NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595100 |
2mw7   |
25302 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mw7
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 347
_Distance_constraint_stats_list.Viol_count 554
_Distance_constraint_stats_list.Viol_total 2679.304
_Distance_constraint_stats_list.Viol_max 0.762
_Distance_constraint_stats_list.Viol_rms 0.0829
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.2418
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 2.431 0.364 5 0 "[ . 1 . 2]"
1 3 GLU 2.935 0.364 5 0 "[ . 1 . 2]"
1 4 CYS 18.108 0.640 17 8 "[ * * 1**-** + 2]"
1 5 GLY 10.882 0.762 8 4 "[ .-*+ 1 . * 2]"
1 6 ASP 2.489 0.688 8 2 "[ . + 1 . - 2]"
1 7 LYS 8.251 0.572 7 3 "[ . + * . -]"
1 8 ASP 4.674 0.362 19 0 "[ . 1 . 2]"
1 9 GLU 3.627 0.593 6 1 "[ .+ 1 . 2]"
1 10 PRO 31.202 0.640 17 8 "[ * * 1**-** + 2]"
1 11 CYS 8.327 0.485 5 0 "[ . 1 . 2]"
1 12 CYS 10.340 0.521 17 1 "[ . 1 . + 2]"
1 13 GLY 10.420 0.601 14 1 "[ . 1 +. 2]"
1 14 ARG 12.667 0.618 18 3 "[ * . 1 . +*2]"
1 15 PRO 0.645 0.078 5 0 "[ . 1 . 2]"
1 16 ASP 0.691 0.078 5 0 "[ . 1 . 2]"
1 17 GLY 0.046 0.033 14 0 "[ . 1 . 2]"
1 18 ALA 6.238 0.502 18 1 "[ . 1 . + 2]"
1 19 LYS 15.550 0.665 2 5 "[-+ . **1 *. 2]"
1 20 VAL 28.176 0.721 18 12 "[** *.*** * * .*-+*2]"
1 21 CYS 2.487 0.680 6 2 "[ .+- 1 . 2]"
1 22 ASN 5.826 0.762 8 4 "[ .*-+ 1 . * 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.596 0.445 1 0 "[ . 1 . 2]"
1 25 TRP 10.899 0.688 8 6 "[ . *+ * *. * -]"
1 26 VAL 6.889 0.634 9 6 "[ - . * +1 * ** 2]"
1 27 CYS 21.419 0.721 18 11 "[* *.-** * * .**+*2]"
1 28 ILE 4.564 0.613 7 5 "[ - . + 1 * ** 2]"
1 29 LEU 5.765 0.561 1 1 "[+ . 1 . 2]"
1 30 THR 1.988 0.280 11 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 4.270 0.665 2 3 "[ + . *-1 . 2]"
1 33 ARG 2.324 0.334 20 0 "[ . 1 . 2]"
1 34 CYS 10.410 0.526 15 2 "[ . 1- + 2]"
1 35 GLU 4.693 0.541 14 1 "[ . 1 +. 2]"
1 36 ASN 1.137 0.277 9 0 "[ . 1 . 2]"
1 37 PRO 1.676 0.634 9 1 "[ . +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 ASP HA 1 2 GLY H . . 4.500 2.335 2.153 3.539 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY HA2 1 3 GLU H . . 4.000 3.339 2.869 3.552 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY HA2 1 3 GLU HB3 . . 5.500 5.594 5.334 5.864 0.364 5 0 "[ . 1 . 2]" 1
4 1 2 GLY HA3 1 3 GLU H . . 4.000 3.130 2.878 3.519 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU HG2 . . 5.500 2.540 1.846 3.450 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU H 1 3 GLU HG3 . . 5.500 3.514 3.057 4.059 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 4 CYS H . . 4.500 4.488 4.352 4.628 0.128 6 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 3 GLU HB3 . . 3.000 2.471 2.413 2.554 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 CYS H . . 3.500 2.598 2.293 2.881 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HB2 1 4 CYS H . . 6.000 2.296 1.870 3.059 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HB3 1 4 CYS H . . 5.000 3.728 3.451 4.125 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HG3 1 4 CYS H . . 6.000 3.726 2.973 4.870 . 0 0 "[ . 1 . 2]" 1
13 1 4 CYS H 1 10 PRO QG . . 6.000 5.678 4.060 6.176 0.176 14 0 "[ . 1 . 2]" 1
14 1 4 CYS HA 1 5 GLY H . . 3.500 2.223 2.179 2.288 . 0 0 "[ . 1 . 2]" 1
15 1 4 CYS HA 1 6 ASP H . . 6.000 3.660 3.441 3.975 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS HA 1 10 PRO QD . . 5.000 4.331 3.756 4.832 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS HA 1 10 PRO QG . . 5.000 3.597 2.841 3.807 . 0 0 "[ . 1 . 2]" 1
18 1 4 CYS HA 1 11 CYS HA . . 5.500 4.010 3.765 4.564 . 0 0 "[ . 1 . 2]" 1
19 1 4 CYS HB2 1 5 GLY H . . 4.500 3.081 2.836 3.702 . 0 0 "[ . 1 . 2]" 1
20 1 4 CYS HB2 1 5 GLY HA3 . . 6.000 4.449 4.160 4.888 . 0 0 "[ . 1 . 2]" 1
21 1 4 CYS HB2 1 10 PRO HA . . 5.300 5.747 5.632 5.854 0.554 2 5 "[ + - 1 * ** 2]" 1
