NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653722 |
7jsq   |
30656 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7jsq
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 181
_Distance_constraint_stats_list.Viol_count 704
_Distance_constraint_stats_list.Viol_total 2164.318
_Distance_constraint_stats_list.Viol_max 1.183
_Distance_constraint_stats_list.Viol_rms 0.2066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1196
_Distance_constraint_stats_list.Viol_average_violations_only 0.3074
_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 1.633 0.583 2 1 "[ + . 1]"
1 5 LYS 7.270 0.681 10 3 "[ * . - +]"
1 6 SER 7.607 0.557 5 1 "[ + 1]"
1 7 ILE 6.997 0.697 9 1 "[ . +1]"
1 8 SER 5.716 0.448 3 0 "[ . 1]"
1 9 THR 13.942 1.143 9 10 [*****-**+*]
1 10 SER 16.314 1.143 9 10 [*****-**+*]
1 11 THR 2.649 0.359 3 0 "[ . 1]"
1 12 LYS 9.354 0.830 7 1 "[ . + 1]"
1 13 MET 8.766 0.830 7 5 "[ ** - + *1]"
1 14 VAL 10.313 0.595 9 5 "[ ** * -+1]"
1 15 ASN 0.000 0.000 . 0 "[ . 1]"
1 16 GLY 0.468 0.111 10 0 "[ . 1]"
1 17 ARG 8.543 0.662 8 3 "[ * . *+ 1]"
1 18 LYS 7.376 0.662 8 3 "[ - . *+ 1]"
1 19 ILE 13.773 1.183 9 10 [*****-**+*]
1 20 THR 5.344 0.370 8 0 "[ . 1]"
1 21 THR 7.567 0.552 6 2 "[ -.+ 1]"
1 22 LYS 3.491 0.616 9 2 "[- . +1]"
1 23 ARG 12.010 0.703 10 7 "[*** * -* +]"
1 24 ILE 10.976 0.903 1 10 [+********-]
1 25 VAL 10.987 0.703 10 7 "[*** * -* +]"
1 26 GLU 15.032 0.557 5 2 "[ + -]"
1 27 ASN 0.000 0.000 . 0 "[ . 1]"
1 28 GLY 1.067 0.157 6 0 "[ . 1]"
1 29 GLN 14.818 0.843 10 10 [***-*****+]
1 30 GLU 15.412 0.903 1 10 [+**-******]
1 31 ARG 7.705 0.521 10 1 "[ . +]"
1 32 VAL 6.079 0.589 7 4 "[- .*+* 1]"
1 33 GLU 9.596 0.789 3 7 "[ *+** -**1]"
1 34 VAL 12.971 0.789 3 4 "[* + .- *1]"
1 35 GLU 17.703 1.183 9 10 [***-****+*]
1 36 GLU 9.678 0.930 9 9 "[**-** **+*]"
1 37 ASP 2.341 0.320 9 0 "[ . 1]"
1 38 GLY 1.907 0.320 9 0 "[ . 1]"
1 39 GLN 9.065 0.663 9 2 "[ .- +1]"
1 40 LEU 12.561 0.930 9 10 [*****-**+*]
1 41 LYS 0.485 0.249 3 0 "[ . 1]"
1 42 SER 8.485 0.789 3 7 "[ *+** -**1]"
1 43 LEU 7.178 0.589 7 4 "[- .*+* 1]"
1 44 THR 9.131 0.866 4 2 "[ +.* 1]"
