 1 23 CYS H 1 30 SER HA 6.000 . 6.000 4.766 3.840 5.894 . 0 0 "[ . 1 . 2]" 1
250 1 23 CYS H 1 48 TRP HE3 5.300 . 6.000 3.480 2.667 4.526 . 0 0 "[ . 1 . 2]" 1
251 1 23 CYS HA 1 24 CYS H 6.000 . 6.000 2.190 2.113 2.322 . 0 0 "[ . 1 . 2]" 1
252 1 23 CYS HB2 1 24 CYS H 4.300 . 6.000 3.664 3.177 4.318 . 0 0 "[ . 1 . 2]" 1
253 1 23 CYS HB3 1 24 CYS H 4.600 . 6.000 3.372 3.004 3.797 . 0 0 "[ . 1 . 2]" 1
254 1 24 CYS H 1 24 CYS HA 3.000 . 4.100 2.837 2.814 2.870 . 0 0 "[ . 1 . 2]" 1
255 1 24 CYS H 1 24 CYS HB3 2.900 . 3.900 2.533 2.409 2.683 . 0 0 "[ . 1 . 2]" 1
256 1 24 CYS H 1 25 ASP H 5.200 . 6.000 4.585 4.540 4.613 . 0 0 "[ . 1 . 2]" 1
257 1 24 CYS H 1 27 CYS H 4.700 . 6.000 4.874 4.497 5.433 . 0 0 "[ . 1 . 2]" 1
258 1 24 CYS H 1 30 SER HA 3.600 . 5.200 3.834 2.917 4.762 . 0 0 "[ . 1 . 2]" 1
259 1 24 CYS H 1 48 TRP HE3 4.200 . 6.000 3.961 3.524 4.659 . 0 0 "[ . 1 . 2]" 1
260 1 24 CYS H 1 48 TRP HZ3 3.400 . 4.800 2.883 2.539 3.282 . 0 0 "[ . 1 . 2]" 1
261 1 24 CYS HA 1 24 CYS HB3 2.500 . 3.300 3.027 3.007 3.035 . 0 0 "[ . 1 . 2]" 1
262 1 24 CYS HA 1 25 ASP H 2.200 . 2.800 2.233 2.149 2.397 . 0 0 "[ . 1 . 2]" 1
263 1 24 CYS HA 1 29 SER H 6.000 . 6.000 5.774 5.235 6.198 0.198 4 0 "[ . 1 . 2]" 1
264 1 24 CYS HA 1 48 TRP HB3 4.200 . 6.000 4.687 4.418 4.992 . 0 0 "[ . 1 . 2]" 1
265 1 24 CYS HA 1 48 TRP HE3 2.300 . 3.000 2.928 2.713 3.041 0.041 12 0 "[ . 1 . 2]" 1
266 1 24 CYS HA 1 48 TRP HH2 5.600 . 6.000 5.156 4.495 5.638 . 0 0 "[ . 1 . 2]" 1
267 1 24 CYS HA 1 48 TRP HZ3 3.100 . 4.300 3.412 2.644 3.854 . 0 0 "[ . 1 . 2]" 1
268 1 24 CYS HA 1 49 LEU H 5.500 . 6.000 4.511 3.039 5.221 . 0 0 "[ . 1 . 2]" 1
269 1 24 CYS HA 1 50 CYS H 4.000 . 6.000 3.301 2.676 3.874 . 0 0 "[ . 1 . 2]" 1
270 1 24 CYS HB2 1 25 ASP H 6.000 . 6.000 4.030 3.862 4.185 . 0 0 "[ . 1 . 2]" 1
271 1 24 CYS HB2 1 26 THR H 3.900 . 5.800 4.069 3.758 4.648 . 0 0 "[ . 1 . 2]" 1
272 1 24 CYS HB2 1 27 CYS H 2.900 . 3.900 3.568 3.282 4.026 0.126 2 0 "[ . 1 . 2]" 1
273 1 24 CYS HB2 1 48 TRP HH2 4.100 . 6.000 4.394 4.013 4.657 . 0 0 "[ . 1 . 2]" 1
274 1 24 CYS HB2 1 48 TRP HZ3 4.100 . 6.000 3.437 3.032 3.931 . 0 0 "[ . 1 . 2]" 1
275 1 24 CYS HB2 1 50 CYS H 4.400 . 6.000 2.536 2.008 3.120 . 0 0 "[ . 1 . 2]" 1
276 1 24 CYS HB2 1 50 CYS HA 5.800 . 6.000 3.882 2.929 4.415 . 0 0 "[ . 1 . 2]" 1
277 1 24 CYS HB3 1 29 SER H 4.100 . 6.000 3.129 2.571 3.768 . 0 0 "[ . 1 . 2]" 1
278 1 24 CYS HB3 1 48 TRP HH2 5.300 . 6.000 5.969 5.584 6.079 0.079 1 0 "[ . 1 . 2]" 1
279 1 24 CYS HB3 1 48 TRP HZ3 3.200 . 4.500 4.640 4.247 4.948 0.448 8 0 "[ . 1 . 2]" 1
280 1 25 ASP H 1 26 THR H 2.700 . 3.600 2.346 2.130 2.553 . 0 0 "[ . 1 . 2]" 1
281 1 25 ASP H 1 27 CYS H 5.200 . 6.000 4.169 3.375 4.497 . 0 0 "[ . 1 . 2]" 1
282 1 25 ASP H 1 47 GLU HA 5.400 . 6.000 5.270 4.663 5.825 . 0 0 "[ . 1 . 2]" 1
283 1 25 ASP H 1 48 TRP H 3.400 . 4.800 4.213 3.630 4.754 . 0 0 "[ . 1 . 2]" 1
284 1 25 ASP H 1 48 TRP HB3 5.200 . 6.000 5.537 5.063 5.970 . 0 0 "[ . 1 . 2]" 1
285 1 25 ASP H 1 48 TRP HE3 3.700 . 5.400 4.630 3.848 5.060 . 0 0 "[ . 1 . 2]" 1
286 1 25 ASP H 1 48 TRP HZ3 5.400 . 6.000 5.611 4.728 6.041 0.041 20 0 "[ . 1 . 2]" 1
287 1 25 ASP H 1 49 LEU H 6.000 . 6.000 4.669 3.379 4.984 . 0 0 "[ . 1 . 2]" 1
288 1 25 ASP H 1 49 LEU HG 5.600 . 6.000 3.813 1.681 4.972 0.019 20 0 "[ . 1 . 2]" 1
289 1 25 ASP HB2 1 26 THR H 3.800 . 5.600 4.133 3.870 4.298 . 0 0 "[ . 1 . 2]" 1