22 1 4 CYS HB2 1 10 PRO HB2 . . 5.860 4.623 4.126 5.046 . 0 0 "[ . 1 . 2]" 1
23 1 4 CYS HB2 1 10 PRO HB3 . . 6.000 6.218 5.803 6.500 0.500 13 1 "[ . 1 + . 2]" 1
24 1 4 CYS HB2 1 10 PRO QG . . 6.000 4.695 4.273 5.077 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HB2 1 12 CYS HA . . 5.000 3.841 3.452 4.185 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HB3 1 5 GLY H . . 5.500 4.144 3.948 4.455 . 0 0 "[ . 1 . 2]" 1
27 1 4 CYS HB3 1 10 PRO HB2 . . 6.000 4.525 3.411 5.063 . 0 0 "[ . 1 . 2]" 1
28 1 4 CYS HB3 1 10 PRO HD2 . . 6.000 6.020 5.132 6.640 0.640 17 2 "[ . 1- . + 2]" 1
29 1 4 CYS HB3 1 10 PRO QG . . 6.000 4.159 3.159 4.543 . 0 0 "[ . 1 . 2]" 1
30 1 4 CYS HB3 1 12 CYS HA . . 5.500 4.383 3.887 4.773 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY H 1 6 ASP H . . 4.500 2.320 2.004 2.517 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY H 1 9 GLU HB3 . . 5.000 3.373 2.674 4.162 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY H 1 9 GLU HG2 . . 6.000 4.445 2.892 6.593 0.593 6 1 "[ .+ 1 . 2]" 1
34 1 5 GLY H 1 10 PRO QG . . 4.800 4.911 4.593 5.179 0.379 8 0 "[ . 1 . 2]" 1
35 1 5 GLY H 1 11 CYS HA . . 5.000 2.935 2.492 3.610 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLY HA2 1 6 ASP H . . 5.000 3.238 2.885 3.442 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLY HA2 1 21 CYS HA . . 4.500 2.195 1.832 2.646 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLY HA2 1 21 CYS HB2 . . 6.000 4.768 4.117 5.108 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLY HA2 1 21 CYS HB3 . . 6.000 3.882 2.829 4.524 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLY HA2 1 22 ASN H . . 4.500 3.632 2.808 4.220 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLY HA2 1 22 ASN QB . . 6.000 5.466 4.516 6.104 0.104 9 0 "[ . 1 . 2]" 1
42 1 5 GLY HA2 1 22 ASN HD21 . . 6.000 5.005 4.088 6.762 0.762 8 4 "[ .-*+ 1 . * 2]" 1
43 1 5 GLY HA2 1 22 ASN HD22 . . 6.000 5.675 4.282 6.632 0.632 7 1 "[ . + 1 . 2]" 1
44 1 5 GLY HA3 1 6 ASP H . . 5.500 3.344 3.200 3.510 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLY HA3 1 11 CYS HA . . 6.000 4.336 3.485 5.574 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLY HA3 1 12 CYS H . . 5.500 4.696 3.965 5.717 0.217 6 0 "[ . 1 . 2]" 1
47 1 5 GLY HA3 1 21 CYS HA . . 4.000 2.657 2.255 3.660 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLY HA3 1 21 CYS HB2 . . 6.000 5.642 5.110 6.680 0.680 6 2 "[ .+- 1 . 2]" 1
49 1 5 GLY HA3 1 21 CYS HB3 . . 6.000 4.845 3.873 6.060 0.060 7 0 "[ . 1 . 2]" 1
50 1 5 GLY HA3 1 22 ASN H . . 4.500 3.405 2.187 4.024 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLY HA3 1 22 ASN QB . . 6.000 4.585 3.887 5.139 . 0 0 "[ . 1 . 2]" 1
52 1 6 ASP H 1 6 ASP HB3 . . 4.000 3.701 3.620 3.879 . 0 0 "[ . 1 . 2]" 1
53 1 6 ASP H 1 9 GLU HB3 . . 5.000 2.436 1.783 3.712 . 0 0 "[ . 1 . 2]" 1
54 1 6 ASP HA 1 22 ASN QB . . 5.500 4.580 3.462 5.373 . 0 0 "[ . 1 . 2]" 1
55 1 6 ASP HA 1 22 ASN HD21 . . 5.500 3.114 2.046 5.407 . 0 0 "[ . 1 . 2]" 1
56 1 6 ASP HA 1 25 TRP HD1 . . 5.000 3.136 2.217 4.507 . 0 0 "[ . 1 . 2]" 1
57 1 6 ASP HA 1 25 TRP HE1 . . 5.000 4.520 3.128 5.688 0.688 8 2 "[ . + 1 . - 2]" 1
58 1 6 ASP HA 1 34 CYS HB3 . . 5.500 4.846 4.306 5.558 0.058 18 0 "[ . 1 . 2]" 1
59 1 7 LYS HA 1 7 LYS HG2 . . 4.000 2.796 2.405 3.880 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS HA 1 7 LYS HG3 . . 4.500 3.507 2.616 3.731 . 0 0 "[ . 1 . 2]" 1
61 1 7 LYS HA 1 8 ASP H . . 3.500 2.162 2.095 2.211 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS HA 1 9 GLU H . . 5.000 3.496 3.231 3.646 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS HA 1 25 TRP HB2 . . 5.000 4.506 3.884 5.286 0.286 5 0 "[ . 1 . 2]" 1
64 1 7 LYS HA 1 25 TRP HD1 . . 6.000 4.616 4.051 5.771 . 0 0 "[ . 1 . 2]" 1
65 1 7 LYS HA 1 25 TRP HE1 . . 5.800 5.254 4.253 6.372 0.572 7 1 "[ . + 1 . 2]" 1