1 45 ILE 8.556 0.866 4 2 "[ +.- 1]"
1 46 ASN 1.599 0.440 9 0 "[ . 1]"
1 47 GLY 1.216 0.486 7 0 "[ . 1]"
1 48 LYS 4.943 0.486 7 0 "[ . 1]"
1 49 GLU 4.408 0.608 4 1 "[ +. 1]"
1 50 GLN 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 5.920 0.881 5 5 "[ *-+ ** 1]"
1 52 LEU 10.913 0.881 5 5 "[ *-+ ** 1]"
1 53 ARG 8.971 0.761 2 6 "[*+**.* -]"
1 54 LEU 9.315 0.761 2 6 "[*+ *.* *-]"
1 55 ASP 12.153 0.591 4 3 "[ *+. -1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PHE HA 1 4 PHE QB 2.502 . 2.502 2.407 2.198 2.546 0.044 5 0 "[ . 1]" 1
2 1 4 PHE HA 1 5 LYS H 2.501 . 2.501 2.490 2.153 3.084 0.583 2 1 "[ + . 1]" 1
3 1 5 LYS H 1 5 LYS HA 2.501 . 2.501 2.839 2.348 2.960 0.459 5 0 "[ . 1]" 1
4 1 5 LYS H 1 5 LYS QB 2.501 . 2.501 2.680 2.456 3.182 0.681 10 2 "[ . - +]" 1
5 1 5 LYS H 1 6 SER H 4.501 . 4.501 4.313 3.587 4.633 0.132 3 0 "[ . 1]" 1
6 1 5 LYS HA 1 6 SER H 3.501 . 3.501 2.230 2.147 2.379 . 0 0 "[ . 1]" 1
7 1 5 LYS QB 1 6 SER H 4.501 . 4.501 3.210 2.503 4.036 . 0 0 "[ . 1]" 1
8 1 6 SER H 1 6 SER QB 3.501 . 3.501 2.557 2.363 3.089 . 0 0 "[ . 1]" 1
9 1 6 SER H 1 25 VAL H 4.501 . 4.501 2.752 2.074 3.352 . 0 0 "[ . 1]" 1
10 1 6 SER H 1 26 GLU H 4.501 . 4.501 4.834 4.681 5.058 0.557 5 1 "[ + 1]" 1
11 1 6 SER HA 1 6 SER QB 2.502 . 2.502 2.347 2.189 2.398 . 0 0 "[ . 1]" 1
12 1 6 SER HA 1 7 ILE H 2.501 . 2.501 2.163 2.146 2.200 . 0 0 "[ . 1]" 1
13 1 6 SER HA 1 8 SER H 5.001 . 5.001 5.211 4.657 5.394 0.393 7 0 "[ . 1]" 1
14 1 6 SER QB 1 7 ILE H 3.501 . 3.501 3.469 2.972 3.831 0.330 9 0 "[ . 1]" 1
15 1 6 SER QB 1 25 VAL H 4.501 . 4.501 2.237 1.786 3.362 . 0 0 "[ . 1]" 1
16 1 7 ILE H 1 7 ILE HB 3.501 . 3.501 2.839 2.519 3.765 0.264 5 0 "[ . 1]" 1
17 1 7 ILE H 1 7 ILE QG 2.501 . 2.501 2.533 2.114 2.750 0.249 2 0 "[ . 1]" 1
18 1 7 ILE H 1 7 ILE MG 3.501 . 3.501 3.651 2.930 3.861 0.360 2 0 "[ . 1]" 1
19 1 7 ILE H 1 8 SER H 4.501 . 4.501 3.925 3.411 4.221 . 0 0 "[ . 1]" 1
20 1 7 ILE HA 1 7 ILE QG 3.502 . 3.502 2.660 2.419 3.295 . 0 0 "[ . 1]" 1
21 1 7 ILE HA 1 7 ILE MG 2.502 . 2.502 2.303 2.240 2.352 . 0 0 "[ . 1]" 1
