NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440418 |
2k8x   |
15965 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k8x
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 1104
_Distance_constraint_stats_list.Viol_count 301
_Distance_constraint_stats_list.Viol_total 1061.419
_Distance_constraint_stats_list.Viol_max 3.147
_Distance_constraint_stats_list.Viol_rms 0.0839
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.3526
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 GLY 0.000 0.000 . 0 "[ . 1]"
1 4 SER 1.300 1.018 9 1 "[ . +1]"
1 5 SER 0.282 0.164 5 0 "[ . 1]"
1 6 SER 1.094 1.018 9 1 "[ . +1]"
1 7 LEU 2.520 1.734 5 1 "[ + 1]"
1 8 GLU 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.069 0.059 7 0 "[ . 1]"
1 10 VAL 0.489 0.489 6 0 "[ . 1]"
1 11 ARG 6.497 1.734 5 3 "[ -+ * 1]"
1 12 ARG 0.033 0.033 6 0 "[ . 1]"
1 13 LYS 0.069 0.059 7 0 "[ . 1]"
1 14 ILE 8.222 0.567 5 3 "[ -+ * 1]"
1 15 ARG 3.741 0.442 2 0 "[ . 1]"
1 16 SER 1.117 0.625 1 1 "[+ . 1]"
1 17 LEU 0.941 0.625 1 1 "[+ . 1]"
1 18 GLN 1.339 0.474 9 0 "[ . 1]"
1 19 GLU 2.995 0.414 6 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 21 ASN 4.866 0.687 4 1 "[ +. 1]"
1 22 TYR 0.057 0.057 7 0 "[ . 1]"
1 23 HIS 0.734 0.484 8 0 "[ . 1]"
1 24 LEU 4.921 0.613 5 2 "[- + 1]"
1 25 GLU 0.001 0.001 4 0 "[ . 1]"
1 26 ASN 0.636 0.484 8 0 "[ . 1]"
1 27 GLU 1.385 0.451 2 0 "[ . 1]"
1 28 VAL 3.537 0.613 5 2 "[- + 1]"
1 29 ALA 0.245 0.142 6 0 "[ . 1]"
1 30 ARG 7.402 0.817 3 7 "[*-+ ** **]"
1 31 LEU 6.735 0.530 5 1 "[ + 1]"
1 32 LYS 3.819 0.568 6 1 "[ .+ 1]"
1 33 LYS 0.727 0.319 9 0 "[ . 1]"
1 34 LEU 10.124 0.817 3 4 "[ + - **]"
1 35 VAL 12.319 3.147 9 4 "[ .* *+*]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 37 GLU 0.686 0.220 1 0 "[ . 1]"
1 38 ARG 0.686 0.220 1 0 "[ . 1]"
2 2 ALA 0.000 0.000 . 0 "[ . 1]"
2 3 GLY 0.000 0.000 . 0 "[ . 1]"
2 4 SER 2.933 1.544 8 3 "[ - . +*1]"
2 5 SER 0.554 0.462 9 0 "[ . 1]"
2 6 SER 2.146 1.544 8 2 "[ - . + 1]"
2 7 LEU 4.714 1.835 1 4 "[+- . * *1]"
2 8 GLU 1.130 0.525 2 1 "[ + . 1]"
2 9 ALA 2.954 0.687 9 2 "[- . +1]"
2 10 VAL 1.199 1.168 7 1 "[ . + 1]"
2 11 ARG 9.137 1.835 1 6 "[+***. * -1]"
2 12 ARG 0.286 0.115 1 0 "[ . 1]"
2 13 LYS 2.998 0.687 9 2 "[- . +1]"
2 14 ILE 7.808 0.743 4 2 "[ -+. 1]"
2 15 ARG 5.920 0.899 7 3 "[ * . + -1]"
2 16 SER 0.719 0.205 2 0 "[ . 1]"
2 17 LEU 0.245 0.245 9 0 "[ . 1]"
2 18 GLN 4.854 1.502 2 3 "[ + *- 1]"
2 19 GLU 4.518 0.638 9 4 "[** .- +1]"
2 20 GLN 1.577 0.687 4 1 "[ +. 1]"
2 21 ASN 4.944 0.739 4 3 "[- +. *1]"
2 22 TYR 3.296 1.502 2 2 "[ + - 1]"
2 23 HIS 1.704 0.561 2 2 "[ + .- 1]"
2 24 LEU 2.512 1.356 5 2 "[- + 1]"
2 25 GLU 0.926 0.488 9 0 "[ . 1]"
2 26 ASN 0.194 0.177 5 0 "[ . 1]"
2 27 GLU 1.277 0.420 5 0 "[ . 1]"
2 28 VAL 2.032 1.356 5 2 "[- + 1]"
2 29 ALA 2.104 1.288 2 1 "[ + . 1]"
2 30 ARG 3.814 2.052 2 2 "[ + . *]"
2 31 LEU 6.879 0.851 5 3 "[ +* - 1]"
2 32 LYS 7.774 2.052 2 3 "[ + . **1]"
2 33 LYS 2.372 0.573 2 1 "[ + . 1]"
2 34 LEU 7.060 0.851 5 4 "[ +* -*1]"
2 35 VAL 15.198 3.147 9 5 "[ * .* *+*]"
2 36 GLY 0.130 0.130 4 0 "[ . 1]"
2 37 GLU 2.122 0.418 4 0 "[ . 1]"
2 38 ARG 2.122 0.418 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 GLY H 5.000 . 5.250 2.788 2.147 3.548 . 0 0 "[ . 1]" 1
2 1 2 ALA HA 1 3 GLY QA 5.600 . 5.880 4.071 3.901 4.370 . 0 0 "[ . 1]" 1
3 1 3 GLY QA 1 4 SER H 5.600 . 5.880 2.373 2.115 2.778 . 0 0 "[ . 1]" 1
4 1 3 GLY QA 1 5 SER H 6.000 . 6.300 3.455 2.869 4.268 . 0 0 "[ . 1]" 1
5 1 3 GLY QA 1 7 LEU QD 8.400 . 8.820 5.394 3.323 6.707 . 0 0 "[ . 1]" 1
6 1 4 SER H 1 5 SER HA 5.000 . 5.250 5.117 4.514 5.414 0.164 5 0 "[ . 1]" 1
7 1 4 SER H 1 5 SER QB 5.600 . 5.880 4.668 3.872 5.098 . 0 0 "[ . 1]" 1
8 1 4 SER H 1 6 SER H 5.000 . 5.250 4.347 3.619 6.268 1.018 9 1 "[ . +1]" 1
9 1 4 SER HA 1 5 SER H 5.000 . 5.250 3.347 2.552 3.582 . 0 0 "[ . 1]" 1
10 1 4 SER HA 1 7 LEU H 5.000 . 5.250 3.485 3.108 4.173 . 0 0 "[ . 1]" 1
11 1 4 SER HA 1 8 GLU H 5.000 . 5.250 4.137 3.247 4.592 . 0 0 "[ . 1]" 1
12 1 4 SER HB2 1 7 LEU QD 7.400 . 7.770 5.086 3.356 6.271 . 0 0 "[ . 1]" 1
13 1 4 SER HB3 1 7 LEU QD 7.400 . 7.770 4.770 3.325 6.092 . 0 0 "[ . 1]" 1
14 1 4 SER QB 1 8 GLU H 6.000 . 6.300 4.598 3.874 5.417 . 0 0 "[ . 1]" 1
15 1 4 SER QB 1 8 GLU QB 7.000 . 7.350 4.329 3.018 5.329 . 0 0 "[ . 1]" 1
16 1 5 SER HA 1 6 SER H 5.000 . 5.250 3.521 3.471 3.576 . 0 0 "[ . 1]" 1
17 1 5 SER HA 1 8 GLU H 5.000 . 5.250 3.637 3.305 4.066 . 0 0 "[ . 1]" 1
18 1 5 SER QB 1 6 SER HA 5.600 . 5.880 3.957 3.703 4.132 . 0 0 "[ . 1]" 1
19 1 5 SER QB 1 9 ALA MB 7.000 . 7.350 4.218 3.693 4.735 . 0 0 "[ . 1]" 1
20 1 6 SER H 1 7 LEU H 5.000 . 5.250 2.688 2.482 2.881 . 0 0 "[ . 1]" 1
21 1 6 SER H 1 7 LEU QB 4.600 . 4.830 4.435 4.165 4.906 0.076 5 0 "[ . 1]" 1
22 1 6 SER HA 1 7 LEU H 4.000 . 4.200 3.543 3.499 3.563 . 0 0 "[ . 1]" 1
23 1 6 SER HA 1 9 ALA MB 6.000 . 6.300 2.667 2.262 2.906 . 0 0 "[ . 1]" 1
24 1 6 SER QB 1 7 LEU H 4.600 . 4.830 2.558 2.321 3.139 . 0 0 "[ . 1]" 1
25 1 6 SER HB2 1 9 ALA MB 6.000 . 6.300 4.916 4.302 5.146 . 0 0 "[ . 1]" 1
26 1 6 SER HB3 1 9 ALA MB 6.000 . 6.300 4.626 4.228 5.331 . 0 0 "[ . 1]" 1
27 1 6 SER HB2 1 10 VAL QG 7.400 . 7.770 4.574 3.595 5.435 . 0 0 "[ . 1]" 1
28 1 6 SER HB3 1 10 VAL QG 7.400 . 7.770 4.079 3.355 4.901 . 0 0 "[ . 1]" 1
29 1 7 LEU H 1 7 LEU HB2 4.000 . 4.200 2.402 2.239 2.496 . 0 0 "[ . 1]" 1
30 1 7 LEU H 1 7 LEU HB3 4.000 . 4.200 2.708 2.502 3.586 . 0 0 "[ . 1]" 1
31 1 7 LEU H 1 7 LEU HG 5.000 . 5.250 4.208 2.290 4.524 . 0 0 "[ . 1]" 1
32 1 7 LEU H 1 9 ALA H 5.000 . 5.250 4.076 3.939 4.224 . 0 0 "[ . 1]" 1
33 1 7 LEU HA 1 10 VAL H 5.000 . 5.250 3.662 3.387 3.916 . 0 0 "[ . 1]" 1
34 1 7 LEU HA 1 10 VAL HB 4.000 . 4.200 3.234 2.739 4.689 0.489 6 0 "[ . 1]" 1
35 1 7 LEU HA 1 10 VAL MG1 6.000 . 6.300 4.207 2.354 4.706 . 0 0 "[ . 1]" 1
36 1 7 LEU HA 1 10 VAL MG2 6.000 . 6.300 3.533 2.919 4.991 . 0 0 "[ . 1]" 1
37 1 7 LEU HA 1 11 ARG H 5.000 . 5.250 3.974 3.636 4.119 . 0 0 "[ . 1]" 1
38 1 7 LEU HB2 1 8 GLU H 5.000 . 5.250 3.607 2.571 3.879 . 0 0 "[ . 1]" 1
39 1 7 LEU HB3 1 8 GLU H 5.000 . 5.250 2.591 2.356 3.574 . 0 0 "[ . 1]" 1
40 1 7 LEU QB 1 8 GLU HA 5.600 . 5.880 4.030 3.841 4.147 . 0 0 "[ . 1]" 1
41 1 7 LEU HG 1 8 GLU H 5.000 . 5.250 4.349 3.658 4.833 . 0 0 "[ . 1]" 1
42 1 7 LEU HG 1 10 VAL QG 7.400 . 7.770 4.766 4.099 5.523 . 0 0 "[ . 1]" 1
43 1 7 LEU HG 1 11 ARG H 5.000 . 5.250 5.026 4.254 6.984 1.734 5 1 "[ + 1]" 1
44 1 7 LEU QD 1 8 GLU H 7.400 . 7.770 3.610 3.204 4.072 . 0 0 "[ . 1]" 1
45 1 7 LEU QD 1 8 GLU QB 8.000 . 8.400 4.313 3.577 5.381 . 0 0 "[ . 1]" 1
46 1 7 LEU QD 1 11 ARG H 7.400 . 7.770 3.845 3.385 5.120 . 0 0 "[ . 1]" 1
47 1 7 LEU QD 1 11 ARG HB2 7.400 . 7.770 3.228 2.416 4.912 . 0 0 "[ . 1]" 1
48 1 7 LEU QD 1 11 ARG HB3 7.400 . 7.770 4.159 3.307 6.049 . 0 0 "[ . 1]" 1
49 1 8 GLU H 1 8 GLU HB2 4.000 . 4.200 2.478 2.120 3.607 . 0 0 "[ . 1]" 1
50 1 8 GLU H 1 8 GLU HB3 4.000 . 4.200 2.886 2.491 3.620 . 0 0 "[ . 1]" 1
51 1 8 GLU H 1 9 ALA H 4.000 . 4.200 2.659 2.520 2.795 . 0 0 "[ . 1]" 1
52 1 8 GLU H 1 10 VAL H 5.000 . 5.250 4.349 4.140 4.461 . 0 0 "[ . 1]" 1
53 1 8 GLU H 1 11 ARG QB 5.000 . 5.250 4.583 4.237 5.204 . 0 0 "[ . 1]" 1
54 1 8 GLU HA 1 9 ALA H 5.000 . 5.250 3.533 3.499 3.554 . 0 0 "[ . 1]" 1
55 1 8 GLU HA 1 11 ARG H 4.000 . 4.200 3.576 3.159 3.927 . 0 0 "[ . 1]" 1
56 1 8 GLU HA 1 11 ARG QB 6.000 . 6.300 2.533 1.968 3.374 . 0 0 "[ . 1]" 1
57 1 8 GLU HA 1 11 ARG QG 6.000 . 6.300 4.310 3.903 5.188 . 0 0 "[ . 1]" 1