66 1 7 LYS HB2 1 7 LYS HE2 . . 5.500 4.758 3.965 5.579 0.079 20 0 "[ . 1 . 2]" 1
67 1 7 LYS HB2 1 8 ASP H . . 5.500 4.359 4.031 4.475 . 0 0 "[ . 1 . 2]" 1
68 1 7 LYS HB2 1 25 TRP HE1 . . 5.000 3.412 2.768 4.416 . 0 0 "[ . 1 . 2]" 1
69 1 7 LYS HB2 1 25 TRP HZ2 . . 5.280 3.810 2.910 4.846 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS HB2 1 25 TRP HZ3 . . 6.000 5.143 3.541 6.126 0.126 8 0 "[ . 1 . 2]" 1
71 1 7 LYS HB3 1 7 LYS HE2 . . 5.500 4.689 2.839 5.605 0.105 9 0 "[ . 1 . 2]" 1
72 1 7 LYS HB3 1 8 ASP H . . 6.000 4.115 3.910 4.357 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS HB3 1 25 TRP HE1 . . 6.000 4.726 4.010 5.327 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS HD2 1 25 TRP HZ3 . . 6.000 5.417 3.003 6.388 0.388 3 0 "[ . 1 . 2]" 1
75 1 7 LYS HD3 1 35 GLU HA . . 5.500 3.541 2.462 5.266 . 0 0 "[ . 1 . 2]" 1
76 1 7 LYS HE2 1 25 TRP HH2 . . 6.000 5.257 3.768 6.525 0.525 10 2 "[ . + . -]" 1
77 1 7 LYS HE2 1 35 GLU HA . . 6.000 3.619 2.665 5.735 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS HG2 1 8 ASP H . . 5.000 3.608 2.412 4.804 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS HG2 1 35 GLU HA . . 5.500 3.387 1.809 5.438 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS HG3 1 8 ASP H . . 4.500 4.298 2.885 4.862 0.362 19 0 "[ . 1 . 2]" 1
81 1 7 LYS HG3 1 35 GLU HA . . 6.000 4.330 1.823 5.634 . 0 0 "[ . 1 . 2]" 1
82 1 8 ASP H 1 9 GLU H . . 4.000 2.688 2.563 2.773 . 0 0 "[ . 1 . 2]" 1
83 1 8 ASP H 1 34 CYS H . . 5.500 4.653 4.408 4.987 . 0 0 "[ . 1 . 2]" 1
84 1 8 ASP H 1 34 CYS HB3 . . 5.500 5.354 4.938 5.774 0.274 5 0 "[ . 1 . 2]" 1
85 1 8 ASP H 1 35 GLU HA . . 5.500 2.772 2.210 3.269 . 0 0 "[ . 1 . 2]" 1
86 1 8 ASP H 1 36 ASN H . . 5.500 5.059 4.232 5.707 0.207 14 0 "[ . 1 . 2]" 1
87 1 8 ASP HA 1 9 GLU H . . 3.000 2.980 2.848 3.129 0.129 19 0 "[ . 1 . 2]" 1
88 1 8 ASP HA 1 33 ARG HD3 . . 6.000 2.975 1.693 4.865 . 0 0 "[ . 1 . 2]" 1
89 1 8 ASP HA 1 33 ARG HG3 . . 5.500 3.338 2.525 4.002 . 0 0 "[ . 1 . 2]" 1
90 1 8 ASP HA 1 34 CYS H . . 5.500 5.001 4.622 5.393 . 0 0 "[ . 1 . 2]" 1
91 1 8 ASP HB2 1 9 GLU H . . 5.500 4.091 3.929 4.273 . 0 0 "[ . 1 . 2]" 1
92 1 8 ASP HB3 1 9 GLU H . . 5.500 4.474 4.407 4.567 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLU H 1 9 GLU HG2 . . 5.500 4.619 3.046 5.055 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLU H 1 9 GLU HG3 . . 5.000 4.456 3.061 4.736 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLU H 1 10 PRO QD . . 4.500 4.381 4.213 4.475 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLU H 1 33 ARG HA . . 5.500 4.738 4.393 5.139 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 34 CYS H . . 3.500 3.512 3.162 3.863 0.363 19 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 34 CYS HB2 . . 4.500 3.697 3.311 3.902 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU HA 1 10 PRO QD . . 3.500 2.021 1.834 2.264 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU HA 1 10 PRO QG . . 4.500 3.916 3.700 4.159 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLU HA 1 33 ARG HA . . 5.800 5.198 4.852 5.551 . 0 0 "[ . 1 . 2]" 1
102 1 10 PRO HA 1 11 CYS H . . 3.000 2.197 2.151 2.277 . 0 0 "[ . 1 . 2]" 1
103 1 10 PRO HA 1 33 ARG HG2 . . 5.500 4.985 4.445 5.670 0.170 20 0 "[ . 1 . 2]" 1
104 1 10 PRO HA 1 33 ARG HG3 . . 5.500 5.273 4.906 5.834 0.334 20 0 "[ . 1 . 2]" 1
105 1 10 PRO HB2 1 11 CYS H . . 5.000 3.571 3.193 3.917 . 0 0 "[ . 1 . 2]" 1
106 1 10 PRO HB2 1 11 CYS HA . . 6.000 4.783 4.339 4.961 . 0 0 "[ . 1 . 2]" 1
107 1 10 PRO HB3 1 11 CYS H . . 4.500 3.865 3.670 4.068 . 0 0 "[ . 1 . 2]" 1
108 1 10 PRO HB3 1 33 ARG HA . . 6.000 4.301 3.899 4.595 . 0 0 "[ . 1 . 2]" 1
109 1 10 PRO HB3 1 34 CYS H . . 5.800 5.988 5.656 6.326 0.526 15 2 "[ . 1- + 2]" 1
110 1 10 PRO HD2 1 11 CYS H . . 5.500 5.809 5.731 5.879 0.379 18 0 "[ . 1 . 2]" 1
111 1 10 PRO HD3 1 33 ARG HA . . 6.000 4.777 4.451 5.239 . 0 0 "[ . 1 . 2]" 1