22 1 7 ILE HA 1 8 SER H 2.501 . 2.501 2.258 2.182 2.445 . 0 0 "[ . 1]" 1
23 1 7 ILE HA 1 24 ILE HA 3.502 . 3.502 3.442 3.050 3.757 0.255 5 0 "[ . 1]" 1
24 1 7 ILE HB 1 7 ILE MD 2.502 . 2.502 2.332 2.098 3.199 0.697 9 1 "[ . +1]" 1
25 1 7 ILE QG 1 8 SER H 4.501 . 4.501 4.380 4.149 4.825 0.324 9 0 "[ . 1]" 1
26 1 7 ILE MG 1 8 SER H 4.501 . 4.501 3.520 3.238 4.297 . 0 0 "[ . 1]" 1
27 1 7 ILE MG 1 8 SER QB 5.502 . 5.502 4.934 4.644 5.378 . 0 0 "[ . 1]" 1
28 1 8 SER H 1 23 ARG H 4.501 . 4.501 3.904 3.634 4.114 . 0 0 "[ . 1]" 1
29 1 8 SER H 1 23 ARG QB 4.501 . 4.501 3.863 3.303 4.388 . 0 0 "[ . 1]" 1
30 1 8 SER HA 1 8 SER QB 2.502 . 2.502 2.381 2.355 2.466 . 0 0 "[ . 1]" 1
31 1 8 SER QB 1 9 THR H 4.501 . 4.501 2.843 2.283 3.498 . 0 0 "[ . 1]" 1
32 1 8 SER QB 1 23 ARG H 3.501 . 3.501 3.770 3.600 3.949 0.448 3 0 "[ . 1]" 1
33 1 8 SER QB 1 23 ARG QB 4.502 . 4.502 2.578 2.280 3.100 . 0 0 "[ . 1]" 1
34 1 9 THR H 1 23 ARG H 3.501 . 3.501 3.874 3.759 3.999 0.498 9 0 "[ . 1]" 1
35 1 9 THR HA 1 22 LYS HA 3.502 . 3.502 2.200 1.854 2.560 . 0 0 "[ . 1]" 1
36 1 9 THR HA 1 23 ARG H 3.501 . 3.501 2.186 1.915 2.417 . 0 0 "[ . 1]" 1
37 1 9 THR HB 1 10 SER H 4.501 . 4.501 2.130 1.934 2.286 . 0 0 "[ . 1]" 1
38 1 9 THR HB 1 10 SER QB 3.502 . 3.502 4.523 4.398 4.645 1.143 9 10 [*****-**+*] 1
39 1 9 THR MG 1 22 LYS HA 5.002 . 5.002 1.925 1.869 1.984 . 0 0 "[ . 1]" 1
40 1 10 SER H 1 10 SER QB 3.501 . 3.501 2.689 2.632 2.783 . 0 0 "[ . 1]" 1
41 1 10 SER H 1 21 THR H 2.501 . 2.501 2.724 2.562 2.856 0.355 9 0 "[ . 1]" 1
42 1 10 SER H 1 21 THR HB 4.501 . 4.501 3.632 3.394 4.163 . 0 0 "[ . 1]" 1
43 1 10 SER H 1 22 LYS HA 4.501 . 4.501 3.756 3.420 4.086 . 0 0 "[ . 1]" 1
44 1 10 SER H 1 23 ARG H 4.501 . 4.501 4.461 4.318 4.563 0.062 9 0 "[ . 1]" 1
45 1 10 SER HA 1 10 SER QB 2.502 . 2.502 2.342 2.339 2.346 . 0 0 "[ . 1]" 1
46 1 10 SER HA 1 11 THR H 4.501 . 4.501 2.166 2.146 2.212 . 0 0 "[ . 1]" 1
47 1 10 SER QB 1 11 THR H 4.501 . 4.501 3.780 3.654 3.998 . 0 0 "[ . 1]" 1
48 1 10 SER QB 1 21 THR HB 3.502 . 3.502 2.485 2.123 3.026 . 0 0 "[ . 1]" 1
49 1 11 THR HA 1 12 LYS H 2.501 . 2.501 2.494 2.393 2.565 0.064 4 0 "[ . 1]" 1