58 1 8 GLU HA 1 11 ARG QD 6.000 . 6.300 3.877 2.546 5.540 . 0 0 "[ . 1]" 1
59 1 8 GLU HA 1 12 ARG H 5.000 . 5.250 3.809 3.542 4.090 . 0 0 "[ . 1]" 1
60 1 8 GLU HA 1 12 ARG QB 6.000 . 6.300 4.447 3.733 4.912 . 0 0 "[ . 1]" 1
61 1 8 GLU HB2 1 9 ALA H 5.000 . 5.250 3.516 2.618 3.956 . 0 0 "[ . 1]" 1
62 1 8 GLU HB3 1 9 ALA H 5.000 . 5.250 2.936 2.390 4.095 . 0 0 "[ . 1]" 1
63 1 9 ALA HA 1 10 VAL H 5.000 . 5.250 3.563 3.545 3.577 . 0 0 "[ . 1]" 1
64 1 9 ALA HA 1 12 ARG H 4.000 . 4.200 3.737 3.380 4.069 . 0 0 "[ . 1]" 1
65 1 9 ALA HA 1 12 ARG QB 5.000 . 5.250 3.058 2.305 4.349 . 0 0 "[ . 1]" 1
66 1 9 ALA HA 1 13 LYS H 4.000 . 4.200 4.094 3.771 4.259 0.059 7 0 "[ . 1]" 1
67 1 9 ALA MB 1 10 VAL H 5.000 . 5.250 2.379 2.245 2.627 . 0 0 "[ . 1]" 1
68 1 9 ALA MB 1 10 VAL QG 8.400 . 8.820 3.060 2.849 3.677 . 0 0 "[ . 1]" 1
69 1 10 VAL H 1 10 VAL HB 4.000 . 4.200 2.541 2.493 2.597 . 0 0 "[ . 1]" 1
70 1 10 VAL H 1 11 ARG H 4.000 . 4.200 2.682 2.544 2.782 . 0 0 "[ . 1]" 1
71 1 10 VAL H 1 12 ARG H 5.000 . 5.250 4.275 3.954 4.489 . 0 0 "[ . 1]" 1
72 1 10 VAL HA 1 11 ARG H 5.000 . 5.250 3.541 3.500 3.571 . 0 0 "[ . 1]" 1
73 1 10 VAL HA 1 13 LYS H 4.000 . 4.200 3.485 3.283 3.801 . 0 0 "[ . 1]" 1
74 1 10 VAL HA 1 13 LYS QB 5.000 . 5.250 2.581 2.253 3.124 . 0 0 "[ . 1]" 1
75 1 10 VAL HA 1 14 ILE H 5.000 . 5.250 3.907 3.780 4.117 . 0 0 "[ . 1]" 1
76 1 10 VAL HB 1 11 ARG H 4.000 . 4.200 2.669 2.402 4.004 . 0 0 "[ . 1]" 1
77 1 10 VAL QG 1 11 ARG H 7.400 . 7.770 3.044 2.248 3.261 . 0 0 "[ . 1]" 1
78 1 10 VAL QG 1 14 ILE H 7.400 . 7.770 3.713 3.558 3.974 . 0 0 "[ . 1]" 1
79 1 10 VAL QG 1 14 ILE QG 8.400 . 8.820 3.082 2.673 3.435 . 0 0 "[ . 1]" 1
80 1 10 VAL MG2 1 11 ARG H 6.000 . 6.300 3.793 3.724 3.865 . 0 0 "[ . 1]" 1
81 1 11 ARG H 1 11 ARG HB2 4.000 . 4.200 2.454 2.242 2.648 . 0 0 "[ . 1]" 1
82 1 11 ARG H 1 11 ARG HB3 4.000 . 4.200 2.574 2.349 2.778 . 0 0 "[ . 1]" 1
83 1 11 ARG H 1 13 LYS H 5.000 . 5.250 4.100 3.752 4.372 . 0 0 "[ . 1]" 1
84 1 11 ARG H 1 14 ILE HG12 5.000 . 5.250 4.638 4.047 5.641 0.391 6 0 "[ . 1]" 1
85 1 11 ARG H 1 14 ILE HG13 5.000 . 5.250 5.302 4.537 5.817 0.567 5 3 "[ -+ * 1]" 1
86 1 11 ARG H 1 14 ILE MD 6.000 . 6.300 4.742 4.104 5.506 . 0 0 "[ . 1]" 1
87 1 11 ARG HA 1 12 ARG H 4.000 . 4.200 3.550 3.491 3.574 . 0 0 "[ . 1]" 1
88 1 11 ARG HA 1 14 ILE H 5.000 . 5.250 3.796 3.633 4.047 . 0 0 "[ . 1]" 1
89 1 11 ARG HA 1 14 ILE HB 5.000 . 5.250 5.163 4.819 5.670 0.420 6 0 "[ . 1]" 1
90 1 11 ARG HA 1 14 ILE MG 6.000 . 6.300 4.060 3.607 4.613 . 0 0 "[ . 1]" 1
91 1 11 ARG HA 1 14 ILE MD 6.000 . 6.300 2.555 2.171 3.145 . 0 0 "[ . 1]" 1
92 1 11 ARG QB 1 12 ARG H 4.600 . 4.830 2.395 2.143 2.579 . 0 0 "[ . 1]" 1
93 1 11 ARG QB 1 12 ARG HA 5.600 . 5.880 4.092 3.914 4.336 . 0 0 "[ . 1]" 1
94 1 11 ARG HB2 1 14 ILE MD 6.000 . 6.300 4.303 3.668 5.120 . 0 0 "[ . 1]" 1
95 1 11 ARG HB3 1 14 ILE MD 6.000 . 6.300 4.958 4.510 5.278 . 0 0 "[ . 1]" 1
96 1 11 ARG QG 1 12 ARG H 6.000 . 6.300 3.694 3.034 4.404 . 0 0 "[ . 1]" 1
97 1 11 ARG QG 1 12 ARG HA 6.000 . 6.300 3.960 3.158 5.189 . 0 0 "[ . 1]" 1
98 1 11 ARG QG 1 14 ILE HG12 6.000 . 6.300 4.336 3.707 5.211 . 0 0 "[ . 1]" 1
99 1 11 ARG QG 1 14 ILE HG13 6.000 . 6.300 4.165 3.855 4.489 . 0 0 "[ . 1]" 1
100 1 11 ARG HG2 1 14 ILE MD 6.000 . 6.300 3.850 2.403 5.009 . 0 0 "[ . 1]" 1
101 1 11 ARG HG3 1 14 ILE MD 6.000 . 6.300 3.982 3.149 4.611 . 0 0 "[ . 1]" 1
102 1 11 ARG QD 1 12 ARG H 6.000 . 6.300 3.963 3.320 4.752 . 0 0 "[ . 1]" 1
103 1 11 ARG QD 1 15 ARG H 6.000 . 6.300 5.347 3.846 6.567 0.267 10 0 "[ . 1]" 1
104 1 12 ARG H 1 12 ARG HG2 5.000 . 5.250 4.197 2.282 4.583 . 0 0 "[ . 1]" 1
105 1 12 ARG H 1 12 ARG HG3 5.000 . 5.250 4.354 3.637 4.493 . 0 0 "[ . 1]" 1
106 1 12 ARG H 1 13 LYS H 5.000 . 5.250 2.655 2.547 2.790 . 0 0 "[ . 1]" 1
107 1 12 ARG H 1 15 ARG QB 6.000 . 6.300 4.733 4.511 5.055 . 0 0 "[ . 1]" 1
108 1 12 ARG HA 1 13 LYS H 5.000 . 5.250 3.522 3.458 3.560 . 0 0 "[ . 1]" 1
109 1 12 ARG HA 1 15 ARG H 4.000 . 4.200 3.718 3.279 3.991 . 0 0 "[ . 1]" 1
110 1 12 ARG HA 1 15 ARG QB 5.000 . 5.250 2.740 1.989 3.296 . 0 0 "[ . 1]" 1
111 1 12 ARG HA 1 15 ARG QG 6.000 . 6.300 4.420 2.713 5.262 . 0 0 "[ . 1]" 1
112 1 12 ARG HA 1 15 ARG QD 6.000 . 6.300 4.270 3.002 5.979 . 0 0 "[ . 1]" 1
113 1 12 ARG QB 1 13 LYS H 5.600 . 5.880 2.650 2.347 3.607 . 0 0 "[ . 1]" 1
114 1 12 ARG QB 1 13 LYS HA 5.600 . 5.880 4.052 3.641 4.612 . 0 0 "[ . 1]" 1
115 1 12 ARG QB 1 16 SER QB 7.000 . 7.350 4.866 4.404 5.654 . 0 0 "[ . 1]" 1
116 1 12 ARG HG2 1 16 SER QB 6.000 . 6.300 4.353 3.237 6.333 0.033 6 0 "[ . 1]" 1
117 1 12 ARG HG3 1 16 SER QB 6.000 . 6.300 4.491 3.787 5.468 . 0 0 "[ . 1]" 1
118 1 13 LYS H 1 13 LYS HB2 4.000 . 4.200 2.479 2.322 2.606 . 0 0 "[ . 1]" 1
119 1 13 LYS H 1 13 LYS HB3 4.000 . 4.200 2.671 2.454 3.597 . 0 0 "[ . 1]" 1
120 1 13 LYS H 1 14 ILE H 5.000 . 5.250 2.806 2.628 2.933 . 0 0 "[ . 1]" 1
121 1 13 LYS H 1 15 ARG H 5.000 . 5.250 4.074 3.855 4.251 . 0 0 "[ . 1]" 1
122 1 13 LYS H 1 16 SER QB 6.000 . 6.300 4.951 4.612 5.605 . 0 0 "[ . 1]" 1
123 1 13 LYS HA 1 14 ILE H 4.000 . 4.200 3.582 3.574 3.588 . 0 0 "[ . 1]" 1
124 1 13 LYS HB2 1 14 ILE H 5.000 . 5.250 3.615 2.304 3.903 . 0 0 "[ . 1]" 1
125 1 13 LYS HB3 1 14 ILE H 5.000 . 5.250 2.490 2.129 3.211 . 0 0 "[ . 1]" 1
126 1 13 LYS QB 1 14 ILE HA 5.600 . 5.880 4.028 3.652 4.182 . 0 0 "[ . 1]" 1
127 1 13 LYS QB 1 14 ILE HG12 5.600 . 5.880 4.433 3.970 5.020 . 0 0 "[ . 1]" 1
128 1 13 LYS QB 1 14 ILE HG13 5.600 . 5.880 4.819 3.730 5.608 . 0 0 "[ . 1]" 1
129 1 13 LYS QB 1 14 ILE MG 6.600 . 6.930 3.044 2.858 3.209 . 0 0 "[ . 1]" 1
130 1 13 LYS QB 1 17 LEU QD 8.400 . 8.820 3.915 3.178 5.204 . 0 0 "[ . 1]" 1
131 1 13 LYS QG 1 14 ILE H 6.000 . 6.300 3.567 3.212 4.065 . 0 0 "[ . 1]" 1
132 1 13 LYS QG 1 14 ILE HA 6.000 . 6.300 3.767 3.274 5.599 . 0 0 "[ . 1]" 1
133 1 13 LYS QG 1 16 SER QB 7.000 . 7.350 4.474 3.724 5.787 . 0 0 "[ . 1]" 1
134 1 13 LYS QG 1 17 LEU H 6.000 . 6.300 4.549 3.935 6.081 . 0 0 "[ . 1]" 1
135 1 13 LYS QG 1 17 LEU QD 8.400 . 8.820 2.728 2.119 4.340 . 0 0 "[ . 1]" 1
136 1 14 ILE H 1 14 ILE HB 4.000 . 4.200 3.654 3.640 3.676 . 0 0 "[ . 1]" 1
137 1 14 ILE H 1 14 ILE HG12 5.000 . 5.250 2.572 2.073 3.274 . 0 0 "[ . 1]" 1
138 1 14 ILE H 1 14 ILE HG13 5.000 . 5.250 2.705 1.919 3.247 . 0 0 "[ . 1]" 1
139 1 14 ILE H 1 15 ARG H 5.000 . 5.250 2.638 2.547 2.726 . 0 0 "[ . 1]" 1
140 1 14 ILE H 1 16 SER H 4.000 . 4.200 4.223 4.098 4.418 0.218 6 0 "[ . 1]" 1
141 1 14 ILE H 1 17 LEU H 5.000 . 5.250 4.693 4.563 4.856 . 0 0 "[ . 1]" 1
142 1 14 ILE HA 1 17 LEU H 5.000 . 5.250 3.314 3.167 3.577 . 0 0 "[ . 1]" 1
143 1 14 ILE HA 1 17 LEU HB2 5.000 . 5.250 2.543 2.373 2.820 . 0 0 "[ . 1]" 1
144 1 14 ILE HA 1 17 LEU HB3 5.000 . 5.250 3.929 2.354 4.293 . 0 0 "[ . 1]" 1
145 1 14 ILE HA 1 17 LEU MD1 6.000 . 6.300 2.672 1.996 4.545 . 0 0 "[ . 1]" 1
146 1 14 ILE HA 1 17 LEU MD2 6.000 . 6.300 4.239 2.793 4.838 . 0 0 "[ . 1]" 1
147 1 14 ILE HB 1 15 ARG H 5.000 . 5.250 3.833 3.739 3.932 . 0 0 "[ . 1]" 1
148 1 14 ILE HB 1 15 ARG HA 4.000 . 4.200 4.515 4.348 4.642 0.442 2 0 "[ . 1]" 1
149 1 14 ILE HB 1 18 GLN QE 6.000 . 6.300 2.661 2.025 3.138 . 0 0 "[ . 1]" 1
150 1 14 ILE QG 1 15 ARG HA 6.000 . 6.300 3.768 3.334 4.372 . 0 0 "[ . 1]" 1
151 1 14 ILE MG 1 15 ARG H 6.000 . 6.300 4.022 3.948 4.113 . 0 0 "[ . 1]" 1
152 1 14 ILE MG 1 17 LEU QB 7.000 . 7.350 3.982 3.661 4.170 . 0 0 "[ . 1]" 1
153 1 14 ILE MG 1 17 LEU QD 8.400 . 8.820 3.009 2.458 3.276 . 0 0 "[ . 1]" 1