112 1 11 CYS H 1 32 SER HB2 . . 5.500 4.421 3.919 5.008 . 0 0 "[ . 1 . 2]" 1
113 1 11 CYS H 1 33 ARG HA . . 4.000 2.255 1.791 2.820 . 0 0 "[ . 1 . 2]" 1
114 1 11 CYS H 1 34 CYS H . . 5.500 3.523 3.139 3.979 . 0 0 "[ . 1 . 2]" 1
115 1 11 CYS HA 1 12 CYS H . . 3.000 2.196 2.166 2.235 . 0 0 "[ . 1 . 2]" 1
116 1 11 CYS HA 1 21 CYS HA . . 5.500 4.605 4.207 4.819 . 0 0 "[ . 1 . 2]" 1
117 1 11 CYS QB 1 12 CYS H . . 4.000 3.205 2.896 3.416 . 0 0 "[ . 1 . 2]" 1
118 1 11 CYS QB 1 19 LYS HA . . 6.000 3.722 3.331 4.394 . 0 0 "[ . 1 . 2]" 1
119 1 11 CYS QB 1 19 LYS HB2 . . 4.500 4.079 3.341 4.800 0.300 11 0 "[ . 1 . 2]" 1
120 1 11 CYS QB 1 19 LYS HB3 . . 5.000 2.625 1.906 3.438 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS QB 1 19 LYS HD2 . . 5.500 4.520 3.369 5.766 0.266 11 0 "[ . 1 . 2]" 1
122 1 11 CYS QB 1 20 VAL H . . 5.000 3.370 3.034 3.678 . 0 0 "[ . 1 . 2]" 1
123 1 11 CYS QB 1 32 SER HA . . 6.000 5.156 4.741 5.731 . 0 0 "[ . 1 . 2]" 1
124 1 11 CYS QB 1 32 SER HB2 . . 6.000 5.821 5.217 6.485 0.485 5 0 "[ . 1 . 2]" 1
125 1 12 CYS H 1 20 VAL H . . 3.500 3.758 3.287 3.955 0.455 11 0 "[ . 1 . 2]" 1
126 1 12 CYS H 1 21 CYS HA . . 5.500 5.361 4.610 5.689 0.189 7 0 "[ . 1 . 2]" 1
127 1 12 CYS HA 1 13 GLY H . . 3.000 2.199 2.099 2.394 . 0 0 "[ . 1 . 2]" 1
128 1 12 CYS HB2 1 13 GLY H . . 5.000 3.537 2.832 4.135 . 0 0 "[ . 1 . 2]" 1
129 1 12 CYS HB2 1 20 VAL H . . 5.500 5.025 4.683 5.307 . 0 0 "[ . 1 . 2]" 1
130 1 12 CYS HB2 1 20 VAL HB . . 6.000 3.949 3.611 4.319 . 0 0 "[ . 1 . 2]" 1
131 1 12 CYS HB2 1 20 VAL MG1 . . 5.000 4.726 4.396 5.259 0.259 1 0 "[ . 1 . 2]" 1
132 1 12 CYS HB3 1 13 GLY H . . 4.500 4.136 3.753 4.442 . 0 0 "[ . 1 . 2]" 1
133 1 12 CYS HB3 1 20 VAL HB . . 6.000 4.531 4.413 4.783 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS HB3 1 20 VAL MG1 . . 5.000 5.147 4.912 5.521 0.521 17 1 "[ . 1 . + 2]" 1
135 1 13 GLY HA2 1 14 ARG H . . 3.000 2.154 2.133 2.200 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLY HA2 1 19 LYS HA . . 3.000 2.456 1.759 2.871 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY HA2 1 19 LYS HG2 . . 5.500 4.357 2.865 5.420 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLY HA3 1 14 ARG H . . 3.000 3.232 3.010 3.363 0.363 13 0 "[ . 1 . 2]" 1
139 1 13 GLY HA3 1 19 LYS HA . . 4.000 3.921 2.978 4.485 0.485 8 0 "[ . 1 . 2]" 1
140 1 13 GLY HA3 1 19 LYS HG2 . . 5.820 4.939 2.829 6.421 0.601 14 1 "[ . 1 +. 2]" 1
141 1 14 ARG H 1 14 ARG HB2 . . 3.500 2.411 2.205 2.653 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG HG2 . . 5.000 2.970 2.163 3.893 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 14 ARG HG3 . . 5.000 3.154 2.120 3.912 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 18 ALA H . . 3.500 3.773 2.985 4.002 0.502 18 1 "[ . 1 . + 2]" 1
145 1 14 ARG H 1 18 ALA MB . . 5.500 3.716 3.360 4.253 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG H 1 19 LYS HA . . 5.500 3.502 2.720 4.028 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG HA 1 14 ARG QD . . 5.000 3.050 2.075 4.253 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG HA 1 15 PRO HD2 . . 4.000 2.609 2.178 3.017 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 15 PRO HD3 . . 3.500 2.376 2.030 2.675 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HB2 1 15 PRO HD2 . . 5.500 3.959 3.469 4.585 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG HB2 1 16 ASP H . . 5.000 3.564 3.050 3.974 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG HB2 1 17 GLY H . . 5.500 3.146 2.278 3.729 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG HB2 1 18 ALA H . . 4.500 2.460 1.944 3.346 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG HB2 1 18 ALA MB . . 5.000 2.405 1.978 3.671 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG HB3 1 15 PRO HA . . 5.500 5.058 4.917 5.219 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG HB3 1 15 PRO HD2 . . 5.000 2.441 2.046 3.237 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG HB3 1 15 PRO HD3 . . 5.500 3.639 3.156 4.238 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG HB3 1 18 ALA H . . 5.000 3.737 2.872 4.972 . 0 0 "[ . 1 . 2]" 1