290 1 25 ASP HB2 1 48 TRP H 3.000 . 4.100 3.526 2.603 4.101 0.001 16 0 "[ . 1 . 2]" 1
291 1 25 ASP HB2 1 49 LEU H 4.600 . 6.000 5.528 3.986 6.047 0.047 18 0 "[ . 1 . 2]" 1
292 1 25 ASP HB3 1 26 THR H 3.400 . 4.900 3.391 2.679 3.669 . 0 0 "[ . 1 . 2]" 1
293 1 25 ASP HB3 1 26 THR HA 3.600 . 5.200 4.461 4.285 4.659 . 0 0 "[ . 1 . 2]" 1
294 1 25 ASP HB3 1 47 GLU HA 4.700 . 6.000 5.054 3.409 5.878 . 0 0 "[ . 1 . 2]" 1
295 1 25 ASP HB3 1 47 GLU HB3 5.300 . 6.000 4.924 3.355 6.817 0.817 20 1 "[ . 1 . +]" 1
296 1 25 ASP HB3 1 47 GLU QG 4.500 . 6.000 4.028 2.823 6.039 0.039 10 0 "[ . 1 . 2]" 1
297 1 25 ASP HB3 1 48 TRP H 3.700 . 5.400 4.989 3.799 5.434 0.034 12 0 "[ . 1 . 2]" 1
298 1 25 ASP HB3 1 49 LEU HG 5.100 . 6.000 4.000 1.991 4.815 . 0 0 "[ . 1 . 2]" 1
299 1 26 THR H 1 26 THR HA 2.600 . 3.500 2.938 2.889 2.952 . 0 0 "[ . 1 . 2]" 1
300 1 26 THR H 1 27 CYS H 2.400 . 3.100 2.238 2.004 2.404 . 0 0 "[ . 1 . 2]" 1
301 1 26 THR H 1 27 CYS HA 5.900 . 6.000 4.822 4.665 5.015 . 0 0 "[ . 1 . 2]" 1
302 1 26 THR H 1 49 LEU HG 6.000 . 6.000 5.044 3.243 6.001 0.001 7 0 "[ . 1 . 2]" 1
303 1 26 THR H 1 50 CYS H 4.200 . 6.000 4.483 4.000 4.917 . 0 0 "[ . 1 . 2]" 1
304 1 26 THR HA 1 27 CYS H 6.000 . 6.000 3.561 3.489 3.588 . 0 0 "[ . 1 . 2]" 1
305 1 27 CYS H 1 27 CYS HA 2.900 . 3.900 2.926 2.889 2.941 . 0 0 "[ . 1 . 2]" 1
306 1 27 CYS H 1 27 CYS HB2 4.100 . 6.000 2.862 2.524 3.761 . 0 0 "[ . 1 . 2]" 1
307 1 27 CYS H 1 27 CYS HB3 3.000 . 4.100 3.572 2.799 3.702 . 0 0 "[ . 1 . 2]" 1
308 1 27 CYS H 1 28 PRO HD3 5.900 . 6.000 4.802 4.526 5.070 . 0 0 "[ . 1 . 2]" 1
309 1 27 CYS H 1 29 SER H 5.300 . 6.000 4.384 3.961 4.724 . 0 0 "[ . 1 . 2]" 1
310 1 27 CYS HA 1 27 CYS HB2 2.400 . 3.100 2.930 2.362 3.026 . 0 0 "[ . 1 . 2]" 1
311 1 27 CYS HA 1 27 CYS HB3 2.700 . 3.600 2.359 2.260 2.538 . 0 0 "[ . 1 . 2]" 1
312 1 27 CYS HA 1 28 PRO HB3 5.400 . 6.000 4.879 4.601 5.269 . 0 0 "[ . 1 . 2]" 1
313 1 27 CYS HA 1 28 PRO HD3 2.400 . 3.100 2.040 1.802 2.333 . 0 0 "[ . 1 . 2]" 1
314 1 27 CYS HA 1 28 PRO QG 5.400 . 6.000 3.874 3.591 4.106 . 0 0 "[ . 1 . 2]" 1
315 1 27 CYS HA 1 29 SER H 4.700 . 6.000 4.162 3.801 4.610 . 0 0 "[ . 1 . 2]" 1
316 1 27 CYS HB2 1 28 PRO HD3 3.800 . 5.600 4.073 2.846 4.759 . 0 0 "[ . 1 . 2]" 1
317 1 27 CYS HB2 1 29 SER H 4.300 . 6.000 2.890 2.270 4.316 . 0 0 "[ . 1 . 2]" 1
318 1 28 PRO HA 1 28 PRO HD3 4.100 . 6.000 3.883 3.640 4.032 . 0 0 "[ . 1 . 2]" 1
319 1 28 PRO HB2 1 29 SER H 6.000 . 6.000 4.292 4.040 4.365 . 0 0 "[ . 1 . 2]" 1
320 1 28 PRO HB3 1 29 SER H 4.200 . 6.000 4.646 4.587 4.682 . 0 0 "[ . 1 . 2]" 1
321 1 28 PRO HD2 1 29 SER H 4.000 . 6.000 3.546 2.983 4.303 . 0 0 "[ . 1 . 2]" 1
322 1 28 PRO HD3 1 29 SER H 3.900 . 5.800 4.347 3.868 4.788 . 0 0 "[ . 1 . 2]" 1
323 1 29 SER H 1 29 SER HB3 2.800 . 3.800 3.622 3.365 3.835 0.035 17 0 "[ . 1 . 2]" 1
324 1 29 SER H 1 30 SER H 4.400 . 6.000 4.299 3.722 4.512 . 0 0 "[ . 1 . 2]" 1
325 1 29 SER HA 1 30 SER H 2.400 . 3.100 2.210 2.112 2.465 . 0 0 "[ . 1 . 2]" 1
326 1 29 SER HB2 1 30 SER H 3.600 . 5.200 3.891 3.089 4.498 . 0 0 "[ . 1 . 2]" 1
327 1 29 SER HB3 1 30 SER H 3.500 . 5.000 3.581 3.023 4.376 . 0 0 "[ . 1 . 2]" 1
328 1 30 SER H 1 30 SER HB2 3.500 . 5.000 2.965 2.617 3.343 . 0 0 "[ . 1 . 2]" 1
329 1 30 SER H 1 31 TYR H 5.300 . 6.000 4.343 3.995 4.498 . 0 0 "[ . 1 . 2]" 1
