NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630368 |
6h0i   |
34298 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6h0i
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 578
_Distance_constraint_stats_list.Viol_count 2519
_Distance_constraint_stats_list.Viol_total 9460.122
_Distance_constraint_stats_list.Viol_max 1.973
_Distance_constraint_stats_list.Viol_rms 0.1370
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0409
_Distance_constraint_stats_list.Viol_average_violations_only 0.1878
_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 4 PHE 4.112 0.271 17 0 "[ . 1 . 2]"
1 5 ILE 18.698 0.852 3 7 "[* + . *- 1* .* * 2]"
1 6 GLU 15.889 0.517 9 1 "[ . +1 . 2]"
1 7 ASP 9.437 0.852 3 6 "[ + . -1* ** *]"
1 8 SER 2.320 0.632 15 2 "[ . 1 -+ 2]"
1 9 GLU 0.441 0.088 9 0 "[ . 1 . 2]"
1 11 ILE 5.089 0.691 15 3 "[ .- 1 * + 2]"
1 12 GLN 17.236 0.691 15 14 "[-* *.* *** ***+* **]"
1 13 GLY 5.327 0.610 2 5 "[-+ *. 1 * .* 2]"
1 14 LEU 5.486 0.513 17 2 "[ .- 1 . + 2]"
1 15 LYS 13.245 1.151 12 9 "[ * ** * 1*+ *. -* 2]"
1 16 SER 6.178 0.952 18 1 "[ . 1 . + 2]"
1 17 LEU 9.160 0.970 12 6 "[ . -* 1 + *** 2]"
1 18 ARG 10.872 0.970 12 5 "[ . -* 1 + * * 2]"
1 19 LYS 2.597 0.215 17 0 "[ . 1 . 2]"
1 20 SER 4.776 0.257 17 0 "[ . 1 . 2]"
1 21 HIS 3.394 0.231 2 0 "[ . 1 . 2]"
1 22 THR 9.145 0.353 11 0 "[ . 1 . 2]"
1 23 SER 8.858 0.366 14 0 "[ . 1 . 2]"
1 24 LEU 5.236 0.678 6 3 "[ * -+ 1 . 2]"
1 25 GLU 7.964 0.994 17 6 "[ * -* 1* . + *2]"
1 26 ASP 8.260 0.994 17 3 "[ . 1* . + -2]"
1 27 ASP 5.815 0.312 19 0 "[ . 1 . 2]"
1 28 ASP 9.138 1.000 11 1 "[ . 1+ . 2]"
1 29 ASP 5.042 0.259 3 0 "[ . 1 . 2]"
1 30 GLY 3.593 1.000 11 2 "[ . -1+ . 2]"
1 31 SER 0.217 0.128 9 0 "[ . 1 . 2]"
1 32 ARG 6.645 0.836 9 3 "[ .- +1 *. 2]"
1 33 GLY 4.495 0.826 14 3 "[ .* 1 +. -]"
1 34 GLY 1.055 0.236 9 0 "[ . 1 . 2]"
1 35 ASP 6.005 0.479 1 0 "[ . 1 . 2]"
1 36 CYS 2.800 0.284 4 0 "[ . 1 . 2]"
1 37 GLU 1.044 0.187 17 0 "[ . 1 . 2]"
1 38 GLY 21.688 1.088 7 14 "[**-***+* 1* *** * *]"
1 39 CYS 21.045 1.088 7 14 "[**-***+* 1* *** * *]"
1 40 SER 7.718 0.534 6 1 "[ .+ 1 . 2]"
1 41 GLY 15.120 1.079 8 5 "[ .* + 1 -* * 2]"
1 42 THR 8.805 0.356 14 0 "[ . 1 . 2]"
1 43 ALA 39.592 1.855 14 20 [*************+**-***]
1 44 CYS 11.083 0.418 2 0 "[ . 1 . 2]"
1 45 SER 8.026 0.316 11 0 "[ . 1 . 2]"
1 46 SER 43.974 1.855 14 20 [*************+**-***]
1 47 ASP 29.275 0.768 8 16 "[ * ***+*****-*****2]"
1 48 ALA 20.892 0.768 8 16 "[ * ***+*****-*****2]"
1 49 GLN 22.794 0.901 11 7 "[ * **1+* .- *2]"
1 50 CYS 27.065 0.901 11 16 "[ ********1+** ** -**]"
1 51 ARG 27.315 1.163 20 9 "[ * *.* * 1* * .- * +]"
1 52 ALA 7.722 0.384 8 0 "[ . 1 . 2]"
1 53 ARG 17.948 1.220 19 8 "[-* * *** * +2]"
1 54 GLY 1.804 0.173 2 0 "[ . 1 . 2]"
1 55 CYS 18.350 0.684 10 2 "[- . + . 2]"
1 56 ASP 38.717 1.220 19 10 "[ * ** 1** * **+-]"
1 57 GLY 17.789 0.607 11 2 "[ . 1+ . - 2]"
1 58 CYS 9.206 0.532 14 1 "[ . 1 +. 2]"
1 59 SER 38.102 1.973 5 18 "[ ***+* *********-***]"
1 60 THR 11.949 0.327 13 0 "[ . 1 . 2]"
1 61 SER 29.467 1.446 19 18 "[ ***** *********-*+*]"
1 62 GLY 2.489 0.208 1 0 "[ . 1 . 2]"
1 63 VAL 5.372 0.185 17 0 "[ . 1 . 2]"
1 64 CYS 18.177 0.494 10 0 "[ . 1 . 2]"
1 65 VAL 30.490 1.079 8 17 "[** -.**+********** *]"
1 66 LEU 11.353 0.709 17 3 "[ . 1* . +- 2]"
1 67 SER 31.166 1.973 5 8 "[ +- *** * .* *2]"
1 68 SER 14.073 0.734 8 5 "[ .- + 1 * * *2]"
1 69 LEU 2.049 0.249 20 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 59 SER H 1 63 VAL QG 3.985 2.989 4.981 3.083 2.865 3.337 0.124 3 0 "[ . 1 . 2]" 1
2 1 60 THR H 1 62 GLY H 5.649 4.237 6.884 4.598 4.347 4.924 . 0 0 "[ . 1 . 2]" 1
3 1 44 CYS HB2 1 46 SER H 3.145 2.359 3.931 2.909 2.729 3.177 . 0 0 "[ . 1 . 2]" 1
4 1 60 THR H 1 60 THR HB 4.444 3.333 5.499 3.442 3.181 3.580 0.152 1 0 "[ . 1 . 2]" 1
5 1 26 ASP HA 1 27 ASP H 2.523 . 3.154 2.540 2.138 3.466 0.312 19 0 "[ . 1 . 2]" 1
6 1 47 ASP H 1 48 ALA MB 4.630 3.473 5.787 4.436 4.326 4.488 . 0 0 "[ . 1 . 2]" 1
7 1 15 LYS QG 1 16 SER H 4.862 3.647 6.077 3.871 2.695 4.820 0.952 18 1 "[ . 1 . + 2]" 1
8 1 58 CYS H 1 58 CYS HB2 3.081 2.311 3.851 2.552 2.288 2.925 0.023 3 0 "[ . 1 . 2]" 1
9 1 46 SER H 1 49 GLN HG3 4.269 3.202 5.336 3.920 2.990 5.269 0.212 19 0 "[ . 1 . 2]" 1
10 1 29 ASP HB3 1 30 GLY H 4.095 3.071 5.119 4.108 2.937 4.581 0.134 12 0 "[ . 1 . 2]" 1
11 1 50 CYS H 1 52 ALA H 4.077 3.103 5.096 3.802 3.490 4.125 . 0 0 "[ . 1 . 2]" 1
12 1 46 SER H 1 49 GLN HE22 4.711 3.533 5.889 4.229 3.388 5.646 0.145 18 0 "[ . 1 . 2]" 1
13 1 41 GLY H 1 63 VAL HB 4.503 3.377 5.629 5.007 3.662 5.727 0.098 5 0 "[ . 1 . 2]" 1
14 1 44 CYS H 1 45 SER H 4.647 3.485 5.503 4.342 4.152 4.438 . 0 0 "[ . 1 . 2]" 1
15 1 49 GLN HA 1 50 CYS H 3.577 2.693 4.471 3.487 3.365 3.590 . 0 0 "[ . 1 . 2]" 1
16 1 61 SER H 1 63 VAL MG2 4.525 3.394 5.656 3.353 3.240 3.554 0.154 6 0 "[ . 1 . 2]" 1
17 1 59 SER H 1 63 VAL H 3.453 2.590 4.316 2.759 2.563 3.056 0.027 1 0 "[ . 1 . 2]" 1
18 1 55 CYS HA 1 56 ASP H 3.259 2.444 4.036 3.612 3.563 3.658 . 0 0 "[ . 1 . 2]" 1
19 1 21 HIS HA 1 22 THR H 3.885 2.914 4.856 3.271 3.138 3.547 . 0 0 "[ . 1 . 2]" 1
20 1 50 CYS QB 1 55 CYS H 4.110 3.083 5.137 4.243 3.735 5.053 . 0 0 "[ . 1 . 2]" 1
21 1 56 ASP H 1 58 CYS H 4.634 3.574 5.792 5.865 5.551 6.021 0.229 17 0 "[ . 1 . 2]" 1
22 1 26 ASP HB2 1 27 ASP H 3.012 2.259 3.765 3.444 2.617 3.863 0.098 18 0 "[ . 1 . 2]" 1
23 1 47 ASP H 1 48 ALA H 4.128 3.096 5.126 2.818 2.726 2.888 0.370 20 0 "[ . 1 . 2]" 1
24 1 59 SER H 1 60 THR H 4.457 3.991 5.571 4.584 4.466 4.643 . 0 0 "[ . 1 . 2]" 1
25 1 15 LYS HB2 1 16 SER H 3.835 2.876 4.794 4.048 2.836 4.482 0.040 2 0 "[ . 1 . 2]" 1
26 1 35 ASP QB 1 37 GLU H 4.719 3.539 5.899 4.844 3.962 5.572 . 0 0 "[ . 1 . 2]" 1
27 1 39 CYS H 1 40 SER QB 3.742 2.806 4.678 4.484 3.710 5.055 0.377 5 0 "[ . 1 . 2]" 1
28 1 22 THR HB 1 23 SER H 3.723 2.792 4.654 3.225 2.634 4.264 0.158 18 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 36 CYS QB 3.472 2.604 4.340 2.636 2.320 3.076 0.284 4 0 "[ . 1 . 2]" 1
30 1 50 CYS H 1 58 CYS H 4.753 3.565 5.941 4.998 4.407 5.812 . 0 0 "[ . 1 . 2]" 1
31 1 48 ALA HA 1 50 CYS H 3.912 2.934 4.890 4.191 3.757 4.851 . 0 0 "[ . 1 . 2]" 1
32 1 57 GLY H 1 66 LEU HB3 4.787 3.590 5.984 6.107 5.529 6.591 0.607 11 2 "[ . 1+ . - 2]" 1
33 1 32 ARG HA 1 34 GLY H 4.879 3.659 6.099 4.424 3.594 6.247 0.148 12 0 "[ . 1 . 2]" 1
34 1 44 CYS HB3 1 46 SER H 3.301 2.476 4.126 4.157 3.944 4.360 0.234 14 0 "[ . 1 . 2]" 1
35 1 59 SER H 1 64 CYS HA 3.430 2.573 4.287 3.934 3.303 4.379 0.092 2 0 "[ . 1 . 2]" 1
36 1 12 GLN HB2 1 14 LEU H 4.709 3.532 5.886 5.267 4.779 6.025 0.139 12 0 "[ . 1 . 2]" 1
37 1 48 ALA H 1 49 GLN H 3.564 2.752 4.455 2.717 2.638 2.879 0.114 1 0 "[ . 1 . 2]" 1
38 1 6 GLU HA 1 7 ASP H 2.648 . 3.310 2.963 2.305 3.503 0.193 11 0 "[ . 1 . 2]" 1
39 1 54 GLY H 1 55 CYS HB3 5.430 4.072 6.788 6.080 5.733 6.251 . 0 0 "[ . 1 . 2]" 1
40 1 62 GLY H 1 62 GLY HA2 2.852 2.139 3.565 2.288 2.274 2.309 . 0 0 "[ . 1 . 2]" 1
41 1 18 ARG H 1 18 ARG HA 3.040 2.280 3.800 2.806 2.255 2.941 0.025 16 0 "[ . 1 . 2]" 1