159 1 14 ARG HB3 1 18 ALA MB . . 6.000 3.549 3.155 5.062 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG QD 1 18 ALA MB . . 6.000 3.469 1.843 4.373 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG QD 1 20 VAL MG2 . . 5.500 2.982 2.187 3.559 . 0 0 "[ . 1 . 2]" 1
162 1 14 ARG HG2 1 18 ALA MB . . 5.500 3.685 2.855 5.492 . 0 0 "[ . 1 . 2]" 1
163 1 14 ARG HG2 1 20 VAL MG1 . . 5.500 5.032 4.417 6.118 0.618 18 3 "[ - . 1 . +*2]" 1
164 1 14 ARG HG3 1 15 PRO HD2 . . 6.000 4.668 4.307 5.069 . 0 0 "[ . 1 . 2]" 1
165 1 14 ARG HG3 1 18 ALA MB . . 6.000 2.853 1.973 4.199 . 0 0 "[ . 1 . 2]" 1
166 1 14 ARG HG3 1 20 VAL MG1 . . 6.000 5.174 4.389 5.792 . 0 0 "[ . 1 . 2]" 1
167 1 14 ARG HG3 1 20 VAL MG2 . . 5.500 2.773 1.948 3.482 . 0 0 "[ . 1 . 2]" 1
168 1 15 PRO HA 1 16 ASP H . . 3.500 3.525 3.425 3.578 0.078 5 0 "[ . 1 . 2]" 1
169 1 15 PRO HB2 1 16 ASP H . . 4.500 3.199 2.490 3.914 . 0 0 "[ . 1 . 2]" 1
170 1 15 PRO HB3 1 16 ASP H . . 5.500 4.222 3.882 4.540 . 0 0 "[ . 1 . 2]" 1
171 1 15 PRO HD2 1 16 ASP H . . 5.000 3.040 2.662 3.539 . 0 0 "[ . 1 . 2]" 1
172 1 15 PRO HG2 1 16 ASP H . . 5.500 3.467 2.596 4.613 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASP H 1 17 GLY H . . 3.500 2.516 2.372 2.681 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASP HA 1 17 GLY H . . 3.500 3.436 3.260 3.533 0.033 14 0 "[ . 1 . 2]" 1
175 1 17 GLY H 1 18 ALA H . . 3.500 2.230 1.949 2.737 . 0 0 "[ . 1 . 2]" 1
176 1 17 GLY HA2 1 18 ALA H . . 4.000 3.250 2.850 3.486 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLY HA3 1 18 ALA H . . 4.500 3.351 3.100 3.571 . 0 0 "[ . 1 . 2]" 1
178 1 18 ALA H 1 18 ALA MB . . 3.500 2.295 2.248 2.458 . 0 0 "[ . 1 . 2]" 1
179 1 18 ALA HA 1 19 LYS H . . 3.000 2.233 2.150 2.397 . 0 0 "[ . 1 . 2]" 1
180 1 18 ALA MB 1 19 LYS H . . 4.000 3.096 2.446 3.553 . 0 0 "[ . 1 . 2]" 1
181 1 18 ALA MB 1 20 VAL MG2 . . 4.500 3.758 2.896 4.443 . 0 0 "[ . 1 . 2]" 1
182 1 19 LYS H 1 19 LYS HB2 . . 4.000 2.525 2.441 2.582 . 0 0 "[ . 1 . 2]" 1
183 1 19 LYS H 1 19 LYS HB3 . . 3.500 3.649 3.587 3.738 0.238 4 0 "[ . 1 . 2]" 1
184 1 19 LYS H 1 19 LYS HD2 . . 5.000 4.897 4.569 5.162 0.162 15 0 "[ . 1 . 2]" 1
185 1 19 LYS HA 1 19 LYS HD3 . . 5.500 3.836 2.167 5.023 . 0 0 "[ . 1 . 2]" 1
186 1 19 LYS HA 1 20 VAL H . . 3.000 2.174 2.136 2.229 . 0 0 "[ . 1 . 2]" 1
187 1 19 LYS HA 1 20 VAL MG2 . . 6.000 3.694 3.490 3.837 . 0 0 "[ . 1 . 2]" 1
188 1 19 LYS HB2 1 20 VAL H . . 5.000 4.310 4.174 4.420 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS HB2 1 29 LEU MD1 . . 5.000 4.922 4.075 5.561 0.561 1 1 "[+ . 1 . 2]" 1
190 1 19 LYS HB3 1 29 LEU MD1 . . 6.000 4.705 3.956 5.743 . 0 0 "[ . 1 . 2]" 1
191 1 19 LYS HD2 1 32 SER HA . . 6.000 5.236 4.563 5.962 . 0 0 "[ . 1 . 2]" 1
192 1 19 LYS HD3 1 32 SER HA . . 6.000 5.571 4.640 6.665 0.665 2 3 "[ + . *-1 . 2]" 1
193 1 19 LYS HE3 1 29 LEU MD1 . . 5.500 4.001 1.997 5.060 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL HA 1 21 CYS H . . 4.000 2.117 2.084 2.165 . 0 0 "[ . 1 . 2]" 1
195 1 20 VAL HA 1 27 CYS HB2 . . 6.000 6.412 5.674 6.721 0.721 18 9 "[* -.** * * . *+*2]" 1
196 1 20 VAL HA 1 27 CYS HB3 . . 6.500 6.918 6.223 7.188 0.688 7 9 "[* .-+* * * .* **2]" 1
197 1 20 VAL HB 1 21 CYS H . . 4.500 4.385 4.283 4.456 . 0 0 "[ . 1 . 2]" 1
198 1 20 VAL MG1 1 21 CYS H . . 5.000 3.196 2.887 3.498 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL MG1 1 21 CYS HA . . 6.000 3.564 3.240 3.873 . 0 0 "[ . 1 . 2]" 1
200 1 21 CYS HA 1 22 ASN H . . 3.500 2.269 2.198 2.341 . 0 0 "[ . 1 . 2]" 1
201 1 21 CYS HB2 1 22 ASN H . . 4.500 4.046 3.866 4.177 . 0 0 "[ . 1 . 2]" 1