50 1 11 THR HA 1 20 THR H 4.501 . 4.501 4.632 4.542 4.774 0.273 5 0 "[ . 1]" 1
51 1 11 THR HA 1 20 THR HA 2.502 . 2.502 2.314 2.171 2.510 0.008 5 0 "[ . 1]" 1
52 1 11 THR HB 1 12 LYS H 3.501 . 3.501 3.028 2.449 3.860 0.359 3 0 "[ . 1]" 1
53 1 11 THR MG 1 12 LYS H . . 4.001 3.085 2.409 3.969 . 0 0 "[ . 1]" 1
54 1 12 LYS H 1 12 LYS HA 2.501 . 2.501 2.828 2.812 2.853 0.352 7 0 "[ . 1]" 1
55 1 12 LYS H 1 13 MET H . . 3.501 3.853 3.747 4.331 0.830 7 1 "[ . + 1]" 1
56 1 12 LYS H 1 19 ILE H 3.501 . 3.501 3.625 3.511 3.739 0.238 4 0 "[ . 1]" 1
57 1 13 MET H 1 14 VAL H 3.501 . 3.501 3.965 3.603 4.096 0.595 9 4 "[ ** - +1]" 1
58 1 13 MET HA 1 17 ARG H 3.501 . 3.501 3.499 3.287 3.723 0.222 6 0 "[ . 1]" 1
59 1 13 MET HA 1 19 ILE H 4.501 . 4.501 3.823 3.356 4.179 . 0 0 "[ . 1]" 1
60 1 14 VAL H 1 17 ARG H 2.501 . 2.501 2.806 2.651 3.047 0.546 8 1 "[ . + 1]" 1
61 1 14 VAL H 1 18 LYS HA 3.501 . 3.501 3.753 3.635 3.906 0.405 10 0 "[ . 1]" 1
62 1 14 VAL H 1 19 ILE H . . 3.501 3.363 3.009 3.597 0.096 4 0 "[ . 1]" 1
63 1 14 VAL QG 1 19 ILE MD 3.002 . 3.002 2.004 1.832 2.873 . 0 0 "[ . 1]" 1
64 1 15 ASN H 1 16 GLY H 4.501 . 4.501 3.034 2.657 3.878 . 0 0 "[ . 1]" 1
65 1 16 GLY H 1 17 ARG H 2.501 . 2.501 2.526 2.386 2.612 0.111 10 0 "[ . 1]" 1
66 1 17 ARG H 1 18 LYS H 3.501 . 3.501 3.944 3.762 4.163 0.662 8 3 "[ - . *+ 1]" 1
67 1 18 LYS H 1 37 ASP H 4.501 . 4.501 4.287 3.339 4.705 0.204 7 0 "[ . 1]" 1
68 1 18 LYS HA 1 19 ILE H 2.501 . 2.501 2.381 2.261 2.460 . 0 0 "[ . 1]" 1
69 1 19 ILE H 1 19 ILE HB 2.501 . 2.501 2.450 2.361 2.520 0.019 10 0 "[ . 1]" 1
70 1 19 ILE HA 1 20 THR H 2.501 . 2.501 2.151 2.147 2.161 . 0 0 "[ . 1]" 1
71 1 19 ILE HA 1 35 GLU H 2.502 . 2.502 3.473 3.202 3.685 1.183 9 10 [*****-**+*] 1
72 1 19 ILE HB 1 20 THR H 4.501 . 4.501 4.331 4.237 4.448 . 0 0 "[ . 1]" 1
73 1 19 ILE MG 1 20 THR H 2.501 . 2.501 2.769 2.636 2.871 0.370 8 0 "[ . 1]" 1
74 1 20 THR H 1 20 THR HB 2.501 . 2.501 2.584 2.514 2.748 0.247 9 0 "[ . 1]" 1
75 1 20 THR H 1 20 THR MG 4.001 . 4.001 3.806 3.778 3.882 . 0 0 "[ . 1]" 1
76 1 20 THR HA 1 21 THR H 2.501 . 2.501 2.160 2.145 2.171 . 0 0 "[ . 1]" 1