42 1 26 ASP HB3 1 27 ASP H 2.918 2.188 3.648 3.249 2.102 3.956 0.308 20 0 "[ . 1 . 2]" 1
43 1 4 PHE QB 1 5 ILE H 4.609 3.457 5.761 3.738 3.343 4.028 0.114 20 0 "[ . 1 . 2]" 1
44 1 14 LEU HB3 1 16 SER H 4.151 3.113 5.189 4.529 2.830 5.552 0.363 19 0 "[ . 1 . 2]" 1
45 1 25 GLU H 1 25 GLU HB3 3.408 2.556 4.260 3.175 2.538 4.075 0.018 12 0 "[ . 1 . 2]" 1
46 1 35 ASP H 1 35 ASP QB 3.803 2.852 4.348 2.654 2.373 2.901 0.479 1 0 "[ . 1 . 2]" 1
47 1 39 CYS H 1 40 SER H 4.288 3.216 5.360 3.284 2.941 4.200 0.275 7 0 "[ . 1 . 2]" 1
48 1 51 ARG QD 1 52 ALA H 4.821 3.616 6.026 4.376 3.306 4.802 0.310 15 0 "[ . 1 . 2]" 1
49 1 48 ALA HA 1 51 ARG H 3.454 2.590 4.318 3.507 3.103 4.276 . 0 0 "[ . 1 . 2]" 1
50 1 58 CYS HB2 1 59 SER H 4.040 3.030 5.050 4.277 4.040 4.419 . 0 0 "[ . 1 . 2]" 1
51 1 34 GLY QA 1 35 ASP H 3.367 2.525 3.921 2.650 2.289 2.924 0.236 9 0 "[ . 1 . 2]" 1
52 1 5 ILE MG 1 8 SER H 4.361 3.271 5.451 5.051 4.097 5.539 0.088 1 0 "[ . 1 . 2]" 1
53 1 14 LEU H 1 15 LYS QB 4.360 3.270 5.450 4.826 4.255 5.508 0.058 1 0 "[ . 1 . 2]" 1
54 1 66 LEU H 1 66 LEU HB3 3.156 2.367 3.945 2.789 2.332 3.610 0.035 15 0 "[ . 1 . 2]" 1
55 1 62 GLY H 1 62 GLY HA3 2.797 2.098 3.496 2.820 2.768 2.872 . 0 0 "[ . 1 . 2]" 1
56 1 12 GLN H 1 13 GLY HA3 4.003 3.002 5.004 4.847 4.698 5.011 0.007 4 0 "[ . 1 . 2]" 1
57 1 17 LEU H 1 18 ARG HB2 3.926 2.944 4.908 4.734 4.213 5.878 0.970 12 2 "[ . - 1 + . 2]" 1
58 1 57 GLY H 1 65 VAL HB 4.693 3.520 5.866 5.662 5.440 5.908 0.042 18 0 "[ . 1 . 2]" 1
59 1 18 ARG H 1 18 ARG QG 3.243 2.432 4.054 3.454 2.257 4.169 0.175 3 0 "[ . 1 . 2]" 1
60 1 5 ILE H 1 5 ILE HA 3.848 2.886 4.810 2.787 2.338 2.902 0.548 7 3 "[ . +- 1 . * 2]" 1
61 1 42 THR HA 1 43 ALA H 2.572 . 3.215 2.223 2.132 2.409 . 0 0 "[ . 1 . 2]" 1
62 1 37 GLU H 1 38 GLY QA 3.575 2.681 4.469 4.066 3.629 4.394 . 0 0 "[ . 1 . 2]" 1
63 1 49 GLN HA 1 49 GLN HE22 4.718 3.539 5.897 5.663 4.767 5.975 0.078 11 0 "[ . 1 . 2]" 1
64 1 51 ARG H 1 52 ALA H 3.201 2.401 3.897 2.819 2.372 3.141 0.029 20 0 "[ . 1 . 2]" 1
65 1 61 SER H 1 61 SER QB 3.196 2.397 3.995 2.540 2.299 3.059 0.098 8 0 "[ . 1 . 2]" 1
66 1 49 GLN HG2 1 52 ALA H 4.837 3.628 6.046 5.961 5.653 6.430 0.384 8 0 "[ . 1 . 2]" 1
67 1 58 CYS H 1 65 VAL H 5.989 4.492 7.486 4.941 4.687 5.175 . 0 0 "[ . 1 . 2]" 1
68 1 47 ASP H 1 49 GLN H 5.425 4.069 6.781 4.396 4.212 4.666 . 0 0 "[ . 1 . 2]" 1
69 1 37 GLU H 1 37 GLU HB3 3.349 2.512 4.186 3.255 2.584 3.827 . 0 0 "[ . 1 . 2]" 1
70 1 21 HIS HB3 1 22 THR H 4.808 3.606 6.010 4.166 3.577 4.442 0.029 1 0 "[ . 1 . 2]" 1
71 1 14 LEU H 1 14 LEU HB3 2.882 2.162 3.602 3.549 2.373 4.115 0.513 17 2 "[ .- 1 . + 2]" 1
72 1 12 GLN HB2 1 13 GLY H 3.747 2.810 4.684 3.466 2.618 4.359 0.192 1 0 "[ . 1 . 2]" 1
73 1 54 GLY H 1 55 CYS H 3.176 2.382 3.939 2.608 2.338 2.975 0.044 15 0 "[ . 1 . 2]" 1
74 1 49 GLN HA 1 51 ARG H 4.364 3.273 5.455 4.587 4.190 5.106 . 0 0 "[ . 1 . 2]" 1
75 1 18 ARG H 1 19 LYS H 3.577 2.683 4.471 3.684 2.657 4.568 0.097 12 0 "[ . 1 . 2]" 1
76 1 35 ASP H 1 35 ASP HA 3.732 2.799 4.595 2.909 2.769 2.949 0.030 19 0 "[ . 1 . 2]" 1
77 1 50 CYS HA 1 53 ARG H 3.753 2.815 4.691 2.994 2.680 3.421 0.135 8 0 "[ . 1 . 2]" 1
78 1 24 LEU MD1 1 25 GLU H 4.013 3.010 4.979 4.578 3.318 5.657 0.678 6 3 "[ * -+ 1 . 2]" 1
79 1 61 SER HA 1 63 VAL H 4.699 3.524 5.874 4.958 4.528 5.364 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE HA 1 14 LEU H 4.315 3.236 5.394 3.654 3.176 4.477 0.060 8 0 "[ . 1 . 2]" 1
81 1 49 GLN H 1 51 ARG H 4.363 3.272 5.454 3.877 3.651 4.208 . 0 0 "[ . 1 . 2]" 1
82 1 45 SER H 1 46 SER H 2.756 2.210 3.445 2.178 2.117 2.261 0.093 6 0 "[ . 1 . 2]" 1
83 1 59 SER H 1 62 GLY H 4.207 3.336 5.259 4.103 3.387 4.544 . 0 0 "[ . 1 . 2]" 1
84 1 49 GLN H 1 49 GLN HA 2.993 2.245 3.741 2.863 2.833 2.882 . 0 0 "[ . 1 . 2]" 1
85 1 60 THR MG 1 61 SER H 4.226 3.169 5.283 4.374 4.117 4.533 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU QG 1 8 SER H 4.602 3.451 5.753 4.967 3.420 5.717 0.031 9 0 "[ . 1 . 2]" 1
87 1 48 ALA MB 1 52 ALA H 3.808 2.856 4.760 4.155 3.768 4.532 . 0 0 "[ . 1 . 2]" 1
88 1 51 ARG QD 1 54 GLY H 5.536 4.152 6.920 5.381 4.284 6.370 . 0 0 "[ . 1 . 2]" 1
89 1 50 CYS H 1 51 ARG HA 4.644 3.539 5.805 4.928 4.808 5.039 . 0 0 "[ . 1 . 2]" 1
90 1 42 THR H 1 64 CYS H 4.143 3.107 4.915 3.365 3.054 4.026 0.053 9 0 "[ . 1 . 2]" 1
91 1 42 THR HA 1 44 CYS H 4.690 3.517 5.840 5.825 5.601 5.926 0.086 6 0 "[ . 1 . 2]" 1
92 1 51 ARG QD 1 53 ARG H 4.395 3.296 5.494 5.379 5.094 5.503 0.009 20 0 "[ . 1 . 2]" 1
93 1 42 THR HA 1 64 CYS H 5.220 3.915 6.525 4.958 4.680 5.329 . 0 0 "[ . 1 . 2]" 1
94 1 44 CYS HA 1 49 GLN HE21 4.235 3.176 5.294 4.686 3.796 5.425 0.131 17 0 "[ . 1 . 2]" 1
95 1 50 CYS H 1 51 ARG H 3.054 2.327 3.761 2.285 2.212 2.394 0.115 17 0 "[ . 1 . 2]" 1
96 1 53 ARG H 1 54 GLY H 3.067 2.300 3.789 2.536 2.322 2.844 . 0 0 "[ . 1 . 2]" 1
97 1 59 SER H 1 67 SER HA 3.528 2.646 4.410 4.646 4.435 6.383 1.973 5 1 "[ + 1 . 2]" 1
98 1 66 LEU H 1 67 SER H 4.604 3.453 5.689 4.234 4.014 4.516 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE MG 1 7 ASP H 4.024 3.018 5.030 4.117 2.937 5.251 0.221 16 0 "[ . 1 . 2]" 1
100 1 52 ALA H 1 53 ARG H 3.278 2.458 3.869 2.472 2.355 2.593 0.103 8 0 "[ . 1 . 2]" 1
101 1 54 GLY H 1 54 GLY HA2 3.194 2.396 3.992 2.327 2.300 2.434 0.096 20 0 "[ . 1 . 2]" 1
102 1 38 GLY QA 1 39 CYS H 3.885 3.195 4.856 2.439 2.107 2.876 1.088 7 14 "[**-***+* 1* *** * *]" 1
103 1 7 ASP HA 1 8 SER H 2.695 2.021 3.369 3.223 2.925 3.443 0.074 16 0 "[ . 1 . 2]" 1
104 1 61 SER H 1 62 GLY H 3.300 2.475 3.963 2.541 2.384 2.841 0.091 10 0 "[ . 1 . 2]" 1
105 1 12 GLN H 1 12 GLN HB2 2.958 2.274 3.697 2.562 2.347 3.643 . 0 0 "[ . 1 . 2]" 1
106 1 53 ARG H 1 55 CYS HB2 4.635 3.476 5.794 4.599 4.342 5.396 . 0 0 "[ . 1 . 2]" 1
107 1 57 GLY H 1 65 VAL H 3.819 2.864 4.598 2.968 2.748 3.242 0.116 15 0 "[ . 1 . 2]" 1
108 1 30 GLY H 1 30 GLY HA2 2.880 2.232 3.600 2.849 2.769 2.910 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLU HB2 1 7 ASP H 3.244 2.433 4.055 4.078 3.195 4.572 0.517 9 1 "[ . +1 . 2]" 1
110 1 6 GLU HB3 1 8 SER H 4.333 3.250 5.416 4.643 3.531 5.472 0.056 3 0 "[ . 1 . 2]" 1
111 1 68 SER H 1 69 LEU H 4.477 3.767 5.596 3.817 3.518 4.257 0.249 20 0 "[ . 1 . 2]" 1
112 1 45 SER H 1 49 GLN HE21 4.269 3.245 5.336 4.880 4.154 5.470 0.134 17 0 "[ . 1 . 2]" 1
113 1 49 GLN H 1 50 CYS H 3.043 2.282 3.804 2.433 2.277 2.668 0.005 1 0 "[ . 1 . 2]" 1
114 1 67 SER H 1 68 SER H 4.309 3.599 5.386 4.585 4.389 4.740 . 0 0 "[ . 1 . 2]" 1
115 1 50 CYS H 1 56 ASP H 5.519 4.139 6.899 5.583 5.092 5.971 . 0 0 "[ . 1 . 2]" 1
116 1 45 SER H 1 49 GLN HG2 4.411 3.308 5.514 4.822 4.001 5.830 0.316 11 0 "[ . 1 . 2]" 1
117 1 11 ILE H 1 11 ILE HG12 3.160 2.370 3.950 3.038 2.004 3.921 0.366 12 0 "[ . 1 . 2]" 1
118 1 54 GLY H 1 54 GLY HA3 3.043 2.282 3.804 2.881 2.828 2.950 . 0 0 "[ . 1 . 2]" 1
119 1 66 LEU HA 1 67 SER H 3.159 2.369 3.949 2.231 2.165 2.283 0.204 17 0 "[ . 1 . 2]" 1
120 1 44 CYS H 1 63 VAL MG1 3.530 2.648 4.412 4.329 3.962 4.560 0.148 17 0 "[ . 1 . 2]" 1
