NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400619 |
1v4q   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v4q
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 465
_Distance_constraint_stats_list.Viol_count 229
_Distance_constraint_stats_list.Viol_total 449.525
_Distance_constraint_stats_list.Viol_max 0.864
_Distance_constraint_stats_list.Viol_rms 0.0338
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.1091
_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 CYS 0.123 0.076 10 0 "[ . 1 . ]"
1 2 LYS 9.112 0.745 9 2 "[ . +1 . -]"
1 3 GLY 3.099 0.228 15 0 "[ . 1 . ]"
1 4 LYS 0.498 0.456 9 0 "[ . 1 . ]"
1 5 GLY 0.020 0.019 15 0 "[ . 1 . ]"
1 6 ALA 1.514 0.578 18 1 "[ . 1 . +]"
1 7 PRO 1.816 0.704 7 1 "[ . + 1 . ]"
1 8 CYS 0.137 0.038 17 0 "[ . 1 . ]"
1 9 ARG 0.145 0.047 1 0 "[ . 1 . ]"
1 10 LYS 0.202 0.059 15 0 "[ . 1 . ]"
1 11 THR 1.672 0.084 6 0 "[ . 1 . ]"
1 12 MET 0.056 0.024 10 0 "[ . 1 . ]"
1 13 TYR 0.585 0.050 18 0 "[ . 1 . ]"
1 14 ASP 2.604 0.745 9 1 "[ . +1 . ]"
1 15 CYS 1.918 0.813 2 1 "[ + . 1 . ]"
1 16 CYS 0.235 0.157 8 0 "[ . 1 . ]"
1 17 LYS 0.204 0.038 2 0 "[ . 1 . ]"
1 18 GLY 5.837 0.813 2 4 "[*+ -* 1 . ]"
1 19 ARG 4.035 0.807 1 4 "[+* -* 1 . ]"
1 20 CYS 2.498 0.469 4 0 "[ . 1 . ]"
1 21 GLY 0.356 0.151 17 0 "[ . 1 . ]"
1 22 ARG 0.053 0.033 16 0 "[ . 1 . ]"
1 23 ARG 2.794 0.864 5 2 "[ + 1 *. ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ARG 4.559 0.864 5 3 "[ + - 1 *. ]"
1 26 CYS 0.943 0.456 9 0 "[ . 1 . ]"
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 CYS HA 1 1 CYS HB2 2.400 . 3.100 2.529 2.371 2.658 . 0 0 "[ . 1 . ]" 1
2 1 1 CYS HA 1 1 CYS HB3 2.100 . 2.700 2.397 2.292 2.556 . 0 0 "[ . 1 . ]" 1
3 1 1 CYS HA 1 2 LYS H 2.000 . 2.500 2.415 2.311 2.576 0.076 10 0 "[ . 1 . ]" 1
4 1 1 CYS HA 1 2 LYS QD 3.600 . 5.300 4.581 3.345 5.159 . 0 0 "[ . 1 . ]" 1
5 1 1 CYS HA 1 14 ASP HB2 5.200 . 6.000 5.491 5.062 5.996 . 0 0 "[ . 1 . ]" 1
6 1 1 CYS HA 1 16 CYS H 4.000 . 6.000 4.818 4.631 5.159 . 0 0 "[ . 1 . ]" 1
7 1 1 CYS HB2 1 2 LYS H 2.300 . 2.900 2.450 2.048 2.685 . 0 0 "[ . 1 . ]" 1
8 1 1 CYS HB2 1 2 LYS HA 5.000 . 6.000 4.688 4.444 4.907 . 0 0 "[ . 1 . ]" 1
9 1 1 CYS HB2 1 2 LYS QB 4.300 . 6.000 4.521 3.986 4.703 . 0 0 "[ . 1 . ]" 1
10 1 1 CYS HB2 1 16 CYS H 2.500 . 3.300 2.881 2.560 3.209 . 0 0 "[ . 1 . ]" 1
11 1 1 CYS HB2 1 16 CYS HA 2.400 . 3.100 2.651 2.279 3.028 . 0 0 "[ . 1 . ]" 1
12 1 1 CYS HB3 1 2 LYS H 3.700 . 5.400 3.673 3.231 3.928 . 0 0 "[ . 1 . ]" 1
13 1 1 CYS HB3 1 2 LYS QG 6.000 . 6.000 5.148 4.436 5.716 . 0 0 "[ . 1 . ]" 1
14 1 1 CYS HB3 1 16 CYS H 4.800 . 6.000 4.583 4.228 4.943 . 0 0 "[ . 1 . ]" 1
15 1 1 CYS HB3 1 16 CYS HA 3.300 . 4.700 3.513 3.004 4.144 . 0 0 "[ . 1 . ]" 1
16 1 2 LYS H 1 2 LYS HA 2.900 . 3.900 2.891 2.874 2.918 . 0 0 "[ . 1 . ]" 1
17 1 2 LYS H 1 2 LYS QB 2.500 . 3.300 2.617 2.380 2.682 . 0 0 "[ . 1 . ]" 1
18 1 2 LYS H 1 2 LYS QD 3.200 . 4.500 3.541 2.251 3.999 . 0 0 "[ . 1 . ]" 1
19 1 2 LYS H 1 2 LYS QE 3.100 . 4.300 4.153 3.931 4.314 0.014 9 0 "[ . 1 . ]" 1
20 1 2 LYS H 1 2 LYS QG . . 3.300 2.042 1.792 2.968 0.208 10 0 "[ . 1 . ]" 1
21 1 2 LYS H 1 3 GLY H 4.400 . 6.000 4.401 4.318 4.515 . 0 0 "[ . 1 . ]" 1
22 1 2 LYS H 1 14 ASP H 5.700 . 6.000 5.661 5.407 5.859 . 0 0 "[ . 1 . ]" 1
23 1 2 LYS H 1 14 ASP HB2 5.500 . 6.000 5.008 4.680 5.308 . 0 0 "[ . 1 . ]" 1
24 1 2 LYS H 1 14 ASP HB3 4.300 . 6.000 3.347 2.981 3.663 . 0 0 "[ . 1 . ]" 1
25 1 2 LYS H 1 15 CYS H 4.500 . 6.000 4.431 4.011 4.682 . 0 0 "[ . 1 . ]" 1
26 1 2 LYS H 1 15 CYS HA 2.600 . 3.500 2.697 2.283 3.078 . 0 0 "[ . 1 . ]" 1
27 1 2 LYS H 1 15 CYS HB2 5.500 . 6.000 5.349 4.704 5.828 . 0 0 "[ . 1 . ]" 1
28 1 2 LYS H 1 15 CYS HB3 5.300 . 6.000 5.284 4.890 5.793 . 0 0 "[ . 1 . ]" 1
29 1 2 LYS H 1 16 CYS H 2.500 . 3.300 3.020 2.689 3.310 0.010 9 0 "[ . 1 . ]" 1
30 1 2 LYS H 1 16 CYS HA 4.600 . 6.000 4.478 4.126 4.910 . 0 0 "[ . 1 . ]" 1
31 1 2 LYS HA 1 2 LYS HB2 2.800 . 3.800 3.008 2.999 3.025 . 0 0 "[ . 1 . ]" 1
32 1 2 LYS HA 1 2 LYS QG 2.800 . 3.800 2.840 2.315 3.024 . 0 0 "[ . 1 . ]" 1
33 1 2 LYS HA 1 3 GLY H 2.200 . 2.800 2.772 2.589 2.835 0.035 2 0 "[ . 1 . ]" 1
34 1 2 LYS HB2 1 26 CYS HB2 3.800 . 5.600 3.825 2.952 4.508 . 0 0 "[ . 1 . ]" 1
35 1 2 LYS QB 1 2 LYS QE 4.500 . 6.000 3.574 3.404 3.715 . 0 0 "[ . 1 . ]" 1
36 1 2 LYS QB 1 8 CYS HB2 4.800 . 6.000 3.703 3.193 3.976 . 0 0 "[ . 1 . ]" 1
37 1 2 LYS QB 1 8 CYS HB3 3.600 . 5.200 2.706 2.397 3.036 . 0 0 "[ . 1 . ]" 1
38 1 2 LYS QB 1 15 CYS HB2 5.400 . 6.000 4.032 2.966 4.858 . 0 0 "[ . 1 . ]" 1
39 1 2 LYS QB 1 16 CYS H 3.400 . 4.900 3.260 2.977 3.466 . 0 0 "[ . 1 . ]" 1
40 1 2 LYS QB 1 26 CYS H 4.500 . 6.000 5.068 4.700 5.745 . 0 0 "[ . 1 . ]" 1
41 1 2 LYS HB2 1 3 GLY H 2.800 . 3.800 2.654 2.472 2.952 . 0 0 "[ . 1 . ]" 1
42 1 2 LYS HB2 1 3 GLY HA2 4.900 . 6.000 4.260 4.140 4.460 . 0 0 "[ . 1 . ]" 1
43 1 2 LYS HB2 1 6 ALA H 4.300 . 6.000 6.024 5.758 6.578 0.578 18 1 "[ . 1 . +]" 1