77 1 20 THR HB 1 35 GLU H 4.501 . 4.501 3.877 3.415 4.308 . 0 0 "[ . 1]" 1
78 1 20 THR MG 1 21 THR H 3.001 . 3.001 3.022 2.816 3.120 0.119 5 0 "[ . 1]" 1
79 1 21 THR H 1 21 THR HB 2.501 . 2.501 2.502 2.243 2.579 0.078 9 0 "[ . 1]" 1
80 1 21 THR HA 1 21 THR MG 3.002 . 3.002 2.384 2.278 3.033 0.031 8 0 "[ . 1]" 1
81 1 21 THR HA 1 22 LYS H 2.501 . 2.501 2.167 2.149 2.245 . 0 0 "[ . 1]" 1
82 1 21 THR HA 1 34 VAL HA 2.502 . 2.502 2.511 2.181 2.700 0.198 5 0 "[ . 1]" 1
83 1 21 THR HA 1 35 GLU H 3.502 . 3.502 3.890 3.625 4.054 0.552 6 2 "[ -.+ 1]" 1
84 1 21 THR MG 1 22 LYS H 4.001 . 4.001 2.712 2.511 2.857 . 0 0 "[ . 1]" 1
85 1 21 THR MG 1 32 VAL QG 3.002 . 3.002 2.067 1.721 2.558 . 0 0 "[ . 1]" 1
86 1 22 LYS H 1 22 LYS QB 3.501 . 3.501 2.467 2.268 2.866 . 0 0 "[ . 1]" 1
87 1 22 LYS H 1 23 ARG H 4.501 . 4.501 4.352 4.170 4.505 0.004 4 0 "[ . 1]" 1
88 1 22 LYS H 1 33 GLU H 3.501 . 3.501 2.130 1.781 2.604 . 0 0 "[ . 1]" 1
89 1 22 LYS H 1 34 VAL H 4.501 . 4.501 4.850 4.574 5.117 0.616 9 2 "[- . +1]" 1
90 1 22 LYS HA 1 23 ARG H 2.501 . 2.501 2.161 2.146 2.229 . 0 0 "[ . 1]" 1
91 1 23 ARG HA 1 24 ILE H 3.501 . 3.501 2.167 2.150 2.238 . 0 0 "[ . 1]" 1
92 1 23 ARG HA 1 25 VAL QG 4.002 . 4.002 4.545 4.382 4.705 0.703 10 7 "[*** * -* +]" 1
93 1 23 ARG HA 1 32 VAL HA 4.502 . 4.502 3.753 3.150 4.230 . 0 0 "[ . 1]" 1
94 1 24 ILE H 1 24 ILE QG 4.501 . 4.501 2.858 2.632 3.250 . 0 0 "[ . 1]" 1
95 1 24 ILE H 1 30 GLU HA 2.502 . 2.502 3.284 3.190 3.405 0.903 1 10 [+********-] 1
96 1 24 ILE HA 1 25 VAL H . . 2.501 2.148 2.146 2.151 . 0 0 "[ . 1]" 1
97 1 24 ILE MG 1 25 VAL H 2.501 . 2.501 2.772 2.690 2.912 0.411 9 0 "[ . 1]" 1
98 1 25 VAL HA 1 25 VAL QG 3.002 . 3.002 2.103 2.039 2.132 . 0 0 "[ . 1]" 1
99 1 25 VAL HA 1 26 GLU H 2.501 . 2.501 2.172 2.147 2.189 . 0 0 "[ . 1]" 1
100 1 25 VAL HA 1 30 GLU HA 3.502 . 3.502 2.855 2.711 3.137 . 0 0 "[ . 1]" 1
101 1 25 VAL QG 1 26 GLU H 3.001 . 3.001 3.025 2.780 3.137 0.136 7 0 "[ . 1]" 1
102 1 25 VAL QG 1 28 GLY H 4.001 . 4.001 3.060 2.573 3.413 . 0 0 "[ . 1]" 1
103 1 25 VAL QG 1 29 GLN H 3.001 . 3.001 2.686 2.288 3.019 0.018 1 0 "[ . 1]" 1