121 1 51 ARG H 1 52 ALA HA 4.624 3.468 5.780 5.385 5.043 5.590 . 0 0 "[ . 1 . 2]" 1
122 1 35 ASP HA 1 36 CYS H 3.316 2.508 4.145 2.954 2.416 3.552 0.092 20 0 "[ . 1 . 2]" 1
123 1 43 ALA HA 1 44 CYS H 2.555 2.041 3.194 2.034 1.986 2.123 0.055 14 0 "[ . 1 . 2]" 1
124 1 59 SER HA 1 61 SER H 4.261 3.196 5.326 4.283 3.960 4.585 . 0 0 "[ . 1 . 2]" 1
125 1 49 GLN H 1 49 GLN HE21 4.253 3.190 5.316 4.552 3.341 5.161 . 0 0 "[ . 1 . 2]" 1
126 1 58 CYS H 1 65 VAL QG 4.881 4.415 6.101 4.905 4.284 5.420 0.131 8 0 "[ . 1 . 2]" 1
127 1 57 GLY HA3 1 59 SER H 4.479 3.359 5.599 5.668 5.434 5.803 0.204 1 0 "[ . 1 . 2]" 1
128 1 46 SER HA 1 48 ALA H 3.975 2.981 4.969 4.089 3.799 4.413 . 0 0 "[ . 1 . 2]" 1
129 1 39 CYS H 1 64 CYS HB3 4.102 3.077 5.127 4.671 3.756 5.434 0.307 17 0 "[ . 1 . 2]" 1
130 1 61 SER HA 1 62 GLY H 3.535 2.651 4.419 3.123 2.993 3.290 . 0 0 "[ . 1 . 2]" 1
131 1 52 ALA MB 1 53 ARG H 3.283 2.462 4.104 2.978 2.767 3.157 . 0 0 "[ . 1 . 2]" 1
132 1 7 ASP H 1 7 ASP HB2 3.310 2.482 4.138 2.925 2.397 3.667 0.085 9 0 "[ . 1 . 2]" 1
133 1 41 GLY H 1 63 VAL HA 5.351 4.013 6.689 6.401 5.235 6.832 0.143 19 0 "[ . 1 . 2]" 1
134 1 54 GLY H 1 55 CYS HB2 4.716 3.537 5.895 4.667 4.323 4.879 . 0 0 "[ . 1 . 2]" 1
135 1 53 ARG H 1 53 ARG HB3 3.330 2.498 4.162 2.908 2.488 3.657 0.010 2 0 "[ . 1 . 2]" 1
136 1 45 SER HA 1 62 GLY H 4.446 3.335 5.557 5.578 5.018 5.765 0.208 1 0 "[ . 1 . 2]" 1
137 1 67 SER H 1 67 SER HA 3.890 2.917 4.863 2.775 2.713 2.908 0.204 11 0 "[ . 1 . 2]" 1
138 1 33 GLY QA 1 34 GLY H 2.642 . 3.303 2.533 2.106 2.924 . 0 0 "[ . 1 . 2]" 1
139 1 51 ARG HA 1 58 CYS H 5.196 3.897 6.495 6.295 5.109 6.685 0.190 5 0 "[ . 1 . 2]" 1
140 1 7 ASP H 1 33 GLY QA 4.234 3.175 5.293 4.214 2.629 5.183 0.546 20 1 "[ . 1 . +]" 1
141 1 62 GLY H 1 63 VAL H 2.923 2.252 3.654 2.702 2.497 2.879 . 0 0 "[ . 1 . 2]" 1
142 1 46 SER H 1 49 GLN HG2 3.653 2.740 4.566 3.700 2.922 4.799 0.233 11 0 "[ . 1 . 2]" 1
143 1 59 SER H 1 65 VAL QG 3.755 2.816 4.565 2.900 2.525 3.603 0.291 17 0 "[ . 1 . 2]" 1
144 1 61 SER H 1 61 SER HA 3.442 2.582 4.302 2.891 2.853 2.922 . 0 0 "[ . 1 . 2]" 1
145 1 56 ASP HB3 1 67 SER H 3.957 2.968 4.946 2.960 2.862 3.256 0.106 16 0 "[ . 1 . 2]" 1
146 1 28 ASP HB3 1 30 GLY H 4.160 3.120 5.200 4.408 2.901 6.200 1.000 11 1 "[ . 1+ . 2]" 1
147 1 58 CYS HB3 1 59 SER H 4.009 3.007 5.011 3.800 3.181 4.291 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLY HA3 1 14 LEU H 2.827 2.120 3.534 3.211 2.789 3.555 0.021 12 0 "[ . 1 . 2]" 1
149 1 47 ASP H 1 58 CYS HB3 4.685 3.514 5.856 4.113 2.982 5.052 0.532 14 1 "[ . 1 +. 2]" 1
150 1 51 ARG H 1 51 ARG QD 4.225 3.169 5.281 3.403 2.006 4.447 1.163 20 2 "[ . 1 . - +]" 1
151 1 69 LEU H 1 69 LEU HB3 3.275 2.456 4.094 3.308 2.449 3.865 0.007 9 0 "[ . 1 . 2]" 1
152 1 6 GLU H 1 6 GLU HA 3.350 2.513 4.187 2.761 2.287 2.962 0.226 8 0 "[ . 1 . 2]" 1
153 1 11 ILE H 1 12 GLN HB2 4.568 3.426 5.710 4.889 4.330 6.401 0.691 15 2 "[ .- 1 + 2]" 1
154 1 50 CYS H 1 50 CYS HA 3.218 2.434 4.023 2.916 2.878 2.952 . 0 0 "[ . 1 . 2]" 1
155 1 67 SER H 1 67 SER QB 3.893 2.920 4.818 2.658 2.357 2.859 0.563 9 3 "[ . +- .* 2]" 1
156 1 62 GLY H 1 63 VAL HA 4.427 3.320 5.534 5.297 5.124 5.433 . 0 0 "[ . 1 . 2]" 1
157 1 59 SER H 1 65 VAL H 4.131 3.098 5.164 4.153 3.634 4.608 . 0 0 "[ . 1 . 2]" 1
158 1 57 GLY QA 1 58 CYS H 2.982 2.236 3.728 2.181 2.097 2.230 0.139 7 0 "[ . 1 . 2]" 1
159 1 32 ARG H 1 32 ARG QG 3.509 2.632 4.386 2.941 2.429 4.312 0.203 3 0 "[ . 1 . 2]" 1
160 1 56 ASP H 1 56 ASP HB3 3.491 2.618 4.161 3.306 3.006 4.098 . 0 0 "[ . 1 . 2]" 1
161 1 62 GLY HA2 1 64 CYS H 5.224 3.918 6.530 6.322 6.123 6.486 . 0 0 "[ . 1 . 2]" 1
162 1 47 ASP H 1 47 ASP HB3 3.213 2.410 4.016 2.833 2.336 3.585 0.074 4 0 "[ . 1 . 2]" 1
163 1 51 ARG H 1 53 ARG H 4.560 3.497 5.700 3.744 3.493 3.957 0.004 18 0 "[ . 1 . 2]" 1
164 1 44 CYS H 1 62 GLY HA3 4.107 3.080 5.134 4.105 3.608 4.957 . 0 0 "[ . 1 . 2]" 1
165 1 46 SER H 1 48 ALA MB 4.941 3.706 6.176 5.818 5.399 6.340 0.164 18 0 "[ . 1 . 2]" 1
166 1 46 SER HA 1 47 ASP H 3.112 2.334 3.890 2.198 2.140 2.252 0.194 17 0 "[ . 1 . 2]" 1
167 1 46 SER HA 1 49 GLN H 4.673 3.505 5.390 4.975 4.811 5.324 . 0 0 "[ . 1 . 2]" 1
168 1 47 ASP HA 1 50 CYS H 3.675 2.756 4.594 3.568 3.107 4.210 . 0 0 "[ . 1 . 2]" 1
169 1 48 ALA HA 1 52 ALA H 3.978 2.983 4.973 3.612 3.010 4.126 . 0 0 "[ . 1 . 2]" 1
170 1 21 HIS HA 1 23 SER H 3.853 2.890 4.816 3.835 3.146 4.630 . 0 0 "[ . 1 . 2]" 1
171 1 4 PHE H 1 6 GLU H 3.449 2.587 4.311 4.277 2.571 4.582 0.271 17 0 "[ . 1 . 2]" 1
172 1 15 LYS H 1 15 LYS QG 3.798 2.849 4.747 2.837 1.698 4.158 1.151 12 9 "[ * ** * 1*+ *. -* 2]" 1
173 1 30 GLY H 1 30 GLY HA3 3.059 2.294 3.705 2.304 2.285 2.341 0.009 17 0 "[ . 1 . 2]" 1
174 1 48 ALA H 1 49 GLN HG2 5.108 3.831 6.385 4.616 4.014 5.540 . 0 0 "[ . 1 . 2]" 1
175 1 52 ALA H 1 55 CYS H 4.423 3.616 5.529 5.545 5.164 5.699 0.170 18 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 12 GLN H 3.020 2.265 3.771 2.528 2.227 2.764 0.038 16 0 "[ . 1 . 2]" 1
177 1 60 THR H 1 60 THR HA 3.835 2.876 4.794 2.753 2.716 2.814 0.160 7 0 "[ . 1 . 2]" 1
178 1 66 LEU HB3 1 67 SER H 3.841 2.881 4.801 4.279 3.523 4.552 . 0 0 "[ . 1 . 2]" 1
179 1 46 SER QB 1 49 GLN H 3.912 2.934 4.890 3.251 2.889 3.782 0.045 6 0 "[ . 1 . 2]" 1
180 1 46 SER HA 1 50 CYS H 5.030 3.773 6.287 6.398 6.290 6.512 0.225 17 0 "[ . 1 . 2]" 1
181 1 51 ARG HA 1 52 ALA H 3.723 2.792 4.654 3.555 3.486 3.614 . 0 0 "[ . 1 . 2]" 1
182 1 37 GLU H 1 38 GLY H 3.706 2.779 4.633 2.852 2.592 3.435 0.187 17 0 "[ . 1 . 2]" 1
183 1 55 CYS HA 1 57 GLY H 4.241 3.181 5.301 5.436 5.060 5.686 0.385 11 0 "[ . 1 . 2]" 1
184 1 53 ARG H 1 53 ARG QD 4.239 3.179 5.299 4.289 3.708 4.814 . 0 0 "[ . 1 . 2]" 1
185 1 43 ALA H 1 43 ALA MB 2.619 . 3.274 2.343 2.250 2.495 . 0 0 "[ . 1 . 2]" 1
186 1 4 PHE H 1 4 PHE HB2 3.611 2.708 4.494 3.076 2.649 3.938 0.059 6 0 "[ . 1 . 2]" 1
187 1 41 GLY H 1 64 CYS HB2 5.185 3.889 6.481 5.701 4.048 6.685 0.204 3 0 "[ . 1 . 2]" 1
188 1 64 CYS H 1 65 VAL H 4.005 3.434 5.006 4.308 4.232 4.460 . 0 0 "[ . 1 . 2]" 1
189 1 58 CYS H 1 58 CYS HB3 3.309 2.482 4.136 3.001 2.416 3.782 0.066 14 0 "[ . 1 . 2]" 1
190 1 11 ILE H 1 11 ILE HB 2.854 2.141 3.567 2.617 2.431 3.627 0.060 6 0 "[ . 1 . 2]" 1
191 1 15 LYS H 1 15 LYS HB2 3.207 2.405 4.009 3.007 2.465 3.803 . 0 0 "[ . 1 . 2]" 1
192 1 63 VAL H 1 64 CYS H 3.704 3.649 4.630 4.464 4.412 4.514 . 0 0 "[ . 1 . 2]" 1
193 1 49 GLN H 1 49 GLN HG3 3.135 2.351 3.919 2.915 2.160 3.567 0.191 5 0 "[ . 1 . 2]" 1
194 1 35 ASP QB 1 36 CYS H 4.331 3.299 5.414 3.601 3.057 4.043 0.242 11 0 "[ . 1 . 2]" 1
195 1 43 ALA H 1 63 VAL HA 4.792 3.594 5.603 4.602 4.466 4.786 . 0 0 "[ . 1 . 2]" 1
196 1 8 SER H 1 8 SER HB2 3.250 2.438 4.062 2.727 2.410 3.597 0.028 2 0 "[ . 1 . 2]" 1
197 1 42 THR H 1 43 ALA H 4.306 3.229 5.301 4.429 4.124 4.622 . 0 0 "[ . 1 . 2]" 1
198 1 56 ASP H 1 57 GLY H 3.502 2.627 3.945 2.541 2.431 2.671 0.196 2 0 "[ . 1 . 2]" 1
199 1 49 GLN HE21 1 49 GLN HG3 3.629 2.722 4.536 3.241 2.377 3.518 0.345 7 0 "[ . 1 . 2]" 1
200 1 46 SER H 1 47 ASP H 4.878 3.659 5.691 4.420 4.331 4.473 . 0 0 "[ . 1 . 2]" 1