154 1 14 ILE MG 1 18 GLN HG2 6.000 . 6.300 5.892 5.392 6.274 . 0 0 "[ . 1]" 1
155 1 14 ILE MG 1 18 GLN HG3 6.000 . 6.300 4.827 4.342 5.283 . 0 0 "[ . 1]" 1
156 1 14 ILE MG 1 18 GLN HE21 6.000 . 6.300 4.189 3.418 4.691 . 0 0 "[ . 1]" 1
157 1 14 ILE MG 1 18 GLN HE22 6.000 . 6.300 5.105 4.278 5.797 . 0 0 "[ . 1]" 1
158 1 14 ILE MD 1 15 ARG HA 6.000 . 6.300 3.876 2.541 4.772 . 0 0 "[ . 1]" 1
159 1 14 ILE MD 1 15 ARG QB 6.600 . 6.930 3.740 2.454 4.454 . 0 0 "[ . 1]" 1
160 1 14 ILE MD 1 18 GLN HE21 6.000 . 6.300 3.131 2.483 3.452 . 0 0 "[ . 1]" 1
161 1 14 ILE MD 1 18 GLN HE22 6.000 . 6.300 3.154 2.374 3.887 . 0 0 "[ . 1]" 1
162 1 15 ARG H 1 16 SER H 5.000 . 5.250 2.639 2.511 2.765 . 0 0 "[ . 1]" 1
163 1 15 ARG HA 1 18 GLN H 5.000 . 5.250 3.498 3.171 3.849 . 0 0 "[ . 1]" 1
164 1 15 ARG HA 1 18 GLN HB2 5.000 . 5.250 2.886 2.488 3.485 . 0 0 "[ . 1]" 1
165 1 15 ARG HA 1 18 GLN HB3 5.000 . 5.250 4.508 4.073 5.210 . 0 0 "[ . 1]" 1
166 1 15 ARG HA 1 18 GLN QG 6.000 . 6.300 3.511 2.480 4.214 . 0 0 "[ . 1]" 1
167 1 15 ARG HA 1 18 GLN QE 6.000 . 6.300 3.632 2.609 4.596 . 0 0 "[ . 1]" 1
168 1 15 ARG HA 1 19 GLU QB 6.000 . 6.300 4.734 4.054 5.302 . 0 0 "[ . 1]" 1
169 1 15 ARG QB 1 16 SER H 5.600 . 5.880 2.530 2.312 2.693 . 0 0 "[ . 1]" 1
170 1 15 ARG QB 1 16 SER QB 6.200 . 6.510 4.058 3.755 4.543 . 0 0 "[ . 1]" 1
171 1 16 SER H 1 18 GLN H 5.000 . 5.250 4.250 4.028 4.560 . 0 0 "[ . 1]" 1
172 1 16 SER HA 1 17 LEU H 5.000 . 5.250 3.539 3.517 3.561 . 0 0 "[ . 1]" 1
173 1 16 SER HA 1 19 GLU H 5.000 . 5.250 3.582 3.175 3.921 . 0 0 "[ . 1]" 1
174 1 16 SER HA 1 19 GLU HB2 5.000 . 5.250 3.601 2.570 4.221 . 0 0 "[ . 1]" 1
175 1 16 SER HA 1 19 GLU HB3 5.000 . 5.250 2.966 2.411 4.168 . 0 0 "[ . 1]" 1
176 1 16 SER HA 1 19 GLU QG 6.000 . 6.300 4.355 3.400 5.314 . 0 0 "[ . 1]" 1
177 1 16 SER HA 1 20 GLN QB 6.000 . 6.300 4.491 4.146 4.918 . 0 0 "[ . 1]" 1
178 1 16 SER QB 1 17 LEU H 5.600 . 5.880 2.641 2.451 3.398 . 0 0 "[ . 1]" 1
179 1 16 SER QB 1 17 LEU HG 5.600 . 5.880 4.033 3.248 6.505 0.625 1 1 "[+ . 1]" 1
180 1 17 LEU H 1 17 LEU HG 5.000 . 5.250 2.720 2.277 4.477 . 0 0 "[ . 1]" 1
181 1 17 LEU H 1 18 GLN H 5.000 . 5.250 2.749 2.627 2.912 . 0 0 "[ . 1]" 1
182 1 17 LEU H 1 19 GLU H 5.000 . 5.250 4.215 4.059 4.392 . 0 0 "[ . 1]" 1
183 1 17 LEU HA 1 20 GLN H 5.000 . 5.250 3.550 3.211 3.753 . 0 0 "[ . 1]" 1
184 1 17 LEU HA 1 20 GLN QB 5.000 . 5.250 2.624 2.263 2.938 . 0 0 "[ . 1]" 1
185 1 17 LEU HA 1 20 GLN QG 6.000 . 6.300 4.246 3.779 4.641 . 0 0 "[ . 1]" 1
186 1 17 LEU HA 1 21 ASN H 5.000 . 5.250 3.905 3.736 4.103 . 0 0 "[ . 1]" 1
187 1 17 LEU HA 1 21 ASN HD21 5.000 . 5.250 3.808 3.186 4.553 . 0 0 "[ . 1]" 1
188 1 17 LEU QB 1 18 GLN H 5.600 . 5.880 2.468 2.267 2.652 . 0 0 "[ . 1]" 1
189 1 17 LEU QB 1 18 GLN HA 5.600 . 5.880 3.873 3.748 4.179 . 0 0 "[ . 1]" 1
190 1 17 LEU QB 1 18 GLN QB 6.200 . 6.510 4.367 4.204 4.566 . 0 0 "[ . 1]" 1
191 1 17 LEU QB 1 21 ASN HD21 6.000 . 6.300 3.902 2.920 4.832 . 0 0 "[ . 1]" 1
192 1 17 LEU QB 1 21 ASN HD22 6.000 . 6.300 3.814 3.033 4.817 . 0 0 "[ . 1]" 1
193 1 17 LEU QD 1 18 GLN H 7.400 . 7.770 4.004 3.798 4.114 . 0 0 "[ . 1]" 1
194 1 17 LEU QD 1 18 GLN HG2 7.400 . 7.770 5.380 4.486 5.931 . 0 0 "[ . 1]" 1
195 1 17 LEU QD 1 18 GLN HG3 7.400 . 7.770 4.593 3.984 4.866 . 0 0 "[ . 1]" 1
196 1 17 LEU QD 1 18 GLN QG 8.400 . 8.820 4.347 3.728 4.655 . 0 0 "[ . 1]" 1
197 1 17 LEU QD 1 20 GLN QB 8.400 . 8.820 3.464 2.760 3.852 . 0 0 "[ . 1]" 1
198 1 17 LEU QD 1 21 ASN HD21 7.400 . 7.770 4.055 3.031 5.124 . 0 0 "[ . 1]" 1
199 1 17 LEU QD 1 21 ASN HD22 7.400 . 7.770 3.704 2.638 5.019 . 0 0 "[ . 1]" 1
200 1 18 GLN H 1 18 GLN HB2 4.000 . 4.200 2.471 2.395 2.599 . 0 0 "[ . 1]" 1
201 1 18 GLN H 1 18 GLN HB3 4.000 . 4.200 3.600 3.581 3.615 . 0 0 "[ . 1]" 1
202 1 18 GLN H 1 18 GLN HG2 5.000 . 5.250 3.490 3.248 3.717 . 0 0 "[ . 1]" 1
203 1 18 GLN H 1 18 GLN HG3 5.000 . 5.250 2.289 2.094 2.382 . 0 0 "[ . 1]" 1
204 1 18 GLN H 1 20 GLN H 5.000 . 5.250 4.193 4.010 4.414 . 0 0 "[ . 1]" 1
205 1 18 GLN HA 1 19 GLU H 5.000 . 5.250 3.546 3.524 3.570 . 0 0 "[ . 1]" 1
206 1 18 GLN HA 1 21 ASN H 5.000 . 5.250 3.520 3.196 3.753 . 0 0 "[ . 1]" 1
207 1 18 GLN HA 1 21 ASN HB2 4.000 . 4.200 2.593 2.305 2.861 . 0 0 "[ . 1]" 1
208 1 18 GLN HA 1 21 ASN HB3 5.000 . 5.250 4.128 3.834 4.453 . 0 0 "[ . 1]" 1
209 1 18 GLN HA 1 21 ASN HD22 5.000 . 5.250 4.962 4.089 5.724 0.474 9 0 "[ . 1]" 1
210 1 18 GLN HA 1 22 TYR H 4.000 . 4.200 3.997 3.610 4.257 0.057 7 0 "[ . 1]" 1
211 1 18 GLN HB3 1 18 GLN HE22 5.000 . 5.250 4.673 4.289 4.823 . 0 0 "[ . 1]" 1
212 1 18 GLN QB 1 19 GLU QB 5.200 . 5.460 3.892 3.600 4.218 . 0 0 "[ . 1]" 1
213 1 19 GLU H 1 19 GLU HB2 4.000 . 4.200 2.488 2.270 2.662 . 0 0 "[ . 1]" 1
214 1 19 GLU H 1 19 GLU HB3 4.000 . 4.200 2.634 2.353 3.548 . 0 0 "[ . 1]" 1
215 1 19 GLU H 1 20 GLN H 4.000 . 4.200 2.708 2.566 2.848 . 0 0 "[ . 1]" 1
216 1 19 GLU HA 1 20 GLN H 5.000 . 5.250 3.547 3.517 3.567 . 0 0 "[ . 1]" 1
217 1 19 GLU HA 1 21 ASN H 4.000 . 4.200 4.490 4.280 4.614 0.414 6 0 "[ . 1]" 1
218 1 19 GLU HA 1 22 TYR H 4.000 . 4.200 3.597 3.227 3.972 . 0 0 "[ . 1]" 1
219 1 19 GLU HA 1 22 TYR QB 5.000 . 5.250 2.854 2.313 3.357 . 0 0 "[ . 1]" 1
220 1 19 GLU HA 1 22 TYR QD 7.200 . 7.560 3.841 2.122 4.830 . 0 0 "[ . 1]" 1
221 1 19 GLU HA 1 23 HIS H 4.000 . 4.200 4.006 3.731 4.298 0.098 5 0 "[ . 1]" 1
222 1 19 GLU HB2 1 20 GLN H 4.000 . 4.200 3.674 2.505 3.921 . 0 0 "[ . 1]" 1
223 1 19 GLU HB3 1 20 GLN H 4.000 . 4.200 2.577 2.343 3.115 . 0 0 "[ . 1]" 1
224 1 19 GLU QB 1 20 GLN HA 5.600 . 5.880 4.099 3.773 4.248 . 0 0 "[ . 1]" 1
225 1 19 GLU QB 1 20 GLN QB 5.200 . 5.460 3.902 3.820 4.030 . 0 0 "[ . 1]" 1
226 1 19 GLU QB 1 21 ASN H 6.000 . 6.300 4.728 4.619 4.917 . 0 0 "[ . 1]" 1
227 1 19 GLU QG 1 20 GLN H 6.000 . 6.300 3.666 3.094 4.289 . 0 0 "[ . 1]" 1
228 1 19 GLU QG 1 22 TYR QB 7.000 . 7.350 4.179 3.250 5.202 . 0 0 "[ . 1]" 1
229 1 20 GLN H 1 20 GLN HB2 4.000 . 4.200 2.463 2.387 2.529 . 0 0 "[ . 1]" 1
230 1 20 GLN H 1 20 GLN HB3 4.000 . 4.200 2.581 2.515 2.656 . 0 0 "[ . 1]" 1
231 1 20 GLN H 1 20 GLN HG2 5.000 . 5.250 4.561 4.450 4.611 . 0 0 "[ . 1]" 1
232 1 20 GLN H 1 20 GLN HG3 5.000 . 5.250 4.469 4.420 4.518 . 0 0 "[ . 1]" 1
233 1 20 GLN H 1 21 ASN H 4.000 . 4.200 2.732 2.631 2.794 . 0 0 "[ . 1]" 1
234 1 20 GLN H 1 22 TYR H 5.000 . 5.250 4.322 3.894 4.648 . 0 0 "[ . 1]" 1
235 1 20 GLN HA 1 21 ASN H 4.000 . 4.200 3.547 3.526 3.563 . 0 0 "[ . 1]" 1
236 1 20 GLN HA 1 23 HIS H 5.000 . 5.250 3.574 3.371 3.949 . 0 0 "[ . 1]" 1
237 1 20 GLN HA 1 23 HIS QB 6.000 . 6.300 2.722 2.361 3.203 . 0 0 "[ . 1]" 1
238 1 20 GLN HA 1 24 LEU H 5.000 . 5.250 3.920 3.502 4.134 . 0 0 "[ . 1]" 1
239 1 20 GLN HB3 1 20 GLN HE22 5.000 . 5.250 4.822 3.896 5.115 . 0 0 "[ . 1]" 1
240 1 20 GLN HB2 1 21 ASN H 5.000 . 5.250 3.812 3.691 3.908 . 0 0 "[ . 1]" 1
241 1 20 GLN HB3 1 21 ASN H 5.000 . 5.250 2.528 2.394 2.655 . 0 0 "[ . 1]" 1
242 1 20 GLN QB 1 21 ASN HA 5.600 . 5.880 4.099 4.012 4.206 . 0 0 "[ . 1]" 1
243 1 20 GLN HB2 1 21 ASN HD21 5.000 . 5.250 4.806 4.343 5.246 . 0 0 "[ . 1]" 1
244 1 20 GLN QB 1 21 ASN HD22 5.600 . 5.880 4.186 3.685 4.884 . 0 0 "[ . 1]" 1
245 1 20 GLN HB3 1 21 ASN HD21 5.000 . 5.250 3.132 2.622 3.573 . 0 0 "[ . 1]" 1
246 1 20 GLN HG2 1 21 ASN H 5.000 . 5.250 4.417 3.752 4.797 . 0 0 "[ . 1]" 1
247 1 20 GLN HG3 1 21 ASN H 5.000 . 5.250 4.105 3.719 4.815 . 0 0 "[ . 1]" 1
248 1 20 GLN QG 1 21 ASN HA 6.000 . 6.300 3.749 3.569 3.916 . 0 0 "[ . 1]" 1