202 1 21 CYS HB2 1 25 TRP QB . . 5.500 4.161 3.561 4.727 . 0 0 "[ . 1 . 2]" 1
203 1 21 CYS HB2 1 26 VAL HA . . 5.500 3.319 2.816 3.735 . 0 0 "[ . 1 . 2]" 1
204 1 21 CYS HB2 1 27 CYS H . . 5.000 3.678 3.478 3.952 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS HB2 1 34 CYS HB3 . . 5.500 3.750 3.567 3.996 . 0 0 "[ . 1 . 2]" 1
206 1 21 CYS HB3 1 22 ASN H . . 4.000 3.074 2.834 3.257 . 0 0 "[ . 1 . 2]" 1
207 1 21 CYS HB3 1 25 TRP HB3 . . 5.800 3.925 3.297 4.410 . 0 0 "[ . 1 . 2]" 1
208 1 21 CYS HB3 1 26 VAL HA . . 5.790 3.796 3.265 4.186 . 0 0 "[ . 1 . 2]" 1
209 1 21 CYS HB3 1 34 CYS HB3 . . 5.500 2.275 2.118 2.490 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASN H 1 22 ASN HB2 . . 4.000 3.677 3.610 3.704 . 0 0 "[ . 1 . 2]" 1
211 1 22 ASN H 1 22 ASN HD21 . . 5.500 2.750 2.099 4.609 . 0 0 "[ . 1 . 2]" 1
212 1 22 ASN H 1 22 ASN HD22 . . 5.500 3.636 3.309 4.577 . 0 0 "[ . 1 . 2]" 1
213 1 22 ASN H 1 23 ASP H . . 5.500 4.594 4.477 4.659 . 0 0 "[ . 1 . 2]" 1
214 1 22 ASN H 1 25 TRP QB . . 5.000 3.691 3.432 3.900 . 0 0 "[ . 1 . 2]" 1
215 1 22 ASN H 1 25 TRP HD1 . . 5.500 3.860 3.308 4.145 . 0 0 "[ . 1 . 2]" 1
216 1 22 ASN HA 1 23 ASP H . . 3.500 2.253 2.149 2.324 . 0 0 "[ . 1 . 2]" 1
217 1 22 ASN HA 1 23 ASP QB . . 6.000 4.399 4.306 4.557 . 0 0 "[ . 1 . 2]" 1
218 1 22 ASN QB 1 25 TRP HD1 . . 5.500 4.105 3.418 4.443 . 0 0 "[ . 1 . 2]" 1
219 1 22 ASN QB 1 25 TRP HE1 . . 6.000 5.310 4.659 5.715 . 0 0 "[ . 1 . 2]" 1
220 1 22 ASN HB2 1 22 ASN HD21 . . 3.500 3.250 2.266 3.522 0.022 14 0 "[ . 1 . 2]" 1
221 1 22 ASN HB2 1 22 ASN HD22 . . 4.000 3.953 3.518 4.086 0.086 14 0 "[ . 1 . 2]" 1
222 1 22 ASN HB2 1 23 ASP H . . 4.500 3.044 2.822 3.476 . 0 0 "[ . 1 . 2]" 1
223 1 23 ASP HA 1 24 PRO HA . . 4.000 2.214 1.992 2.475 . 0 0 "[ . 1 . 2]" 1
224 1 23 ASP HA 1 25 TRP H . . 4.000 2.572 2.306 2.910 . 0 0 "[ . 1 . 2]" 1
225 1 23 ASP QB 1 24 PRO HA . . 4.500 2.319 2.097 2.514 . 0 0 "[ . 1 . 2]" 1
226 1 24 PRO HD2 1 25 TRP H . . 6.000 2.878 2.551 3.098 . 0 0 "[ . 1 . 2]" 1
227 1 24 PRO HD2 1 25 TRP HE1 . . 6.000 3.862 3.161 4.764 . 0 0 "[ . 1 . 2]" 1
228 1 24 PRO HD3 1 25 TRP H . . 5.500 4.042 3.800 4.189 . 0 0 "[ . 1 . 2]" 1
229 1 24 PRO HD3 1 25 TRP HE1 . . 5.600 4.971 4.103 6.045 0.445 1 0 "[ . 1 . 2]" 1
230 1 25 TRP H 1 25 TRP HD1 . . 5.500 3.426 2.755 3.922 . 0 0 "[ . 1 . 2]" 1
231 1 25 TRP HA 1 25 TRP HE3 . . 5.500 2.237 1.966 2.805 . 0 0 "[ . 1 . 2]" 1
232 1 25 TRP HA 1 26 VAL H . . 3.500 2.171 2.122 2.273 . 0 0 "[ . 1 . 2]" 1
233 1 25 TRP HA 1 26 VAL MG2 . . 6.000 3.696 3.523 3.879 . 0 0 "[ . 1 . 2]" 1
234 1 25 TRP HA 1 36 ASN HA . . 3.500 3.155 2.900 3.377 . 0 0 "[ . 1 . 2]" 1
235 1 25 TRP HA 1 37 PRO QD . . 5.500 2.796 2.264 3.448 . 0 0 "[ . 1 . 2]" 1
236 1 25 TRP QB 1 26 VAL H . . 4.000 3.217 2.910 3.540 . 0 0 "[ . 1 . 2]" 1
237 1 25 TRP QB 1 35 GLU HA . . 5.500 3.605 2.844 4.199 . 0 0 "[ . 1 . 2]" 1
238 1 25 TRP QB 1 36 ASN HA . . 6.000 4.418 4.039 4.779 . 0 0 "[ . 1 . 2]" 1
239 1 25 TRP HB2 1 34 CYS HB3 . . 5.500 2.716 2.459 3.158 . 0 0 "[ . 1 . 2]" 1
240 1 25 TRP HB2 1 35 GLU H . . 5.000 4.992 4.151 5.541 0.541 14 1 "[ . 1 +. 2]" 1
241 1 25 TRP HB2 1 35 GLU HA . . 6.000 5.379 4.627 6.015 0.015 14 0 "[ . 1 . 2]" 1
242 1 25 TRP HB2 1 36 ASN HA . . 6.000 5.846 5.460 6.085 0.085 5 0 "[ . 1 . 2]" 1
243 1 25 TRP HB3 1 34 CYS HB3 . . 5.500 2.703 2.183 3.251 . 0 0 "[ . 1 . 2]" 1
244 1 25 TRP HB3 1 36 ASN HA . . 6.000 4.576 4.161 4.998 . 0 0 "[ . 1 . 2]" 1
245 1 25 TRP HE3 1 36 ASN HA . . 5.000 2.066 1.860 2.354 . 0 0 "[ . 1 . 2]" 1
246 1 25 TRP HE3 1 37 PRO QD . . 6.000 3.002 2.170 3.668 . 0 0 "[ . 1 . 2]" 1
247 1 25 TRP HH2 1 36 ASN HA . . 5.500 5.185 4.910 5.474 . 0 0 "[ . 1 . 2]" 1
248 1 25 TRP HH2 1 36 ASN HB2 . . 6.000 5.233 4.647 5.515 . 0 0 "[ . 1 . 2]" 1
249 1 25 TRP HH2 1 36 ASN HB3 . . 6.000 4.334 3.986 4.843 . 0 0 "[ . 1 . 2]" 1