201 1 62 GLY H 1 63 VAL HB 5.219 3.914 6.524 6.331 6.051 6.533 0.009 5 0 "[ . 1 . 2]" 1
202 1 17 LEU H 1 17 LEU HB2 2.806 2.104 3.508 2.634 2.316 3.558 0.050 15 0 "[ . 1 . 2]" 1
203 1 65 VAL QG 1 66 LEU H 3.897 2.923 4.371 2.842 2.214 3.076 0.709 17 1 "[ . 1 . + 2]" 1
204 1 61 SER H 1 63 VAL H 4.338 3.254 5.195 3.622 3.240 4.071 0.014 18 0 "[ . 1 . 2]" 1
205 1 14 LEU H 1 15 LYS H 3.148 2.399 3.935 2.942 2.427 3.956 0.021 1 0 "[ . 1 . 2]" 1
206 1 22 THR HA 1 23 SER H 2.963 2.222 3.704 3.481 3.074 3.658 . 0 0 "[ . 1 . 2]" 1
207 1 53 ARG HB3 1 54 GLY H 4.473 3.355 5.591 3.673 3.182 4.230 0.173 2 0 "[ . 1 . 2]" 1
208 1 49 GLN H 1 49 GLN HG2 2.950 2.213 3.687 2.538 2.035 3.413 0.178 3 0 "[ . 1 . 2]" 1
209 1 55 CYS H 1 55 CYS HB2 3.318 2.489 4.147 2.429 2.336 2.740 0.153 1 0 "[ . 1 . 2]" 1
210 1 32 ARG QG 1 33 GLY H 4.459 3.344 5.574 3.952 3.311 4.870 0.033 2 0 "[ . 1 . 2]" 1
211 1 4 PHE HB3 1 5 ILE H 4.329 3.247 5.411 4.192 3.492 4.637 . 0 0 "[ . 1 . 2]" 1
212 1 60 THR H 1 61 SER HB3 5.395 4.046 6.744 5.825 5.267 6.739 . 0 0 "[ . 1 . 2]" 1
213 1 35 ASP H 1 36 CYS QB 4.758 3.569 5.947 4.697 3.692 5.950 0.003 8 0 "[ . 1 . 2]" 1
214 1 5 ILE H 1 6 GLU HA 4.081 3.061 5.101 4.965 3.996 5.352 0.251 2 0 "[ . 1 . 2]" 1
215 1 53 ARG QD 1 54 GLY H 5.573 4.180 6.966 5.108 4.679 5.987 . 0 0 "[ . 1 . 2]" 1
216 1 56 ASP HA 1 67 SER H 4.291 3.218 5.364 5.186 4.776 5.475 0.111 14 0 "[ . 1 . 2]" 1
217 1 61 SER H 1 65 VAL QG 5.135 4.208 6.419 4.981 4.384 5.578 . 0 0 "[ . 1 . 2]" 1
218 1 37 GLU H 1 37 GLU QG 3.635 2.726 4.544 3.879 2.700 4.517 0.026 12 0 "[ . 1 . 2]" 1
219 1 39 CYS H 1 64 CYS HB2 4.318 3.239 5.397 5.429 4.809 5.839 0.442 11 0 "[ . 1 . 2]" 1
220 1 53 ARG HB2 1 54 GLY H 3.997 2.998 4.996 4.095 3.399 4.495 . 0 0 "[ . 1 . 2]" 1
221 1 56 ASP H 1 65 VAL H 4.429 3.322 5.536 4.539 4.080 5.119 . 0 0 "[ . 1 . 2]" 1
222 1 49 GLN H 1 53 ARG H 4.376 3.282 5.470 5.631 5.579 5.680 0.210 19 0 "[ . 1 . 2]" 1
223 1 45 SER H 1 49 GLN HG3 5.055 3.791 6.319 4.739 3.625 5.524 0.166 7 0 "[ . 1 . 2]" 1
224 1 46 SER HB3 1 47 ASP H 3.362 2.521 4.203 2.649 2.541 2.768 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU QB 1 25 GLU H 3.293 2.470 4.116 3.280 2.382 3.993 0.088 20 0 "[ . 1 . 2]" 1
226 1 45 SER H 1 49 GLN H 5.239 3.929 6.549 6.245 5.969 6.609 0.060 17 0 "[ . 1 . 2]" 1
227 1 56 ASP HB2 1 67 SER H 4.326 3.245 5.407 4.313 3.774 4.629 . 0 0 "[ . 1 . 2]" 1
228 1 51 ARG QB 1 52 ALA H 3.296 2.647 4.120 2.455 2.323 2.807 0.324 12 0 "[ . 1 . 2]" 1
229 1 11 ILE HA 1 12 GLN H 2.900 2.175 3.625 3.453 3.210 3.545 . 0 0 "[ . 1 . 2]" 1
230 1 6 GLU HB3 1 7 ASP H 3.616 2.712 4.520 3.846 2.407 4.428 0.305 11 0 "[ . 1 . 2]" 1
231 1 26 ASP H 1 26 ASP HB3 3.025 2.269 3.781 3.301 2.547 4.027 0.246 18 0 "[ . 1 . 2]" 1
232 1 67 SER HA 1 69 LEU H 4.868 3.651 6.085 4.942 4.191 5.776 . 0 0 "[ . 1 . 2]" 1
233 1 4 PHE H 1 5 ILE H 3.412 2.559 4.265 3.155 2.392 4.415 0.167 5 0 "[ . 1 . 2]" 1
234 1 38 GLY H 1 38 GLY QA 3.267 2.530 4.084 2.321 2.227 2.479 0.303 7 0 "[ . 1 . 2]" 1
235 1 11 ILE MG 1 12 GLN H 3.547 2.660 4.413 3.752 3.324 4.228 . 0 0 "[ . 1 . 2]" 1
236 1 49 GLN HA 1 49 GLN HE21 4.611 3.458 5.764 4.276 3.857 4.980 . 0 0 "[ . 1 . 2]" 1
237 1 52 ALA MB 1 54 GLY H 4.495 3.371 5.619 4.265 4.130 4.426 . 0 0 "[ . 1 . 2]" 1
238 1 44 CYS H 1 63 VAL H 4.555 3.419 5.694 3.981 3.568 4.454 . 0 0 "[ . 1 . 2]" 1
239 1 53 ARG HB2 1 55 CYS H 4.109 3.082 5.136 3.844 2.398 4.699 0.684 10 2 "[- . + . 2]" 1
240 1 37 GLU H 1 37 GLU HA 3.088 2.316 3.860 2.808 2.269 2.948 0.047 2 0 "[ . 1 . 2]" 1
241 1 51 ARG H 1 51 ARG QB 3.123 2.527 3.904 2.345 2.125 2.619 0.402 8 0 "[ . 1 . 2]" 1
242 1 47 ASP H 1 48 ALA HA 3.689 2.767 4.611 5.247 5.061 5.379 0.768 8 16 "[ * ***+*****-*****2]" 1
243 1 60 THR HB 1 62 GLY H 5.027 3.770 6.284 5.069 4.785 5.478 . 0 0 "[ . 1 . 2]" 1
244 1 5 ILE QG 1 7 ASP H 4.318 3.238 5.398 4.165 2.386 5.249 0.852 3 2 "[ + . 1- . 2]" 1
245 1 53 ARG H 1 54 GLY HA3 4.359 3.269 5.449 5.158 5.018 5.317 . 0 0 "[ . 1 . 2]" 1
246 1 25 GLU QG 1 26 ASP H 4.128 3.096 5.160 3.996 3.069 4.839 0.027 14 0 "[ . 1 . 2]" 1
247 1 65 VAL H 1 65 VAL HB 3.820 2.865 4.775 3.925 3.424 4.010 . 0 0 "[ . 1 . 2]" 1
248 1 37 GLU QG 1 38 GLY H 4.789 3.592 5.919 4.292 3.945 4.719 . 0 0 "[ . 1 . 2]" 1
249 1 11 ILE HG13 1 12 GLN H 3.898 2.924 4.872 4.501 3.763 5.528 0.656 12 1 "[ . 1 + . 2]" 1
250 1 60 THR MG 1 62 GLY H 5.244 3.933 6.555 5.115 4.717 5.406 . 0 0 "[ . 1 . 2]" 1
251 1 26 ASP H 1 26 ASP HB2 3.198 2.398 3.998 3.191 2.365 4.008 0.033 14 0 "[ . 1 . 2]" 1
252 1 12 GLN H 1 13 GLY H 3.244 2.433 4.055 2.546 2.396 2.694 0.037 12 0 "[ . 1 . 2]" 1
253 1 25 GLU H 1 26 ASP HB2 4.423 3.317 5.529 5.185 3.953 6.523 0.994 17 3 "[ . 1* . + -2]" 1
254 1 5 ILE H 1 5 ILE HB 3.384 2.538 4.230 2.973 2.373 4.028 0.165 12 0 "[ . 1 . 2]" 1
255 1 55 CYS H 1 56 ASP H 4.677 3.508 5.661 3.320 3.267 3.415 0.241 7 0 "[ . 1 . 2]" 1
256 1 4 PHE H 1 4 PHE HB3 3.652 2.785 4.565 3.246 2.648 3.815 0.137 7 0 "[ . 1 . 2]" 1
257 1 54 GLY HA2 1 55 CYS H 3.889 2.917 4.861 3.296 3.102 3.518 . 0 0 "[ . 1 . 2]" 1
258 1 51 ARG HA 1 55 CYS H 3.630 2.722 4.538 4.381 3.659 4.702 0.164 7 0 "[ . 1 . 2]" 1
259 1 19 LYS HA 1 20 SER H 2.967 2.225 3.709 2.931 2.217 3.494 0.008 19 0 "[ . 1 . 2]" 1
260 1 51 ARG HA 1 54 GLY H 3.846 2.884 4.808 3.872 3.523 4.361 . 0 0 "[ . 1 . 2]" 1
261 1 26 ASP H 1 26 ASP HA 3.018 2.264 3.772 2.769 2.238 2.947 0.026 18 0 "[ . 1 . 2]" 1
262 1 37 GLU HB2 1 38 GLY H 4.442 3.410 5.552 4.450 3.612 4.661 . 0 0 "[ . 1 . 2]" 1
263 1 25 GLU HB3 1 26 ASP H 3.569 2.677 4.461 4.116 2.432 4.457 0.245 18 0 "[ . 1 . 2]" 1
264 1 19 LYS H 1 19 LYS QG 3.889 2.917 4.861 3.378 2.768 4.412 0.149 19 0 "[ . 1 . 2]" 1
265 1 18 ARG H 1 18 ARG HB3 3.271 2.453 4.089 2.997 2.427 3.811 0.026 18 0 "[ . 1 . 2]" 1
266 1 12 GLN HA 1 12 GLN HE22 4.518 3.389 5.647 4.879 3.302 6.076 0.429 2 0 "[ . 1 . 2]" 1
267 1 38 GLY H 1 40 SER H 4.115 3.086 5.144 4.869 3.713 5.391 0.247 16 0 "[ . 1 . 2]" 1
268 1 56 ASP H 1 65 VAL QG 4.154 3.115 5.193 5.435 5.100 5.920 0.727 6 4 "[ .+ 1 . ** -]" 1
269 1 65 VAL QG 1 67 SER H 4.059 3.044 5.074 3.066 2.736 3.967 0.308 16 0 "[ . 1 . 2]" 1
270 1 5 ILE H 1 5 ILE QG 4.283 3.212 5.354 3.572 2.594 4.173 0.618 1 3 "[+ . 1- .* 2]" 1
271 1 60 THR HA 1 61 SER H 3.706 2.780 4.632 3.465 3.275 3.583 . 0 0 "[ . 1 . 2]" 1
272 1 59 SER H 1 59 SER HA 3.294 2.470 4.118 2.917 2.886 2.952 . 0 0 "[ . 1 . 2]" 1
273 1 48 ALA MB 1 49 GLN H 3.012 2.259 3.765 2.952 2.749 3.099 . 0 0 "[ . 1 . 2]" 1
274 1 53 ARG HA 1 55 CYS H 4.821 3.616 6.026 4.147 3.882 4.648 . 0 0 "[ . 1 . 2]" 1
275 1 20 SER H 1 20 SER QB 3.508 2.631 4.385 2.746 2.374 3.358 0.257 17 0 "[ . 1 . 2]" 1
276 1 53 ARG HA 1 54 GLY H 3.833 2.875 4.791 3.248 2.960 3.402 . 0 0 "[ . 1 . 2]" 1
277 1 27 ASP H 1 27 ASP QB 2.982 2.236 3.728 2.355 2.263 2.518 . 0 0 "[ . 1 . 2]" 1
278 1 25 GLU HB2 1 26 ASP H 3.694 2.770 4.618 4.278 3.206 4.617 . 0 0 "[ . 1 . 2]" 1