330 1 30 SER HA 1 30 SER HB2 3.000 . 4.100 2.953 2.794 3.027 . 0 0 "[ . 1 . 2]" 1
331 1 30 SER HA 1 31 TYR H 2.300 . 3.000 2.149 2.103 2.186 . 0 0 "[ . 1 . 2]" 1
332 1 30 SER HA 1 31 TYR HB2 5.100 . 6.000 4.508 4.203 4.954 . 0 0 "[ . 1 . 2]" 1
333 1 30 SER HA 1 48 TRP HZ3 5.000 . 6.000 4.248 3.569 4.975 . 0 0 "[ . 1 . 2]" 1
334 1 30 SER HB2 1 31 TYR H 3.200 . 4.400 3.944 3.540 4.381 . 0 0 "[ . 1 . 2]" 1
335 1 30 SER HB2 1 31 TYR HA 6.000 . 6.000 4.498 4.320 4.761 . 0 0 "[ . 1 . 2]" 1
336 1 30 SER HB3 1 31 TYR H 3.700 . 5.400 3.579 3.154 4.017 . 0 0 "[ . 1 . 2]" 1
337 1 31 TYR H 1 31 TYR HB2 2.600 . 3.400 2.635 2.469 2.865 . 0 0 "[ . 1 . 2]" 1
338 1 31 TYR H 1 31 TYR HB3 3.700 . 5.400 3.762 3.648 3.833 . 0 0 "[ . 1 . 2]" 1
339 1 31 TYR H 1 48 TRP HH2 4.600 . 6.000 4.221 3.454 4.793 . 0 0 "[ . 1 . 2]" 1
340 1 31 TYR H 1 48 TRP HZ3 4.500 . 6.000 3.713 3.175 4.174 . 0 0 "[ . 1 . 2]" 1
341 1 31 TYR HA 1 31 TYR HB3 2.600 . 3.500 2.496 2.355 2.621 . 0 0 "[ . 1 . 2]" 1
342 1 31 TYR HA 1 32 HIS H 2.400 . 3.100 2.845 2.641 3.006 . 0 0 "[ . 1 . 2]" 1
343 1 31 TYR HA 1 35 CYS HB3 5.600 . 6.000 4.363 3.863 5.020 . 0 0 "[ . 1 . 2]" 1
344 1 31 TYR HA 1 48 TRP HH2 6.000 . 6.000 5.555 4.804 5.989 . 0 0 "[ . 1 . 2]" 1
345 1 31 TYR HB2 1 32 HIS H 4.000 . 6.000 2.744 2.217 3.225 . 0 0 "[ . 1 . 2]" 1
346 1 31 TYR HB2 1 48 TRP HH2 2.600 . 3.400 2.690 1.908 3.303 . 0 0 "[ . 1 . 2]" 1
347 1 31 TYR HB2 1 48 TRP HZ3 3.000 . 4.100 3.813 2.885 4.151 0.051 9 0 "[ . 1 . 2]" 1
348 1 31 TYR HB3 1 32 HIS H 2.400 . 3.100 1.716 1.589 1.941 0.111 1 0 "[ . 1 . 2]" 1
349 1 31 TYR HB3 1 36 LEU H 4.100 . 6.000 3.769 3.050 4.116 . 0 0 "[ . 1 . 2]" 1
350 1 31 TYR HB3 1 48 TRP HZ3 5.500 . 6.000 5.518 4.591 5.894 . 0 0 "[ . 1 . 2]" 1
351 1 32 HIS H 1 32 HIS HB2 2.200 . 2.800 2.694 2.609 2.768 . 0 0 "[ . 1 . 2]" 1
352 1 32 HIS H 1 32 HIS HB3 3.600 . 5.300 3.722 3.666 3.759 . 0 0 "[ . 1 . 2]" 1
353 1 32 HIS H 1 33 ILE H 6.000 . 6.000 4.114 3.602 4.380 . 0 0 "[ . 1 . 2]" 1
354 1 32 HIS H 1 35 CYS H 3.700 . 5.500 3.245 2.872 3.710 . 0 0 "[ . 1 . 2]" 1
355 1 32 HIS H 1 35 CYS HB3 4.000 . 6.000 3.924 3.580 4.330 . 0 0 "[ . 1 . 2]" 1
356 1 32 HIS H 1 36 LEU H 5.900 . 6.000 4.719 4.055 5.260 . 0 0 "[ . 1 . 2]" 1
357 1 32 HIS HB2 1 32 HIS HD2 4.000 . 6.000 3.935 3.886 3.959 . 0 0 "[ . 1 . 2]" 1
358 1 32 HIS HB2 1 32 HIS HE1 3.700 . 5.400 4.684 4.664 4.714 . 0 0 "[ . 1 . 2]" 1
359 1 32 HIS HB2 1 34 HIS H 6.000 . 6.000 3.000 2.624 3.361 . 0 0 "[ . 1 . 2]" 1
360 1 32 HIS HB2 1 34 HIS HD2 4.500 . 6.000 2.765 2.244 3.369 . 0 0 "[ . 1 . 2]" 1
361 1 32 HIS HB3 1 32 HIS HD2 3.300 . 4.600 2.970 2.791 3.098 . 0 0 "[ . 1 . 2]" 1
362 1 32 HIS HB3 1 33 ILE H 6.000 . 6.000 1.785 1.482 2.256 0.018 5 0 "[ . 1 . 2]" 1
363 1 32 HIS HB3 1 34 HIS H 2.700 . 3.600 2.620 2.122 3.397 . 0 0 "[ . 1 . 2]" 1
364 1 32 HIS HB3 1 34 HIS HD2 3.800 . 5.600 2.927 2.216 3.755 . 0 0 "[ . 1 . 2]" 1
365 1 32 HIS HB3 1 35 CYS H 3.300 . 4.700 3.697 2.962 4.558 . 0 0 "[ . 1 . 2]" 1
366 1 32 HIS HD2 1 33 ILE HG12 6.000 . 6.000 4.305 3.787 4.866 . 0 0 "[ . 1 . 2]" 1
367 1 33 ILE H 1 33 ILE HA 2.600 . 3.400 2.912 2.872 2.950 . 0 0 "[ . 1 . 2]" 1
368 1 33 ILE H 1 33 ILE HB 3.500 . 5.000 3.680 3.577 3.858 . 0 0 "[ . 1 . 2]" 1
369 1 33 ILE H 1 33 ILE HG12 2.300 . 3.000 2.154 1.807 2.462 . 0 0 "[ . 1 . 2]" 1
370 1 33 ILE H 1 34 HIS H 2.200 . 2.800 2.269 1.944 2.534 . 0 0 "[ . 1 . 2]" 1