249 1 20 GLN QG 1 21 ASN HD21 6.000 . 6.300 3.819 2.820 4.810 . 0 0 "[ . 1]" 1
250 1 20 GLN QG 1 21 ASN HD22 6.000 . 6.300 4.656 3.774 5.514 . 0 0 "[ . 1]" 1
251 1 20 GLN QG 1 23 HIS QB 7.000 . 7.350 4.198 3.519 4.721 . 0 0 "[ . 1]" 1
252 1 20 GLN HG2 1 24 LEU QB 6.000 . 6.300 5.045 2.914 6.097 . 0 0 "[ . 1]" 1
253 1 20 GLN HG3 1 24 LEU QB 6.000 . 6.300 4.259 3.385 5.297 . 0 0 "[ . 1]" 1
254 1 20 GLN HG2 1 24 LEU QD 7.400 . 7.770 3.249 2.174 4.409 . 0 0 "[ . 1]" 1
255 1 20 GLN HG3 1 24 LEU QD 7.400 . 7.770 2.766 2.161 3.759 . 0 0 "[ . 1]" 1
256 1 20 GLN QG 1 24 LEU QD 8.400 . 8.820 2.475 2.128 3.279 . 0 0 "[ . 1]" 1
257 1 20 GLN QE 1 24 LEU QD 8.400 . 8.820 3.217 2.335 4.141 . 0 0 "[ . 1]" 1
258 1 21 ASN H 1 21 ASN HB3 4.000 . 4.200 3.543 3.468 3.579 . 0 0 "[ . 1]" 1
259 1 21 ASN H 1 21 ASN HD21 5.000 . 5.250 2.357 2.118 2.708 . 0 0 "[ . 1]" 1
260 1 21 ASN H 1 22 TYR H 4.000 . 4.200 2.774 2.640 2.939 . 0 0 "[ . 1]" 1
261 1 21 ASN H 1 22 TYR QB 5.600 . 5.880 4.573 4.337 4.937 . 0 0 "[ . 1]" 1
262 1 21 ASN H 1 23 HIS H 5.000 . 5.250 4.129 3.978 4.312 . 0 0 "[ . 1]" 1
263 1 21 ASN HA 1 21 ASN HD22 5.000 . 5.250 3.680 3.288 4.148 . 0 0 "[ . 1]" 1
264 1 21 ASN HA 1 22 TYR H 5.000 . 5.250 3.551 3.504 3.577 . 0 0 "[ . 1]" 1
265 1 21 ASN HA 1 23 HIS H 5.000 . 5.250 4.477 4.368 4.566 . 0 0 "[ . 1]" 1
266 1 21 ASN HA 1 24 LEU H 5.000 . 5.250 3.530 3.178 3.960 . 0 0 "[ . 1]" 1
267 1 21 ASN HA 1 24 LEU HB2 5.000 . 5.250 2.952 2.313 4.198 . 0 0 "[ . 1]" 1
268 1 21 ASN HA 1 24 LEU HB3 5.000 . 5.250 4.069 2.744 4.741 . 0 0 "[ . 1]" 1
269 1 21 ASN HA 1 24 LEU QD 7.400 . 7.770 2.938 2.209 3.883 . 0 0 "[ . 1]" 1
270 1 21 ASN HB2 1 22 TYR H 4.000 . 4.200 2.654 2.434 2.836 . 0 0 "[ . 1]" 1
271 1 21 ASN HB3 1 22 TYR H 4.000 . 4.200 3.188 2.726 3.453 . 0 0 "[ . 1]" 1
272 1 21 ASN HB2 1 22 TYR HA 5.000 . 5.250 4.643 4.537 4.819 . 0 0 "[ . 1]" 1
273 1 21 ASN HB3 1 22 TYR HA 5.000 . 5.250 4.067 3.795 4.308 . 0 0 "[ . 1]" 1
274 1 21 ASN HB3 1 22 TYR QB 5.600 . 5.880 4.741 4.232 5.327 . 0 0 "[ . 1]" 1
275 1 21 ASN HB2 1 24 LEU QD 7.400 . 7.770 5.289 4.645 6.108 . 0 0 "[ . 1]" 1
276 1 21 ASN HB3 1 24 LEU QD 7.400 . 7.770 5.006 4.206 5.605 . 0 0 "[ . 1]" 1
277 1 21 ASN HD21 1 24 LEU QD 7.400 . 7.770 4.129 2.817 5.368 . 0 0 "[ . 1]" 1
278 1 22 TYR H 1 24 LEU H 5.000 . 5.250 4.196 3.953 4.380 . 0 0 "[ . 1]" 1
279 1 22 TYR HA 1 23 HIS H 5.000 . 5.250 3.532 3.500 3.553 . 0 0 "[ . 1]" 1
280 1 22 TYR HA 1 25 GLU H 4.000 . 4.200 3.564 3.305 3.772 . 0 0 "[ . 1]" 1
281 1 22 TYR HA 1 25 GLU HB2 5.000 . 5.250 3.037 2.493 3.782 . 0 0 "[ . 1]" 1
282 1 22 TYR HA 1 25 GLU HB3 5.000 . 5.250 3.614 2.456 4.651 . 0 0 "[ . 1]" 1
283 1 22 TYR HA 1 25 GLU QG 6.000 . 6.300 3.994 2.563 4.902 . 0 0 "[ . 1]" 1
284 1 22 TYR HA 1 26 ASN H 5.000 . 5.250 4.154 3.791 4.425 . 0 0 "[ . 1]" 1
285 1 22 TYR QB 1 23 HIS H 4.600 . 4.830 2.500 2.308 2.731 . 0 0 "[ . 1]" 1
286 1 23 HIS H 1 24 LEU H 5.000 . 5.250 2.677 2.565 2.778 . 0 0 "[ . 1]" 1
287 1 23 HIS HA 1 24 LEU H 5.000 . 5.250 3.545 3.518 3.559 . 0 0 "[ . 1]" 1
288 1 23 HIS HA 1 26 ASN H 4.000 . 4.200 3.700 3.421 4.119 . 0 0 "[ . 1]" 1
289 1 23 HIS HA 1 26 ASN HB2 5.000 . 5.250 3.766 2.499 5.218 . 0 0 "[ . 1]" 1
290 1 23 HIS HA 1 26 ASN HB3 5.000 . 5.250 4.214 2.838 5.265 0.015 7 0 "[ . 1]" 1
291 1 23 HIS HA 1 26 ASN QD 5.000 . 5.250 4.006 1.999 5.734 0.484 8 0 "[ . 1]" 1
292 1 23 HIS QB 1 24 LEU H 5.600 . 5.880 2.491 2.303 2.778 . 0 0 "[ . 1]" 1
293 1 23 HIS QB 1 24 LEU QB 6.200 . 6.510 4.214 3.570 4.570 . 0 0 "[ . 1]" 1
294 1 24 LEU H 1 24 LEU HG 5.000 . 5.250 2.815 2.263 4.492 . 0 0 "[ . 1]" 1
295 1 24 LEU H 1 26 ASN H 5.000 . 5.250 4.333 4.093 4.502 . 0 0 "[ . 1]" 1
296 1 24 LEU H 1 27 GLU HB2 5.000 . 5.250 4.977 4.417 5.545 0.295 6 0 "[ . 1]" 1
297 1 24 LEU H 1 27 GLU HB3 5.000 . 5.250 5.112 4.719 5.701 0.451 2 0 "[ . 1]" 1
298 1 24 LEU HA 1 25 GLU H 4.000 . 4.200 3.538 3.520 3.575 . 0 0 "[ . 1]" 1
299 1 24 LEU HA 1 26 ASN H 5.000 . 5.250 4.562 4.308 4.744 . 0 0 "[ . 1]" 1
300 1 24 LEU HA 1 27 GLU H 5.000 . 5.250 3.360 3.074 3.674 . 0 0 "[ . 1]" 1
301 1 24 LEU HA 1 27 GLU HB2 5.000 . 5.250 3.070 2.135 3.777 . 0 0 "[ . 1]" 1
302 1 24 LEU HA 1 27 GLU HB3 5.000 . 5.250 2.558 2.037 3.315 . 0 0 "[ . 1]" 1
303 1 24 LEU HA 1 27 GLU QG 6.000 . 6.300 4.087 3.550 4.655 . 0 0 "[ . 1]" 1
304 1 24 LEU HA 1 28 VAL H 5.000 . 5.250 3.667 3.388 4.020 . 0 0 "[ . 1]" 1
305 1 24 LEU HA 1 28 VAL HB 5.000 . 5.250 4.836 4.212 5.521 0.271 2 0 "[ . 1]" 1
306 1 24 LEU QB 1 25 GLU H 5.600 . 5.880 2.582 2.335 2.719 . 0 0 "[ . 1]" 1
307 1 24 LEU QB 1 25 GLU HA 5.600 . 5.880 3.928 3.803 4.162 . 0 0 "[ . 1]" 1
308 1 24 LEU QB 1 25 GLU QB 6.200 . 6.510 4.216 3.901 4.644 . 0 0 "[ . 1]" 1
309 1 24 LEU QB 1 27 GLU QB 7.000 . 7.350 4.047 3.750 4.660 . 0 0 "[ . 1]" 1
310 1 24 LEU HB2 1 28 VAL H 5.000 . 5.250 5.535 5.350 5.863 0.613 5 2 "[- + 1]" 1
311 1 24 LEU HB3 1 28 VAL H 5.000 . 5.250 4.725 4.364 5.385 0.135 1 0 "[ . 1]" 1
312 1 24 LEU HG 1 25 GLU H 5.000 . 5.250 4.422 3.972 4.728 . 0 0 "[ . 1]" 1
313 1 24 LEU QD 1 25 GLU H 7.400 . 7.770 4.013 3.289 4.182 . 0 0 "[ . 1]" 1
314 1 24 LEU QD 1 25 GLU HA 7.400 . 7.770 4.827 2.971 5.180 . 0 0 "[ . 1]" 1
315 1 24 LEU MD2 1 25 GLU H 6.000 . 6.300 4.515 3.357 4.692 . 0 0 "[ . 1]" 1
316 1 24 LEU QD 1 27 GLU QB 8.400 . 8.820 3.178 2.232 3.792 . 0 0 "[ . 1]" 1
317 1 25 GLU H 1 25 GLU HB2 4.000 . 4.200 2.423 2.267 2.537 . 0 0 "[ . 1]" 1
318 1 25 GLU H 1 25 GLU HB3 4.000 . 4.200 3.109 2.536 3.616 . 0 0 "[ . 1]" 1
319 1 25 GLU H 1 25 GLU HG2 5.000 . 5.250 3.891 2.669 4.513 . 0 0 "[ . 1]" 1
320 1 25 GLU H 1 25 GLU HG3 5.000 . 5.250 3.503 2.276 4.499 . 0 0 "[ . 1]" 1
321 1 25 GLU H 1 26 ASN H 4.000 . 4.200 2.808 2.680 2.937 . 0 0 "[ . 1]" 1
322 1 25 GLU H 1 26 ASN QB 5.600 . 5.880 4.742 4.397 5.276 . 0 0 "[ . 1]" 1
323 1 25 GLU H 1 27 GLU H 4.000 . 4.200 4.010 3.768 4.201 0.001 4 0 "[ . 1]" 1
324 1 25 GLU HA 1 26 ASN H 5.000 . 5.250 3.560 3.534 3.587 . 0 0 "[ . 1]" 1
325 1 25 GLU HA 1 27 GLU H 5.000 . 5.250 4.438 4.091 4.603 . 0 0 "[ . 1]" 1
326 1 25 GLU HA 1 28 VAL H 4.000 . 4.200 3.799 3.583 4.039 . 0 0 "[ . 1]" 1
327 1 25 GLU HA 1 28 VAL HB 5.000 . 5.250 4.121 3.078 4.698 . 0 0 "[ . 1]" 1
328 1 25 GLU HA 1 28 VAL QG 7.400 . 7.770 2.457 1.861 3.549 . 0 0 "[ . 1]" 1
329 1 25 GLU HA 1 29 ALA H 5.000 . 5.250 4.086 3.936 4.276 . 0 0 "[ . 1]" 1
330 1 25 GLU HB2 1 26 ASN H 4.000 . 4.200 3.102 2.328 3.782 . 0 0 "[ . 1]" 1
331 1 25 GLU HB3 1 26 ASN H 4.000 . 4.200 2.883 2.280 3.503 . 0 0 "[ . 1]" 1
332 1 25 GLU QG 1 26 ASN H 6.000 . 6.300 3.878 3.419 4.329 . 0 0 "[ . 1]" 1
333 1 25 GLU HG2 1 28 VAL QG 7.400 . 7.770 4.189 3.594 5.121 . 0 0 "[ . 1]" 1
334 1 25 GLU HG3 1 28 VAL QG 7.400 . 7.770 4.493 3.472 5.505 . 0 0 "[ . 1]" 1
335 1 26 ASN H 1 26 ASN HB2 4.000 . 4.200 2.665 2.284 3.662 . 0 0 "[ . 1]" 1
336 1 26 ASN H 1 26 ASN HB3 4.000 . 4.200 3.088 2.406 3.596 . 0 0 "[ . 1]" 1
337 1 26 ASN H 1 26 ASN QD 5.000 . 5.250 3.407 2.282 4.518 . 0 0 "[ . 1]" 1
338 1 26 ASN H 1 27 GLU H 4.000 . 4.200 2.590 2.464 2.679 . 0 0 "[ . 1]" 1
339 1 26 ASN H 1 27 GLU QB 4.600 . 4.830 4.325 4.170 4.459 . 0 0 "[ . 1]" 1
340 1 26 ASN H 1 28 VAL H 5.000 . 5.250 4.378 4.169 4.573 . 0 0 "[ . 1]" 1
341 1 26 ASN H 1 29 ALA MB 5.000 . 5.250 4.518 4.348 4.693 . 0 0 "[ . 1]" 1
342 1 26 ASN HA 1 27 GLU H 4.000 . 4.200 3.509 3.419 3.543 . 0 0 "[ . 1]" 1
343 1 26 ASN HA 1 29 ALA H 5.000 . 5.250 3.517 3.209 3.815 . 0 0 "[ . 1]" 1