279 1 44 CYS H 1 46 SER H 5.053 3.855 6.316 5.490 5.236 5.769 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLN HB3 1 12 GLN HE22 5.097 3.823 6.371 4.461 3.544 5.332 0.279 16 0 "[ . 1 . 2]" 1
281 1 14 LEU HA 1 15 LYS H 2.838 2.155 3.547 2.850 2.132 3.556 0.023 6 0 "[ . 1 . 2]" 1
282 1 29 ASP H 1 30 GLY H 3.223 2.417 4.029 2.823 2.397 3.950 0.020 6 0 "[ . 1 . 2]" 1
283 1 25 GLU HA 1 26 ASP H 2.706 2.030 3.382 2.664 2.141 3.554 0.172 18 0 "[ . 1 . 2]" 1
284 1 49 GLN H 1 49 GLN HE21 2.998 2.248 3.748 2.419 2.265 2.623 . 0 0 "[ . 1 . 2]" 1
285 1 68 SER HB3 1 69 LEU H 3.546 2.659 4.433 4.164 2.650 4.601 0.168 12 0 "[ . 1 . 2]" 1
286 1 42 THR H 1 63 VAL QG 4.436 3.327 5.545 4.518 3.607 5.251 . 0 0 "[ . 1 . 2]" 1
287 1 29 ASP HA 1 30 GLY H 3.095 2.424 3.869 2.945 2.224 3.478 0.200 11 0 "[ . 1 . 2]" 1
288 1 19 LYS HB2 1 20 SER H 4.026 3.026 5.033 4.031 2.966 4.643 0.060 16 0 "[ . 1 . 2]" 1
289 1 43 ALA HA 1 46 SER H 4.525 3.394 5.656 7.285 7.110 7.511 1.855 14 20 [*************+**-***] 1
290 1 49 GLN HE21 1 49 GLN HG2 3.714 2.786 4.639 2.944 2.374 3.504 0.412 9 0 "[ . 1 . 2]" 1
291 1 12 GLN HA 1 13 GLY H 2.893 2.170 3.616 3.445 3.142 3.576 . 0 0 "[ . 1 . 2]" 1
292 1 28 ASP H 1 28 ASP HB3 3.112 2.334 3.890 2.911 2.388 3.658 . 0 0 "[ . 1 . 2]" 1
293 1 59 SER HA 1 60 THR H 3.486 2.614 4.358 2.484 2.363 2.596 0.251 10 0 "[ . 1 . 2]" 1
294 1 53 ARG H 1 53 ARG HB2 3.099 2.324 3.874 2.521 2.312 2.724 0.012 4 0 "[ . 1 . 2]" 1
295 1 7 ASP H 1 8 SER HB2 4.336 3.252 5.420 4.940 4.168 6.052 0.632 15 2 "[ . 1 -+ 2]" 1
296 1 45 SER H 1 49 GLN HE22 4.746 3.560 5.680 3.961 3.496 5.829 0.149 7 0 "[ . 1 . 2]" 1
297 1 30 GLY H 1 31 SER H 3.279 2.459 4.099 2.624 2.378 3.123 0.081 12 0 "[ . 1 . 2]" 1
298 1 25 GLU H 1 25 GLU QG 3.384 2.695 4.230 3.631 2.679 4.213 0.016 15 0 "[ . 1 . 2]" 1
299 1 46 SER H 1 46 SER HB3 3.817 2.863 4.771 3.322 2.528 3.763 0.335 11 0 "[ . 1 . 2]" 1
300 1 51 ARG H 1 51 ARG QG 3.107 2.330 3.884 2.911 2.184 3.888 0.146 10 0 "[ . 1 . 2]" 1
301 1 49 GLN H 1 50 CYS HA 4.601 3.451 5.751 5.081 4.950 5.253 . 0 0 "[ . 1 . 2]" 1
302 1 55 CYS H 1 55 CYS HB3 3.713 2.785 4.641 3.617 3.589 3.665 . 0 0 "[ . 1 . 2]" 1
303 1 62 GLY HA2 1 63 VAL H 3.448 2.586 4.310 2.816 2.616 2.939 . 0 0 "[ . 1 . 2]" 1
304 1 69 LEU H 1 69 LEU HA 3.843 2.882 4.804 2.895 2.823 2.950 0.059 8 0 "[ . 1 . 2]" 1
305 1 22 THR H 1 22 THR HB 4.235 3.176 5.294 3.298 2.933 3.532 0.243 1 0 "[ . 1 . 2]" 1
306 1 46 SER H 1 49 GLN HE21 4.192 3.144 5.240 4.538 3.775 5.276 0.036 3 0 "[ . 1 . 2]" 1
307 1 15 LYS H 1 15 LYS QB 3.381 2.536 4.226 2.547 2.291 3.079 0.245 9 0 "[ . 1 . 2]" 1
308 1 19 LYS H 1 19 LYS HB3 3.186 2.389 3.983 3.367 2.467 4.094 0.111 7 0 "[ . 1 . 2]" 1
309 1 42 THR H 1 63 VAL HA 4.276 3.207 5.345 4.564 4.087 5.262 . 0 0 "[ . 1 . 2]" 1
310 1 6 GLU QG 1 7 ASP H 3.984 2.988 4.980 4.428 3.695 4.878 . 0 0 "[ . 1 . 2]" 1
311 1 18 ARG HA 1 19 LYS H 2.757 2.068 3.446 2.592 2.106 3.547 0.101 16 0 "[ . 1 . 2]" 1
312 1 45 SER HB2 1 46 SER H 3.850 2.887 4.813 3.265 2.849 3.885 0.038 3 0 "[ . 1 . 2]" 1
313 1 45 SER HA 1 46 SER H 3.535 2.651 4.419 3.454 3.379 3.511 . 0 0 "[ . 1 . 2]" 1
314 1 40 SER H 1 40 SER QB 3.665 2.749 4.581 2.839 2.215 3.416 0.534 6 1 "[ .+ 1 . 2]" 1
315 1 54 GLY HA3 1 55 CYS H 3.934 2.950 4.918 3.198 2.993 3.389 . 0 0 "[ . 1 . 2]" 1
316 1 67 SER QB 1 69 LEU H 4.210 3.158 5.262 3.843 3.047 4.636 0.111 13 0 "[ . 1 . 2]" 1
317 1 11 ILE HB 1 12 GLN H 3.351 2.566 4.189 3.013 2.581 3.670 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG QG 1 19 LYS H 3.986 2.990 4.982 3.844 2.948 4.513 0.042 17 0 "[ . 1 . 2]" 1
319 1 12 GLN HG2 1 13 GLY H 3.683 2.762 4.604 4.518 2.759 5.214 0.610 2 5 "[-+ *. 1 * .* 2]" 1
320 1 57 GLY H 1 65 VAL QG 4.265 3.199 4.490 3.824 3.445 4.139 . 0 0 "[ . 1 . 2]" 1
321 1 44 CYS H 1 62 GLY HA2 4.245 3.184 5.306 3.635 3.135 4.500 0.049 18 0 "[ . 1 . 2]" 1
322 1 44 CYS HA 1 45 SER H 2.882 2.162 3.602 2.145 2.096 2.189 0.066 15 0 "[ . 1 . 2]" 1
323 1 13 GLY H 1 14 LEU H 3.248 2.455 4.060 2.601 2.344 3.195 0.111 1 0 "[ . 1 . 2]" 1
324 1 63 VAL H 1 63 VAL QG 2.878 2.159 3.597 2.160 2.056 2.269 0.103 17 0 "[ . 1 . 2]" 1
325 1 48 ALA HA 1 49 GLN H 3.495 2.621 4.369 3.439 3.385 3.490 . 0 0 "[ . 1 . 2]" 1
326 1 41 GLY H 1 65 VAL QG 6.085 4.564 7.606 4.602 3.485 5.981 1.079 8 5 "[ .* + 1 -* * 2]" 1
327 1 6 GLU H 1 6 GLU HB2 3.604 2.703 4.505 2.812 2.388 3.604 0.315 7 0 "[ . 1 . 2]" 1
328 1 45 SER H 1 45 SER HB3 3.988 2.991 4.985 3.431 2.955 3.716 0.036 9 0 "[ . 1 . 2]" 1
329 1 64 CYS HA 1 65 VAL H 2.880 2.160 3.600 2.160 2.092 2.249 0.068 13 0 "[ . 1 . 2]" 1
330 1 65 VAL H 1 65 VAL QG 3.187 2.832 3.984 2.348 2.263 2.497 0.569 18 9 "[** . * *-* *.* + 2]" 1
331 1 20 SER H 1 21 HIS HA 3.896 2.922 4.870 4.743 4.445 4.978 0.108 1 0 "[ . 1 . 2]" 1
332 1 51 ARG H 1 54 GLY H 5.378 4.033 6.723 5.150 4.807 5.611 . 0 0 "[ . 1 . 2]" 1
333 1 23 SER HA 1 25 GLU H 4.109 3.239 5.136 4.244 3.212 5.224 0.088 18 0 "[ . 1 . 2]" 1
334 1 12 GLN HE22 1 12 GLN HG3 4.365 3.274 5.456 3.760 3.486 4.075 . 0 0 "[ . 1 . 2]" 1
335 1 48 ALA MB 1 49 GLN HE21 5.570 4.178 6.962 5.613 4.296 6.457 . 0 0 "[ . 1 . 2]" 1
336 1 41 GLY QA 1 42 THR H 4.018 3.013 4.955 2.876 2.761 2.992 0.252 15 0 "[ . 1 . 2]" 1
337 1 44 CYS HB3 1 49 GLN H 4.768 3.669 5.960 5.001 4.439 5.591 . 0 0 "[ . 1 . 2]" 1
338 1 48 ALA H 1 58 CYS H 5.769 4.327 7.211 5.863 5.136 6.170 . 0 0 "[ . 1 . 2]" 1
339 1 6 GLU H 1 6 GLU HB3 3.294 2.470 4.118 3.410 2.478 4.122 0.004 8 0 "[ . 1 . 2]" 1
340 1 41 GLY H 1 64 CYS HB3 5.028 3.771 6.285 5.824 4.768 6.584 0.299 17 0 "[ . 1 . 2]" 1
341 1 44 CYS HB2 1 45 SER H 3.524 2.643 4.405 3.356 3.182 3.479 . 0 0 "[ . 1 . 2]" 1
342 1 5 ILE MG 1 6 GLU H 3.595 2.696 4.494 3.663 2.592 3.994 0.104 2 0 "[ . 1 . 2]" 1
343 1 67 SER HA 1 68 SER H 3.687 2.765 4.609 2.395 2.334 2.609 0.431 17 0 "[ . 1 . 2]" 1
344 1 58 CYS HA 1 65 VAL H 3.722 2.792 4.652 3.407 3.030 3.632 . 0 0 "[ . 1 . 2]" 1
345 1 20 SER H 1 20 SER HA 3.581 2.686 4.476 2.913 2.718 2.953 . 0 0 "[ . 1 . 2]" 1
346 1 57 GLY H 1 64 CYS HA 4.378 3.284 5.472 4.426 4.080 4.627 . 0 0 "[ . 1 . 2]" 1
347 1 59 SER HA 1 63 VAL H 4.508 3.381 5.635 5.009 4.751 5.320 . 0 0 "[ . 1 . 2]" 1
348 1 44 CYS H 1 62 GLY H 4.917 3.688 6.146 5.522 5.065 6.192 0.046 17 0 "[ . 1 . 2]" 1
349 1 62 GLY HA3 1 63 VAL H 3.401 2.551 4.251 3.536 3.455 3.575 . 0 0 "[ . 1 . 2]" 1
350 1 42 THR H 1 64 CYS HB3 3.756 2.817 4.695 4.335 3.339 5.050 0.355 17 0 "[ . 1 . 2]" 1
351 1 44 CYS HA 1 46 SER H 3.228 2.421 4.035 3.371 3.187 3.538 . 0 0 "[ . 1 . 2]" 1
352 1 58 CYS HA 1 63 VAL H 4.284 3.213 5.355 4.112 3.579 4.540 . 0 0 "[ . 1 . 2]" 1
353 1 63 VAL QG 1 65 VAL H 4.712 3.534 5.890 4.247 3.889 4.652 . 0 0 "[ . 1 . 2]" 1
354 1 44 CYS H 1 44 CYS HB3 3.812 2.859 4.765 3.069 2.786 3.371 0.073 14 0 "[ . 1 . 2]" 1
355 1 17 LEU H 1 17 LEU MD1 3.969 2.977 4.961 3.853 2.366 4.343 0.611 16 1 "[ . 1 .+ 2]" 1
356 1 44 CYS HB3 1 45 SER H 3.584 2.688 4.480 4.151 4.029 4.264 . 0 0 "[ . 1 . 2]" 1
357 1 68 SER H 1 68 SER HB3 4.309 3.232 5.386 3.425 2.524 4.002 0.708 15 1 "[ . 1 + 2]" 1
358 1 33 GLY H 1 33 GLY QA 2.736 2.052 3.420 2.353 2.221 2.490 . 0 0 "[ . 1 . 2]" 1