250 1 25 TRP HZ3 1 37 PRO QD . . 6.000 3.653 2.815 4.288 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL H 1 26 VAL MG1 . . 4.500 3.262 2.627 3.893 . 0 0 "[ . 1 . 2]" 1
252 1 26 VAL H 1 35 GLU H . . 4.000 3.360 2.779 4.007 0.007 18 0 "[ . 1 . 2]" 1
253 1 26 VAL H 1 36 ASN HA . . 5.000 3.900 3.528 4.165 . 0 0 "[ . 1 . 2]" 1
254 1 26 VAL H 1 37 PRO QD . . 5.500 3.187 2.313 3.998 . 0 0 "[ . 1 . 2]" 1
255 1 26 VAL HA 1 27 CYS H . . 3.000 2.237 2.172 2.324 . 0 0 "[ . 1 . 2]" 1
256 1 26 VAL HB 1 27 CYS H . . 4.000 3.533 2.848 4.273 0.273 20 0 "[ . 1 . 2]" 1
257 1 26 VAL MG1 1 27 CYS H . . 5.000 3.438 2.512 4.038 . 0 0 "[ . 1 . 2]" 1
258 1 26 VAL MG1 1 28 ILE HG13 . . 6.000 5.677 4.022 6.613 0.613 7 5 "[ - . + 1 * ** 2]" 1
259 1 26 VAL MG1 1 35 GLU H . . 5.500 5.199 4.745 5.808 0.308 18 0 "[ . 1 . 2]" 1
260 1 26 VAL MG1 1 37 PRO HA . . 5.000 4.158 2.713 4.886 . 0 0 "[ . 1 . 2]" 1
261 1 26 VAL MG1 1 37 PRO HB2 . . 6.000 4.997 3.712 6.634 0.634 9 1 "[ . +1 . 2]" 1
262 1 26 VAL MG1 1 37 PRO QD . . 5.500 4.258 3.288 5.838 0.338 6 0 "[ . 1 . 2]" 1
263 1 26 VAL MG1 1 37 PRO HD3 . . 6.000 4.428 3.346 6.270 0.270 6 0 "[ . 1 . 2]" 1
264 1 26 VAL MG2 1 27 CYS H . . 4.500 4.009 3.736 4.248 . 0 0 "[ . 1 . 2]" 1
265 1 26 VAL MG2 1 36 ASN HA . . 6.000 4.436 3.884 5.033 . 0 0 "[ . 1 . 2]" 1
266 1 26 VAL MG2 1 37 PRO HA . . 4.500 2.962 1.950 4.484 . 0 0 "[ . 1 . 2]" 1
267 1 26 VAL MG2 1 37 PRO HB2 . . 5.500 4.144 3.489 5.068 . 0 0 "[ . 1 . 2]" 1
268 1 26 VAL MG2 1 37 PRO QD . . 6.000 3.131 2.500 3.970 . 0 0 "[ . 1 . 2]" 1
269 1 26 VAL MG2 1 37 PRO QG . . 6.000 2.866 1.819 4.790 . 0 0 "[ . 1 . 2]" 1
270 1 27 CYS H 1 27 CYS HB2 . . 4.000 2.698 2.619 2.789 . 0 0 "[ . 1 . 2]" 1
271 1 27 CYS H 1 27 CYS HB3 . . 4.000 2.568 2.509 2.634 . 0 0 "[ . 1 . 2]" 1
272 1 27 CYS HA 1 28 ILE H . . 3.000 2.133 2.099 2.163 . 0 0 "[ . 1 . 2]" 1
273 1 27 CYS HA 1 34 CYS HA . . 2.500 1.956 1.787 2.237 . 0 0 "[ . 1 . 2]" 1
274 1 27 CYS HA 1 34 CYS HB2 . . 6.000 4.814 4.590 5.093 . 0 0 "[ . 1 . 2]" 1
275 1 27 CYS HA 1 34 CYS HB3 . . 6.000 4.117 3.825 4.436 . 0 0 "[ . 1 . 2]" 1
276 1 27 CYS HA 1 35 GLU H . . 3.500 3.184 2.626 3.572 0.072 10 0 "[ . 1 . 2]" 1
277 1 27 CYS HB3 1 29 LEU MD1 . . 6.000 4.169 3.438 4.837 . 0 0 "[ . 1 . 2]" 1
278 1 27 CYS HB3 1 34 CYS H . . 5.700 5.783 5.462 6.124 0.424 13 0 "[ . 1 . 2]" 1
279 1 28 ILE H 1 28 ILE HB . . 3.500 2.501 2.376 2.656 . 0 0 "[ . 1 . 2]" 1
280 1 28 ILE H 1 28 ILE MD . . 5.500 2.752 1.817 3.751 . 0 0 "[ . 1 . 2]" 1
281 1 28 ILE H 1 28 ILE HG12 . . 5.000 3.406 2.075 4.207 . 0 0 "[ . 1 . 2]" 1
282 1 28 ILE H 1 28 ILE HG13 . . 5.500 3.393 2.255 3.902 . 0 0 "[ . 1 . 2]" 1
283 1 28 ILE H 1 33 ARG H . . 3.500 3.488 3.263 3.643 0.143 6 0 "[ . 1 . 2]" 1
284 1 28 ILE H 1 34 CYS HA . . 5.000 3.503 3.192 3.952 . 0 0 "[ . 1 . 2]" 1
285 1 28 ILE H 1 35 GLU H . . 5.500 3.535 2.673 4.368 . 0 0 "[ . 1 . 2]" 1
286 1 28 ILE HA 1 28 ILE MD . . 4.500 2.962 2.126 3.905 . 0 0 "[ . 1 . 2]" 1
287 1 28 ILE HA 1 28 ILE HG13 . . 4.500 3.025 2.437 3.890 . 0 0 "[ . 1 . 2]" 1
288 1 28 ILE HA 1 29 LEU H . . 3.000 2.203 2.127 2.341 . 0 0 "[ . 1 . 2]" 1
289 1 28 ILE HB 1 29 LEU H . . 5.500 4.267 3.906 4.431 . 0 0 "[ . 1 . 2]" 1
290 1 28 ILE HB 1 31 SER H . . 5.500 3.249 2.935 3.608 . 0 0 "[ . 1 . 2]" 1
291 1 28 ILE HB 1 33 ARG H . . 5.000 3.841 3.569 4.178 . 0 0 "[ . 1 . 2]" 1
292 1 28 ILE MD 1 29 LEU H . . 5.000 4.657 3.762 5.352 0.352 13 0 "[ . 1 . 2]" 1
293 1 28 ILE MD 1 35 GLU H . . 5.500 3.608 2.491 5.420 . 0 0 "[ . 1 . 2]" 1
294 1 28 ILE MG 1 29 LEU H . . 4.500 2.827 2.312 3.120 . 0 0 "[ . 1 . 2]" 1
295 1 28 ILE MG 1 30 THR HB . . 6.000 2.573 2.089 4.126 . 0 0 "[ . 1 . 2]" 1
296 1 28 ILE MG 1 31 SER H . . 4.000 2.272 1.822 3.022 . 0 0 "[ . 1 . 2]" 1
297 1 28 ILE MG 1 32 SER H . . 5.000 3.859 3.442 4.326 . 0 0 "[ . 1 . 2]" 1
298 1 28 ILE MG 1 33 ARG H . . 5.500 4.716 4.287 5.355 . 0 0 "[ . 1 . 2]" 1