44 1 2 LYS HB2 1 8 CYS HB3 4.300 . 6.000 3.178 2.930 3.564 . 0 0 "[ . 1 . ]" 1
45 1 2 LYS HB2 1 15 CYS HA 2.700 . 3.600 1.936 1.785 2.167 0.015 8 0 "[ . 1 . ]" 1
46 1 2 LYS HB3 1 9 ARG H 4.700 . 6.000 5.280 4.872 5.937 . 0 0 "[ . 1 . ]" 1
47 1 2 LYS HB3 1 14 ASP HB2 4.300 . 6.000 6.024 5.693 6.745 0.745 9 1 "[ . +1 . ]" 1
48 1 2 LYS QD 1 2 LYS QG 2.100 . 2.600 2.086 2.065 2.091 . 0 0 "[ . 1 . ]" 1
49 1 2 LYS QD 1 3 GLY H 5.200 . 6.000 3.953 3.827 4.537 . 0 0 "[ . 1 . ]" 1
50 1 2 LYS QD 1 3 GLY HA2 5.200 . 6.000 6.150 5.901 6.228 0.228 15 0 "[ . 1 . ]" 1
51 1 2 LYS QD 1 8 CYS HA 3.400 . 4.800 2.328 1.994 3.753 0.006 2 0 "[ . 1 . ]" 1
52 1 2 LYS QD 1 8 CYS HB2 4.100 . 6.000 3.050 2.153 4.038 . 0 0 "[ . 1 . ]" 1
53 1 2 LYS QD 1 8 CYS HB3 3.800 . 5.600 2.802 2.118 3.356 . 0 0 "[ . 1 . ]" 1
54 1 2 LYS QD 1 14 ASP HB2 4.500 . 6.000 4.241 2.957 4.716 . 0 0 "[ . 1 . ]" 1
55 1 2 LYS QD 1 14 ASP HB3 4.200 . 6.000 3.197 1.962 3.712 0.038 9 0 "[ . 1 . ]" 1
56 1 2 LYS QE 1 8 CYS HB2 2.900 . 4.000 2.929 2.178 3.796 . 0 0 "[ . 1 . ]" 1
57 1 2 LYS QE 1 8 CYS HB3 4.800 . 6.000 3.719 2.743 4.498 . 0 0 "[ . 1 . ]" 1
58 1 2 LYS QE 1 9 ARG H 3.700 . 5.400 2.227 1.979 2.822 0.021 4 0 "[ . 1 . ]" 1
59 1 2 LYS QE 1 11 THR MG 5.800 . 6.000 6.046 6.021 6.084 0.084 6 0 "[ . 1 . ]" 1
60 1 2 LYS QE 1 14 ASP H 5.500 . 6.000 4.180 3.802 4.675 . 0 0 "[ . 1 . ]" 1
61 1 2 LYS QE 1 14 ASP HB2 4.600 . 6.000 2.636 2.384 2.976 . 0 0 "[ . 1 . ]" 1
62 1 2 LYS QG 1 3 GLY H 5.300 . 6.000 3.969 3.604 4.200 . 0 0 "[ . 1 . ]" 1
63 1 2 LYS QG 1 8 CYS HA 4.200 . 6.000 3.547 2.434 3.982 . 0 0 "[ . 1 . ]" 1
64 1 2 LYS QG 1 8 CYS HB2 5.000 . 6.000 2.906 2.127 4.340 . 0 0 "[ . 1 . ]" 1
65 1 2 LYS QG 1 8 CYS HB3 4.300 . 6.000 2.820 2.331 4.023 . 0 0 "[ . 1 . ]" 1
66 1 2 LYS QG 1 9 ARG H 3.500 . 5.000 3.751 3.224 4.495 . 0 0 "[ . 1 . ]" 1
67 1 2 LYS QG 1 9 ARG HE 4.600 . 6.000 4.791 4.293 5.324 . 0 0 "[ . 1 . ]" 1
68 1 2 LYS QG 1 14 ASP HB2 4.600 . 6.000 3.361 2.899 5.095 . 0 0 "[ . 1 . ]" 1
69 1 2 LYS QG 1 14 ASP HB3 3.200 . 4.500 2.108 1.778 3.962 0.122 3 0 "[ . 1 . ]" 1
70 1 2 LYS QG 1 16 CYS H 4.500 . 6.000 4.337 3.917 5.288 . 0 0 "[ . 1 . ]" 1
71 1 3 GLY H 1 3 GLY HA2 2.400 . 3.100 2.927 2.880 2.954 . 0 0 "[ . 1 . ]" 1
72 1 3 GLY H 1 3 GLY HA3 2.500 . 3.300 2.621 2.512 2.723 . 0 0 "[ . 1 . ]" 1
73 1 3 GLY H 1 4 LYS H 3.900 . 5.800 4.417 4.377 4.469 . 0 0 "[ . 1 . ]" 1
74 1 3 GLY H 1 6 ALA H 4.400 . 6.000 4.209 3.750 4.470 . 0 0 "[ . 1 . ]" 1
75 1 3 GLY H 1 8 CYS H 4.800 . 6.000 5.912 5.629 6.023 0.023 18 0 "[ . 1 . ]" 1
76 1 3 GLY H 1 16 CYS H 4.100 . 6.000 4.395 4.117 4.654 . 0 0 "[ . 1 . ]" 1
77 1 3 GLY HA2 1 4 LYS H 2.300 . 2.900 2.314 2.246 2.473 . 0 0 "[ . 1 . ]" 1
78 1 3 GLY HA2 1 6 ALA H 5.200 . 6.000 5.173 4.989 5.399 . 0 0 "[ . 1 . ]" 1
79 1 3 GLY HA2 1 6 ALA MB 4.400 . 6.000 4.282 4.108 4.643 . 0 0 "[ . 1 . ]" 1
80 1 3 GLY HA2 1 16 CYS H 4.100 . 6.000 3.490 2.897 3.863 . 0 0 "[ . 1 . ]" 1
81 1 3 GLY HA2 1 16 CYS HB3 4.300 . 6.000 4.276 3.954 4.623 . 0 0 "[ . 1 . ]" 1
82 1 3 GLY HA3 1 4 LYS H 2.400 . 3.100 2.849 2.646 2.938 . 0 0 "[ . 1 . ]" 1
83 1 3 GLY HA3 1 4 LYS HA 5.100 . 6.000 4.719 4.652 4.751 . 0 0 "[ . 1 . ]" 1
84 1 3 GLY HA3 1 4 LYS HB3 5.100 . 6.000 5.283 4.906 5.599 . 0 0 "[ . 1 . ]" 1
85 1 3 GLY HA3 1 6 ALA H 4.600 . 6.000 4.474 4.224 4.823 . 0 0 "[ . 1 . ]" 1
86 1 3 GLY HA3 1 6 ALA MB 4.200 . 6.000 3.248 2.988 3.716 . 0 0 "[ . 1 . ]" 1
87 1 3 GLY HA3 1 16 CYS H 4.800 . 6.000 4.958 4.225 5.321 . 0 0 "[ . 1 . ]" 1
88 1 3 GLY HA3 1 16 CYS HB3 4.700 . 6.000 5.691 4.968 6.157 0.157 8 0 "[ . 1 . ]" 1
89 1 4 LYS H 1 4 LYS HA 2.300 . 3.000 2.814 2.787 2.851 . 0 0 "[ . 1 . ]" 1
90 1 4 LYS H 1 4 LYS HB2 2.200 . 2.800 2.303 2.150 2.587 . 0 0 "[ . 1 . ]" 1
91 1 4 LYS H 1 4 LYS HB3 2.300 . 3.000 2.791 2.454 3.016 0.016 8 0 "[ . 1 . ]" 1
92 1 4 LYS H 1 4 LYS HG3 4.400 . 6.000 4.277 4.020 4.502 . 0 0 "[ . 1 . ]" 1
93 1 4 LYS H 1 5 GLY H 4.200 . 6.000 4.558 4.360 4.631 . 0 0 "[ . 1 . ]" 1
94 1 4 LYS H 1 6 ALA H 4.100 . 6.000 4.509 4.323 4.831 . 0 0 "[ . 1 . ]" 1
95 1 4 LYS H 1 16 CYS H 5.000 . 6.000 5.215 4.895 5.485 . 0 0 "[ . 1 . ]" 1
96 1 4 LYS H 1 16 CYS HB3 5.000 . 6.000 5.570 5.198 6.011 0.011 9 0 "[ . 1 . ]" 1
97 1 4 LYS H 1 26 CYS QB 3.900 . 5.800 4.076 3.665 4.661 . 0 0 "[ . 1 . ]" 1
98 1 4 LYS HA 1 4 LYS HB2 2.800 . 3.800 2.596 2.423 2.726 . 0 0 "[ . 1 . ]" 1
99 1 4 LYS HA 1 4 LYS HB2 2.500 . 3.300 2.572 2.414 2.689 . 0 0 "[ . 1 . ]" 1
100 1 4 LYS HA 1 4 LYS HB3 2.700 . 3.600 2.995 2.945 3.023 . 0 0 "[ . 1 . ]" 1
101 1 4 LYS HA 1 4 LYS HG2 3.000 . 4.200 2.773 2.146 3.409 . 0 0 "[ . 1 . ]" 1
102 1 4 LYS HA 1 4 LYS HG3 2.800 . 3.800 2.637 2.183 3.452 . 0 0 "[ . 1 . ]" 1
103 1 4 LYS HA 1 5 GLY H 1.900 . 2.400 2.178 2.138 2.255 . 0 0 "[ . 1 . ]" 1
104 1 4 LYS HA 1 5 GLY HA3 4.900 . 6.000 4.429 4.384 4.487 . 0 0 "[ . 1 . ]" 1