344 1 26 ASN HA 1 29 ALA MB 6.000 . 6.300 2.454 2.026 2.772 . 0 0 "[ . 1]" 1
345 1 26 ASN HA 1 30 ARG H 5.000 . 5.250 4.070 3.744 4.410 . 0 0 "[ . 1]" 1
346 1 26 ASN HB2 1 27 GLU H 4.000 . 4.200 3.355 2.622 4.191 . 0 0 "[ . 1]" 1
347 1 26 ASN HB3 1 27 GLU H 4.000 . 4.200 3.395 2.617 4.168 . 0 0 "[ . 1]" 1
348 1 26 ASN QB 1 27 GLU HA 5.600 . 5.880 4.067 3.782 4.641 . 0 0 "[ . 1]" 1
349 1 26 ASN QD 1 27 GLU H 6.000 . 6.300 4.470 3.044 5.211 . 0 0 "[ . 1]" 1
350 1 27 GLU H 1 27 GLU HB2 4.000 . 4.200 2.388 2.071 2.539 . 0 0 "[ . 1]" 1
351 1 27 GLU H 1 27 GLU HB3 4.000 . 4.200 2.683 2.517 3.206 . 0 0 "[ . 1]" 1
352 1 27 GLU H 1 27 GLU HG2 5.000 . 5.250 4.516 4.408 4.616 . 0 0 "[ . 1]" 1
353 1 27 GLU H 1 27 GLU HG3 5.000 . 5.250 4.434 4.290 4.531 . 0 0 "[ . 1]" 1
354 1 27 GLU H 1 28 VAL H 4.000 . 4.200 2.745 2.591 2.863 . 0 0 "[ . 1]" 1
355 1 27 GLU H 1 28 VAL QG 7.400 . 7.770 4.006 3.794 4.244 . 0 0 "[ . 1]" 1
356 1 27 GLU H 1 29 ALA H 4.000 . 4.200 3.937 3.771 4.103 . 0 0 "[ . 1]" 1
357 1 27 GLU HA 1 28 VAL H 4.000 . 4.200 3.569 3.552 3.579 . 0 0 "[ . 1]" 1
358 1 27 GLU HA 1 29 ALA H 5.000 . 5.250 4.366 4.244 4.535 . 0 0 "[ . 1]" 1
359 1 27 GLU HA 1 29 ALA MB 6.000 . 6.300 4.793 4.584 4.952 . 0 0 "[ . 1]" 1
360 1 27 GLU HA 1 30 ARG H 5.000 . 5.250 3.514 3.307 3.826 . 0 0 "[ . 1]" 1
361 1 27 GLU HA 1 30 ARG QB 5.000 . 5.250 2.810 2.309 3.221 . 0 0 "[ . 1]" 1
362 1 27 GLU HA 1 31 LEU H 5.000 . 5.250 4.250 3.992 4.478 . 0 0 "[ . 1]" 1
363 1 27 GLU HA 1 31 LEU QB 6.000 . 6.300 4.977 4.569 5.447 . 0 0 "[ . 1]" 1
364 1 27 GLU HB2 1 28 VAL H 5.000 . 5.250 3.646 3.001 3.857 . 0 0 "[ . 1]" 1
365 1 27 GLU HB3 1 28 VAL H 5.000 . 5.250 2.437 2.179 2.689 . 0 0 "[ . 1]" 1
366 1 27 GLU QB 1 28 VAL HA 5.600 . 5.880 4.020 3.650 4.194 . 0 0 "[ . 1]" 1
367 1 27 GLU QB 1 28 VAL QG 8.000 . 8.400 3.727 2.895 4.044 . 0 0 "[ . 1]" 1
368 1 27 GLU QB 1 31 LEU QD 8.400 . 8.820 4.514 3.473 5.480 . 0 0 "[ . 1]" 1
369 1 27 GLU QG 1 28 VAL H 6.000 . 6.300 3.693 3.326 4.163 . 0 0 "[ . 1]" 1
370 1 27 GLU QG 1 30 ARG H 6.000 . 6.300 5.032 4.737 5.490 . 0 0 "[ . 1]" 1
371 1 28 VAL H 1 28 VAL HB 4.000 . 4.200 2.535 2.495 2.584 . 0 0 "[ . 1]" 1
372 1 28 VAL H 1 29 ALA H 5.000 . 5.250 2.606 2.531 2.690 . 0 0 "[ . 1]" 1
373 1 28 VAL H 1 29 ALA MB 6.000 . 6.300 4.289 4.229 4.356 . 0 0 "[ . 1]" 1
374 1 28 VAL H 1 30 ARG H 5.000 . 5.250 4.200 3.968 4.403 . 0 0 "[ . 1]" 1
375 1 28 VAL H 1 31 LEU QB 6.000 . 6.300 4.658 4.176 5.020 . 0 0 "[ . 1]" 1
376 1 28 VAL HA 1 29 ALA H 5.000 . 5.250 3.519 3.497 3.540 . 0 0 "[ . 1]" 1
377 1 28 VAL HA 1 31 LEU H 5.000 . 5.250 3.189 3.006 3.392 . 0 0 "[ . 1]" 1
378 1 28 VAL HA 1 31 LEU QB 5.000 . 5.250 2.360 1.954 2.637 . 0 0 "[ . 1]" 1
379 1 28 VAL HA 1 31 LEU QD 7.400 . 7.770 3.027 2.596 3.438 . 0 0 "[ . 1]" 1
380 1 28 VAL HA 1 32 LYS H 5.000 . 5.250 3.825 3.653 4.127 . 0 0 "[ . 1]" 1
381 1 28 VAL HA 1 32 LYS QG 6.000 . 6.300 4.630 4.373 5.011 . 0 0 "[ . 1]" 1
382 1 28 VAL HB 1 29 ALA H 4.000 . 4.200 3.722 2.631 4.040 . 0 0 "[ . 1]" 1
383 1 28 VAL QG 1 29 ALA H 7.400 . 7.770 2.456 2.169 3.218 . 0 0 "[ . 1]" 1
384 1 28 VAL QG 1 29 ALA HA 7.400 . 7.770 3.178 3.055 3.439 . 0 0 "[ . 1]" 1
385 1 28 VAL QG 1 29 ALA MB 8.400 . 8.820 3.291 2.983 3.987 . 0 0 "[ . 1]" 1
386 1 28 VAL QG 1 32 LYS H 7.400 . 7.770 3.528 3.297 3.905 . 0 0 "[ . 1]" 1
387 1 28 VAL QG 1 32 LYS QB 8.400 . 8.820 3.168 2.804 3.621 . 0 0 "[ . 1]" 1
388 1 28 VAL QG 1 32 LYS HG2 7.400 . 7.770 3.326 3.065 3.777 . 0 0 "[ . 1]" 1
389 1 28 VAL QG 1 32 LYS HG3 7.400 . 7.770 4.354 3.379 4.962 . 0 0 "[ . 1]" 1
390 1 28 VAL QG 1 32 LYS QD 8.400 . 8.820 3.236 2.315 4.697 . 0 0 "[ . 1]" 1
391 1 28 VAL QG 1 32 LYS HE2 7.400 . 7.770 3.675 2.827 5.808 . 0 0 "[ . 1]" 1
392 1 28 VAL QG 1 32 LYS HE3 7.400 . 7.770 4.657 4.211 5.378 . 0 0 "[ . 1]" 1
393 1 28 VAL QG 1 31 LEU QB 8.400 . 8.820 3.126 2.685 3.478 . 0 0 "[ . 1]" 1
394 1 28 VAL QG 1 32 LYS QG 8.400 . 8.820 3.207 2.901 3.666 . 0 0 "[ . 1]" 1
395 1 29 ALA H 1 30 ARG H 3.000 . 3.150 2.696 2.551 2.776 . 0 0 "[ . 1]" 1
396 1 29 ALA H 1 31 LEU H 4.000 . 4.200 4.049 3.792 4.303 0.103 5 0 "[ . 1]" 1
397 1 29 ALA H 1 32 LYS H 5.000 . 5.250 4.756 4.648 4.852 . 0 0 "[ . 1]" 1
398 1 29 ALA H 1 32 LYS QE 6.000 . 6.300 4.335 3.531 6.442 0.142 6 0 "[ . 1]" 1
399 1 29 ALA HA 1 30 ARG H 4.000 . 4.200 3.541 3.517 3.558 . 0 0 "[ . 1]" 1
400 1 29 ALA HA 1 31 LEU H 5.000 . 5.250 4.428 4.273 4.636 . 0 0 "[ . 1]" 1
401 1 29 ALA HA 1 32 LYS H 4.000 . 4.200 3.629 3.439 3.892 . 0 0 "[ . 1]" 1
402 1 29 ALA HA 1 32 LYS QB 6.000 . 6.300 4.106 3.828 4.555 . 0 0 "[ . 1]" 1
403 1 29 ALA HA 1 32 LYS QD 5.000 . 5.250 3.215 2.496 3.652 . 0 0 "[ . 1]" 1
404 1 29 ALA HA 1 33 LYS H 5.000 . 5.250 4.048 3.918 4.265 . 0 0 "[ . 1]" 1
405 1 29 ALA MB 1 30 ARG H 5.000 . 5.250 2.465 2.307 2.612 . 0 0 "[ . 1]" 1
406 1 29 ALA MB 1 30 ARG QB 6.600 . 6.930 4.011 3.665 4.244 . 0 0 "[ . 1]" 1
407 1 29 ALA MB 1 32 LYS QE 7.000 . 7.350 2.944 2.472 4.490 . 0 0 "[ . 1]" 1
408 1 29 ALA MB 1 33 LYS QB 6.000 . 6.300 4.059 3.848 4.287 . 0 0 "[ . 1]" 1
409 1 30 ARG H 1 30 ARG HB2 4.000 . 4.200 2.346 2.069 2.653 . 0 0 "[ . 1]" 1
410 1 30 ARG H 1 30 ARG HB3 4.000 . 4.200 3.181 2.366 3.589 . 0 0 "[ . 1]" 1
411 1 30 ARG H 1 30 ARG HG2 5.000 . 5.250 3.966 2.338 4.609 . 0 0 "[ . 1]" 1
412 1 30 ARG H 1 30 ARG HG3 5.000 . 5.250 3.820 2.279 4.505 . 0 0 "[ . 1]" 1
413 1 30 ARG H 1 30 ARG HD2 5.000 . 5.250 4.121 2.832 5.889 0.639 1 2 "[+- . 1]" 1
414 1 30 ARG H 1 30 ARG HD3 5.000 . 5.250 4.206 2.421 5.881 0.631 9 1 "[ . +1]" 1
415 1 30 ARG H 1 31 LEU H 4.000 . 4.200 2.648 2.458 2.793 . 0 0 "[ . 1]" 1
416 1 30 ARG H 1 31 LEU QB 5.600 . 5.880 4.377 4.156 4.576 . 0 0 "[ . 1]" 1
417 1 30 ARG H 1 32 LYS H 5.000 . 5.250 4.354 4.263 4.521 . 0 0 "[ . 1]" 1
418 1 30 ARG H 1 32 LYS QG 6.000 . 6.300 4.431 4.288 4.614 . 0 0 "[ . 1]" 1
419 1 30 ARG H 1 32 LYS QE 6.000 . 6.300 5.245 4.709 6.868 0.568 6 1 "[ .+ 1]" 1
420 1 30 ARG H 1 33 LYS QB 5.000 . 5.250 4.641 4.271 4.848 . 0 0 "[ . 1]" 1
421 1 30 ARG HA 1 31 LEU H 5.000 . 5.250 3.526 3.481 3.552 . 0 0 "[ . 1]" 1
422 1 30 ARG HA 1 33 LYS H 5.000 . 5.250 3.624 3.204 3.836 . 0 0 "[ . 1]" 1
423 1 30 ARG HA 1 33 LYS QB 5.000 . 5.250 2.681 1.990 3.038 . 0 0 "[ . 1]" 1
424 1 30 ARG HA 1 33 LYS QG 6.000 . 6.300 4.242 3.250 4.917 . 0 0 "[ . 1]" 1
425 1 30 ARG HA 1 33 LYS QD 6.000 . 6.300 4.765 3.296 5.796 . 0 0 "[ . 1]" 1
426 1 30 ARG HA 1 34 LEU H 5.000 . 5.250 4.149 3.994 4.296 . 0 0 "[ . 1]" 1
427 1 30 ARG HA 1 34 LEU HB2 5.000 . 5.250 4.809 4.527 5.132 . 0 0 "[ . 1]" 1
428 1 30 ARG HA 1 34 LEU HB3 5.000 . 5.250 5.753 5.511 6.067 0.817 3 4 "[ + * *-]" 1
429 1 30 ARG HB2 1 31 LEU H 5.000 . 5.250 3.124 2.623 4.010 . 0 0 "[ . 1]" 1
430 1 30 ARG HB3 1 31 LEU H 5.000 . 5.250 3.072 2.435 3.896 . 0 0 "[ . 1]" 1
431 1 30 ARG HB2 1 31 LEU QB 5.600 . 5.880 4.734 4.026 5.622 . 0 0 "[ . 1]" 1
432 1 30 ARG HB3 1 31 LEU QB 5.600 . 5.880 4.519 3.876 5.493 . 0 0 "[ . 1]" 1
433 1 30 ARG QB 1 34 LEU HB2 6.000 . 6.300 4.687 4.218 5.483 . 0 0 "[ . 1]" 1
434 1 30 ARG QB 1 34 LEU HB3 6.000 . 6.300 5.460 5.026 5.958 . 0 0 "[ . 1]" 1
435 1 30 ARG QB 1 34 LEU QB 7.000 . 7.350 4.423 4.040 5.066 . 0 0 "[ . 1]" 1
436 1 31 LEU H 1 31 LEU HG 5.000 . 5.250 4.247 3.909 4.483 . 0 0 "[ . 1]" 1
437 1 31 LEU H 1 32 LYS H 4.000 . 4.200 2.783 2.696 2.885 . 0 0 "[ . 1]" 1
438 1 31 LEU H 1 33 LYS H 4.000 . 4.200 3.964 3.709 4.075 . 0 0 "[ . 1]" 1
439 1 31 LEU H 1 34 LEU H 4.000 . 4.200 4.641 4.557 4.730 0.530 5 1 "[ + 1]" 1