104 1 25 VAL QG 1 31 ARG H 4.001 . 4.001 4.217 4.043 4.397 0.396 3 0 "[ . 1]" 1
105 1 26 GLU H 1 26 GLU HA 2.501 . 2.501 2.953 2.936 2.958 0.457 2 0 "[ . 1]" 1
106 1 26 GLU H 1 29 GLN H 2.501 . 2.501 2.719 2.639 2.841 0.340 10 0 "[ . 1]" 1
107 1 26 GLU H 1 30 GLU HA 4.502 . 4.502 4.495 4.310 4.635 0.133 5 0 "[ . 1]" 1
108 1 26 GLU H 1 31 ARG H 4.501 . 4.501 4.896 4.703 5.022 0.521 10 1 "[ . +]" 1
109 1 27 ASN H 1 28 GLY H 4.501 . 4.501 3.375 3.211 3.601 . 0 0 "[ . 1]" 1
110 1 28 GLY H 1 29 GLN H 2.501 . 2.501 2.608 2.559 2.658 0.157 6 0 "[ . 1]" 1
111 1 29 GLN H 1 29 GLN HA 2.501 . 2.501 2.935 2.907 2.954 0.453 8 0 "[ . 1]" 1
112 1 29 GLN H 1 30 GLU H 3.501 . 3.501 4.222 4.017 4.344 0.843 10 10 [***-*****+] 1
113 1 29 GLN HA 1 30 GLU H 4.501 . 4.501 2.239 2.155 2.702 . 0 0 "[ . 1]" 1
114 1 30 GLU H 1 31 ARG H 4.501 . 4.501 3.934 3.216 4.100 . 0 0 "[ . 1]" 1
115 1 30 GLU H 1 46 ASN H 4.501 . 4.501 3.249 2.607 3.733 . 0 0 "[ . 1]" 1
116 1 30 GLU HA 1 31 ARG H 2.501 . 2.501 2.268 2.194 2.368 . 0 0 "[ . 1]" 1
117 1 31 ARG H 1 46 ASN H 4.501 . 4.501 4.654 4.436 4.941 0.440 9 0 "[ . 1]" 1
118 1 32 VAL H 1 43 LEU HA . . 3.502 3.925 3.725 4.091 0.589 7 4 "[- .*+* 1]" 1
119 1 32 VAL H 1 45 ILE HA 3.501 . 3.501 3.679 3.435 3.838 0.337 9 0 "[ . 1]" 1
120 1 32 VAL HA 1 32 VAL QG 3.002 . 3.002 2.187 2.076 2.328 . 0 0 "[ . 1]" 1
121 1 32 VAL HA 1 33 GLU H 2.501 . 2.501 2.171 2.147 2.246 . 0 0 "[ . 1]" 1
122 1 33 GLU H 1 34 VAL H 3.501 . 3.501 3.830 3.698 3.945 0.444 3 0 "[ . 1]" 1
123 1 33 GLU HA 1 34 VAL H 2.501 . 2.501 2.221 2.145 2.316 . 0 0 "[ . 1]" 1
124 1 33 GLU HA 1 42 SER H 3.501 . 3.501 4.033 3.745 4.290 0.789 3 7 "[ *+** -**1]" 1
125 1 33 GLU HA 1 43 LEU HA 4.502 . 4.502 3.142 2.824 3.487 . 0 0 "[ . 1]" 1
126 1 33 GLU HA 1 44 THR H 4.501 . 4.501 4.510 4.011 4.858 0.357 5 0 "[ . 1]" 1
127 1 34 VAL H 1 40 LEU QD 3.001 . 3.001 3.063 2.630 3.790 0.789 3 2 "[ + .- 1]" 1
128 1 34 VAL H 1 42 SER H 3.501 . 3.501 3.255 2.934 3.751 0.250 9 0 "[ . 1]" 1
129 1 34 VAL H 1 42 SER QB 3.501 . 3.501 2.021 1.743 2.528 . 0 0 "[ . 1]" 1