371 1 33 ILE H 1 35 CYS H 5.400 . 6.000 3.766 3.423 4.042 . 0 0 "[ . 1 . 2]" 1
372 1 33 ILE H 1 36 LEU HG 4.900 . 6.000 5.373 4.947 5.769 . 0 0 "[ . 1 . 2]" 1
373 1 33 ILE HA 1 34 HIS H 6.000 . 6.000 3.320 3.061 3.431 . 0 0 "[ . 1 . 2]" 1
374 1 33 ILE HA 1 35 CYS H 4.300 . 6.000 4.082 3.921 4.279 . 0 0 "[ . 1 . 2]" 1
375 1 33 ILE HA 1 40 LEU H 3.700 . 5.400 3.568 3.105 4.175 . 0 0 "[ . 1 . 2]" 1
376 1 33 ILE HB 1 34 HIS H 4.000 . 6.000 4.125 3.903 4.408 . 0 0 "[ . 1 . 2]" 1
377 1 33 ILE HG12 1 34 HIS H 3.200 . 4.500 3.704 3.277 4.122 . 0 0 "[ . 1 . 2]" 1
378 1 33 ILE HG12 1 34 HIS HB3 5.200 . 6.000 4.987 4.175 5.595 . 0 0 "[ . 1 . 2]" 1
379 1 33 ILE HG12 1 34 HIS HD2 6.000 . 6.000 4.933 3.912 5.314 . 0 0 "[ . 1 . 2]" 1
380 1 34 HIS H 1 34 HIS HB3 3.400 . 4.800 3.360 2.977 3.715 . 0 0 "[ . 1 . 2]" 1
381 1 34 HIS H 1 35 CYS H 2.200 . 2.800 2.011 1.712 2.393 . 0 0 "[ . 1 . 2]" 1
382 1 34 HIS H 1 35 CYS HA 6.000 . 6.000 4.501 4.292 4.675 . 0 0 "[ . 1 . 2]" 1
383 1 34 HIS HB2 1 34 HIS HD2 3.300 . 4.700 3.401 3.017 3.967 . 0 0 "[ . 1 . 2]" 1
384 1 34 HIS HB2 1 35 CYS H 5.200 . 6.000 4.264 3.904 4.521 . 0 0 "[ . 1 . 2]" 1
385 1 34 HIS HB3 1 34 HIS HD2 3.200 . 4.500 3.776 3.075 3.971 . 0 0 "[ . 1 . 2]" 1
386 1 34 HIS HD2 1 35 CYS HA 4.200 . 6.000 4.026 3.544 4.445 . 0 0 "[ . 1 . 2]" 1
387 1 35 CYS H 1 35 CYS HA 2.700 . 3.600 2.917 2.842 2.942 . 0 0 "[ . 1 . 2]" 1
388 1 35 CYS H 1 35 CYS HB3 3.100 . 4.300 3.653 3.429 3.811 . 0 0 "[ . 1 . 2]" 1
389 1 35 CYS H 1 36 LEU H 2.100 . 2.600 2.487 2.140 2.651 0.051 3 0 "[ . 1 . 2]" 1
390 1 35 CYS H 1 36 LEU QB 4.700 . 6.000 4.747 4.516 4.991 . 0 0 "[ . 1 . 2]" 1
391 1 35 CYS H 1 36 LEU HG 3.200 . 4.500 2.854 2.566 3.380 . 0 0 "[ . 1 . 2]" 1
392 1 35 CYS HA 1 35 CYS HB2 3.000 . 4.100 3.008 2.965 3.030 . 0 0 "[ . 1 . 2]" 1
393 1 35 CYS HA 1 35 CYS HB3 2.700 . 3.600 2.382 2.292 2.550 . 0 0 "[ . 1 . 2]" 1
394 1 35 CYS HA 1 36 LEU H 4.400 . 6.000 3.052 2.770 3.428 . 0 0 "[ . 1 . 2]" 1
395 1 35 CYS HA 1 36 LEU QB 6.000 . 6.000 5.403 5.160 5.618 . 0 0 "[ . 1 . 2]" 1
396 1 35 CYS HA 1 36 LEU HG 6.000 . 6.000 4.545 4.189 5.024 . 0 0 "[ . 1 . 2]" 1
397 1 35 CYS HB3 1 36 LEU H 4.200 . 6.000 4.423 4.133 4.553 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU H 1 36 LEU HA 2.700 . 3.600 2.927 2.882 2.946 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU H 1 36 LEU QB 2.900 . 4.000 3.064 2.906 3.328 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU H 1 36 LEU HG 1.800 . 2.200 2.012 1.452 2.273 0.073 14 0 "[ . 1 . 2]" 1
401 1 36 LEU H 1 37 ASN H 4.400 . 6.000 4.234 2.428 4.485 . 0 0 "[ . 1 . 2]" 1
402 1 36 LEU H 1 40 LEU H 4.800 . 6.000 5.676 5.319 6.047 0.047 16 0 "[ . 1 . 2]" 1
403 1 36 LEU HA 1 37 ASN HB2 4.500 . 6.000 4.769 4.509 5.146 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU QB 1 37 ASN H 2.100 . 2.700 2.020 1.834 2.458 . 0 0 "[ . 1 . 2]" 1
405 1 36 LEU QB 1 37 ASN HB2 6.000 . 6.000 4.206 2.943 4.584 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU HG 1 37 ASN H 6.000 . 6.000 4.382 2.607 4.706 . 0 0 "[ . 1 . 2]" 1
407 1 37 ASN H 1 37 ASN HA 2.900 . 3.900 2.883 2.860 2.942 . 0 0 "[ . 1 . 2]" 1
408 1 37 ASN H 1 37 ASN HB2 2.800 . 3.800 2.580 2.156 2.908 . 0 0 "[ . 1 . 2]" 1
409 1 37 ASN H 1 37 ASN HB3 2.400 . 3.100 2.735 2.361 3.639 0.539 9 1 "[ . +1 . 2]" 1