440 1 31 LEU HA 1 33 LYS H 5.000 . 5.250 4.294 4.167 4.386 . 0 0 "[ . 1]" 1
441 1 31 LEU HA 1 34 LEU H 5.000 . 5.250 3.471 3.308 3.694 . 0 0 "[ . 1]" 1
442 1 31 LEU HA 1 34 LEU HB2 5.000 . 5.250 3.470 3.041 3.943 . 0 0 "[ . 1]" 1
443 1 31 LEU HA 1 34 LEU HB3 5.000 . 5.250 2.871 2.527 3.283 . 0 0 "[ . 1]" 1
444 1 31 LEU HA 1 34 LEU HG 5.000 . 5.250 4.993 4.397 5.384 0.134 1 0 "[ . 1]" 1
445 1 31 LEU HA 1 34 LEU QD 7.400 . 7.770 3.587 3.069 4.535 . 0 0 "[ . 1]" 1
446 1 31 LEU QB 1 32 LYS H 5.000 . 5.250 2.463 2.139 2.693 . 0 0 "[ . 1]" 1
447 1 31 LEU QB 1 32 LYS HA 5.600 . 5.880 3.914 3.748 4.136 . 0 0 "[ . 1]" 1
448 1 31 LEU QB 1 32 LYS QB 6.200 . 6.510 3.871 3.632 4.021 . 0 0 "[ . 1]" 1
449 1 31 LEU QB 1 32 LYS HG2 5.000 . 5.250 4.439 3.738 5.038 . 0 0 "[ . 1]" 1
450 1 31 LEU QB 1 32 LYS HG3 5.000 . 5.250 5.195 3.950 5.706 0.456 9 0 "[ . 1]" 1
451 1 31 LEU HG 1 32 LYS H 5.000 . 5.250 4.549 3.500 5.138 . 0 0 "[ . 1]" 1
452 1 31 LEU QD 1 32 LYS H 7.400 . 7.770 3.714 3.187 3.974 . 0 0 "[ . 1]" 1
453 1 31 LEU QD 1 32 LYS HA 7.400 . 7.770 4.219 3.020 5.157 . 0 0 "[ . 1]" 1
454 1 32 LYS H 1 32 LYS HG2 5.000 . 5.250 2.460 2.048 3.386 . 0 0 "[ . 1]" 1
455 1 32 LYS H 1 32 LYS HG3 5.000 . 5.250 3.078 1.921 3.547 . 0 0 "[ . 1]" 1
456 1 32 LYS H 1 32 LYS QD 5.000 . 5.250 3.821 3.434 4.099 . 0 0 "[ . 1]" 1
457 1 32 LYS H 1 32 LYS QE 6.000 . 6.300 4.361 4.141 4.602 . 0 0 "[ . 1]" 1
458 1 32 LYS H 1 33 LYS H 4.000 . 4.200 2.568 2.491 2.651 . 0 0 "[ . 1]" 1
459 1 32 LYS H 1 34 LEU H 4.000 . 4.200 4.049 3.856 4.188 . 0 0 "[ . 1]" 1
460 1 32 LYS H 1 35 VAL H 5.000 . 5.250 4.790 4.685 4.926 . 0 0 "[ . 1]" 1
461 1 32 LYS H 1 35 VAL QG 7.400 . 7.770 3.986 3.871 4.080 . 0 0 "[ . 1]" 1
462 1 32 LYS HA 1 33 LYS H 4.000 . 4.200 3.477 3.436 3.515 . 0 0 "[ . 1]" 1
463 1 32 LYS HA 1 35 VAL H 4.000 . 4.200 3.328 3.135 3.484 . 0 0 "[ . 1]" 1
464 1 32 LYS HA 1 35 VAL HB 4.000 . 4.200 4.117 3.856 4.461 0.261 1 0 "[ . 1]" 1
465 1 32 LYS HA 1 35 VAL QG 7.400 . 7.770 1.798 1.547 1.975 . 0 0 "[ . 1]" 1
466 1 32 LYS QB 1 35 VAL QG 8.400 . 8.820 3.224 2.998 3.408 . 0 0 "[ . 1]" 1
467 1 32 LYS QG 1 33 LYS H 6.000 . 6.300 2.531 2.232 2.736 . 0 0 "[ . 1]" 1
468 1 32 LYS QG 1 33 LYS QB 6.600 . 6.930 3.439 3.126 4.033 . 0 0 "[ . 1]" 1
469 1 32 LYS QD 1 33 LYS H 6.000 . 6.300 4.125 2.227 4.712 . 0 0 "[ . 1]" 1
470 1 32 LYS QD 1 33 LYS HA 6.000 . 6.300 4.830 2.718 5.706 . 0 0 "[ . 1]" 1
471 1 32 LYS QD 1 33 LYS QB 5.000 . 5.250 4.720 2.604 5.569 0.319 9 0 "[ . 1]" 1
472 1 32 LYS QE 1 33 LYS H 6.000 . 6.300 4.311 3.781 4.661 . 0 0 "[ . 1]" 1
473 1 32 LYS QE 1 33 LYS QD 7.000 . 7.350 5.104 4.377 6.087 . 0 0 "[ . 1]" 1
474 1 33 LYS H 1 33 LYS HA 3.000 . 3.150 2.853 2.822 2.886 . 0 0 "[ . 1]" 1
475 1 33 LYS H 1 33 LYS QB 3.000 . 3.150 2.251 2.162 2.298 . 0 0 "[ . 1]" 1
476 1 33 LYS H 1 33 LYS HG2 5.000 . 5.250 4.563 4.425 4.667 . 0 0 "[ . 1]" 1
477 1 33 LYS H 1 33 LYS HG3 5.000 . 5.250 4.468 4.316 4.551 . 0 0 "[ . 1]" 1
478 1 33 LYS H 1 35 VAL H 4.000 . 4.200 4.176 4.042 4.298 0.098 3 0 "[ . 1]" 1
479 1 33 LYS HA 1 36 GLY H 4.000 . 4.200 3.595 3.351 3.975 . 0 0 "[ . 1]" 1
480 1 33 LYS HA 1 37 GLU H 5.000 . 5.250 3.639 2.784 4.463 . 0 0 "[ . 1]" 1
481 1 33 LYS QB 1 34 LEU HA 5.600 . 5.880 4.090 3.819 4.260 . 0 0 "[ . 1]" 1
482 1 33 LYS QB 1 34 LEU QB 6.200 . 6.510 3.869 3.675 4.062 . 0 0 "[ . 1]" 1
483 1 33 LYS QG 1 34 LEU H 6.000 . 6.300 3.847 3.257 4.255 . 0 0 "[ . 1]" 1
484 1 33 LYS QG 1 34 LEU HA 6.000 . 6.300 3.922 3.280 4.469 . 0 0 "[ . 1]" 1
485 1 34 LEU H 1 34 LEU HA 3.000 . 3.150 2.838 2.800 2.874 . 0 0 "[ . 1]" 1
486 1 34 LEU H 1 34 LEU HB2 4.000 . 4.200 2.490 2.281 2.622 . 0 0 "[ . 1]" 1
487 1 34 LEU H 1 34 LEU HB3 4.000 . 4.200 2.529 2.387 2.799 . 0 0 "[ . 1]" 1
488 1 34 LEU H 1 34 LEU HG 5.000 . 5.250 4.483 4.412 4.575 . 0 0 "[ . 1]" 1
489 1 34 LEU H 1 35 VAL H 3.000 . 3.150 2.650 2.478 2.764 . 0 0 "[ . 1]" 1
490 1 34 LEU H 1 35 VAL QG 7.400 . 7.770 3.848 3.650 4.028 . 0 0 "[ . 1]" 1
491 1 34 LEU H 1 36 GLY H 4.000 . 4.200 3.825 3.618 4.078 . 0 0 "[ . 1]" 1
492 1 34 LEU HA 1 35 VAL H 4.000 . 4.200 3.562 3.535 3.574 . 0 0 "[ . 1]" 1
493 1 34 LEU HB2 1 35 VAL H 5.000 . 5.250 3.774 3.475 3.900 . 0 0 "[ . 1]" 1
494 1 34 LEU HB3 1 35 VAL H 5.000 . 5.250 2.480 2.358 2.629 . 0 0 "[ . 1]" 1
495 1 34 LEU QB 1 35 VAL HA 5.600 . 5.880 4.137 3.934 4.253 . 0 0 "[ . 1]" 1
496 1 34 LEU HG 1 35 VAL H 5.000 . 5.250 3.935 3.465 4.783 . 0 0 "[ . 1]" 1
497 1 34 LEU QD 1 35 VAL H 7.400 . 7.770 3.741 3.241 3.944 . 0 0 "[ . 1]" 1
498 1 34 LEU QD 1 35 VAL HB 7.400 . 7.770 4.300 3.619 4.757 . 0 0 "[ . 1]" 1
499 1 35 VAL H 1 35 VAL HB 4.000 . 4.200 2.621 2.564 2.756 . 0 0 "[ . 1]" 1
500 1 35 VAL H 1 36 GLY QA 4.600 . 4.830 4.375 4.297 4.453 . 0 0 "[ . 1]" 1
501 1 35 VAL HA 1 35 VAL HB 3.000 . 3.150 2.479 2.446 2.521 . 0 0 "[ . 1]" 1
502 1 35 VAL HA 1 36 GLY H 4.000 . 4.200 3.484 3.442 3.520 . 0 0 "[ . 1]" 1
503 1 35 VAL HB 1 36 GLY H 4.000 . 4.200 4.047 4.013 4.105 . 0 0 "[ . 1]" 1
504 1 35 VAL QG 1 36 GLY H 7.400 . 7.770 2.336 2.200 2.496 . 0 0 "[ . 1]" 1
505 1 35 VAL QG 1 37 GLU QB 8.400 . 8.820 5.318 4.622 6.065 . 0 0 "[ . 1]" 1
506 1 36 GLY HA2 1 37 GLU H 4.000 . 4.200 3.523 3.418 3.568 . 0 0 "[ . 1]" 1
507 1 36 GLY QA 1 37 GLU QB 6.200 . 6.510 4.032 3.623 4.525 . 0 0 "[ . 1]" 1
508 1 37 GLU H 1 37 GLU HA 3.000 . 3.150 2.519 2.258 2.934 . 0 0 "[ . 1]" 1
509 1 37 GLU H 1 37 GLU HB2 4.000 . 4.200 3.135 2.374 3.602 . 0 0 "[ . 1]" 1
510 1 37 GLU H 1 37 GLU HB3 4.000 . 4.200 3.801 2.907 4.097 . 0 0 "[ . 1]" 1
511 1 37 GLU HA 1 38 ARG H 3.000 . 3.150 2.650 2.125 3.028 . 0 0 "[ . 1]" 1
512 1 37 GLU HB2 1 38 ARG H 4.000 . 4.200 3.480 2.572 4.420 0.220 1 0 "[ . 1]" 1
513 1 37 GLU HB3 1 38 ARG H 4.000 . 4.200 2.613 1.773 4.407 0.207 6 0 "[ . 1]" 1
514 1 37 GLU QB 1 38 ARG HA 4.600 . 4.830 4.139 3.795 4.639 . 0 0 "[ . 1]" 1
515 1 37 GLU QG 1 38 ARG H 6.000 . 6.300 3.613 1.265 4.744 . 0 0 "[ . 1]" 1
516 1 38 ARG H 1 38 ARG HB2 4.000 . 4.200 2.915 2.597 3.497 . 0 0 "[ . 1]" 1
517 1 38 ARG H 1 38 ARG HB3 4.000 . 4.200 2.941 2.428 3.993 . 0 0 "[ . 1]" 1
518 1 10 VAL QG 2 14 ILE MG 8.400 . 8.820 4.380 2.635 5.591 . 0 0 "[ . 1]" 1
519 1 14 ILE HA 2 14 ILE MG 6.000 . 6.300 5.335 4.698 6.533 0.233 7 0 "[ . 1]" 1
520 1 14 ILE HA 2 17 LEU QD 7.400 . 7.770 4.099 3.240 5.392 . 0 0 "[ . 1]" 1
521 1 14 ILE MG 2 17 LEU QD 8.400 . 8.820 3.589 2.573 4.698 . 0 0 "[ . 1]" 1
522 1 17 LEU MD1 2 18 GLN QG 6.000 . 6.300 3.999 2.283 6.132 . 0 0 "[ . 1]" 1
523 1 17 LEU MD2 2 18 GLN QG 6.000 . 6.300 4.321 2.680 6.615 0.315 9 0 "[ . 1]" 1
524 1 17 LEU QD 2 18 GLN QG 8.400 . 8.820 3.591 2.163 5.166 . 0 0 "[ . 1]" 1
525 1 17 LEU QD 2 21 ASN HB2 7.400 . 7.770 4.531 3.260 5.417 . 0 0 "[ . 1]" 1
526 1 20 GLN QG 2 21 ASN HD22 6.000 . 6.300 5.116 3.554 6.280 . 0 0 "[ . 1]" 1
527 1 21 ASN HA 2 24 LEU QD 7.400 . 7.770 3.599 2.846 4.728 . 0 0 "[ . 1]" 1
528 1 24 LEU QB 2 24 LEU QD 8.400 . 8.820 2.482 1.825 3.887 . 0 0 "[ . 1]" 1
529 1 24 LEU QB 2 28 VAL QG 8.400 . 8.820 4.378 3.871 5.337 . 0 0 "[ . 1]" 1
530 1 24 LEU QD 2 24 LEU QD 9.800 . 10.290 2.390 1.926 3.040 . 0 0 "[ . 1]" 1
531 1 24 LEU QD 2 25 GLU HG2 7.400 . 7.770 4.171 2.549 5.437 . 0 0 "[ . 1]" 1
532 1 24 LEU QD 2 25 GLU HG3 7.400 . 7.770 4.066 2.818 5.561 . 0 0 "[ . 1]" 1
533 1 24 LEU QD 2 25 GLU HA 7.400 . 7.770 3.708 2.052 5.460 . 0 0 "[ . 1]" 1
534 1 24 LEU QD 2 28 VAL QG 9.800 . 10.290 3.019 1.614 4.196 . 0 0 "[ . 1]" 1