359 1 8 SER H 1 8 SER HB3 3.222 2.417 4.027 3.208 2.471 3.632 . 0 0 "[ . 1 . 2]" 1
360 1 47 ASP HA 1 51 ARG H 4.610 3.458 5.762 4.205 3.697 5.107 . 0 0 "[ . 1 . 2]" 1
361 1 51 ARG HA 1 53 ARG H 4.324 3.243 5.405 4.024 3.748 4.262 . 0 0 "[ . 1 . 2]" 1
362 1 57 GLY H 1 58 CYS H 4.336 3.252 5.420 4.309 4.231 4.354 . 0 0 "[ . 1 . 2]" 1
363 1 56 ASP HA 1 57 GLY H 5.101 3.826 6.376 3.618 3.560 3.650 0.266 17 0 "[ . 1 . 2]" 1
364 1 27 ASP HA 1 28 ASP H 2.488 . 3.110 3.249 3.159 3.394 0.284 4 0 "[ . 1 . 2]" 1
365 1 15 LYS H 1 16 SER H 3.161 2.579 3.951 2.580 2.483 2.833 0.096 7 0 "[ . 1 . 2]" 1
366 1 63 VAL H 1 63 VAL HB 3.858 2.894 4.822 3.824 3.751 3.886 . 0 0 "[ . 1 . 2]" 1
367 1 47 ASP HB2 1 49 GLN H 4.992 3.744 6.240 5.343 4.872 5.826 . 0 0 "[ . 1 . 2]" 1
368 1 42 THR H 1 64 CYS HB2 3.996 2.997 4.995 3.754 3.235 4.625 . 0 0 "[ . 1 . 2]" 1
369 1 22 THR MG 1 23 SER H 4.144 3.108 5.180 4.160 3.802 4.570 . 0 0 "[ . 1 . 2]" 1
370 1 56 ASP H 1 56 ASP HA 3.734 2.801 4.667 2.755 2.599 2.867 0.202 8 0 "[ . 1 . 2]" 1
371 1 43 ALA MB 1 44 CYS H 2.914 2.330 3.643 3.154 3.012 3.394 . 0 0 "[ . 1 . 2]" 1
372 1 59 SER H 1 61 SER H 5.088 3.868 6.360 4.337 3.834 4.943 0.034 1 0 "[ . 1 . 2]" 1
373 1 12 GLN H 1 12 GLN HG3 3.363 2.522 4.204 3.621 2.515 4.366 0.162 7 0 "[ . 1 . 2]" 1
374 1 60 THR H 1 60 THR MG 3.609 2.707 4.511 2.911 2.612 3.587 0.095 10 0 "[ . 1 . 2]" 1
375 1 67 SER QB 1 68 SER H 4.247 3.185 5.309 3.293 2.451 4.046 0.734 8 4 "[ .- + 1 * . *2]" 1
376 1 41 GLY H 1 42 THR H 3.475 2.966 4.344 2.770 2.610 2.920 0.356 14 0 "[ . 1 . 2]" 1
377 1 57 GLY H 1 65 VAL HA 4.116 3.087 5.145 4.571 4.359 4.829 . 0 0 "[ . 1 . 2]" 1
378 1 36 CYS HA 1 38 GLY H 3.282 2.461 4.103 3.985 3.448 4.252 0.149 19 0 "[ . 1 . 2]" 1
379 1 51 ARG QD 1 57 GLY H 4.862 3.646 6.078 4.949 4.297 5.854 . 0 0 "[ . 1 . 2]" 1
380 1 57 GLY H 1 67 SER H 4.133 3.100 5.166 3.275 2.987 3.938 0.113 9 0 "[ . 1 . 2]" 1
381 1 28 ASP H 1 28 ASP HB2 2.957 2.218 3.696 2.598 2.307 3.628 . 0 0 "[ . 1 . 2]" 1
382 1 63 VAL H 1 63 VAL HA 3.369 2.527 4.211 2.940 2.928 2.949 . 0 0 "[ . 1 . 2]" 1
383 1 44 CYS H 1 63 VAL HA 3.144 2.358 3.930 2.726 2.317 3.040 0.041 13 0 "[ . 1 . 2]" 1
384 1 44 CYS HB3 1 49 GLN HE22 5.312 3.984 6.640 5.289 3.955 6.083 0.029 12 0 "[ . 1 . 2]" 1
385 1 60 THR HB 1 61 SER H 4.132 3.099 5.165 3.628 2.997 4.204 0.102 20 0 "[ . 1 . 2]" 1
386 1 62 GLY H 1 63 VAL QG 3.919 2.939 4.899 3.602 3.331 3.814 . 0 0 "[ . 1 . 2]" 1
387 1 12 GLN HE21 1 12 GLN HG3 3.837 2.878 4.796 2.843 2.232 3.511 0.646 2 8 "[ + *. *** *. *-]" 1
388 1 51 ARG QG 1 52 ALA H 3.871 2.903 4.839 3.631 2.738 4.431 0.165 17 0 "[ . 1 . 2]" 1
389 1 60 THR H 1 61 SER H 4.511 3.383 5.298 3.104 3.056 3.138 0.327 13 0 "[ . 1 . 2]" 1
390 1 47 ASP HB3 1 49 GLN H 4.371 3.278 5.464 5.256 4.771 5.832 0.368 4 0 "[ . 1 . 2]" 1
391 1 20 SER HA 1 21 HIS H 4.894 3.671 6.117 3.535 3.440 3.602 0.231 2 0 "[ . 1 . 2]" 1
392 1 41 GLY H 1 63 VAL MG1 4.762 3.571 5.953 5.391 4.138 5.948 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLU H 1 25 GLU HA 3.208 2.406 4.010 2.805 2.272 2.947 0.134 19 0 "[ . 1 . 2]" 1
394 1 53 ARG H 1 55 CYS H 3.945 2.964 4.931 3.619 3.452 3.970 . 0 0 "[ . 1 . 2]" 1
395 1 55 CYS HB3 1 56 ASP H 3.447 2.585 4.095 2.781 2.487 3.436 0.098 11 0 "[ . 1 . 2]" 1
396 1 45 SER H 1 45 SER HA 3.551 2.663 4.439 2.908 2.890 2.927 . 0 0 "[ . 1 . 2]" 1
397 1 65 VAL H 1 65 VAL HA 3.622 2.716 4.528 2.922 2.892 2.934 . 0 0 "[ . 1 . 2]" 1
398 1 19 LYS H 1 19 LYS HB2 3.354 2.515 4.193 2.896 2.366 4.037 0.149 18 0 "[ . 1 . 2]" 1
399 1 53 ARG QD 1 55 CYS H 4.583 3.437 5.729 4.856 4.177 5.615 . 0 0 "[ . 1 . 2]" 1
400 1 7 ASP H 1 7 ASP HB3 3.334 2.500 4.008 2.904 2.459 3.628 0.041 16 0 "[ . 1 . 2]" 1
401 1 42 THR H 1 42 THR HA 3.381 2.536 4.226 2.923 2.844 2.954 . 0 0 "[ . 1 . 2]" 1
402 1 32 ARG H 1 32 ARG HB3 3.681 2.761 4.394 3.327 2.350 3.901 0.411 10 0 "[ . 1 . 2]" 1
403 1 48 ALA MB 1 50 CYS H 4.115 3.086 5.144 4.622 4.325 5.120 . 0 0 "[ . 1 . 2]" 1
404 1 55 CYS HB3 1 65 VAL H 4.308 3.231 5.385 3.938 3.171 4.788 0.060 13 0 "[ . 1 . 2]" 1
405 1 29 ASP QB 1 30 GLY H 3.911 2.933 4.889 3.672 2.874 4.049 0.059 12 0 "[ . 1 . 2]" 1
406 1 45 SER H 1 45 SER HB2 3.912 2.934 4.890 3.055 2.738 3.597 0.196 11 0 "[ . 1 . 2]" 1
407 1 57 GLY HA2 1 65 VAL H 4.678 3.508 5.848 4.790 4.492 5.016 . 0 0 "[ . 1 . 2]" 1
408 1 8 SER H 1 8 SER HA 3.096 2.322 3.870 2.839 2.755 2.897 . 0 0 "[ . 1 . 2]" 1
409 1 44 CYS H 1 64 CYS H 4.216 3.489 5.270 4.069 3.535 4.623 . 0 0 "[ . 1 . 2]" 1
410 1 16 SER QB 1 17 LEU H 3.525 2.644 4.406 3.418 2.621 4.019 0.023 11 0 "[ . 1 . 2]" 1
411 1 43 ALA H 1 64 CYS H 4.429 3.322 5.536 5.068 4.737 5.584 0.048 5 0 "[ . 1 . 2]" 1
412 1 50 CYS QB 1 54 GLY H 5.587 4.190 6.984 5.420 4.941 5.977 . 0 0 "[ . 1 . 2]" 1
413 1 63 VAL H 1 65 VAL QG 4.565 3.424 5.706 3.937 3.486 4.399 . 0 0 "[ . 1 . 2]" 1
414 1 30 GLY HA2 1 32 ARG H 3.666 2.776 4.583 3.484 3.058 5.419 0.836 9 1 "[ . +1 . 2]" 1
415 1 43 ALA H 1 43 ALA HA 3.587 2.690 4.255 2.927 2.872 2.957 . 0 0 "[ . 1 . 2]" 1
416 1 65 VAL HB 1 66 LEU H 3.173 2.380 3.966 2.341 2.193 4.003 0.187 10 0 "[ . 1 . 2]" 1
417 1 64 CYS HB2 1 65 VAL H 3.602 2.702 4.502 4.468 4.121 4.610 0.108 16 0 "[ . 1 . 2]" 1
418 1 51 ARG H 1 56 ASP HA 4.631 3.473 5.789 5.709 4.815 5.945 0.156 10 0 "[ . 1 . 2]" 1
419 1 64 CYS HB3 1 65 VAL H 4.091 3.068 5.114 3.849 3.383 4.287 . 0 0 "[ . 1 . 2]" 1
420 1 43 ALA MB 1 45 SER H 5.120 3.840 6.400 4.825 4.681 5.094 . 0 0 "[ . 1 . 2]" 1
421 1 63 VAL HA 1 64 CYS H 2.887 2.165 3.609 2.414 2.282 2.526 . 0 0 "[ . 1 . 2]" 1
422 1 49 GLN HE22 1 49 GLN HG3 3.455 2.625 4.319 3.944 3.545 4.083 . 0 0 "[ . 1 . 2]" 1
423 1 17 LEU HA 1 18 ARG H 2.654 . 3.318 3.299 2.926 3.484 0.166 5 0 "[ . 1 . 2]" 1
424 1 17 LEU H 1 18 ARG HB3 4.659 3.494 5.824 5.015 4.087 5.848 0.024 20 0 "[ . 1 . 2]" 1
425 1 44 CYS HA 1 47 ASP H 5.388 4.041 6.735 6.989 6.852 7.153 0.418 2 0 "[ . 1 . 2]" 1
426 1 52 ALA H 1 53 ARG HA 4.640 3.480 5.800 5.069 4.975 5.195 . 0 0 "[ . 1 . 2]" 1
427 1 32 ARG HB3 1 33 GLY H 3.987 2.990 4.984 3.701 2.164 4.475 0.826 14 2 "[ .- 1 +. 2]" 1
428 1 51 ARG QG 1 54 GLY H 5.437 4.078 6.796 5.623 4.503 6.339 . 0 0 "[ . 1 . 2]" 1
429 1 13 GLY H 1 13 GLY QA 2.556 . 3.195 2.257 2.190 2.442 . 0 0 "[ . 1 . 2]" 1
430 1 46 SER HB2 1 49 GLN H 3.912 2.934 4.890 3.778 3.039 4.993 0.103 11 0 "[ . 1 . 2]" 1
431 1 50 CYS QB 1 65 VAL H 4.357 3.268 5.446 3.642 2.759 4.331 0.509 4 1 "[ +. 1 . 2]" 1
432 1 22 THR H 1 23 SER H 4.208 3.452 5.260 3.163 3.099 3.269 0.353 11 0 "[ . 1 . 2]" 1
433 1 45 SER HB3 1 46 SER H 4.110 3.082 5.138 4.149 4.048 4.228 . 0 0 "[ . 1 . 2]" 1
434 1 58 CYS HA 1 64 CYS H 4.703 3.527 5.879 5.035 4.733 5.316 . 0 0 "[ . 1 . 2]" 1
435 1 5 ILE HA 1 6 GLU H 2.649 . 3.311 3.102 2.394 3.567 0.256 3 0 "[ . 1 . 2]" 1
436 1 7 ASP HB2 1 8 SER H 3.848 2.886 4.810 4.085 3.128 4.465 . 0 0 "[ . 1 . 2]" 1
437 1 12 GLN H 1 12 GLN HG2 3.422 2.567 4.277 3.595 2.510 4.468 0.191 17 0 "[ . 1 . 2]" 1
438 1 50 CYS HA 1 51 ARG H 3.990 2.993 4.987 3.508 3.469 3.545 . 0 0 "[ . 1 . 2]" 1