410 1 37 ASN H 1 37 ASN HD22 3.900 . 5.800 5.689 4.356 5.930 0.130 15 0 "[ . 1 . 2]" 1
411 1 37 ASN H 1 38 PRO HA 4.900 . 6.000 5.309 5.239 5.435 . 0 0 "[ . 1 . 2]" 1
412 1 37 ASN HA 1 37 ASN HB2 3.000 . 4.100 2.568 2.367 3.019 . 0 0 "[ . 1 . 2]" 1
413 1 37 ASN HA 1 37 ASN HB3 2.700 . 3.600 2.966 2.508 3.027 . 0 0 "[ . 1 . 2]" 1
414 1 37 ASN HA 1 37 ASN HD21 5.000 . 6.000 3.410 1.855 4.471 0.045 5 0 "[ . 1 . 2]" 1
415 1 37 ASN HA 1 38 PRO HB3 6.000 . 6.000 5.916 5.580 6.492 0.492 18 0 "[ . 1 . 2]" 1
416 1 37 ASN HA 1 38 PRO HD2 3.400 . 4.800 4.082 2.685 4.439 . 0 0 "[ . 1 . 2]" 1
417 1 37 ASN HA 1 38 PRO HD3 3.800 . 5.600 3.870 3.090 4.005 . 0 0 "[ . 1 . 2]" 1
418 1 37 ASN HA 1 38 PRO HG2 6.000 . 6.000 5.990 4.780 6.125 0.125 10 0 "[ . 1 . 2]" 1
419 1 37 ASN HA 1 38 PRO HG3 6.000 . 6.000 5.881 5.073 6.046 0.046 5 0 "[ . 1 . 2]" 1
420 1 37 ASN HB2 1 38 PRO HA 4.400 . 6.000 5.698 4.683 5.984 . 0 0 "[ . 1 . 2]" 1
421 1 37 ASN HB3 1 38 PRO HA 6.000 . 6.000 4.496 4.215 4.783 . 0 0 "[ . 1 . 2]" 1
422 1 38 PRO HA 1 38 PRO HB2 2.300 . 3.000 2.711 2.665 2.945 . 0 0 "[ . 1 . 2]" 1
423 1 38 PRO HA 1 38 PRO HB3 2.900 . 4.000 2.306 2.262 2.320 . 0 0 "[ . 1 . 2]" 1
424 1 38 PRO HB2 1 38 PRO HD2 3.900 . 5.800 3.789 2.846 4.029 . 0 0 "[ . 1 . 2]" 1
425 1 38 PRO HB2 1 38 PRO HD3 3.200 . 4.500 4.031 3.842 4.089 . 0 0 "[ . 1 . 2]" 1
426 1 39 PRO HA 1 40 LEU H 2.200 . 2.800 2.172 2.127 2.363 . 0 0 "[ . 1 . 2]" 1
427 1 39 PRO HB2 1 40 LEU H 4.100 . 6.000 3.833 3.353 4.235 . 0 0 "[ . 1 . 2]" 1
428 1 39 PRO HB3 1 40 LEU H 4.200 . 6.000 4.012 3.522 4.504 . 0 0 "[ . 1 . 2]" 1
429 1 39 PRO HD2 1 40 LEU H 5.900 . 6.000 5.277 4.569 5.624 . 0 0 "[ . 1 . 2]" 1
430 1 39 PRO HD3 1 40 LEU H 6.000 . 6.000 5.537 5.251 5.747 . 0 0 "[ . 1 . 2]" 1
431 1 39 PRO QG 1 40 LEU H 6.000 . 6.000 4.784 4.587 4.994 . 0 0 "[ . 1 . 2]" 1
432 1 40 LEU H 1 40 LEU HB2 3.100 . 4.300 2.924 2.511 3.560 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU H 1 40 LEU HB3 3.000 . 4.100 3.600 3.278 3.717 . 0 0 "[ . 1 . 2]" 1
434 1 40 LEU H 1 40 LEU HG 2.200 . 2.800 2.083 1.560 3.411 0.611 5 1 "[ + 1 . 2]" 1
435 1 40 LEU H 1 42 GLU H 4.200 . 6.000 5.569 5.345 5.866 . 0 0 "[ . 1 . 2]" 1
436 1 40 LEU HB3 1 41 PRO HD3 5.100 . 6.000 3.828 3.325 4.326 . 0 0 "[ . 1 . 2]" 1
437 1 40 LEU HB3 1 42 GLU H 3.300 . 4.700 3.509 2.964 4.526 . 0 0 "[ . 1 . 2]" 1
438 1 40 LEU HB3 1 48 TRP HE1 6.000 . 6.000 5.602 4.807 6.225 0.225 16 0 "[ . 1 . 2]" 1
439 1 40 LEU HG 1 41 PRO HD3 6.000 . 6.000 5.270 4.588 5.880 . 0 0 "[ . 1 . 2]" 1
440 1 40 LEU HG 1 42 GLU H 6.000 . 6.000 5.790 5.257 6.043 0.043 19 0 "[ . 1 . 2]" 1
441 1 40 LEU HG 1 48 TRP HE1 5.500 . 6.000 4.920 3.575 5.668 . 0 0 "[ . 1 . 2]" 1
442 1 41 PRO HB2 1 42 GLU H 4.700 . 6.000 3.287 2.769 3.672 . 0 0 "[ . 1 . 2]" 1
443 1 41 PRO HD2 1 42 GLU H 2.600 . 3.500 2.507 2.225 2.853 . 0 0 "[ . 1 . 2]" 1
444 1 41 PRO HD3 1 41 PRO HG3 2.900 . 4.000 2.307 2.280 2.328 . 0 0 "[ . 1 . 2]" 1
445 1 41 PRO HD3 1 42 GLU H 4.100 . 6.000 3.775 3.608 3.960 . 0 0 "[ . 1 . 2]" 1
446 1 41 PRO HG2 1 42 GLU H 3.800 . 5.600 3.171 2.433 4.107 . 0 0 "[ . 1 . 2]" 1
447 1 41 PRO HG3 1 42 GLU H 6.000 . 6.000 4.230 3.913 4.568 . 0 0 "[ . 1 . 2]" 1
448 1 42 GLU H 1 42 GLU HA 2.500 . 3.300 2.936 2.901 2.949 . 0 0 "[ . 1 . 2]" 1
449 1 42 GLU H 1 42 GLU HG2 3.900 . 5.800 3.603 1.978 4.828 0.022 20 0 "[ . 1 . 2]" 1