535 1 27 GLU HB2 2 28 VAL QG 7.400 . 7.770 5.366 3.925 6.753 . 0 0 "[ . 1]" 1
536 1 27 GLU HB3 2 28 VAL QG 7.400 . 7.770 4.180 2.818 5.598 . 0 0 "[ . 1]" 1
537 1 27 GLU QG 2 28 VAL MG1 7.000 . 7.350 4.924 2.692 6.316 . 0 0 "[ . 1]" 1
538 1 27 GLU QG 2 28 VAL MG2 7.000 . 7.350 3.896 2.336 4.861 . 0 0 "[ . 1]" 1
539 1 28 VAL HA 2 28 VAL QG 7.400 . 7.770 3.269 2.621 4.330 . 0 0 "[ . 1]" 1
540 1 28 VAL HA 2 31 LEU QD 7.400 . 7.770 4.245 3.303 5.075 . 0 0 "[ . 1]" 1
541 1 28 VAL HB 2 28 VAL QG 7.400 . 7.770 3.451 1.837 5.555 . 0 0 "[ . 1]" 1
542 1 28 VAL QG 2 28 VAL QG 9.800 . 10.290 2.552 1.985 3.553 . 0 0 "[ . 1]" 1
543 1 28 VAL QG 2 31 LEU QB 8.400 . 8.820 3.981 3.446 4.679 . 0 0 "[ . 1]" 1
544 1 28 VAL QG 2 31 LEU MD1 8.400 . 8.820 4.171 2.942 5.665 . 0 0 "[ . 1]" 1
545 1 28 VAL QG 2 31 LEU MD2 8.400 . 8.820 3.124 2.062 4.646 . 0 0 "[ . 1]" 1
546 1 31 LEU HA 2 35 VAL QG 7.400 . 7.770 5.159 3.574 7.179 . 0 0 "[ . 1]" 1
547 1 31 LEU QB 2 31 LEU QD 8.400 . 8.820 2.911 1.690 3.849 . 0 0 "[ . 1]" 1
548 1 31 LEU HG 2 32 LYS QB 6.000 . 6.300 4.156 2.791 5.332 . 0 0 "[ . 1]" 1
549 1 31 LEU HG 2 35 VAL QG 6.000 . 6.300 4.207 3.029 5.484 . 0 0 "[ . 1]" 1
550 1 31 LEU QD 2 32 LYS HA 7.400 . 7.770 2.948 2.142 4.062 . 0 0 "[ . 1]" 1
551 1 31 LEU QD 2 32 LYS QG 7.400 . 7.770 3.364 2.168 4.317 . 0 0 "[ . 1]" 1
552 1 31 LEU QD 2 32 LYS QD 8.400 . 8.820 3.772 2.881 4.978 . 0 0 "[ . 1]" 1
553 1 31 LEU QD 2 32 LYS HE2 7.400 . 7.770 5.163 4.340 5.934 . 0 0 "[ . 1]" 1
554 1 31 LEU QD 2 32 LYS HE3 7.400 . 7.770 5.392 3.253 6.155 . 0 0 "[ . 1]" 1
555 1 31 LEU QD 2 35 VAL HB 7.400 . 7.770 4.934 3.116 7.409 . 0 0 "[ . 1]" 1
556 1 31 LEU QD 2 35 VAL QG 8.400 . 8.820 3.331 2.311 4.999 . 0 0 "[ . 1]" 1
557 1 31 LEU QD 2 32 LYS QB 8.400 . 8.820 2.271 1.728 2.890 . 0 0 "[ . 1]" 1
558 1 31 LEU QD 2 32 LYS QE 8.400 . 8.820 4.650 3.166 5.251 . 0 0 "[ . 1]" 1
559 1 34 LEU QB 2 35 VAL QG 8.400 . 8.820 4.422 2.810 6.470 . 0 0 "[ . 1]" 1
560 1 34 LEU HG 2 35 VAL QG 7.400 . 7.770 4.376 2.216 6.568 . 0 0 "[ . 1]" 1
561 1 34 LEU QD 2 35 VAL HB 7.400 . 7.770 5.907 4.062 8.319 0.549 9 1 "[ . +1]" 1
562 1 34 LEU QD 2 35 VAL QG 9.800 . 10.290 3.625 2.019 5.542 . 0 0 "[ . 1]" 1
563 1 35 VAL HA 2 35 VAL HB 5.000 . 5.250 5.100 4.015 7.421 2.171 9 2 "[ .- +1]" 1
564 1 35 VAL HA 2 35 VAL QG 7.400 . 7.770 3.396 2.641 5.089 . 0 0 "[ . 1]" 1
565 1 35 VAL HB 2 35 VAL QG 6.000 . 6.300 2.862 2.126 4.261 . 0 0 "[ . 1]" 1
566 1 14 ILE MG 2 10 VAL QG 8.400 . 8.820 4.542 3.818 5.296 . 0 0 "[ . 1]" 1
567 1 14 ILE MG 2 14 ILE HA 6.000 . 6.300 5.116 3.824 6.730 0.430 7 0 "[ . 1]" 1
568 1 17 LEU QD 2 14 ILE HA 7.400 . 7.770 4.535 3.949 5.669 . 0 0 "[ . 1]" 1
569 1 17 LEU QD 2 14 ILE MG 8.400 . 8.820 4.090 3.440 4.872 . 0 0 "[ . 1]" 1
570 1 18 GLN HG3 2 17 LEU MD1 6.000 . 6.300 4.114 2.455 5.719 . 0 0 "[ . 1]" 1
571 1 18 GLN HG2 2 17 LEU MD2 6.000 . 6.300 4.078 2.395 5.704 . 0 0 "[ . 1]" 1
572 1 18 GLN QG 2 17 LEU QD 8.400 . 8.820 3.308 1.892 4.531 . 0 0 "[ . 1]" 1
573 1 21 ASN HB2 2 17 LEU QD 7.400 . 7.770 4.370 2.830 5.527 . 0 0 "[ . 1]" 1
574 1 21 ASN HD22 2 20 GLN QG 6.000 . 6.300 5.004 3.294 6.987 0.687 4 1 "[ +. 1]" 1
575 1 24 LEU QD 2 21 ASN HA 7.400 . 7.770 3.531 2.699 4.775 . 0 0 "[ . 1]" 1
576 1 24 LEU QD 2 24 LEU QB 8.400 . 8.820 2.654 1.825 4.029 . 0 0 "[ . 1]" 1
577 1 28 VAL QG 2 24 LEU QB 8.400 . 8.820 3.915 3.158 4.754 . 0 0 "[ . 1]" 1
578 1 25 GLU HG2 2 24 LEU QD 7.400 . 7.770 4.353 2.467 6.182 . 0 0 "[ . 1]" 1
579 1 25 GLU HG3 2 24 LEU QD 7.400 . 7.770 4.008 2.567 5.392 . 0 0 "[ . 1]" 1
580 1 25 GLU HA 2 24 LEU QD 7.400 . 7.770 3.600 2.698 4.386 . 0 0 "[ . 1]" 1
581 1 28 VAL QG 2 24 LEU QD 9.800 . 10.290 2.738 1.977 3.469 . 0 0 "[ . 1]" 1
582 1 28 VAL QG 2 27 GLU QB 7.400 . 7.770 3.728 2.265 4.613 . 0 0 "[ . 1]" 1
583 1 28 VAL MG1 2 27 GLU QG 7.000 . 7.350 5.243 3.680 7.314 . 0 0 "[ . 1]" 1
584 1 28 VAL MG2 2 27 GLU QG 7.000 . 7.350 4.289 2.558 5.974 . 0 0 "[ . 1]" 1
585 1 28 VAL QG 2 28 VAL HA 7.400 . 7.770 3.333 2.353 4.311 . 0 0 "[ . 1]" 1
586 1 31 LEU QD 2 28 VAL HA 7.400 . 7.770 3.427 2.417 4.489 . 0 0 "[ . 1]" 1
587 1 28 VAL QG 2 28 VAL HB 7.400 . 7.770 3.234 2.087 5.705 . 0 0 "[ . 1]" 1
588 1 31 LEU QB 2 28 VAL QG 8.400 . 8.820 3.506 3.028 4.261 . 0 0 "[ . 1]" 1
589 1 31 LEU MD1 2 28 VAL QG 8.400 . 8.820 3.311 1.898 4.380 . 0 0 "[ . 1]" 1
590 1 31 LEU MD2 2 28 VAL QG 8.400 . 8.820 2.672 2.036 3.963 . 0 0 "[ . 1]" 1
591 1 35 VAL QG 2 31 LEU HA 7.400 . 7.770 4.536 3.808 5.748 . 0 0 "[ . 1]" 1
592 1 31 LEU QD 2 31 LEU QB 8.400 . 8.820 2.659 1.747 3.999 . 0 0 "[ . 1]" 1
593 1 32 LYS QB 2 31 LEU HG 6.000 . 6.300 4.893 3.868 5.745 . 0 0 "[ . 1]" 1
594 1 35 VAL MG1 2 31 LEU HG 6.000 . 6.300 3.444 2.776 4.912 . 0 0 "[ . 1]" 1
595 1 35 VAL MG2 2 31 LEU HG 6.000 . 6.300 4.372 3.055 5.506 . 0 0 "[ . 1]" 1
596 1 32 LYS HA 2 31 LEU QD 7.400 . 7.770 2.844 2.230 4.074 . 0 0 "[ . 1]" 1
597 1 32 LYS HG2 2 31 LEU QD 7.400 . 7.770 4.392 3.473 5.095 . 0 0 "[ . 1]" 1
598 1 32 LYS HG3 2 31 LEU QD 7.400 . 7.770 4.840 3.704 5.427 . 0 0 "[ . 1]" 1
599 1 32 LYS QD 2 31 LEU QD 8.400 . 8.820 4.212 3.274 5.955 . 0 0 "[ . 1]" 1
600 1 32 LYS HE2 2 31 LEU QD 7.400 . 7.770 5.816 5.034 6.596 . 0 0 "[ . 1]" 1
601 1 32 LYS HE3 2 31 LEU QD 7.400 . 7.770 6.178 5.525 6.730 . 0 0 "[ . 1]" 1
602 1 35 VAL HB 2 31 LEU QD 7.400 . 7.770 4.003 2.736 5.721 . 0 0 "[ . 1]" 1
603 1 35 VAL MG1 2 31 LEU QD 8.400 . 8.820 2.481 1.535 3.882 . 0 0 "[ . 1]" 1
604 1 35 VAL MG2 2 31 LEU QD 8.400 . 8.820 3.595 2.249 4.902 . 0 0 "[ . 1]" 1
605 1 32 LYS QB 2 31 LEU QD 8.400 . 8.820 2.629 1.878 3.517 . 0 0 "[ . 1]" 1
606 1 32 LYS QE 2 31 LEU QD 8.400 . 8.820 5.321 4.668 5.934 . 0 0 "[ . 1]" 1
607 1 35 VAL QG 2 34 LEU QB 8.400 . 8.820 4.364 3.259 6.163 . 0 0 "[ . 1]" 1
608 1 35 VAL QG 2 34 LEU HG 7.400 . 7.770 5.229 3.330 7.756 . 0 0 "[ . 1]" 1
609 1 35 VAL HB 2 34 LEU QD 7.400 . 7.770 6.110 4.339 8.457 0.687 9 1 "[ . +1]" 1
610 1 35 VAL QG 2 34 LEU QD 9.800 . 10.290 3.805 2.131 5.624 . 0 0 "[ . 1]" 1
611 1 35 VAL HB 2 35 VAL HA 5.000 . 5.250 5.593 3.688 8.397 3.147 9 4 "[ .* *+-]" 1
612 1 35 VAL QG 2 35 VAL HA 7.400 . 7.770 3.791 2.632 5.529 . 0 0 "[ . 1]" 1
613 1 35 VAL MG1 2 35 VAL HB 6.000 . 6.300 4.208 3.035 5.476 . 0 0 "[ . 1]" 1
614 1 35 VAL MG2 2 35 VAL HB 6.000 . 6.300 2.809 1.980 3.874 . 0 0 "[ . 1]" 1
615 2 2 ALA HA 2 3 GLY H 5.000 . 5.250 2.384 2.116 2.977 . 0 0 "[ . 1]" 1
616 2 2 ALA HA 2 3 GLY QA 5.600 . 5.880 3.979 3.884 4.234 . 0 0 "[ . 1]" 1
617 2 3 GLY QA 2 4 SER H 5.600 . 5.880 2.337 2.116 2.795 . 0 0 "[ . 1]" 1
618 2 3 GLY QA 2 5 SER H 6.000 . 6.300 3.707 2.963 4.811 . 0 0 "[ . 1]" 1
619 2 3 GLY QA 2 7 LEU QD 8.400 . 8.820 4.651 2.280 5.952 . 0 0 "[ . 1]" 1
620 2 4 SER H 2 5 SER HA 5.000 . 5.250 5.038 4.552 5.325 0.075 3 0 "[ . 1]" 1
621 2 4 SER H 2 5 SER QB 5.600 . 5.880 4.852 4.523 5.363 . 0 0 "[ . 1]" 1
622 2 4 SER H 2 6 SER H 5.000 . 5.250 4.578 2.942 6.794 1.544 8 2 "[ - . + 1]" 1
623 2 4 SER HA 2 5 SER H 5.000 . 5.250 3.207 2.185 3.554 . 0 0 "[ . 1]" 1
624 2 4 SER HA 2 7 LEU H 5.000 . 5.250 3.745 2.980 5.945 0.695 9 1 "[ . +1]" 1
625 2 4 SER HA 2 8 GLU H 5.000 . 5.250 4.009 3.220 4.798 . 0 0 "[ . 1]" 1
626 2 4 SER HB2 2 7 LEU QD 7.400 . 7.770 4.602 2.749 7.319 . 0 0 "[ . 1]" 1
627 2 4 SER HB3 2 7 LEU QD 7.400 . 7.770 4.151 2.136 6.728 . 0 0 "[ . 1]" 1
628 2 4 SER QB 2 8 GLU H 6.000 . 6.300 4.245 2.285 5.907 . 0 0 "[ . 1]" 1
629 2 4 SER QB 2 8 GLU QB 7.000 . 7.350 4.263 2.376 6.727 . 0 0 "[ . 1]" 1