105 1 4 LYS HA 1 6 ALA H 3.400 . 4.800 3.346 3.171 3.618 . 0 0 "[ . 1 . ]" 1
106 1 4 LYS HA 1 26 CYS QB 2.300 . 3.000 2.208 1.686 2.771 . 0 0 "[ . 1 . ]" 1
107 1 4 LYS HB2 1 5 GLY H 4.100 . 6.000 4.046 2.629 4.423 . 0 0 "[ . 1 . ]" 1
108 1 4 LYS HB2 1 5 GLY H 5.300 . 6.000 4.320 4.096 4.567 . 0 0 "[ . 1 . ]" 1
109 1 4 LYS HB3 1 5 GLY H 3.900 . 5.800 3.932 3.619 4.438 . 0 0 "[ . 1 . ]" 1
110 1 4 LYS HG2 1 5 GLY H 2.800 . 3.800 2.915 2.338 3.801 0.001 8 0 "[ . 1 . ]" 1
111 1 4 LYS HG2 1 5 GLY HA2 3.700 . 5.400 4.197 3.577 5.022 . 0 0 "[ . 1 . ]" 1
112 1 4 LYS HG2 1 5 GLY HA3 4.300 . 6.000 4.214 3.527 5.236 . 0 0 "[ . 1 . ]" 1
113 1 4 LYS HG2 1 26 CYS QB 3.500 . 5.000 4.318 2.852 5.456 0.456 9 0 "[ . 1 . ]" 1
114 1 4 LYS HG3 1 5 GLY H 3.500 . 5.000 3.575 2.690 4.475 . 0 0 "[ . 1 . ]" 1
115 1 5 GLY H 1 5 GLY HA2 2.200 . 2.800 2.350 2.308 2.446 . 0 0 "[ . 1 . ]" 1
116 1 5 GLY H 1 5 GLY HA3 3.000 . 4.100 2.909 2.868 2.953 . 0 0 "[ . 1 . ]" 1
117 1 5 GLY H 1 6 ALA H 2.300 . 3.000 2.564 2.091 2.755 . 0 0 "[ . 1 . ]" 1
118 1 5 GLY H 1 26 CYS QB 2.800 . 3.700 2.704 1.948 3.256 . 0 0 "[ . 1 . ]" 1
119 1 5 GLY HA2 1 6 ALA H 3.200 . 4.500 3.337 3.177 3.439 . 0 0 "[ . 1 . ]" 1
120 1 5 GLY HA2 1 25 ARG HA 4.900 . 6.000 5.424 5.180 5.911 . 0 0 "[ . 1 . ]" 1
121 1 5 GLY HA2 1 25 ARG HB2 3.700 . 5.400 4.886 3.684 5.400 0.000 2 0 "[ . 1 . ]" 1
122 1 5 GLY HA2 1 25 ARG QD 3.700 . 5.400 3.722 3.136 4.644 . 0 0 "[ . 1 . ]" 1
123 1 5 GLY HA2 1 25 ARG HE 4.700 . 6.000 4.987 3.279 6.019 0.019 15 0 "[ . 1 . ]" 1
124 1 5 GLY HA3 1 6 ALA H 3.000 . 4.100 3.196 3.056 3.365 . 0 0 "[ . 1 . ]" 1
125 1 6 ALA H 1 6 ALA HA 2.700 . 3.600 2.925 2.887 2.948 . 0 0 "[ . 1 . ]" 1
126 1 6 ALA H 1 6 ALA MB 2.100 . 2.600 2.280 2.129 2.445 . 0 0 "[ . 1 . ]" 1
127 1 6 ALA H 1 7 PRO HD2 6.000 . 6.000 5.039 4.823 5.290 . 0 0 "[ . 1 . ]" 1
128 1 6 ALA H 1 7 PRO HD3 4.600 . 6.000 4.810 4.507 5.113 . 0 0 "[ . 1 . ]" 1
129 1 6 ALA H 1 25 ARG HA 4.700 . 6.000 4.919 4.500 5.300 . 0 0 "[ . 1 . ]" 1
130 1 6 ALA H 1 25 ARG QD 3.900 . 5.800 4.285 3.642 5.279 . 0 0 "[ . 1 . ]" 1
131 1 6 ALA H 1 26 CYS QB 2.500 . 3.300 2.922 2.496 3.311 0.011 17 0 "[ . 1 . ]" 1
132 1 6 ALA HA 1 6 ALA MB 2.300 . 2.900 2.115 2.095 2.130 . 0 0 "[ . 1 . ]" 1
133 1 6 ALA HA 1 7 PRO HB2 5.100 . 6.000 4.221 4.143 4.325 . 0 0 "[ . 1 . ]" 1
134 1 6 ALA HA 1 7 PRO HB3 5.500 . 6.000 5.152 4.830 5.482 . 0 0 "[ . 1 . ]" 1
135 1 6 ALA HA 1 7 PRO HD2 2.500 . 3.300 2.430 2.130 2.716 . 0 0 "[ . 1 . ]" 1
136 1 6 ALA HA 1 7 PRO HD3 2.000 . 2.500 2.153 1.872 2.438 . 0 0 "[ . 1 . ]" 1
137 1 6 ALA HA 1 7 PRO HG3 5.300 . 6.000 4.297 4.054 4.527 . 0 0 "[ . 1 . ]" 1
138 1 6 ALA MB 1 7 PRO HD2 2.500 . 3.300 2.642 2.194 3.018 . 0 0 "[ . 1 . ]" 1
139 1 6 ALA MB 1 7 PRO HD3 3.400 . 4.800 3.465 3.187 3.760 . 0 0 "[ . 1 . ]" 1
140 1 6 ALA MB 1 7 PRO HG3 5.000 . 6.000 4.862 4.579 5.120 . 0 0 "[ . 1 . ]" 1
141 1 7 PRO HA 1 7 PRO HB3 2.200 . 2.800 2.291 2.280 2.305 . 0 0 "[ . 1 . ]" 1
142 1 7 PRO HA 1 7 PRO HD2 4.000 . 6.000 4.023 3.928 4.102 . 0 0 "[ . 1 . ]" 1
143 1 7 PRO HA 1 7 PRO HD3 3.500 . 5.000 3.648 3.472 3.779 . 0 0 "[ . 1 . ]" 1
144 1 7 PRO HA 1 7 PRO HG3 3.900 . 5.800 3.582 3.019 4.034 . 0 0 "[ . 1 . ]" 1
145 1 7 PRO HA 1 25 ARG H 4.600 . 6.000 4.411 4.103 4.783 . 0 0 "[ . 1 . ]" 1
146 1 7 PRO HA 1 25 ARG HA 2.500 . 3.300 2.185 1.892 2.536 . 0 0 "[ . 1 . ]" 1
147 1 7 PRO HA 1 25 ARG HB3 4.800 . 6.000 4.208 3.404 4.868 . 0 0 "[ . 1 . ]" 1
148 1 7 PRO HA 1 25 ARG QD 2.200 . 2.800 2.382 2.013 2.670 . 0 0 "[ . 1 . ]" 1
149 1 7 PRO HA 1 25 ARG HE 5.400 . 6.000 4.834 4.168 5.420 . 0 0 "[ . 1 . ]" 1
150 1 7 PRO HA 1 25 ARG QG 3.300 . 4.600 3.060 2.391 3.689 . 0 0 "[ . 1 . ]" 1
151 1 7 PRO HA 1 26 CYS H 3.900 . 5.800 3.881 3.524 4.349 . 0 0 "[ . 1 . ]" 1
152 1 7 PRO HB2 1 7 PRO HD2 2.500 . 3.300 2.268 2.235 2.302 . 0 0 "[ . 1 . ]" 1
153 1 7 PRO HB2 1 7 PRO HD3 2.900 . 3.900 2.784 2.637 2.900 . 0 0 "[ . 1 . ]" 1
154 1 7 PRO HB2 1 25 ARG HA 5.100 . 6.000 4.731 4.429 5.143 . 0 0 "[ . 1 . ]" 1
155 1 7 PRO HB2 1 25 ARG QD 5.600 . 6.000 4.086 3.719 4.378 . 0 0 "[ . 1 . ]" 1
156 1 7 PRO HB3 1 7 PRO HD2 4.100 . 6.000 3.882 3.870 3.903 . 0 0 "[ . 1 . ]" 1
157 1 7 PRO HB3 1 7 PRO HD3 3.600 . 5.200 3.452 2.946 4.054 . 0 0 "[ . 1 . ]" 1
158 1 7 PRO HB3 1 8 CYS H 4.100 . 6.000 4.295 4.036 4.532 . 0 0 "[ . 1 . ]" 1
159 1 7 PRO HB3 1 25 ARG HA 4.900 . 6.000 4.270 3.920 4.792 . 0 0 "[ . 1 . ]" 1
160 1 7 PRO HB3 1 25 ARG HB3 6.000 . 6.000 5.825 4.993 6.704 0.704 7 1 "[ . + 1 . ]" 1
161 1 7 PRO HB3 1 25 ARG QG 4.800 . 6.000 4.011 3.253 5.388 . 0 0 "[ . 1 . ]" 1
162 1 7 PRO HD2 1 7 PRO HG3 2.800 . 3.800 2.831 2.686 2.993 . 0 0 "[ . 1 . ]" 1
163 1 7 PRO HD2 1 8 CYS H 5.300 . 6.000 5.192 4.938 5.295 . 0 0 "[ . 1 . ]" 1
164 1 7 PRO HD2 1 25 ARG QD 4.100 . 6.000 3.971 3.547 4.434 . 0 0 "[ . 1 . ]" 1
165 1 7 PRO HD3 1 7 PRO HG3 2.500 . 3.300 2.310 2.295 2.316 . 0 0 "[ . 1 . ]" 1