450 1 42 GLU H 1 42 GLU HG3 4.900 . 6.000 3.527 2.058 5.003 . 0 0 "[ . 1 . 2]" 1
451 1 42 GLU H 1 43 ILE H 4.500 . 6.000 4.450 4.344 4.540 . 0 0 "[ . 1 . 2]" 1
452 1 42 GLU HA 1 43 ILE H 2.200 . 2.800 2.309 2.183 2.469 . 0 0 "[ . 1 . 2]" 1
453 1 42 GLU QB 1 43 ILE H 4.400 . 6.000 2.807 2.405 3.276 . 0 0 "[ . 1 . 2]" 1
454 1 42 GLU HG2 1 43 ILE H 6.000 . 6.000 4.413 2.415 5.388 . 0 0 "[ . 1 . 2]" 1
455 1 42 GLU HG3 1 43 ILE H 4.100 . 6.000 4.627 3.325 5.276 . 0 0 "[ . 1 . 2]" 1
456 1 43 ILE H 1 43 ILE HB 4.200 . 6.000 3.632 3.517 3.735 . 0 0 "[ . 1 . 2]" 1
457 1 43 ILE H 1 43 ILE HG12 2.700 . 3.600 2.610 2.185 3.016 . 0 0 "[ . 1 . 2]" 1
458 1 43 ILE HA 1 44 PRO HD2 2.300 . 3.000 2.567 2.034 2.694 . 0 0 "[ . 1 . 2]" 1
459 1 43 ILE HA 1 44 PRO HD3 2.300 . 2.900 1.867 1.724 2.500 . 0 0 "[ . 1 . 2]" 1
460 1 43 ILE HG12 1 44 PRO HD3 6.000 . 6.000 5.690 5.507 5.822 . 0 0 "[ . 1 . 2]" 1
461 1 44 PRO HA 1 45 ASN QB 5.500 . 6.000 4.206 4.034 4.415 . 0 0 "[ . 1 . 2]" 1
462 1 44 PRO HB2 1 45 ASN H 6.000 . 6.000 4.067 2.854 4.319 . 0 0 "[ . 1 . 2]" 1
463 1 44 PRO HB2 1 46 GLY H 3.700 . 5.400 4.851 3.333 5.472 0.072 15 0 "[ . 1 . 2]" 1
464 1 44 PRO HB3 1 45 ASN H 6.000 . 6.000 3.995 2.657 4.590 . 0 0 "[ . 1 . 2]" 1
465 1 44 PRO HB3 1 48 TRP HD1 4.100 . 6.000 3.531 3.041 4.325 . 0 0 "[ . 1 . 2]" 1
466 1 44 PRO HD2 1 48 TRP HD1 6.000 . 6.000 4.453 3.701 5.210 . 0 0 "[ . 1 . 2]" 1
467 1 44 PRO HD3 1 48 TRP HD1 5.500 . 6.000 4.791 4.245 5.342 . 0 0 "[ . 1 . 2]" 1
468 1 44 PRO QG 1 48 TRP HB2 3.600 . 5.200 2.809 2.189 3.477 . 0 0 "[ . 1 . 2]" 1
469 1 44 PRO HG3 1 45 ASN H 6.000 . 6.000 5.246 4.700 5.722 . 0 0 "[ . 1 . 2]" 1
470 1 44 PRO HG3 1 48 TRP HD1 2.800 . 3.800 3.257 2.799 3.669 . 0 0 "[ . 1 . 2]" 1
471 1 44 PRO HG3 1 48 TRP HE1 4.300 . 6.000 4.573 4.081 5.222 . 0 0 "[ . 1 . 2]" 1
472 1 45 ASN H 1 45 ASN QB 2.800 . 3.800 2.253 2.052 2.512 . 0 0 "[ . 1 . 2]" 1
473 1 45 ASN H 1 46 GLY H 3.700 . 5.400 4.138 2.292 4.540 . 0 0 "[ . 1 . 2]" 1
474 1 45 ASN HA 1 46 GLY H 6.000 . 6.000 2.317 2.089 3.529 . 0 0 "[ . 1 . 2]" 1
475 1 45 ASN QB 1 46 GLY H 3.400 . 4.900 3.631 2.588 4.029 . 0 0 "[ . 1 . 2]" 1
476 1 46 GLY H 1 47 GLU H 4.900 . 6.000 4.167 3.468 4.519 . 0 0 "[ . 1 . 2]" 1
477 1 46 GLY HA2 1 47 GLU H 3.100 . 4.300 3.202 2.953 3.554 . 0 0 "[ . 1 . 2]" 1
478 1 46 GLY HA3 1 47 GLU H 4.200 . 6.000 2.194 2.097 2.537 . 0 0 "[ . 1 . 2]" 1
479 1 47 GLU H 1 47 GLU HA 2.800 . 3.800 2.905 2.806 2.949 . 0 0 "[ . 1 . 2]" 1
480 1 47 GLU H 1 47 GLU HB2 2.500 . 3.300 2.878 2.188 3.830 0.530 9 2 "[ . +- . 2]" 1
481 1 47 GLU H 1 47 GLU QG 3.500 . 5.100 3.232 1.873 3.990 0.027 4 0 "[ . 1 . 2]" 1
482 1 47 GLU H 1 48 TRP H 4.200 . 6.000 4.212 3.448 4.588 . 0 0 "[ . 1 . 2]" 1
483 1 47 GLU HA 1 48 TRP H 2.000 . 2.500 2.220 2.117 2.540 0.040 7 0 "[ . 1 . 2]" 1
484 1 47 GLU HA 1 48 TRP HB2 5.800 . 6.000 4.929 4.590 5.354 . 0 0 "[ . 1 . 2]" 1
485 1 47 GLU HA 1 48 TRP HB3 5.300 . 6.000 4.423 4.149 4.915 . 0 0 "[ . 1 . 2]" 1
486 1 47 GLU HB2 1 48 TRP H 4.200 . 6.000 4.088 2.774 4.587 . 0 0 "[ . 1 . 2]" 1
487 1 47 GLU HB3 1 48 TRP H 3.700 . 5.400 4.085 3.348 4.555 . 0 0 "[ . 1 . 2]" 1
488 1 47 GLU HB3 1 48 TRP HA 4.200 . 6.000 4.957 4.188 5.808 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLU QG 1 48 TRP H 4.100 . 6.000 3.799 2.500 4.787 . 0 0 "[ . 1 . 2]" 1
490 1 47 GLU QG 1 48 TRP HA 4.200 . 6.000 4.685 3.258 5.883 . 0 0 "[ . 1 . 2]" 1