130 1 34 VAL H 1 43 LEU HA 4.501 . 4.501 4.733 4.511 4.928 0.427 6 0 "[ . 1]" 1
131 1 34 VAL HA 1 35 GLU H 2.501 . 2.501 2.172 2.147 2.237 . 0 0 "[ . 1]" 1
132 1 34 VAL QG 1 35 GLU H 3.001 . 3.001 2.796 2.299 3.428 0.427 4 0 "[ . 1]" 1
133 1 35 GLU H 1 36 GLU H 4.501 . 4.501 4.356 4.309 4.470 . 0 0 "[ . 1]" 1
134 1 35 GLU HA 1 39 GLN H 3.501 . 3.501 3.766 3.564 4.164 0.663 9 2 "[ .- +1]" 1
135 1 35 GLU HA 1 40 LEU HA 3.502 . 3.502 2.361 2.080 2.788 . 0 0 "[ . 1]" 1
136 1 35 GLU HA 1 41 LYS H 4.501 . 4.501 4.042 3.608 4.735 0.234 6 0 "[ . 1]" 1
137 1 36 GLU H 1 39 GLN H 2.501 . 2.501 2.738 2.657 2.881 0.380 3 0 "[ . 1]" 1
138 1 36 GLU H 1 40 LEU HA 2.501 . 2.501 3.232 2.992 3.431 0.930 9 9 "[**-** **+*]" 1
139 1 37 ASP H 1 38 GLY H 3.501 . 3.501 2.914 2.778 3.051 . 0 0 "[ . 1]" 1
140 1 37 ASP HA 1 38 GLY H 2.501 . 2.501 2.692 2.544 2.821 0.320 9 0 "[ . 1]" 1
141 1 38 GLY H 1 39 GLN H 3.501 . 3.501 2.812 2.437 2.968 . 0 0 "[ . 1]" 1
142 1 39 GLN H 1 39 GLN HA 2.501 . 2.501 2.881 2.830 2.955 0.454 6 0 "[ . 1]" 1
143 1 39 GLN HA 1 40 LEU H . . 2.501 2.268 2.147 2.627 0.126 7 0 "[ . 1]" 1
144 1 40 LEU HA 1 40 LEU QD 3.002 . 3.002 2.333 1.900 3.400 0.398 3 0 "[ . 1]" 1
145 1 40 LEU HA 1 41 LYS H 3.501 . 3.501 2.261 2.221 2.315 . 0 0 "[ . 1]" 1
146 1 40 LEU HA 1 42 SER H 3.501 . 3.501 3.633 3.258 3.839 0.338 6 0 "[ . 1]" 1
147 1 40 LEU QD 1 41 LYS H 5.001 . 5.001 2.990 1.888 4.173 . 0 0 "[ . 1]" 1
148 1 40 LEU QD 1 42 SER H 3.001 . 3.001 2.805 1.986 3.340 0.339 7 0 "[ . 1]" 1
149 1 41 LYS H 1 42 SER H . . 2.501 1.986 1.662 2.750 0.249 3 0 "[ . 1]" 1
150 1 42 SER H 1 42 SER QB 3.501 . 3.501 2.594 2.499 2.680 . 0 0 "[ . 1]" 1
151 1 43 LEU HA 1 43 LEU QD 4.002 . 4.002 2.542 1.782 3.411 . 0 0 "[ . 1]" 1
152 1 43 LEU HA 1 44 THR H 3.501 . 3.501 2.330 2.162 2.770 . 0 0 "[ . 1]" 1
153 1 43 LEU QD 1 44 THR H 4.001 . 4.001 3.550 2.493 4.372 0.371 7 0 "[ . 1]" 1
154 1 44 THR HA 1 44 THR MG 3.002 . 3.002 2.295 1.910 3.167 0.165 4 0 "[ . 1]" 1
155 1 44 THR HA 1 45 ILE H 2.501 . 2.501 2.433 2.289 2.634 0.133 6 0 "[ . 1]" 1