166 1 7 PRO HD3 1 8 CYS H 5.400 . 6.000 5.317 5.165 5.446 . 0 0 "[ . 1 . ]" 1
167 1 7 PRO HD3 1 25 ARG HE 4.600 . 6.000 4.025 2.292 5.746 . 0 0 "[ . 1 . ]" 1
168 1 7 PRO HG3 1 8 CYS H 6.000 . 6.000 5.544 5.182 5.827 . 0 0 "[ . 1 . ]" 1
169 1 8 CYS H 1 8 CYS HA 2.900 . 3.900 2.888 2.879 2.917 . 0 0 "[ . 1 . ]" 1
170 1 8 CYS H 1 8 CYS HB2 3.600 . 5.200 3.594 3.548 3.626 . 0 0 "[ . 1 . ]" 1
171 1 8 CYS H 1 8 CYS HB3 3.000 . 4.100 2.850 2.668 2.990 . 0 0 "[ . 1 . ]" 1
172 1 8 CYS H 1 9 ARG H 3.700 . 5.400 4.538 4.444 4.576 . 0 0 "[ . 1 . ]" 1
173 1 8 CYS H 1 24 GLY HA2 3.800 . 5.600 4.675 4.314 4.942 . 0 0 "[ . 1 . ]" 1
174 1 8 CYS H 1 24 GLY HA3 4.000 . 6.000 4.928 4.478 5.293 . 0 0 "[ . 1 . ]" 1
175 1 8 CYS H 1 25 ARG HA 2.500 . 3.300 2.374 1.940 2.656 . 0 0 "[ . 1 . ]" 1
176 1 8 CYS H 1 25 ARG HB3 5.300 . 6.000 4.808 4.050 5.528 . 0 0 "[ . 1 . ]" 1
177 1 8 CYS H 1 26 CYS H 3.500 . 5.000 3.096 2.727 3.481 . 0 0 "[ . 1 . ]" 1
178 1 8 CYS HA 1 8 CYS HB2 2.400 . 3.100 2.530 2.446 2.603 . 0 0 "[ . 1 . ]" 1
179 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.900 2.385 2.326 2.460 . 0 0 "[ . 1 . ]" 1
180 1 8 CYS HA 1 9 ARG H 2.200 . 2.800 2.548 2.446 2.717 . 0 0 "[ . 1 . ]" 1
181 1 8 CYS HA 1 14 ASP HB2 4.600 . 6.000 5.912 5.658 6.024 0.024 13 0 "[ . 1 . ]" 1
182 1 8 CYS HA 1 14 ASP HB3 4.600 . 6.000 5.489 5.167 5.867 . 0 0 "[ . 1 . ]" 1
183 1 8 CYS HB2 1 9 ARG H 2.200 . 2.800 2.133 1.883 2.353 . 0 0 "[ . 1 . ]" 1
184 1 8 CYS HB2 1 9 ARG HA 4.500 . 6.000 4.543 4.452 4.710 . 0 0 "[ . 1 . ]" 1
185 1 8 CYS HB2 1 10 LYS H 5.300 . 6.000 5.714 5.599 5.917 . 0 0 "[ . 1 . ]" 1
186 1 8 CYS HB2 1 14 ASP H 4.100 . 6.000 4.449 4.135 4.862 . 0 0 "[ . 1 . ]" 1
187 1 8 CYS HB2 1 14 ASP HB2 3.300 . 4.600 4.305 3.860 4.638 0.038 17 0 "[ . 1 . ]" 1
188 1 8 CYS HB2 1 20 CYS H 4.000 . 6.000 5.187 4.770 5.991 . 0 0 "[ . 1 . ]" 1
189 1 8 CYS HB2 1 25 ARG HA 5.600 . 6.000 5.613 5.020 5.980 . 0 0 "[ . 1 . ]" 1
190 1 8 CYS HB2 1 26 CYS H 4.800 . 6.000 5.308 4.586 5.832 . 0 0 "[ . 1 . ]" 1
191 1 8 CYS HB3 1 9 ARG H 3.900 . 5.800 3.516 3.401 3.704 . 0 0 "[ . 1 . ]" 1
192 1 8 CYS HB3 1 25 ARG HA 4.500 . 6.000 4.732 4.090 5.094 . 0 0 "[ . 1 . ]" 1
193 1 8 CYS HB3 1 26 CYS H 3.200 . 4.500 4.006 3.290 4.504 0.004 8 0 "[ . 1 . ]" 1
194 1 9 ARG H 1 9 ARG HA 2.700 . 3.600 2.912 2.892 2.930 . 0 0 "[ . 1 . ]" 1
195 1 9 ARG H 1 9 ARG QB 3.100 . 4.300 2.767 2.626 2.902 . 0 0 "[ . 1 . ]" 1
196 1 9 ARG H 1 9 ARG QD 4.900 . 6.000 3.699 2.363 4.091 . 0 0 "[ . 1 . ]" 1
197 1 9 ARG H 1 9 ARG HE 4.800 . 6.000 4.467 4.137 5.220 . 0 0 "[ . 1 . ]" 1
198 1 9 ARG H 1 9 ARG QG 2.300 . 2.900 2.011 1.749 2.302 . 0 0 "[ . 1 . ]" 1
199 1 9 ARG H 1 10 LYS H 4.400 . 6.000 4.495 4.444 4.542 . 0 0 "[ . 1 . ]" 1
200 1 9 ARG H 1 10 LYS HA 5.000 . 6.000 5.255 5.140 5.352 . 0 0 "[ . 1 . ]" 1
201 1 9 ARG H 1 11 THR H 5.000 . 6.000 4.521 4.379 4.963 . 0 0 "[ . 1 . ]" 1
202 1 9 ARG H 1 12 MET H 5.100 . 6.000 5.251 4.957 5.478 . 0 0 "[ . 1 . ]" 1
203 1 9 ARG H 1 12 MET QG 5.400 . 6.000 5.754 5.543 5.800 . 0 0 "[ . 1 . ]" 1
204 1 9 ARG H 1 14 ASP H 5.000 . 6.000 5.120 4.643 5.348 . 0 0 "[ . 1 . ]" 1
205 1 9 ARG H 1 14 ASP HB2 3.900 . 5.800 4.269 3.823 4.606 . 0 0 "[ . 1 . ]" 1
206 1 9 ARG H 1 14 ASP HB3 4.000 . 6.000 4.583 4.300 4.844 . 0 0 "[ . 1 . ]" 1
207 1 9 ARG HA 1 9 ARG QB 2.500 . 3.300 2.178 2.174 2.181 . 0 0 "[ . 1 . ]" 1
208 1 9 ARG HA 1 9 ARG QG 2.900 . 3.900 3.342 3.324 3.364 . 0 0 "[ . 1 . ]" 1
209 1 9 ARG HA 1 10 LYS H 2.000 . 2.500 2.151 2.140 2.173 . 0 0 "[ . 1 . ]" 1
210 1 9 ARG HA 1 10 LYS HA 4.500 . 6.000 4.346 4.334 4.369 . 0 0 "[ . 1 . ]" 1
211 1 9 ARG HA 1 10 LYS HG3 5.000 . 6.000 4.185 3.344 5.045 . 0 0 "[ . 1 . ]" 1
212 1 9 ARG QB 1 9 ARG HE 4.200 . 6.000 3.978 3.805 4.215 . 0 0 "[ . 1 . ]" 1
213 1 9 ARG QB 1 11 THR MG 4.200 . 6.000 4.383 4.127 4.520 . 0 0 "[ . 1 . ]" 1
214 1 9 ARG QB 1 12 MET QG 4.900 . 6.000 5.216 4.861 5.393 . 0 0 "[ . 1 . ]" 1
215 1 9 ARG HB2 1 11 THR MG 3.700 . 5.400 4.560 4.267 4.704 . 0 0 "[ . 1 . ]" 1
216 1 9 ARG QD 1 9 ARG QH1 2.800 . 3.800 1.942 1.862 2.003 . 0 0 "[ . 1 . ]" 1
217 1 9 ARG QD 1 10 LYS H 5.800 . 6.000 5.066 4.763 5.478 . 0 0 "[ . 1 . ]" 1
218 1 9 ARG QD 1 12 MET QG 4.600 . 6.000 4.054 2.400 4.730 . 0 0 "[ . 1 . ]" 1
219 1 9 ARG HD2 1 9 ARG QH1 3.100 . 4.300 2.156 1.871 3.416 0.029 17 0 "[ . 1 . ]" 1
220 1 9 ARG HD2 1 11 THR MG 5.300 . 6.000 3.603 2.885 5.078 . 0 0 "[ . 1 . ]" 1
221 1 9 ARG HD2 1 12 MET QG 4.600 . 6.000 4.347 2.422 5.419 . 0 0 "[ . 1 . ]" 1
222 1 9 ARG HD3 1 9 ARG QH1 3.300 . 4.600 2.568 2.012 3.383 . 0 0 "[ . 1 . ]" 1
223 1 9 ARG HE 1 9 ARG QG 2.500 . 3.300 2.400 2.176 2.839 . 0 0 "[ . 1 . ]" 1
224 1 9 ARG HE 1 9 ARG QH2 2.800 . 3.800 2.251 2.248 2.254 . 0 0 "[ . 1 . ]" 1
225 1 9 ARG HE 1 12 MET QB 4.800 . 6.000 5.445 4.659 6.007 0.007 18 0 "[ . 1 . ]" 1
226 1 9 ARG HE 1 12 MET QG 4.300 . 6.000 3.302 2.452 3.888 . 0 0 "[ . 1 . ]" 1