439 1 58 CYS H 1 64 CYS HA 4.741 3.556 5.926 4.999 4.545 5.259 . 0 0 "[ . 1 . 2]" 1
440 1 49 GLN H 1 52 ALA MB 4.590 3.443 5.737 4.671 4.246 4.890 . 0 0 "[ . 1 . 2]" 1
441 1 12 GLN HG3 1 13 GLY H 4.372 3.279 5.465 4.716 3.882 5.526 0.061 11 0 "[ . 1 . 2]" 1
442 1 25 GLU H 1 26 ASP H 3.092 2.319 3.865 3.103 2.148 3.911 0.171 18 0 "[ . 1 . 2]" 1
443 1 6 GLU H 1 6 GLU QG 3.748 2.811 4.685 3.474 2.678 4.400 0.133 14 0 "[ . 1 . 2]" 1
444 1 46 SER H 1 46 SER HA 3.322 2.492 4.152 2.933 2.920 2.944 . 0 0 "[ . 1 . 2]" 1
445 1 64 CYS H 1 64 CYS HB2 3.871 2.903 4.839 2.576 2.409 2.756 0.494 10 0 "[ . 1 . 2]" 1
446 1 37 GLU H 1 37 GLU HB2 2.957 2.218 3.696 2.992 2.508 3.422 . 0 0 "[ . 1 . 2]" 1
447 1 59 SER H 1 61 SER HA 4.479 3.359 5.599 6.679 6.049 7.045 1.446 19 18 "[ ***** *********-*+*]" 1
448 1 16 SER H 1 16 SER HA 3.322 2.492 4.152 2.881 2.817 2.938 . 0 0 "[ . 1 . 2]" 1
449 1 63 VAL HB 1 64 CYS H 3.410 2.557 4.263 2.469 2.372 2.568 0.185 17 0 "[ . 1 . 2]" 1
450 1 18 ARG QG 1 20 SER H 4.894 3.670 6.118 4.768 3.591 5.449 0.079 4 0 "[ . 1 . 2]" 1
451 1 11 ILE MG 1 13 GLY H 4.332 3.249 5.415 4.856 4.383 5.375 . 0 0 "[ . 1 . 2]" 1
452 1 44 CYS HA 1 49 GLN H 5.183 3.887 6.479 5.927 5.511 6.225 . 0 0 "[ . 1 . 2]" 1
453 1 58 CYS HA 1 59 SER H 2.748 2.061 3.435 2.192 2.128 2.266 . 0 0 "[ . 1 . 2]" 1
454 1 23 SER H 1 23 SER HB3 3.444 2.583 4.305 3.340 2.614 3.861 . 0 0 "[ . 1 . 2]" 1
455 1 21 HIS HA 1 24 LEU H 4.325 3.244 5.406 4.110 3.149 5.404 0.095 12 0 "[ . 1 . 2]" 1
456 1 44 CYS HA 1 49 GLN HE22 4.511 3.383 5.639 4.047 3.320 5.598 0.063 19 0 "[ . 1 . 2]" 1
457 1 51 ARG H 1 57 GLY H 4.791 3.593 5.989 5.265 4.415 6.020 0.031 5 0 "[ . 1 . 2]" 1
458 1 43 ALA HA 1 59 SER H 4.935 3.701 6.169 6.434 6.366 6.532 0.363 14 0 "[ . 1 . 2]" 1
459 1 7 ASP H 1 7 ASP HA 3.300 2.475 4.125 2.892 2.821 2.947 . 0 0 "[ . 1 . 2]" 1
460 1 47 ASP H 1 58 CYS H 5.202 3.901 6.503 4.936 3.906 5.827 . 0 0 "[ . 1 . 2]" 1
461 1 56 ASP HA 1 58 CYS H 5.519 4.139 6.899 6.841 6.565 6.947 0.048 17 0 "[ . 1 . 2]" 1
462 1 19 LYS HB3 1 20 SER H 4.259 3.194 5.324 4.036 2.979 4.549 0.215 17 0 "[ . 1 . 2]" 1
463 1 15 LYS HA 1 16 SER H 2.930 2.197 3.663 3.230 2.854 3.551 . 0 0 "[ . 1 . 2]" 1
464 1 63 VAL QG 1 64 CYS H 3.682 2.761 4.603 3.166 2.986 3.238 . 0 0 "[ . 1 . 2]" 1
465 1 15 LYS HB3 1 16 SER H 3.709 2.782 4.636 4.027 2.714 4.636 0.068 6 0 "[ . 1 . 2]" 1
466 1 23 SER H 1 23 SER HA 3.595 2.696 4.494 2.875 2.330 2.944 0.366 14 0 "[ . 1 . 2]" 1
467 1 58 CYS H 1 59 SER H 4.437 3.415 5.546 4.469 4.361 4.600 . 0 0 "[ . 1 . 2]" 1
468 1 23 SER HA 1 24 LEU H 2.735 2.051 3.419 3.075 2.132 3.524 0.105 15 0 "[ . 1 . 2]" 1
469 1 58 CYS H 1 58 CYS HA 3.644 2.733 4.555 2.906 2.869 2.941 . 0 0 "[ . 1 . 2]" 1
470 1 57 GLY H 1 66 LEU H 4.756 3.567 5.945 4.907 4.734 5.081 . 0 0 "[ . 1 . 2]" 1
471 1 60 THR H 1 65 VAL QG 5.610 4.208 7.012 5.046 4.615 5.465 . 0 0 "[ . 1 . 2]" 1
472 1 16 SER HB3 1 18 ARG H 4.497 3.373 5.621 5.372 4.750 6.012 0.391 5 0 "[ . 1 . 2]" 1
473 1 43 ALA H 1 63 VAL QG 4.226 3.169 5.283 4.856 4.438 5.088 . 0 0 "[ . 1 . 2]" 1
474 1 57 GLY H 1 57 GLY QA 3.224 2.418 4.030 2.490 2.467 2.513 . 0 0 "[ . 1 . 2]" 1
475 1 5 ILE HB 1 6 GLU H 3.903 2.927 4.879 3.998 2.750 4.616 0.177 11 0 "[ . 1 . 2]" 1
476 1 40 SER QB 1 42 THR H 3.826 2.869 4.783 4.376 4.112 4.867 0.084 14 0 "[ . 1 . 2]" 1
477 1 24 LEU H 1 24 LEU MD1 3.952 2.964 4.940 3.936 2.483 4.541 0.481 17 0 "[ . 1 . 2]" 1
478 1 40 SER QB 1 41 GLY H 3.312 2.484 4.140 2.867 2.061 3.699 0.423 2 0 "[ . 1 . 2]" 1
479 1 21 HIS HB2 1 22 THR H 4.569 3.427 5.711 4.132 3.303 4.518 0.124 1 0 "[ . 1 . 2]" 1
480 1 24 LEU H 1 24 LEU HA 3.242 2.431 4.053 2.792 2.286 2.944 0.145 15 0 "[ . 1 . 2]" 1
481 1 49 GLN H 1 51 ARG QB 5.075 3.806 6.344 4.481 3.967 5.230 . 0 0 "[ . 1 . 2]" 1
482 1 50 CYS H 1 51 ARG QB 4.159 3.407 5.199 4.044 3.590 4.400 . 0 0 "[ . 1 . 2]" 1
483 1 31 SER HA 1 32 ARG H 2.714 2.035 3.393 3.129 2.928 3.521 0.128 9 0 "[ . 1 . 2]" 1
484 1 53 ARG H 1 53 ARG HA 3.359 2.519 4.199 2.876 2.846 2.922 . 0 0 "[ . 1 . 2]" 1
485 1 55 CYS H 1 57 GLY H 5.081 3.811 6.351 5.764 5.585 5.892 . 0 0 "[ . 1 . 2]" 1
486 1 16 SER HA 1 17 LEU H 2.734 2.050 3.418 3.292 2.868 3.520 0.102 11 0 "[ . 1 . 2]" 1
487 1 45 SER H 1 50 CYS H 5.869 4.402 7.336 6.908 6.406 7.264 . 0 0 "[ . 1 . 2]" 1
488 1 52 ALA H 1 52 ALA HA 2.980 2.235 3.725 2.861 2.822 2.900 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU H 1 24 LEU QB 2.742 2.056 3.428 2.661 2.306 3.398 . 0 0 "[ . 1 . 2]" 1
490 1 18 ARG H 1 18 ARG HB2 3.077 2.308 3.846 2.825 2.416 3.815 . 0 0 "[ . 1 . 2]" 1
491 1 4 PHE HB2 1 5 ILE H 4.364 3.273 5.455 4.270 3.536 4.611 . 0 0 "[ . 1 . 2]" 1
492 1 45 SER H 1 46 SER HA 4.409 3.307 5.511 4.889 4.816 4.960 . 0 0 "[ . 1 . 2]" 1
493 1 18 ARG H 1 18 ARG QD 4.267 3.200 5.334 4.460 3.803 5.364 0.030 11 0 "[ . 1 . 2]" 1
494 1 51 ARG QG 1 53 ARG H 4.666 3.500 5.832 5.152 4.285 5.564 . 0 0 "[ . 1 . 2]" 1
495 1 44 CYS HB2 1 58 CYS H 5.352 4.014 6.690 5.535 5.021 6.121 . 0 0 "[ . 1 . 2]" 1
496 1 19 LYS H 1 19 LYS HA 2.757 2.068 3.446 2.772 2.254 2.951 . 0 0 "[ . 1 . 2]" 1
497 1 55 CYS HB3 1 57 GLY H 3.659 2.744 4.574 3.803 3.412 4.290 . 0 0 "[ . 1 . 2]" 1
498 1 50 CYS HA 1 52 ALA H 4.168 3.126 5.210 4.350 4.023 4.661 . 0 0 "[ . 1 . 2]" 1
499 1 32 ARG HA 1 33 GLY H 2.999 2.249 3.749 2.289 2.151 2.582 0.098 3 0 "[ . 1 . 2]" 1
500 1 22 THR H 1 22 THR MG 4.012 3.009 5.015 3.234 2.851 3.749 0.158 6 0 "[ . 1 . 2]" 1
501 1 52 ALA HA 1 53 ARG H 3.793 2.845 4.741 3.421 3.354 3.486 . 0 0 "[ . 1 . 2]" 1
502 1 5 ILE H 1 5 ILE QG 3.874 2.905 4.843 2.720 2.510 3.220 0.395 2 0 "[ . 1 . 2]" 1
503 1 44 CYS H 1 44 CYS HB2 4.043 3.120 5.054 3.621 3.535 3.765 . 0 0 "[ . 1 . 2]" 1
504 1 54 GLY HA2 1 56 ASP H 4.881 3.661 6.101 5.334 4.780 5.918 . 0 0 "[ . 1 . 2]" 1
505 1 41 GLY H 1 63 VAL QG 4.715 3.536 5.894 4.972 3.910 5.501 . 0 0 "[ . 1 . 2]" 1
506 1 50 CYS H 1 51 ARG HG2 4.366 3.274 5.458 5.020 3.861 6.281 0.823 18 7 "[ * *.* * 1 * . + -]" 1
507 1 50 CYS H 1 57 GLY H 4.969 3.727 6.211 6.163 5.741 6.487 0.276 15 0 "[ . 1 . 2]" 1
508 1 11 ILE HA 1 13 GLY H 4.056 3.042 5.070 3.946 3.415 4.409 . 0 0 "[ . 1 . 2]" 1
509 1 30 GLY HA2 1 31 SER H 2.967 2.225 3.709 3.401 3.211 3.543 . 0 0 "[ . 1 . 2]" 1
510 1 40 SER QB 1 66 LEU H 4.485 3.364 5.606 5.309 4.368 5.602 . 0 0 "[ . 1 . 2]" 1
511 1 17 LEU HB2 1 18 ARG H 3.045 2.284 3.806 3.718 3.048 4.218 0.412 10 0 "[ . 1 . 2]" 1
512 1 43 ALA HA 1 45 SER H 4.591 3.443 5.739 5.785 5.611 5.897 0.158 13 0 "[ . 1 . 2]" 1
513 1 5 ILE H 1 6 GLU H 3.966 2.974 4.958 2.927 2.594 3.590 0.380 3 0 "[ . 1 . 2]" 1
514 1 19 LYS QG 1 20 SER H 4.652 3.489 5.815 4.399 3.890 4.861 . 0 0 "[ . 1 . 2]" 1
515 1 48 ALA H 1 50 CYS H 4.150 3.113 5.187 4.379 3.989 5.041 . 0 0 "[ . 1 . 2]" 1
516 1 47 ASP H 1 49 GLN HG3 5.455 4.091 6.819 5.871 4.701 6.711 . 0 0 "[ . 1 . 2]" 1
517 1 30 GLY H 1 31 SER HA 4.685 3.514 5.856 5.150 4.868 5.455 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU QB 1 26 ASP H 4.478 3.358 5.598 4.645 3.324 5.652 0.054 20 0 "[ . 1 . 2]" 1