491 1 48 TRP H 1 48 TRP HA 2.900 . 4.000 2.928 2.884 2.946 . 0 0 "[ . 1 . 2]" 1
492 1 48 TRP H 1 48 TRP HB2 3.500 . 5.000 3.344 3.133 3.604 . 0 0 "[ . 1 . 2]" 1
493 1 48 TRP H 1 48 TRP HE3 4.500 . 6.000 3.796 3.730 3.892 . 0 0 "[ . 1 . 2]" 1
494 1 48 TRP H 1 48 TRP HZ3 5.200 . 6.000 6.132 6.044 6.228 0.228 10 0 "[ . 1 . 2]" 1
495 1 48 TRP H 1 49 LEU H 6.000 . 6.000 4.272 2.203 4.516 . 0 0 "[ . 1 . 2]" 1
496 1 48 TRP HA 1 48 TRP HB2 2.300 . 3.000 2.350 2.285 2.388 . 0 0 "[ . 1 . 2]" 1
497 1 48 TRP HA 1 48 TRP HD1 2.900 . 3.900 3.384 3.183 3.473 . 0 0 "[ . 1 . 2]" 1
498 1 48 TRP HA 1 48 TRP HE1 5.300 . 6.000 5.384 5.249 5.480 . 0 0 "[ . 1 . 2]" 1
499 1 48 TRP HA 1 49 LEU H 2.100 . 2.700 2.334 2.157 3.459 0.759 13 1 "[ . 1 + . 2]" 1
500 1 48 TRP HA 1 49 LEU HB2 6.000 . 6.000 4.790 4.268 5.294 . 0 0 "[ . 1 . 2]" 1
501 1 48 TRP HA 1 49 LEU HG 4.300 . 6.000 3.752 2.946 5.473 . 0 0 "[ . 1 . 2]" 1
502 1 48 TRP HB3 1 49 LEU H 6.000 . 6.000 4.053 2.715 4.376 . 0 0 "[ . 1 . 2]" 1
503 1 48 TRP HD1 1 49 LEU H 3.500 . 5.100 3.583 3.099 5.069 . 0 0 "[ . 1 . 2]" 1
504 1 48 TRP HE1 1 49 LEU H 5.200 . 6.000 4.535 3.936 6.049 0.049 13 0 "[ . 1 . 2]" 1
505 1 48 TRP HE1 1 50 CYS HA 5.000 . 6.000 4.615 4.235 5.315 . 0 0 "[ . 1 . 2]" 1
506 1 48 TRP HH2 1 48 TRP HZ3 2.400 . 3.100 2.443 2.433 2.451 . 0 0 "[ . 1 . 2]" 1
507 1 48 TRP HH2 1 50 CYS HA 2.900 . 4.000 2.814 2.490 3.222 . 0 0 "[ . 1 . 2]" 1
508 1 48 TRP HH2 1 51 PRO HG3 5.000 . 6.000 4.963 3.945 5.833 . 0 0 "[ . 1 . 2]" 1
509 1 48 TRP HZ2 1 50 CYS H 5.400 . 6.000 5.255 4.848 5.788 . 0 0 "[ . 1 . 2]" 1
510 1 48 TRP HZ2 1 51 PRO HA 4.000 . 6.000 4.826 4.180 5.314 . 0 0 "[ . 1 . 2]" 1
511 1 48 TRP HZ2 1 52 ARG H 6.000 . 6.000 6.001 5.770 6.166 0.166 11 0 "[ . 1 . 2]" 1
512 1 48 TRP HZ3 1 50 CYS HA 3.700 . 5.400 4.036 3.304 4.637 . 0 0 "[ . 1 . 2]" 1
513 1 49 LEU H 1 49 LEU HB2 3.200 . 4.500 2.856 2.239 3.666 . 0 0 "[ . 1 . 2]" 1
514 1 49 LEU H 1 49 LEU HG 2.900 . 3.900 2.810 1.910 4.023 0.123 12 0 "[ . 1 . 2]" 1
515 1 49 LEU H 1 50 CYS H 6.000 . 6.000 4.434 3.965 4.542 . 0 0 "[ . 1 . 2]" 1
516 1 49 LEU HA 1 50 CYS H 6.000 . 6.000 2.280 2.131 2.380 . 0 0 "[ . 1 . 2]" 1
517 1 49 LEU HB2 1 50 CYS H 3.200 . 4.500 3.672 3.033 4.253 . 0 0 "[ . 1 . 2]" 1
518 1 49 LEU HB2 1 53 CYS HA 4.000 . 6.000 5.329 4.347 6.101 0.101 8 0 "[ . 1 . 2]" 1
519 1 49 LEU HB2 1 53 CYS QB 3.600 . 5.200 2.993 2.144 3.715 . 0 0 "[ . 1 . 2]" 1
520 1 49 LEU HB2 1 54 THR H 4.900 . 6.000 4.015 2.825 5.647 . 0 0 "[ . 1 . 2]" 1
521 1 49 LEU HB3 1 50 CYS H 4.000 . 6.000 2.969 2.579 3.257 . 0 0 "[ . 1 . 2]" 1
522 1 49 LEU HB3 1 53 CYS HA 4.300 . 6.000 4.837 4.190 5.985 . 0 0 "[ . 1 . 2]" 1
523 1 49 LEU HB3 1 53 CYS QB 4.500 . 5.800 2.194 1.573 3.512 0.427 20 0 "[ . 1 . 2]" 1
524 1 49 LEU HB3 1 54 THR H 4.600 . 6.000 4.466 3.096 5.936 . 0 0 "[ . 1 . 2]" 1
525 1 49 LEU HG 1 50 CYS H 5.100 . 6.000 4.797 3.733 5.224 . 0 0 "[ . 1 . 2]" 1
526 1 50 CYS H 1 50 CYS HA 2.900 . 3.900 2.748 2.681 2.817 . 0 0 "[ . 1 . 2]" 1
527 1 50 CYS H 1 50 CYS HB2 3.300 . 4.600 3.166 2.632 3.556 . 0 0 "[ . 1 . 2]" 1
528 1 50 CYS H 1 53 CYS H 4.800 . 6.000 4.067 3.648 4.358 . 0 0 "[ . 1 . 2]" 1
529 1 50 CYS H 1 53 CYS HA 5.500 . 6.000 5.779 5.031 6.199 0.199 8 0 "[ . 1 . 2]" 1
530 1 50 CYS H 1 53 CYS QB 3.400 . 4.900 3.089 2.010 4.450 . 0 0 "[ . 1 . 2]" 1