227 1 9 ARG QG 1 9 ARG QH1 4.400 . 6.000 3.389 2.396 3.740 . 0 0 "[ . 1 . ]" 1
228 1 9 ARG QG 1 11 THR H 3.700 . 5.400 2.708 2.209 3.491 . 0 0 "[ . 1 . ]" 1
229 1 9 ARG QG 1 11 THR MG 4.800 . 6.000 3.929 3.327 4.543 . 0 0 "[ . 1 . ]" 1
230 1 9 ARG QG 1 12 MET H 3.900 . 5.800 3.001 2.506 3.532 . 0 0 "[ . 1 . ]" 1
231 1 9 ARG QG 1 12 MET QG 3.600 . 5.200 3.534 3.306 3.813 . 0 0 "[ . 1 . ]" 1
232 1 9 ARG QH1 1 11 THR HA 4.900 . 6.000 5.556 4.646 6.047 0.047 1 0 "[ . 1 . ]" 1
233 1 9 ARG HH12 1 12 MET QG 4.700 . 6.000 3.187 2.530 4.933 . 0 0 "[ . 1 . ]" 1
234 1 9 ARG QH2 1 12 MET ME 3.100 . 4.300 2.788 2.005 4.106 . 0 0 "[ . 1 . ]" 1
235 1 9 ARG QH2 1 12 MET QG 4.500 . 6.000 3.247 2.534 5.087 . 0 0 "[ . 1 . ]" 1
236 1 10 LYS H 1 10 LYS HA 2.500 . 3.300 2.856 2.842 2.870 . 0 0 "[ . 1 . ]" 1
237 1 10 LYS H 1 10 LYS HG2 3.500 . 5.100 3.673 2.874 4.375 . 0 0 "[ . 1 . ]" 1
238 1 10 LYS H 1 10 LYS HG3 2.600 . 3.500 2.653 1.805 3.477 . 0 0 "[ . 1 . ]" 1
239 1 10 LYS H 1 11 THR H 3.000 . 4.100 3.211 2.897 3.898 . 0 0 "[ . 1 . ]" 1
240 1 10 LYS H 1 11 THR MG 4.500 . 6.000 5.960 5.901 6.059 0.059 15 0 "[ . 1 . ]" 1
241 1 10 LYS H 1 12 MET H 5.000 . 6.000 5.497 5.230 5.931 . 0 0 "[ . 1 . ]" 1
242 1 10 LYS H 1 20 CYS HB3 4.400 . 6.000 5.462 4.991 5.776 . 0 0 "[ . 1 . ]" 1
243 1 10 LYS HA 1 10 LYS QB 2.500 . 3.300 2.409 2.266 2.536 . 0 0 "[ . 1 . ]" 1
244 1 10 LYS HA 1 10 LYS QD 4.500 . 6.000 3.916 3.234 4.279 . 0 0 "[ . 1 . ]" 1
245 1 10 LYS HA 1 10 LYS HG2 3.200 . 4.500 2.645 2.286 3.180 . 0 0 "[ . 1 . ]" 1
246 1 10 LYS HA 1 10 LYS HG3 3.500 . 5.000 2.911 2.259 3.593 . 0 0 "[ . 1 . ]" 1
247 1 10 LYS HA 1 11 THR H 2.600 . 3.400 2.829 2.336 3.094 . 0 0 "[ . 1 . ]" 1
248 1 10 LYS HA 1 11 THR MG 4.700 . 6.000 5.821 5.605 5.948 . 0 0 "[ . 1 . ]" 1
249 1 10 LYS HA 1 12 MET H 4.300 . 6.000 4.359 4.064 4.704 . 0 0 "[ . 1 . ]" 1
250 1 10 LYS HA 1 20 CYS H 4.600 . 6.000 5.706 5.108 5.980 . 0 0 "[ . 1 . ]" 1
251 1 10 LYS HA 1 20 CYS HB2 3.000 . 4.100 3.764 2.974 4.118 0.018 17 0 "[ . 1 . ]" 1
252 1 10 LYS HA 1 20 CYS HB3 2.800 . 3.800 3.231 2.853 3.601 . 0 0 "[ . 1 . ]" 1
253 1 10 LYS QD 1 24 GLY HA2 4.400 . 6.000 3.569 2.396 4.555 . 0 0 "[ . 1 . ]" 1
254 1 10 LYS QE 1 22 ARG HA 4.100 . 6.000 4.120 3.135 5.292 . 0 0 "[ . 1 . ]" 1
255 1 10 LYS QE 1 24 GLY HA2 4.500 . 6.000 3.382 2.049 5.267 . 0 0 "[ . 1 . ]" 1
256 1 10 LYS QE 1 24 GLY HA3 4.200 . 6.000 3.805 2.265 5.255 . 0 0 "[ . 1 . ]" 1
257 1 10 LYS HG2 1 20 CYS HB3 4.700 . 6.000 4.152 3.261 5.178 . 0 0 "[ . 1 . ]" 1
258 1 10 LYS HG2 1 22 ARG HA 3.900 . 5.800 4.545 3.127 5.766 . 0 0 "[ . 1 . ]" 1
259 1 10 LYS HG3 1 24 GLY H 5.500 . 6.000 4.702 3.457 5.871 . 0 0 "[ . 1 . ]" 1
260 1 10 LYS HG3 1 24 GLY HA2 3.800 . 5.600 3.015 2.108 4.107 . 0 0 "[ . 1 . ]" 1
261 1 10 LYS HG3 1 24 GLY HA3 4.400 . 6.000 4.092 2.781 4.928 . 0 0 "[ . 1 . ]" 1
262 1 11 THR H 1 11 THR HB 3.000 . 4.100 2.503 2.342 2.735 . 0 0 "[ . 1 . ]" 1
263 1 11 THR H 1 11 THR MG 3.600 . 5.200 3.773 3.697 3.850 . 0 0 "[ . 1 . ]" 1
264 1 11 THR H 1 12 MET H 2.900 . 3.900 2.430 1.980 2.614 . 0 0 "[ . 1 . ]" 1
265 1 11 THR H 1 12 MET QG 6.000 . 6.000 4.298 4.015 4.543 . 0 0 "[ . 1 . ]" 1
266 1 11 THR HA 1 11 THR HB 2.400 . 3.100 3.023 3.011 3.026 . 0 0 "[ . 1 . ]" 1
267 1 11 THR HA 1 11 THR MG 2.400 . 3.100 2.425 2.275 2.549 . 0 0 "[ . 1 . ]" 1
268 1 11 THR HA 1 12 MET H 2.900 . 3.900 3.560 3.542 3.568 . 0 0 "[ . 1 . ]" 1
269 1 11 THR HB 1 11 THR MG 2.300 . 2.900 2.100 2.085 2.130 . 0 0 "[ . 1 . ]" 1
270 1 11 THR HB 1 12 MET H 3.000 . 4.100 2.307 2.123 2.571 . 0 0 "[ . 1 . ]" 1
271 1 11 THR HB 1 12 MET QG 4.600 . 6.000 2.968 2.727 3.129 . 0 0 "[ . 1 . ]" 1
272 1 11 THR HB 1 13 TYR H 5.900 . 6.000 6.029 6.011 6.050 0.050 18 0 "[ . 1 . ]" 1
273 1 11 THR HB 1 14 ASP HB2 3.900 . 5.800 4.992 4.769 5.510 . 0 0 "[ . 1 . ]" 1
274 1 11 THR MG 1 12 MET H 4.000 . 6.000 3.155 2.672 3.423 . 0 0 "[ . 1 . ]" 1
275 1 11 THR MG 1 12 MET HA 4.800 . 6.000 4.007 3.672 4.285 . 0 0 "[ . 1 . ]" 1
276 1 11 THR MG 1 12 MET QG 4.400 . 6.000 2.754 2.045 3.217 . 0 0 "[ . 1 . ]" 1
277 1 11 THR MG 1 13 TYR H 3.800 . 5.600 5.348 5.078 5.616 0.016 12 0 "[ . 1 . ]" 1
278 1 11 THR MG 1 14 ASP HB2 3.800 . 5.600 5.549 5.212 5.626 0.026 17 0 "[ . 1 . ]" 1
279 1 12 MET H 1 12 MET HA 2.800 . 3.800 2.902 2.875 2.943 . 0 0 "[ . 1 . ]" 1
280 1 12 MET H 1 12 MET QB 2.800 . 3.800 3.209 3.027 3.311 . 0 0 "[ . 1 . ]" 1
281 1 12 MET H 1 12 MET ME 5.400 . 6.000 4.792 3.566 5.093 . 0 0 "[ . 1 . ]" 1
282 1 12 MET H 1 12 MET QG 3.600 . 4.100 2.246 2.056 2.457 . 0 0 "[ . 1 . ]" 1
283 1 12 MET H 1 13 TYR H 3.400 . 4.800 4.166 4.004 4.247 . 0 0 "[ . 1 . ]" 1
284 1 12 MET H 1 13 TYR QD 5.000 . 6.000 5.880 5.577 6.024 0.024 10 0 "[ . 1 . ]" 1
285 1 12 MET H 1 14 ASP H 4.000 . 6.000 4.014 3.866 4.216 . 0 0 "[ . 1 . ]" 1
286 1 12 MET H 1 20 CYS H 4.800 . 6.000 5.761 5.401 6.004 0.004 11 0 "[ . 1 . ]" 1