156 1 44 THR HA 1 49 GLU HA 3.502 . 3.502 2.463 2.053 2.917 . 0 0 "[ . 1]" 1
157 1 44 THR HB 1 45 ILE H 2.501 . 2.501 2.806 2.620 3.367 0.866 4 1 "[ +. 1]" 1
158 1 44 THR HB 1 48 LYS H 3.501 . 3.501 3.059 2.452 3.766 0.265 4 0 "[ . 1]" 1
159 1 44 THR MG 1 45 ILE H 3.001 . 3.001 2.933 1.956 3.862 0.861 6 1 "[ .+ 1]" 1
160 1 44 THR MG 1 48 LYS H 3.001 . 3.001 2.836 1.945 3.416 0.415 6 0 "[ . 1]" 1
161 1 44 THR MG 1 49 GLU HA 3.002 . 3.002 2.336 1.872 3.610 0.608 4 1 "[ +. 1]" 1
162 1 45 ILE H 1 48 LYS H . . 2.501 2.323 2.062 2.584 0.083 7 0 "[ . 1]" 1
163 1 45 ILE H 1 49 GLU H 4.501 . 4.501 4.414 4.098 4.706 0.205 10 0 "[ . 1]" 1
164 1 45 ILE H 1 49 GLU HA 3.501 . 3.501 3.582 3.190 3.790 0.289 6 0 "[ . 1]" 1
165 1 45 ILE HA 1 46 ASN H 3.502 . 3.502 2.171 2.146 2.211 . 0 0 "[ . 1]" 1
166 1 46 ASN H 1 47 GLY H 4.501 . 4.501 3.103 2.916 3.649 . 0 0 "[ . 1]" 1
167 1 47 GLY H 1 48 LYS H . . 2.501 2.582 2.255 2.987 0.486 7 0 "[ . 1]" 1
168 1 48 LYS H 1 49 GLU H 3.501 . 3.501 3.678 3.178 3.949 0.448 3 0 "[ . 1]" 1
169 1 50 GLN HA 1 51 LEU H 4.501 . 4.501 2.369 2.181 3.066 . 0 0 "[ . 1]" 1
170 1 51 LEU H 1 52 LEU H 3.501 . 3.501 3.654 2.737 4.382 0.881 5 3 "[ *-+ 1]" 1
171 1 51 LEU QD 1 52 LEU H . . 3.001 3.171 2.235 3.574 0.573 8 2 "[ . -+ 1]" 1
172 1 52 LEU H 1 52 LEU HA 2.501 . 2.501 2.852 2.788 2.951 0.450 5 0 "[ . 1]" 1
173 1 52 LEU QD 1 55 ASP H 4.001 . 4.001 4.149 4.066 4.265 0.264 4 0 "[ . 1]" 1
174 1 53 ARG H 1 53 ARG QB 3.501 . 3.501 2.918 2.630 3.316 . 0 0 "[ . 1]" 1
175 1 53 ARG H 1 54 LEU HA 3.501 . 3.501 4.047 3.942 4.262 0.761 2 5 "[*+ *.* -]" 1
176 1 53 ARG QB 1 55 ASP H 3.501 . 3.501 3.852 3.557 4.092 0.591 4 2 "[ -+. 1]" 1
177 1 54 LEU H 1 54 LEU QB 2.501 . 2.501 2.350 2.050 3.011 0.510 10 1 "[ . +]" 1
178 1 54 LEU HA 1 55 ASP H 3.501 . 3.501 3.499 3.461 3.573 0.072 10 0 "[ . 1]" 1
179 1 54 LEU QB 1 55 ASP H 2.501 . 2.501 2.768 2.008 3.013 0.512 9 1 "[ . +1]" 1
180 1 55 ASP H 1 55 ASP HA 2.501 . 2.501 2.848 2.792 2.915 0.414 10 0 "[ . 1]" 1
181 1 55 ASP H 1 55 ASP QB 2.501 . 2.501 2.429 2.240 2.773 0.272 10 0 "[ . 1]" 1
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