531 1 50 CYS HA 1 51 PRO HA 5.200 . 6.000 4.405 4.311 4.478 . 0 0 "[ . 1 . 2]" 1
532 1 50 CYS HA 1 52 ARG H 5.000 . 6.000 4.038 3.716 4.423 . 0 0 "[ . 1 . 2]" 1
533 1 50 CYS HB2 1 53 CYS QB 4.400 . 6.000 4.113 2.051 6.367 0.367 8 0 "[ . 1 . 2]" 1
534 1 51 PRO HB2 1 51 PRO HD3 3.200 . 4.500 3.885 3.851 3.912 . 0 0 "[ . 1 . 2]" 1
535 1 52 ARG H 1 52 ARG HD2 3.700 . 5.400 4.049 2.156 5.329 . 0 0 "[ . 1 . 2]" 1
536 1 52 ARG H 1 52 ARG HD3 3.600 . 5.200 4.256 2.274 5.432 0.232 11 0 "[ . 1 . 2]" 1
537 1 52 ARG H 1 53 CYS H 2.200 . 2.800 1.958 1.642 2.364 . 0 0 "[ . 1 . 2]" 1
538 1 52 ARG H 1 54 THR H 4.500 . 6.000 3.180 2.446 3.939 . 0 0 "[ . 1 . 2]" 1
539 1 52 ARG HA 1 52 ARG HD2 4.100 . 6.000 4.463 2.538 5.417 . 0 0 "[ . 1 . 2]" 1
540 1 52 ARG HA 1 52 ARG HD3 4.100 . 6.000 4.736 3.719 5.303 . 0 0 "[ . 1 . 2]" 1
541 1 52 ARG HA 1 53 CYS H 6.000 . 6.000 3.471 3.252 3.563 . 0 0 "[ . 1 . 2]" 1
542 1 52 ARG HA 1 54 THR H 3.400 . 4.800 3.800 3.204 4.766 . 0 0 "[ . 1 . 2]" 1
543 1 52 ARG HD2 1 53 CYS H 4.000 . 6.000 4.609 3.183 6.021 0.021 8 0 "[ . 1 . 2]" 1
544 1 52 ARG HD3 1 52 ARG HG3 3.000 . 4.100 2.715 2.322 3.014 . 0 0 "[ . 1 . 2]" 1
545 1 52 ARG HD3 1 53 CYS H 4.600 . 6.000 4.819 3.080 6.123 0.123 11 0 "[ . 1 . 2]" 1
546 1 52 ARG HG2 1 53 CYS H 4.300 . 6.000 3.894 2.197 5.267 . 0 0 "[ . 1 . 2]" 1
547 1 52 ARG HG3 1 53 CYS H 3.300 . 4.600 3.932 2.582 5.035 0.435 19 0 "[ . 1 . 2]" 1
548 1 52 ARG HG3 1 54 THR H 5.200 . 6.000 5.563 4.541 6.603 0.603 19 1 "[ . 1 . +2]" 1
549 1 53 CYS H 1 53 CYS HA 2.700 . 3.600 2.872 2.802 2.934 . 0 0 "[ . 1 . 2]" 1
550 1 53 CYS H 1 53 CYS QB 2.800 . 3.500 2.502 2.111 2.908 . 0 0 "[ . 1 . 2]" 1
551 1 53 CYS H 1 54 THR H 2.400 . 3.100 2.417 2.137 2.630 . 0 0 "[ . 1 . 2]" 1
552 1 53 CYS QB 1 54 THR H 3.400 . 4.800 3.175 2.560 3.685 . 0 0 "[ . 1 . 2]" 1
553 1 54 THR HA 1 55 CYS H 6.000 . 6.000 3.012 2.143 3.567 . 0 0 "[ . 1 . 2]" 1
554 1 54 THR HA 1 55 CYS QB 4.900 . 6.000 4.875 4.228 5.590 . 0 0 "[ . 1 . 2]" 1
555 1 55 CYS H 1 55 CYS QB 2.800 . 3.800 2.961 2.042 3.457 . 0 0 "[ . 1 . 2]" 1
556 1 55 CYS H 1 56 PRO QD 4.000 . 6.000 3.522 1.975 4.403 0.025 8 0 "[ . 1 . 2]" 1
557 1 55 CYS HA 1 56 PRO QD 6.000 . 6.000 2.140 1.826 3.603 . 0 0 "[ . 1 . 2]" 1
558 1 55 CYS QB 1 56 PRO QD 3.500 . 5.000 3.024 2.066 3.846 . 0 0 "[ . 1 . 2]" 1
559 1 55 CYS QB 1 58 LEU H 5.100 . 6.000 4.354 3.025 6.029 0.029 11 0 "[ . 1 . 2]" 1
560 1 56 PRO HA 1 57 ALA H 2.700 . 3.600 3.086 2.122 3.564 . 0 0 "[ . 1 . 2]" 1
561 1 56 PRO HB2 1 57 ALA H 4.300 . 6.000 3.207 1.734 4.244 0.266 12 0 "[ . 1 . 2]" 1
562 1 56 PRO HB3 1 57 ALA H 5.500 . 6.000 4.042 3.310 4.660 . 0 0 "[ . 1 . 2]" 1
563 1 56 PRO QD 1 57 ALA H 3.500 . 5.000 3.366 2.188 4.955 . 0 0 "[ . 1 . 2]" 1
564 1 56 PRO HG3 1 57 ALA H 3.600 . 5.300 4.727 3.740 5.786 0.486 13 0 "[ . 1 . 2]" 1
565 1 57 ALA H 1 58 LEU H 4.100 . 6.000 3.130 1.997 4.371 0.003 9 0 "[ . 1 . 2]" 1
566 1 57 ALA HA 1 58 LEU H 6.000 . 6.000 2.795 2.296 3.543 . 0 0 "[ . 1 . 2]" 1
567 1 58 LEU HA 1 59 LYS H 6.000 . 6.000 2.797 2.139 3.563 . 0 0 "[ . 1 . 2]" 1
568 1 60 GLY H 1 61 LYS H 5.300 . 6.000 3.179 1.790 4.578 0.010 3 0 "[ . 1 . 2]" 1
569 1 60 GLY QA 1 61 LYS H 3.200 . 4.500 2.486 2.102 2.884 . 0 0 "[ . 1 . 2]" 1
570 1 61 LYS H 1 61 LYS QD 6.000 . 6.000 4.414 3.046 5.103 . 0 0 "[ . 1 . 2]" 1
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