287 1 12 MET HA 1 12 MET QB 2.400 . 3.100 2.181 2.175 2.184 . 0 0 "[ . 1 . ]" 1
288 1 12 MET HA 1 12 MET ME 4.700 . 6.000 4.887 4.078 5.411 . 0 0 "[ . 1 . ]" 1
289 1 12 MET HA 1 12 MET QG 3.700 . 5.000 3.337 3.314 3.350 . 0 0 "[ . 1 . ]" 1
290 1 12 MET HA 1 13 TYR QD 3.600 . 5.300 4.108 3.838 4.573 . 0 0 "[ . 1 . ]" 1
291 1 12 MET QB 1 13 TYR H 2.200 . 2.800 1.659 1.586 1.766 0.014 15 0 "[ . 1 . ]" 1
292 1 12 MET QB 1 13 TYR QD 5.200 . 6.000 3.519 3.152 3.798 . 0 0 "[ . 1 . ]" 1
293 1 12 MET HB2 1 13 TYR QD 3.900 . 5.800 3.596 3.194 3.892 . 0 0 "[ . 1 . ]" 1
294 1 12 MET QG 1 13 TYR H 4.500 . 6.000 2.667 2.283 3.193 . 0 0 "[ . 1 . ]" 1
295 1 12 MET QG 1 13 TYR QD 5.700 . 6.000 4.441 3.872 5.133 . 0 0 "[ . 1 . ]" 1
296 1 13 TYR H 1 13 TYR HA 2.500 . 3.300 2.938 2.924 2.945 . 0 0 "[ . 1 . ]" 1
297 1 13 TYR H 1 13 TYR HB2 2.700 . 3.600 3.258 2.817 3.558 . 0 0 "[ . 1 . ]" 1
298 1 13 TYR H 1 13 TYR HB3 3.300 . 4.600 3.557 3.371 3.709 . 0 0 "[ . 1 . ]" 1
299 1 13 TYR H 1 13 TYR QE 4.700 . 6.000 3.904 3.713 4.142 . 0 0 "[ . 1 . ]" 1
300 1 13 TYR HA 1 13 TYR HB3 2.400 . 3.100 2.259 2.235 2.325 . 0 0 "[ . 1 . ]" 1
301 1 13 TYR HA 1 13 TYR QD 3.100 . 4.300 3.362 2.938 3.675 . 0 0 "[ . 1 . ]" 1
302 1 13 TYR HB2 1 13 TYR QD 2.400 . 3.100 2.408 2.291 2.659 . 0 0 "[ . 1 . ]" 1
303 1 13 TYR HB2 1 13 TYR QE 4.600 . 6.000 4.419 4.385 4.484 . 0 0 "[ . 1 . ]" 1
304 1 13 TYR HB2 1 14 ASP H 3.900 . 5.800 4.289 4.237 4.366 . 0 0 "[ . 1 . ]" 1
305 1 13 TYR HB3 1 13 TYR QD 2.500 . 3.300 2.403 2.276 2.564 . 0 0 "[ . 1 . ]" 1
306 1 13 TYR HB3 1 13 TYR QE 4.700 . 6.000 4.419 4.383 4.462 . 0 0 "[ . 1 . ]" 1
307 1 13 TYR HB3 1 14 ASP H 4.100 . 6.000 4.465 4.354 4.575 . 0 0 "[ . 1 . ]" 1
308 1 13 TYR HB3 1 19 ARG HG3 4.400 . 6.000 4.331 2.812 5.342 . 0 0 "[ . 1 . ]" 1
309 1 13 TYR QD 1 14 ASP H 4.800 . 6.000 4.883 4.361 4.999 . 0 0 "[ . 1 . ]" 1
310 1 14 ASP H 1 14 ASP HA 2.700 . 3.600 2.881 2.875 2.899 . 0 0 "[ . 1 . ]" 1
311 1 14 ASP H 1 14 ASP HB2 2.600 . 3.400 2.143 2.108 2.203 . 0 0 "[ . 1 . ]" 1
312 1 14 ASP H 1 14 ASP HB3 3.100 . 4.300 3.198 3.052 3.426 . 0 0 "[ . 1 . ]" 1
313 1 14 ASP H 1 15 CYS H 2.500 . 3.300 2.472 2.349 2.742 . 0 0 "[ . 1 . ]" 1
314 1 14 ASP H 1 15 CYS HB2 5.200 . 6.000 4.653 4.269 5.057 . 0 0 "[ . 1 . ]" 1
315 1 14 ASP H 1 20 CYS H 4.700 . 6.000 4.266 3.824 4.682 . 0 0 "[ . 1 . ]" 1
316 1 14 ASP HA 1 14 ASP HB2 2.600 . 3.400 2.832 2.756 2.948 . 0 0 "[ . 1 . ]" 1
317 1 14 ASP HA 1 14 ASP HB3 2.600 . 3.400 2.863 2.727 2.928 . 0 0 "[ . 1 . ]" 1
318 1 14 ASP HA 1 15 CYS H 3.000 . 4.200 3.337 3.098 3.447 . 0 0 "[ . 1 . ]" 1
319 1 14 ASP HB2 1 15 CYS H 3.700 . 5.400 3.754 3.493 4.120 . 0 0 "[ . 1 . ]" 1
320 1 14 ASP HB2 1 15 CYS HA 4.000 . 6.000 5.242 4.904 5.433 . 0 0 "[ . 1 . ]" 1
321 1 14 ASP HB3 1 15 CYS HA 3.500 . 5.100 4.129 3.995 4.324 . 0 0 "[ . 1 . ]" 1
322 1 15 CYS HA 1 15 CYS HB2 2.800 . 3.800 2.822 2.301 3.026 . 0 0 "[ . 1 . ]" 1
323 1 15 CYS HA 1 16 CYS H 2.000 . 2.500 2.181 2.137 2.270 . 0 0 "[ . 1 . ]" 1
324 1 15 CYS HB2 1 16 CYS H 3.800 . 5.600 4.196 3.901 4.487 . 0 0 "[ . 1 . ]" 1
325 1 15 CYS HB2 1 18 GLY H 4.700 . 6.000 4.440 2.989 6.015 0.015 2 0 "[ . 1 . ]" 1
326 1 15 CYS HB2 1 18 GLY HA2 5.600 . 6.000 5.251 4.307 6.813 0.813 2 1 "[ + . 1 . ]" 1
327 1 15 CYS HB2 1 18 GLY HA3 5.200 . 6.000 4.522 3.616 5.930 . 0 0 "[ . 1 . ]" 1
328 1 15 CYS HB2 1 19 ARG HA 3.400 . 4.800 2.898 2.108 4.229 . 0 0 "[ . 1 . ]" 1
329 1 15 CYS HB2 1 19 ARG HB3 5.700 . 6.000 4.819 4.108 6.034 0.034 2 0 "[ . 1 . ]" 1
330 1 15 CYS HB2 1 20 CYS H 4.600 . 6.000 4.144 3.238 5.038 . 0 0 "[ . 1 . ]" 1
331 1 15 CYS HB3 1 16 CYS H 3.200 . 4.500 3.505 2.804 4.440 . 0 0 "[ . 1 . ]" 1
332 1 15 CYS HB3 1 18 GLY H 4.200 . 6.000 3.897 2.985 4.986 . 0 0 "[ . 1 . ]" 1
333 1 16 CYS H 1 16 CYS HA 2.500 . 3.300 2.838 2.782 2.898 . 0 0 "[ . 1 . ]" 1
334 1 16 CYS H 1 16 CYS HB2 2.400 . 3.100 2.125 2.058 2.238 . 0 0 "[ . 1 . ]" 1
335 1 16 CYS H 1 16 CYS HB3 2.900 . 3.900 3.174 3.002 3.506 . 0 0 "[ . 1 . ]" 1
336 1 16 CYS H 1 17 LYS H 2.400 . 3.100 2.577 2.308 2.716 . 0 0 "[ . 1 . ]" 1
337 1 16 CYS H 1 17 LYS QD 5.300 . 6.000 4.001 3.321 4.989 . 0 0 "[ . 1 . ]" 1
338 1 16 CYS H 1 17 LYS QG 4.800 . 6.000 4.306 3.330 5.984 . 0 0 "[ . 1 . ]" 1
339 1 16 CYS HA 1 16 CYS HB2 2.400 . 3.100 2.807 2.715 2.980 . 0 0 "[ . 1 . ]" 1
340 1 16 CYS HA 1 16 CYS HB3 2.800 . 3.800 2.878 2.661 2.955 . 0 0 "[ . 1 . ]" 1
341 1 16 CYS HA 1 17 LYS H 2.800 . 3.800 3.407 3.266 3.554 . 0 0 "[ . 1 . ]" 1
342 1 16 CYS HA 1 17 LYS QD 3.100 . 4.300 4.179 3.996 4.320 0.020 5 0 "[ . 1 . ]" 1
343 1 16 CYS HA 1 17 LYS QG 4.900 . 6.000 4.961 4.385 5.792 . 0 0 "[ . 1 . ]" 1
344 1 16 CYS HB2 1 17 LYS H 3.300 . 4.700 3.608 2.701 3.935 . 0 0 "[ . 1 . ]" 1
345 1 16 CYS HB2 1 17 LYS QG 4.600 . 6.000 4.409 3.143 5.942 . 0 0 "[ . 1 . ]" 1
346 1 16 CYS HB3 1 17 LYS QG 4.000 . 6.000 3.594 2.593 4.677 . 0 0 "[ . 1 . ]" 1