519 1 15 LYS QG 1 17 LEU H 4.395 3.296 5.494 4.860 3.580 5.341 . 0 0 "[ . 1 . 2]" 1
520 1 50 CYS H 1 52 ALA MB 4.123 3.092 5.154 4.768 4.257 5.031 . 0 0 "[ . 1 . 2]" 1
521 1 41 GLY H 1 65 VAL HA 5.394 4.046 6.742 6.303 4.964 6.860 0.118 11 0 "[ . 1 . 2]" 1
522 1 50 CYS QB 1 58 CYS H 4.104 3.078 5.130 3.567 2.613 4.991 0.465 20 0 "[ . 1 . 2]" 1
523 1 7 ASP HB3 1 8 SER H 3.870 2.903 4.837 3.948 2.870 4.554 0.033 16 0 "[ . 1 . 2]" 1
524 1 17 LEU MD1 1 18 ARG H 3.938 2.954 4.922 4.589 2.347 5.446 0.607 15 3 "[ . - 1 + * 2]" 1
525 1 40 SER QB 1 64 CYS H 5.072 3.804 6.340 4.963 3.663 5.730 0.141 17 0 "[ . 1 . 2]" 1
526 1 44 CYS HB2 1 50 CYS H 4.347 3.260 5.434 4.081 3.189 4.644 0.071 8 0 "[ . 1 . 2]" 1
527 1 49 GLN HE22 1 49 GLN HG2 3.501 2.626 4.376 3.799 3.560 4.068 . 0 0 "[ . 1 . 2]" 1
528 1 25 GLU H 1 25 GLU HB2 3.084 2.313 3.855 2.969 2.386 3.670 . 0 0 "[ . 1 . 2]" 1
529 1 55 CYS HB2 1 56 ASP H 3.592 2.694 4.490 2.384 2.256 2.537 0.438 19 0 "[ . 1 . 2]" 1
530 1 16 SER H 1 16 SER QB 3.119 2.339 3.899 2.608 2.281 3.111 0.058 10 0 "[ . 1 . 2]" 1
531 1 64 CYS H 1 64 CYS HB3 3.545 2.659 4.431 3.243 2.603 3.683 0.056 11 0 "[ . 1 . 2]" 1
532 1 40 SER H 1 52 ALA H 4.591 3.443 5.739 5.688 5.347 5.892 0.153 20 0 "[ . 1 . 2]" 1
533 1 51 ARG H 1 58 CYS HB2 4.500 3.375 5.625 5.453 4.365 5.933 0.308 7 0 "[ . 1 . 2]" 1
534 1 11 ILE H 1 11 ILE MG 3.211 2.408 4.014 3.728 2.782 3.842 . 0 0 "[ . 1 . 2]" 1
535 1 46 SER HB3 1 48 ALA H 3.674 2.755 4.593 3.398 2.706 4.389 0.049 1 0 "[ . 1 . 2]" 1
536 1 6 GLU HB2 1 8 SER H 4.692 3.519 5.865 5.245 4.569 5.567 . 0 0 "[ . 1 . 2]" 1
537 1 41 GLY QA 1 64 CYS H 4.892 3.669 6.115 4.975 4.298 5.319 . 0 0 "[ . 1 . 2]" 1
538 1 44 CYS HB3 1 50 CYS H 4.163 3.122 5.204 4.137 3.114 4.737 0.008 8 0 "[ . 1 . 2]" 1
539 1 24 LEU HA 1 25 GLU H 2.826 2.120 3.532 3.073 2.215 3.563 0.031 10 0 "[ . 1 . 2]" 1
540 1 44 CYS H 1 64 CYS HB2 3.644 2.733 4.555 4.527 4.060 4.800 0.245 14 0 "[ . 1 . 2]" 1
541 1 24 LEU H 1 25 GLU HA 4.662 3.496 5.828 4.753 4.068 5.594 . 0 0 "[ . 1 . 2]" 1
542 1 50 CYS QB 1 51 ARG H 3.260 2.445 4.075 2.588 2.279 2.949 0.166 2 0 "[ . 1 . 2]" 1
543 1 50 CYS QB 1 53 ARG H 4.778 3.583 5.973 4.420 4.246 4.685 . 0 0 "[ . 1 . 2]" 1
544 1 61 SER H 1 62 GLY HA3 4.261 3.196 5.326 5.071 4.866 5.318 . 0 0 "[ . 1 . 2]" 1
545 1 48 ALA H 1 48 ALA HA 3.242 2.432 4.052 2.740 2.712 2.762 . 0 0 "[ . 1 . 2]" 1
546 1 52 ALA H 1 52 ALA MB 2.542 . 3.178 2.261 2.239 2.303 . 0 0 "[ . 1 . 2]" 1
547 1 8 SER H 1 9 GLU H 3.317 2.488 4.146 2.593 2.444 2.851 0.044 16 0 "[ . 1 . 2]" 1
548 1 50 CYS QB 1 52 ALA H 4.442 3.332 5.552 4.802 4.608 5.037 . 0 0 "[ . 1 . 2]" 1
549 1 65 VAL H 1 66 LEU H 4.217 3.163 5.271 4.406 4.367 4.431 . 0 0 "[ . 1 . 2]" 1
550 1 49 GLN HG2 1 50 CYS H 3.289 2.467 4.111 3.688 2.737 5.012 0.901 11 7 "[ * -*1+* .* *2]" 1
551 1 50 CYS H 1 50 CYS QB . 2.951 3.509 2.527 2.338 2.891 0.613 12 10 "[ ** * ** 1*+ * - *]" 1
552 1 55 CYS HB2 1 57 GLY H 3.825 2.869 4.781 4.139 3.731 4.596 . 0 0 "[ . 1 . 2]" 1
553 1 23 SER HB3 1 24 LEU H 3.477 2.608 4.346 4.232 3.450 4.620 0.274 13 0 "[ . 1 . 2]" 1
554 1 53 ARG HA 1 56 ASP H 5.049 3.787 6.311 6.917 6.558 7.531 1.220 19 6 "[ * * 1-* * +2]" 1
555 1 49 GLN HG2 1 51 ARG H 4.778 3.583 5.973 5.630 4.778 6.624 0.651 11 3 "[ . * 1+ .- 2]" 1
556 1 47 ASP HB3 1 48 ALA H 3.351 2.513 4.189 3.498 2.449 4.346 0.157 1 0 "[ . 1 . 2]" 1
557 1 49 GLN HA 1 52 ALA H 3.775 2.831 4.719 3.494 2.826 4.169 0.005 10 0 "[ . 1 . 2]" 1
558 1 46 SER H 1 58 CYS HB2 4.017 3.013 5.021 4.975 4.457 5.399 0.378 8 0 "[ . 1 . 2]" 1
559 1 49 GLN HA 1 53 ARG H 5.178 3.883 6.473 4.127 3.824 4.654 0.059 20 0 "[ . 1 . 2]" 1
560 1 11 ILE H 1 11 ILE HA 3.082 2.311 3.853 2.852 2.780 2.929 . 0 0 "[ . 1 . 2]" 1
561 1 56 ASP HB2 1 57 GLY H 3.531 2.648 4.414 3.650 2.755 3.843 . 0 0 "[ . 1 . 2]" 1
562 1 27 ASP QB 1 28 ASP H 2.866 2.149 3.583 3.324 2.826 3.678 0.095 2 0 "[ . 1 . 2]" 1
563 1 44 CYS H 1 63 VAL HB 4.329 3.247 5.411 5.135 4.814 5.462 0.051 7 0 "[ . 1 . 2]" 1
564 1 45 SER HB2 1 47 ASP H 5.308 3.981 6.635 6.601 6.496 6.709 0.074 1 0 "[ . 1 . 2]" 1
565 1 14 LEU H 1 14 LEU HA 3.033 2.275 3.791 2.592 2.255 2.942 0.020 15 0 "[ . 1 . 2]" 1
566 1 48 ALA MB 1 51 ARG H 4.251 3.188 5.314 4.716 4.343 5.293 . 0 0 "[ . 1 . 2]" 1
567 1 46 SER H 1 49 GLN H 3.954 2.966 4.942 4.604 4.382 4.916 . 0 0 "[ . 1 . 2]" 1
568 1 12 GLN H 1 12 GLN HA 2.932 2.199 3.665 2.836 2.773 2.890 . 0 0 "[ . 1 . 2]" 1
569 1 48 ALA H 1 48 ALA MB 2.912 2.184 3.640 2.199 2.176 2.211 0.008 17 0 "[ . 1 . 2]" 1
570 1 11 ILE MG 1 14 LEU H 3.653 2.740 4.566 4.356 3.887 4.766 0.200 6 0 "[ . 1 . 2]" 1
571 1 55 CYS H 1 55 CYS HA 3.598 2.699 4.497 2.825 2.738 2.912 . 0 0 "[ . 1 . 2]" 1
572 1 44 CYS HA 1 50 CYS H 4.896 3.672 6.120 5.886 5.240 6.270 0.150 7 0 "[ . 1 . 2]" 1
573 1 28 ASP HA 1 29 ASP H 2.604 . 3.255 3.471 3.412 3.514 0.259 3 0 "[ . 1 . 2]" 1
574 1 9 GLU HA 1 11 ILE H 3.953 2.965 4.941 4.575 3.841 5.029 0.088 9 0 "[ . 1 . 2]" 1
575 1 51 ARG H 1 51 ARG HA 3.236 2.427 4.045 2.765 2.686 2.859 . 0 0 "[ . 1 . 2]" 1
576 1 48 ALA H 1 51 ARG QB 5.505 4.129 6.881 4.558 4.035 5.453 0.094 8 0 "[ . 1 . 2]" 1
577 1 65 VAL HA 1 66 LEU H 2.753 2.065 3.441 2.553 2.444 2.649 . 0 0 "[ . 1 . 2]" 1
578 1 43 ALA HA 1 64 CYS H 4.285 3.214 5.356 3.680 3.117 4.257 0.097 15 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 34
_Distance_constraint_stats_list.Viol_total 33.216
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0488
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 42 THR 0.006 0.006 6 0 "[ . 1 . 2]"
1 44 CYS 0.118 0.055 8 0 "[ . 1 . 2]"
1 46 SER 0.708 0.142 20 0 "[ . 1 . 2]"
1 47 ASP 0.008 0.008 18 0 "[ . 1 . 2]"
1 48 ALA 0.006 0.006 18 0 "[ . 1 . 2]"
1 49 GLN 0.708 0.142 20 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.008 0.008 18 0 "[ . 1 . 2]"
1 52 ALA 0.006 0.006 18 0 "[ . 1 . 2]"
1 57 GLY 0.063 0.035 13 0 "[ . 1 . 2]"
1 59 SER 0.752 0.109 19 0 "[ . 1 . 2]"
1 61 SER 0.752 0.109 19 0 "[ . 1 . 2]"
1 62 GLY 0.118 0.055 8 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.006 0.006 6 0 "[ . 1 . 2]"
1 65 VAL 0.063 0.035 13 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 46 SER O 1 49 GLN H 2.200 . 2.700 2.628 2.273 2.842 0.142 20 0 "[ . 1 . 2]" 2
2 1 47 ASP O 1 50 CYS H 2.200 . 2.700 2.296 2.048 2.625 . 0 0 "[ . 1 . 2]" 2
3 1 47 ASP O 1 51 ARG H 2.200 . 2.700 2.029 1.751 2.708 0.008 18 0 "[ . 1 . 2]" 2
4 1 48 ALA O 1 52 ALA H 2.200 . 2.700 1.877 1.724 2.541 0.006 18 0 "[ . 1 . 2]" 2
5 1 59 SER H 1 63 VAL O 2.200 . 2.700 2.104 1.805 2.481 . 0 0 "[ . 1 . 2]" 2
6 1 42 THR O 1 64 CYS H 2.200 . 2.700 2.087 1.724 2.571 0.006 6 0 "[ . 1 . 2]" 2
7 1 57 GLY O 1 65 VAL H 2.200 . 2.700 1.930 1.804 2.199 . 0 0 "[ . 1 . 2]" 2
8 1 57 GLY H 1 65 VAL O 2.200 . 2.700 1.900 1.695 2.236 0.035 13 0 "[ . 1 . 2]" 2
9 1 59 SER O 1 61 SER H 2.200 . 2.700 2.587 2.132 2.809 0.109 19 0 "[ . 1 . 2]" 2
10 1 44 CYS H 1 62 GLY O 2.200 . 2.700 2.429 1.837 2.755 0.055 8 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 4:23:35 PM GMT (wattos1)