299 1 29 LEU H 1 29 LEU HG . . 5.000 3.976 3.891 4.035 . 0 0 "[ . 1 . 2]" 1
300 1 29 LEU H 1 30 THR H . . 4.000 2.683 2.531 2.784 . 0 0 "[ . 1 . 2]" 1
301 1 29 LEU H 1 31 SER H . . 6.000 4.394 4.182 4.683 . 0 0 "[ . 1 . 2]" 1
302 1 29 LEU HA 1 30 THR H . . 5.000 3.521 3.482 3.553 . 0 0 "[ . 1 . 2]" 1
303 1 29 LEU HA 1 32 SER H . . 4.500 3.306 2.829 3.843 . 0 0 "[ . 1 . 2]" 1
304 1 29 LEU HB2 1 30 THR H . . 5.000 2.906 2.635 3.161 . 0 0 "[ . 1 . 2]" 1
305 1 29 LEU HB3 1 30 THR H . . 4.500 3.712 3.490 3.906 . 0 0 "[ . 1 . 2]" 1
306 1 29 LEU MD1 1 30 THR H . . 5.500 4.784 4.691 4.858 . 0 0 "[ . 1 . 2]" 1
307 1 29 LEU MD2 1 30 THR H . . 4.000 4.082 3.804 4.280 0.280 11 0 "[ . 1 . 2]" 1
308 1 30 THR H 1 30 THR MG . . 4.000 3.624 2.075 3.817 . 0 0 "[ . 1 . 2]" 1
309 1 30 THR H 1 31 SER H . . 4.000 2.707 2.532 2.830 . 0 0 "[ . 1 . 2]" 1
310 1 30 THR H 1 32 SER H . . 5.000 3.718 3.485 3.835 . 0 0 "[ . 1 . 2]" 1
311 1 30 THR HA 1 31 SER H . . 5.000 3.557 3.509 3.599 . 0 0 "[ . 1 . 2]" 1
312 1 30 THR HB 1 31 SER H . . 5.000 2.699 2.318 4.203 . 0 0 "[ . 1 . 2]" 1
313 1 30 THR MG 1 31 SER H . . 6.000 3.561 2.516 4.051 . 0 0 "[ . 1 . 2]" 1
314 1 31 SER H 1 31 SER HB3 . . 4.000 2.787 2.607 2.941 . 0 0 "[ . 1 . 2]" 1
315 1 31 SER H 1 32 SER H . . 3.500 2.283 2.167 2.515 . 0 0 "[ . 1 . 2]" 1
316 1 31 SER H 1 33 ARG H . . 5.500 4.022 3.854 4.417 . 0 0 "[ . 1 . 2]" 1
317 1 31 SER HA 1 32 SER H . . 5.000 3.388 3.309 3.455 . 0 0 "[ . 1 . 2]" 1
318 1 31 SER HB2 1 32 SER H . . 4.500 4.121 3.947 4.266 . 0 0 "[ . 1 . 2]" 1
319 1 31 SER HB2 1 33 ARG HB2 . . 5.500 4.999 4.646 5.261 . 0 0 "[ . 1 . 2]" 1
320 1 31 SER HB2 1 33 ARG HB3 . . 6.000 4.135 3.418 4.622 . 0 0 "[ . 1 . 2]" 1
321 1 31 SER HB2 1 33 ARG HD3 . . 6.000 3.574 2.485 4.393 . 0 0 "[ . 1 . 2]" 1
322 1 31 SER HB3 1 32 SER H . . 4.500 4.246 4.095 4.396 . 0 0 "[ . 1 . 2]" 1
323 1 31 SER HB3 1 33 ARG HG3 . . 5.500 4.771 4.367 5.133 . 0 0 "[ . 1 . 2]" 1
324 1 32 SER H 1 33 ARG H . . 4.000 2.844 2.800 2.942 . 0 0 "[ . 1 . 2]" 1
325 1 32 SER HA 1 33 ARG H . . 4.000 2.863 2.697 3.004 . 0 0 "[ . 1 . 2]" 1
326 1 32 SER HB2 1 33 ARG H . . 6.000 4.543 4.492 4.572 . 0 0 "[ . 1 . 2]" 1
327 1 32 SER HB3 1 33 ARG H . . 5.000 4.690 4.653 4.738 . 0 0 "[ . 1 . 2]" 1
328 1 33 ARG H 1 33 ARG HG2 . . 5.000 2.480 2.354 2.656 . 0 0 "[ . 1 . 2]" 1
329 1 33 ARG HA 1 33 ARG HD3 . . 5.500 4.989 4.831 5.602 0.102 14 0 "[ . 1 . 2]" 1
330 1 33 ARG HA 1 34 CYS H . . 3.000 2.255 2.209 2.309 . 0 0 "[ . 1 . 2]" 1
331 1 33 ARG HB2 1 34 CYS H . . 5.000 2.868 2.623 3.156 . 0 0 "[ . 1 . 2]" 1
332 1 33 ARG HB3 1 34 CYS H . . 4.000 4.030 3.797 4.234 0.234 12 0 "[ . 1 . 2]" 1
333 1 34 CYS H 1 34 CYS HB2 . . 4.000 2.635 2.573 2.739 . 0 0 "[ . 1 . 2]" 1
334 1 34 CYS HA 1 35 GLU H . . 3.000 2.194 2.122 2.326 . 0 0 "[ . 1 . 2]" 1
335 1 34 CYS HB2 1 35 GLU HA . . 6.000 4.826 4.666 5.070 . 0 0 "[ . 1 . 2]" 1
336 1 34 CYS HB3 1 35 GLU H . . 5.000 3.626 3.068 4.120 . 0 0 "[ . 1 . 2]" 1
337 1 34 CYS HB3 1 35 GLU HA . . 5.500 4.938 4.651 5.190 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLU H 1 35 GLU HB3 . . 4.000 3.455 2.530 3.893 . 0 0 "[ . 1 . 2]" 1
339 1 35 GLU HA 1 36 ASN H . . 4.000 2.619 2.450 2.845 . 0 0 "[ . 1 . 2]" 1
340 1 35 GLU HB2 1 36 ASN H . . 5.000 3.261 2.061 4.016 . 0 0 "[ . 1 . 2]" 1
341 1 35 GLU HB3 1 36 ASN H . . 3.500 2.671 1.967 3.777 0.277 9 0 "[ . 1 . 2]" 1
342 1 36 ASN H 1 36 ASN HB2 . . 4.000 3.622 3.571 3.652 . 0 0 "[ . 1 . 2]" 1
343 1 36 ASN H 1 37 PRO QD . . 5.500 4.419 4.284 4.508 . 0 0 "[ . 1 . 2]" 1
344 1 36 ASN HA 1 37 PRO QD . . 5.000 2.031 1.873 2.242 . 0 0 "[ . 1 . 2]" 1
345 1 36 ASN HA 1 37 PRO QG . . 6.000 3.948 3.781 4.152 . 0 0 "[ . 1 . 2]" 1
346 1 36 ASN HB2 1 37 PRO QD . . 6.000 2.773 2.099 3.252 . 0 0 "[ . 1 . 2]" 1
347 1 36 ASN HB3 1 37 PRO QD . . 5.500 3.739 3.505 3.933 . 0 0 "[ . 1 . 2]" 1
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