347 1 17 LYS H 1 17 LYS QG 3.700 . 5.400 2.660 2.032 4.159 . 0 0 "[ . 1 . ]" 1
348 1 17 LYS HA 1 17 LYS QG 3.500 . 5.000 3.016 2.179 3.410 . 0 0 "[ . 1 . ]" 1
349 1 17 LYS HA 1 18 GLY H 2.300 . 2.900 2.455 2.229 2.876 . 0 0 "[ . 1 . ]" 1
350 1 17 LYS QB 1 18 GLY H 3.600 . 5.200 3.863 3.704 3.984 . 0 0 "[ . 1 . ]" 1
351 1 17 LYS QD 1 18 GLY H 3.800 . 5.600 5.087 4.642 5.478 . 0 0 "[ . 1 . ]" 1
352 1 17 LYS QG 1 18 GLY H 3.200 . 4.500 4.460 4.193 4.538 0.038 2 0 "[ . 1 . ]" 1
353 1 18 GLY H 1 18 GLY HA2 2.200 . 2.800 2.502 2.377 2.729 . 0 0 "[ . 1 . ]" 1
354 1 18 GLY H 1 18 GLY HA3 2.900 . 4.000 2.946 2.875 2.956 . 0 0 "[ . 1 . ]" 1
355 1 18 GLY H 1 19 ARG HB3 3.600 . 5.200 5.349 4.755 6.007 0.807 1 4 "[+* -* 1 . ]" 1
356 1 18 GLY HA2 1 19 ARG H 3.000 . 4.100 3.012 2.757 3.361 . 0 0 "[ . 1 . ]" 1
357 1 18 GLY HA2 1 19 ARG HB3 4.400 . 6.000 4.042 3.069 4.727 . 0 0 "[ . 1 . ]" 1
358 1 18 GLY HA2 1 19 ARG HG3 4.400 . 6.000 4.111 3.053 5.845 . 0 0 "[ . 1 . ]" 1
359 1 18 GLY HA3 1 19 ARG H 2.100 . 2.600 2.227 2.134 2.386 . 0 0 "[ . 1 . ]" 1
360 1 18 GLY HA3 1 19 ARG HG3 5.300 . 6.000 4.258 3.264 5.751 . 0 0 "[ . 1 . ]" 1
361 1 19 ARG H 1 19 ARG HG3 3.200 . 4.500 2.645 1.888 3.904 0.012 14 0 "[ . 1 . ]" 1
362 1 19 ARG HA 1 19 ARG QD 3.800 . 5.600 4.183 3.645 4.536 . 0 0 "[ . 1 . ]" 1
363 1 19 ARG HA 1 20 CYS H 2.200 . 2.800 2.440 2.322 2.570 . 0 0 "[ . 1 . ]" 1
364 1 19 ARG HB2 1 19 ARG HE 5.100 . 6.000 3.495 2.323 4.659 . 0 0 "[ . 1 . ]" 1
365 1 19 ARG HB2 1 20 CYS H 2.600 . 3.500 2.689 2.076 3.667 0.167 18 0 "[ . 1 . ]" 1
366 1 19 ARG HB3 1 20 CYS H 3.000 . 4.100 3.171 2.308 3.825 . 0 0 "[ . 1 . ]" 1
367 1 19 ARG HG3 1 20 CYS H 4.100 . 6.000 4.403 3.472 4.869 . 0 0 "[ . 1 . ]" 1
368 1 20 CYS H 1 20 CYS HA 3.000 . 4.100 2.820 2.782 2.871 . 0 0 "[ . 1 . ]" 1
369 1 20 CYS H 1 20 CYS HB2 2.800 . 3.800 2.211 2.100 2.347 . 0 0 "[ . 1 . ]" 1
370 1 20 CYS H 1 20 CYS HB3 2.400 . 3.100 3.125 2.846 3.569 0.469 4 0 "[ . 1 . ]" 1
371 1 20 CYS H 1 21 GLY H 4.200 . 6.000 4.609 4.524 4.643 . 0 0 "[ . 1 . ]" 1
372 1 20 CYS H 1 21 GLY HA2 4.100 . 6.000 5.490 5.336 5.588 . 0 0 "[ . 1 . ]" 1
373 1 20 CYS H 1 26 CYS HA 3.400 . 4.800 4.660 4.327 4.833 0.033 18 0 "[ . 1 . ]" 1
374 1 20 CYS HA 1 20 CYS HB2 2.500 . 3.300 2.774 2.612 3.015 . 0 0 "[ . 1 . ]" 1
375 1 20 CYS HA 1 20 CYS HB3 2.800 . 3.800 2.866 2.558 3.001 . 0 0 "[ . 1 . ]" 1
376 1 20 CYS HA 1 21 GLY H 2.100 . 2.700 2.346 2.142 2.611 . 0 0 "[ . 1 . ]" 1
377 1 20 CYS HA 1 21 GLY HA2 4.000 . 6.000 4.373 4.340 4.436 . 0 0 "[ . 1 . ]" 1
378 1 20 CYS HB2 1 21 GLY H 3.400 . 4.800 4.048 3.493 4.468 . 0 0 "[ . 1 . ]" 1
379 1 20 CYS HB3 1 21 GLY H 3.900 . 5.800 3.136 2.017 3.877 . 0 0 "[ . 1 . ]" 1
380 1 20 CYS HB3 1 21 GLY HA2 3.600 . 5.200 4.566 4.276 4.962 . 0 0 "[ . 1 . ]" 1
381 1 21 GLY H 1 21 GLY HA2 2.700 . 3.600 2.927 2.825 2.957 . 0 0 "[ . 1 . ]" 1
382 1 21 GLY H 1 21 GLY HA3 2.600 . 3.400 2.392 2.296 2.487 . 0 0 "[ . 1 . ]" 1
383 1 21 GLY H 1 22 ARG H 4.100 . 6.000 4.476 4.129 4.587 . 0 0 "[ . 1 . ]" 1
384 1 21 GLY H 1 23 ARG H 4.500 . 6.000 4.641 3.993 5.080 . 0 0 "[ . 1 . ]" 1
385 1 21 GLY H 1 24 GLY H 4.000 . 6.000 3.712 3.258 4.298 . 0 0 "[ . 1 . ]" 1
386 1 21 GLY H 1 24 GLY HA2 4.600 . 6.000 4.173 3.331 4.979 . 0 0 "[ . 1 . ]" 1
387 1 21 GLY H 1 25 ARG H 3.000 . 4.100 3.461 2.344 4.103 0.003 1 0 "[ . 1 . ]" 1
388 1 21 GLY H 1 25 ARG HA 4.600 . 6.000 4.391 4.065 4.807 . 0 0 "[ . 1 . ]" 1
389 1 21 GLY H 1 26 CYS H 4.300 . 6.000 4.523 3.962 5.097 . 0 0 "[ . 1 . ]" 1
390 1 21 GLY HA2 1 22 ARG H 2.500 . 3.300 2.558 2.306 2.976 . 0 0 "[ . 1 . ]" 1
391 1 21 GLY HA2 1 23 ARG H 4.700 . 6.000 4.228 3.814 5.051 . 0 0 "[ . 1 . ]" 1
392 1 21 GLY HA2 1 24 GLY H 4.800 . 6.000 4.662 4.399 4.880 . 0 0 "[ . 1 . ]" 1
393 1 21 GLY HA2 1 25 ARG H 4.800 . 6.000 5.119 4.245 5.610 . 0 0 "[ . 1 . ]" 1
394 1 21 GLY HA3 1 22 ARG H 2.300 . 3.000 2.573 2.226 2.851 . 0 0 "[ . 1 . ]" 1
395 1 21 GLY HA3 1 22 ARG QB 5.500 . 6.000 4.761 4.260 5.052 . 0 0 "[ . 1 . ]" 1
396 1 21 GLY HA3 1 23 ARG H 4.500 . 6.000 3.188 2.936 3.815 . 0 0 "[ . 1 . ]" 1
397 1 21 GLY HA3 1 25 ARG H 4.400 . 6.000 3.551 2.828 4.092 . 0 0 "[ . 1 . ]" 1
398 1 21 GLY HA3 1 25 ARG HA 4.400 . 6.000 5.465 5.117 5.705 . 0 0 "[ . 1 . ]" 1
399 1 21 GLY HA3 1 25 ARG HB3 4.400 . 6.000 5.332 4.496 6.151 0.151 17 0 "[ . 1 . ]" 1
400 1 21 GLY HA3 1 25 ARG QG 4.000 . 6.000 5.673 4.834 6.032 0.032 7 0 "[ . 1 . ]" 1
401 1 21 GLY HA3 1 26 CYS HA 4.000 . 6.000 4.627 3.806 5.353 . 0 0 "[ . 1 . ]" 1
402 1 22 ARG H 1 22 ARG HA 2.600 . 3.500 2.869 2.822 2.901 . 0 0 "[ . 1 . ]" 1
403 1 22 ARG H 1 22 ARG QB 2.300 . 3.000 2.481 2.135 2.776 . 0 0 "[ . 1 . ]" 1
404 1 22 ARG H 1 22 ARG QD 4.200 . 6.000 3.752 2.721 4.653 . 0 0 "[ . 1 . ]" 1
405 1 22 ARG H 1 22 ARG QG 2.600 . 3.500 2.378 1.747 3.404 . 0 0 "[ . 1 . ]" 1
406 1 22 ARG H 1 23 ARG H 2.700 . 3.600 2.481 2.343 2.616 . 0 0 "[ . 1 . ]" 1
407 1 22 ARG H 1 24 GLY H 4.100 . 6.000 3.961 3.437 4.183 . 0 0 "[ . 1 . ]" 1
408 1 22 ARG H 1 25 ARG H 5.200 . 6.000 5.043 4.114 5.580 . 0 0 "[ . 1 . ]" 1
409 1 22 ARG HA 1 22 ARG QB 2.400 . 3.100 2.310 2.172 2.503 . 0 0 "[ . 1 . ]" 1
410 1 22 ARG HA 1 22 ARG QD 4.200 . 6.000 3.988 2.392 4.561 . 0 0 "[ . 1 . ]" 1
411 1 22 ARG HA 1 22 ARG QG 3.000 . 4.100 2.809 2.085 3.367 . 0 0 "[ . 1 . ]" 1
412 1 22 ARG QB 1 22 ARG QD 3.300 . 4.600 2.191 1.967 2.687 0.033 16 0 "[ . 1 . ]" 1
413 1 22 ARG QB 1 23 ARG H 3.300 . 4.700 3.305 2.578 3.895 . 0 0 "[ . 1 . ]" 1
414 1 23 ARG H 1 23 ARG HA 2.700 . 3.600 2.909 2.879 2.945 . 0 0 "[ . 1 . ]" 1
415 1 23 ARG H 1 23 ARG HB2 2.400 . 3.100 2.466 2.117 3.657 0.557 14 2 "[ - 1 +. ]" 1
416 1 23 ARG H 1 23 ARG HB3 3.500 . 5.100 3.098 2.591 3.507 . 0 0 "[ . 1 . ]" 1
417 1 23 ARG H 1 24 GLY H 2.500 . 3.300 2.296 1.820 2.607 . 0 0 "[ . 1 . ]" 1
418 1 23 ARG H 1 25 ARG H 3.800 . 5.600 3.497 3.183 3.682 . 0 0 "[ . 1 . ]" 1
419 1 23 ARG HA 1 23 ARG HB3 2.800 . 3.800 2.817 2.412 3.017 . 0 0 "[ . 1 . ]" 1
420 1 23 ARG HA 1 23 ARG QG 3.200 . 4.500 2.330 2.045 3.354 . 0 0 "[ . 1 . ]" 1
421 1 23 ARG HB2 1 23 ARG HE 5.300 . 6.000 4.303 2.560 4.972 . 0 0 "[ . 1 . ]" 1
422 1 23 ARG HB2 1 24 GLY H 3.900 . 5.800 3.752 3.216 4.334 . 0 0 "[ . 1 . ]" 1
423 1 23 ARG HB2 1 25 ARG H 4.100 . 6.000 4.013 3.184 4.798 . 0 0 "[ . 1 . ]" 1
424 1 23 ARG HB3 1 23 ARG QD 3.200 . 4.500 2.512 1.932 3.344 . 0 0 "[ . 1 . ]" 1
425 1 23 ARG HB3 1 23 ARG HE 4.800 . 6.000 4.197 2.596 5.084 . 0 0 "[ . 1 . ]" 1
426 1 23 ARG HB3 1 23 ARG QG 2.900 . 3.900 2.342 2.132 2.524 . 0 0 "[ . 1 . ]" 1
427 1 23 ARG HB3 1 24 GLY H 4.100 . 6.000 3.559 2.743 4.467 . 0 0 "[ . 1 . ]" 1
428 1 23 ARG HB3 1 25 ARG H 4.200 . 6.000 3.471 2.762 5.255 . 0 0 "[ . 1 . ]" 1
429 1 23 ARG HB3 1 25 ARG HB3 5.200 . 6.000 5.385 4.484 6.864 0.864 5 2 "[ + 1 -. ]" 1
430 1 23 ARG HB3 1 25 ARG QG 4.400 . 6.000 4.185 2.578 5.888 . 0 0 "[ . 1 . ]" 1
431 1 24 GLY H 1 24 GLY HA2 2.200 . 2.800 2.440 2.308 2.590 . 0 0 "[ . 1 . ]" 1
432 1 24 GLY H 1 24 GLY HA3 2.600 . 3.500 2.934 2.865 2.957 . 0 0 "[ . 1 . ]" 1
433 1 24 GLY H 1 25 ARG HA 5.100 . 6.000 4.848 4.585 5.177 . 0 0 "[ . 1 . ]" 1
434 1 24 GLY HA2 1 25 ARG H 2.900 . 4.000 3.245 2.821 3.422 . 0 0 "[ . 1 . ]" 1
435 1 24 GLY HA2 1 25 ARG HA 4.500 . 6.000 4.548 4.408 4.678 . 0 0 "[ . 1 . ]" 1
436 1 24 GLY HA3 1 25 ARG H 3.500 . 5.000 3.270 3.092 3.538 . 0 0 "[ . 1 . ]" 1
437 1 24 GLY HA3 1 25 ARG HA 4.600 . 6.000 4.474 4.417 4.562 . 0 0 "[ . 1 . ]" 1
438 1 24 GLY HA3 1 25 ARG HB2 4.400 . 6.000 3.984 3.318 4.655 . 0 0 "[ . 1 . ]" 1
439 1 24 GLY HA3 1 25 ARG QD 4.300 . 6.000 5.040 4.652 5.478 . 0 0 "[ . 1 . ]" 1
440 1 25 ARG H 1 25 ARG HA 2.600 . 3.500 2.933 2.891 2.947 . 0 0 "[ . 1 . ]" 1
441 1 25 ARG H 1 25 ARG HB2 3.200 . 4.500 2.532 2.204 2.850 . 0 0 "[ . 1 . ]" 1
442 1 25 ARG H 1 25 ARG HB2 3.100 . 4.300 2.360 2.170 2.510 . 0 0 "[ . 1 . ]" 1
443 1 25 ARG H 1 25 ARG HB3 3.100 . 4.300 3.503 2.973 3.841 . 0 0 "[ . 1 . ]" 1
444 1 25 ARG H 1 25 ARG QD 5.100 . 6.000 4.170 3.500 4.590 . 0 0 "[ . 1 . ]" 1
445 1 25 ARG H 1 26 CYS H 3.900 . 5.800 4.481 4.246 4.609 . 0 0 "[ . 1 . ]" 1
446 1 25 ARG HA 1 25 ARG HB2 2.900 . 3.900 2.924 2.715 3.024 . 0 0 "[ . 1 . ]" 1
447 1 25 ARG HA 1 25 ARG HB2 2.500 . 3.300 2.372 2.077 2.592 . 0 0 "[ . 1 . ]" 1
448 1 25 ARG HA 1 25 ARG HB3 2.400 . 3.100 2.610 2.361 2.953 . 0 0 "[ . 1 . ]" 1
449 1 25 ARG HA 1 25 ARG QD 3.200 . 4.500 2.752 2.304 3.254 . 0 0 "[ . 1 . ]" 1
450 1 25 ARG HA 1 25 ARG HE 5.500 . 6.000 5.040 4.443 5.635 . 0 0 "[ . 1 . ]" 1
451 1 25 ARG HA 1 26 CYS H 1.900 . 2.300 2.271 2.135 2.406 0.106 6 0 "[ . 1 . ]" 1
452 1 25 ARG HA 1 26 CYS HA 4.400 . 6.000 4.320 4.300 4.370 . 0 0 "[ . 1 . ]" 1
453 1 25 ARG HA 1 26 CYS QB 4.700 . 6.000 4.217 4.055 4.592 . 0 0 "[ . 1 . ]" 1
454 1 25 ARG HB2 1 26 CYS H 3.000 . 4.100 3.581 3.060 4.007 . 0 0 "[ . 1 . ]" 1
455 1 25 ARG HB3 1 25 ARG QD 2.700 . 3.600 2.449 1.914 3.510 0.086 3 0 "[ . 1 . ]" 1
456 1 25 ARG HB3 1 25 ARG HE 3.900 . 5.800 4.242 3.228 5.014 . 0 0 "[ . 1 . ]" 1
457 1 25 ARG HB3 1 26 CYS H 2.800 . 3.800 2.988 2.684 3.454 . 0 0 "[ . 1 . ]" 1
458 1 25 ARG QD 1 25 ARG HE 2.600 . 3.500 2.276 2.192 2.490 . 0 0 "[ . 1 . ]" 1
459 1 25 ARG QD 1 25 ARG QG 3.000 . 4.100 2.050 1.993 2.075 . 0 0 "[ . 1 . ]" 1
460 1 25 ARG QD 1 26 CYS H 4.700 . 5.300 3.860 3.380 4.240 . 0 0 "[ . 1 . ]" 1
461 1 25 ARG HE 1 25 ARG QG 3.700 . 5.400 2.668 2.110 2.868 . 0 0 "[ . 1 . ]" 1
462 1 25 ARG QG 1 26 CYS H 3.800 . 5.600 3.661 1.975 4.616 0.025 7 0 "[ . 1 . ]" 1
463 1 26 CYS H 1 26 CYS HA 2.700 . 3.600 2.831 2.782 2.915 . 0 0 "[ . 1 . ]" 1
464 1 26 CYS H 1 26 CYS QB 2.100 . 2.700 2.218 2.058 2.471 . 0 0 "[ . 1 . ]" 1
465 1 26 CYS HA 1 26 CYS QB 2.400 . 3.100 2.415 2.256 2.540 . 0 0 "[ . 1 . ]" 1
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