630 2 5 SER HA 2 6 SER H 5.000 . 5.250 3.537 3.487 3.571 . 0 0 "[ . 1]" 1
631 2 5 SER HA 2 8 GLU H 5.000 . 5.250 4.392 3.472 5.712 0.462 9 0 "[ . 1]" 1
632 2 5 SER QB 2 6 SER HA 5.600 . 5.880 3.900 3.766 4.147 . 0 0 "[ . 1]" 1
633 2 5 SER QB 2 9 ALA MB 7.000 . 7.350 4.455 3.536 5.167 . 0 0 "[ . 1]" 1
634 2 6 SER H 2 7 LEU H 5.000 . 5.250 2.564 2.359 2.777 . 0 0 "[ . 1]" 1
635 2 6 SER H 2 7 LEU QB 4.600 . 4.830 4.275 4.156 4.403 . 0 0 "[ . 1]" 1
636 2 6 SER HA 2 7 LEU H 4.000 . 4.200 3.514 3.434 3.567 . 0 0 "[ . 1]" 1
637 2 6 SER HA 2 9 ALA MB 6.000 . 6.300 3.003 2.590 3.788 . 0 0 "[ . 1]" 1
638 2 6 SER QB 2 7 LEU H 4.600 . 4.830 2.734 2.269 3.561 . 0 0 "[ . 1]" 1
639 2 6 SER HB2 2 9 ALA MB 6.000 . 6.300 5.253 4.665 5.985 . 0 0 "[ . 1]" 1
640 2 6 SER HB3 2 9 ALA MB 6.000 . 6.300 4.844 4.125 5.749 . 0 0 "[ . 1]" 1
641 2 6 SER HB2 2 10 VAL QG 7.400 . 7.770 4.037 3.098 4.694 . 0 0 "[ . 1]" 1
642 2 6 SER HB3 2 10 VAL QG 7.400 . 7.770 3.719 2.618 4.719 . 0 0 "[ . 1]" 1
643 2 7 LEU H 2 7 LEU HB2 4.000 . 4.200 2.408 2.100 2.614 . 0 0 "[ . 1]" 1
644 2 7 LEU H 2 7 LEU HB3 4.000 . 4.200 2.696 2.453 3.571 . 0 0 "[ . 1]" 1
645 2 7 LEU H 2 7 LEU HG 5.000 . 5.250 4.169 2.158 4.498 . 0 0 "[ . 1]" 1
646 2 7 LEU H 2 9 ALA H 5.000 . 5.250 4.294 4.127 4.531 . 0 0 "[ . 1]" 1
647 2 7 LEU HA 2 10 VAL H 5.000 . 5.250 4.181 3.673 4.562 . 0 0 "[ . 1]" 1
648 2 7 LEU HA 2 10 VAL HB 4.000 . 4.200 3.786 2.733 5.368 1.168 7 1 "[ . + 1]" 1
649 2 7 LEU HA 2 10 VAL MG1 6.000 . 6.300 4.646 2.850 5.425 . 0 0 "[ . 1]" 1
650 2 7 LEU HA 2 10 VAL MG2 6.000 . 6.300 4.173 3.301 5.446 . 0 0 "[ . 1]" 1
651 2 7 LEU HA 2 11 ARG H 5.000 . 5.250 4.116 3.774 4.792 . 0 0 "[ . 1]" 1
652 2 7 LEU HB2 2 8 GLU H 5.000 . 5.250 3.468 2.061 3.771 . 0 0 "[ . 1]" 1
653 2 7 LEU HB3 2 8 GLU H 5.000 . 5.250 2.329 2.125 2.990 . 0 0 "[ . 1]" 1
654 2 7 LEU QB 2 8 GLU HA 5.600 . 5.880 3.935 3.599 4.067 . 0 0 "[ . 1]" 1
655 2 7 LEU HG 2 8 GLU H 5.000 . 5.250 3.871 3.207 4.995 . 0 0 "[ . 1]" 1
656 2 7 LEU HG 2 10 VAL QG 7.400 . 7.770 5.478 4.520 6.211 . 0 0 "[ . 1]" 1
657 2 7 LEU HG 2 11 ARG H 5.000 . 5.250 5.254 4.422 7.085 1.835 1 2 "[+- . 1]" 1
658 2 7 LEU QD 2 8 GLU H 7.400 . 7.770 3.489 3.007 3.780 . 0 0 "[ . 1]" 1
659 2 7 LEU QD 2 8 GLU QB 8.000 . 8.400 4.166 3.392 4.753 . 0 0 "[ . 1]" 1
660 2 7 LEU QD 2 11 ARG H 7.400 . 7.770 4.262 3.310 5.237 . 0 0 "[ . 1]" 1
661 2 7 LEU QD 2 11 ARG HB2 7.400 . 7.770 3.524 2.594 4.491 . 0 0 "[ . 1]" 1
662 2 7 LEU QD 2 11 ARG HB3 7.400 . 7.770 4.388 3.439 5.237 . 0 0 "[ . 1]" 1
663 2 8 GLU H 2 8 GLU HB2 4.000 . 4.200 2.447 2.138 2.591 . 0 0 "[ . 1]" 1
664 2 8 GLU H 2 8 GLU HB3 4.000 . 4.200 2.997 2.437 3.577 . 0 0 "[ . 1]" 1
665 2 8 GLU H 2 9 ALA H 4.000 . 4.200 2.705 2.552 2.961 . 0 0 "[ . 1]" 1
666 2 8 GLU H 2 10 VAL H 5.000 . 5.250 4.485 4.313 4.619 . 0 0 "[ . 1]" 1
667 2 8 GLU H 2 11 ARG QB 5.000 . 5.250 4.710 4.305 5.775 0.525 2 1 "[ + . 1]" 1
668 2 8 GLU HA 2 9 ALA H 5.000 . 5.250 3.537 3.502 3.569 . 0 0 "[ . 1]" 1
669 2 8 GLU HA 2 11 ARG H 4.000 . 4.200 3.785 3.566 4.342 0.142 8 0 "[ . 1]" 1
670 2 8 GLU HA 2 11 ARG QB 6.000 . 6.300 2.789 2.258 3.615 . 0 0 "[ . 1]" 1
671 2 8 GLU HA 2 11 ARG QG 6.000 . 6.300 4.281 2.872 5.650 . 0 0 "[ . 1]" 1
672 2 8 GLU HA 2 11 ARG QD 6.000 . 6.300 4.261 2.868 5.673 . 0 0 "[ . 1]" 1
673 2 8 GLU HA 2 12 ARG H 5.000 . 5.250 3.998 3.446 4.540 . 0 0 "[ . 1]" 1
674 2 8 GLU HA 2 12 ARG QB 6.000 . 6.300 4.507 3.745 5.171 . 0 0 "[ . 1]" 1
675 2 8 GLU HB2 2 9 ALA H 5.000 . 5.250 3.261 2.249 3.954 . 0 0 "[ . 1]" 1
676 2 8 GLU HB3 2 9 ALA H 5.000 . 5.250 2.962 2.409 3.672 . 0 0 "[ . 1]" 1
677 2 9 ALA HA 2 10 VAL H 5.000 . 5.250 3.566 3.555 3.577 . 0 0 "[ . 1]" 1
678 2 9 ALA HA 2 12 ARG H 4.000 . 4.200 4.004 3.650 4.315 0.115 1 0 "[ . 1]" 1
679 2 9 ALA HA 2 12 ARG QB 5.000 . 5.250 3.399 2.912 4.167 . 0 0 "[ . 1]" 1
680 2 9 ALA HA 2 13 LYS H 4.000 . 4.200 4.466 4.114 4.887 0.687 9 2 "[- . +1]" 1
681 2 9 ALA MB 2 10 VAL H 5.000 . 5.250 2.316 2.231 2.447 . 0 0 "[ . 1]" 1
682 2 9 ALA MB 2 10 VAL QG 8.400 . 8.820 2.935 2.715 3.489 . 0 0 "[ . 1]" 1
683 2 10 VAL H 2 10 VAL HB 4.000 . 4.200 2.541 2.515 2.626 . 0 0 "[ . 1]" 1
684 2 10 VAL H 2 11 ARG H 4.000 . 4.200 2.659 2.504 2.770 . 0 0 "[ . 1]" 1
685 2 10 VAL H 2 12 ARG H 5.000 . 5.250 4.385 4.217 4.657 . 0 0 "[ . 1]" 1
686 2 10 VAL HA 2 11 ARG H 5.000 . 5.250 3.541 3.504 3.572 . 0 0 "[ . 1]" 1
687 2 10 VAL HA 2 13 LYS H 4.000 . 4.200 3.593 3.416 3.804 . 0 0 "[ . 1]" 1
688 2 10 VAL HA 2 13 LYS QB 5.000 . 5.250 2.843 2.282 3.264 . 0 0 "[ . 1]" 1
689 2 10 VAL HA 2 14 ILE H 5.000 . 5.250 3.981 3.621 4.316 . 0 0 "[ . 1]" 1
690 2 10 VAL HB 2 11 ARG H 4.000 . 4.200 2.704 2.386 3.963 . 0 0 "[ . 1]" 1
691 2 10 VAL QG 2 11 ARG H 7.400 . 7.770 3.066 2.115 3.289 . 0 0 "[ . 1]" 1
692 2 10 VAL QG 2 14 ILE H 7.400 . 7.770 3.684 3.502 3.872 . 0 0 "[ . 1]" 1
693 2 10 VAL QG 2 14 ILE QG 8.400 . 8.820 2.769 2.303 3.134 . 0 0 "[ . 1]" 1
694 2 10 VAL MG2 2 11 ARG H 6.000 . 6.300 3.786 3.627 3.871 . 0 0 "[ . 1]" 1
695 2 11 ARG H 2 11 ARG HB2 4.000 . 4.200 2.452 2.193 2.659 . 0 0 "[ . 1]" 1
696 2 11 ARG H 2 11 ARG HB3 4.000 . 4.200 2.699 2.476 3.590 . 0 0 "[ . 1]" 1
697 2 11 ARG H 2 13 LYS H 5.000 . 5.250 4.181 3.922 4.457 . 0 0 "[ . 1]" 1
698 2 11 ARG H 2 14 ILE HG12 5.000 . 5.250 4.780 4.252 5.298 0.048 2 0 "[ . 1]" 1
699 2 11 ARG H 2 14 ILE HG13 5.000 . 5.250 4.939 4.293 5.993 0.743 4 2 "[ -+. 1]" 1
700 2 11 ARG H 2 14 ILE MD 6.000 . 6.300 4.915 4.259 5.481 . 0 0 "[ . 1]" 1
701 2 11 ARG HA 2 12 ARG H 4.000 . 4.200 3.556 3.537 3.586 . 0 0 "[ . 1]" 1
702 2 11 ARG HA 2 14 ILE H 5.000 . 5.250 3.892 3.693 4.278 . 0 0 "[ . 1]" 1
703 2 11 ARG HA 2 14 ILE HB 5.000 . 5.250 5.253 4.957 5.662 0.412 4 0 "[ . 1]" 1
704 2 11 ARG HA 2 14 ILE MG 6.000 . 6.300 4.196 3.843 4.444 . 0 0 "[ . 1]" 1
705 2 11 ARG HA 2 14 ILE MD 6.000 . 6.300 2.684 2.168 3.173 . 0 0 "[ . 1]" 1
706 2 11 ARG QB 2 12 ARG H 4.600 . 4.830 2.402 2.199 2.566 . 0 0 "[ . 1]" 1
707 2 11 ARG QB 2 12 ARG HA 5.600 . 5.880 3.998 3.687 4.201 . 0 0 "[ . 1]" 1
708 2 11 ARG HB2 2 14 ILE MD 6.000 . 6.300 4.553 3.979 5.097 . 0 0 "[ . 1]" 1
709 2 11 ARG HB3 2 14 ILE MD 6.000 . 6.300 4.930 3.590 5.557 . 0 0 "[ . 1]" 1
710 2 11 ARG QG 2 12 ARG H 6.000 . 6.300 3.632 3.068 4.188 . 0 0 "[ . 1]" 1
711 2 11 ARG QG 2 12 ARG HA 6.000 . 6.300 3.921 3.118 5.620 . 0 0 "[ . 1]" 1
712 2 11 ARG QG 2 14 ILE HG12 6.000 . 6.300 4.663 3.873 5.342 . 0 0 "[ . 1]" 1
713 2 11 ARG QG 2 14 ILE HG13 6.000 . 6.300 4.353 3.792 5.180 . 0 0 "[ . 1]" 1
714 2 11 ARG HG2 2 14 ILE MD 6.000 . 6.300 4.331 2.571 5.715 . 0 0 "[ . 1]" 1
715 2 11 ARG HG3 2 14 ILE MD 6.000 . 6.300 3.975 2.995 5.251 . 0 0 "[ . 1]" 1
716 2 11 ARG QD 2 12 ARG H 6.000 . 6.300 4.461 3.097 5.142 . 0 0 "[ . 1]" 1
717 2 11 ARG QD 2 15 ARG H 6.000 . 6.300 5.793 4.002 7.199 0.899 7 3 "[ * . + -1]" 1
718 2 12 ARG H 2 12 ARG HG2 5.000 . 5.250 4.472 4.271 4.591 . 0 0 "[ . 1]" 1
719 2 12 ARG H 2 12 ARG HG3 5.000 . 5.250 4.433 4.330 4.512 . 0 0 "[ . 1]" 1
720 2 12 ARG H 2 13 LYS H 5.000 . 5.250 2.656 2.486 2.810 . 0 0 "[ . 1]" 1
721 2 12 ARG H 2 15 ARG QB 6.000 . 6.300 4.844 4.304 5.442 . 0 0 "[ . 1]" 1
722 2 12 ARG HA 2 13 LYS H 5.000 . 5.250 3.527 3.489 3.569 . 0 0 "[ . 1]" 1
723 2 12 ARG HA 2 15 ARG H 4.000 . 4.200 3.812 3.500 4.240 0.040 3 0 "[ . 1]" 1
724 2 12 ARG HA 2 15 ARG QB 5.000 . 5.250 2.931 2.323 4.219 . 0 0 "[ . 1]" 1
725 2 12 ARG HA 2 15 ARG QG 6.000 . 6.300 4.027 2.570 5.289 . 0 0 "[ . 1]" 1
726 2 12 ARG HA 2 15 ARG QD 6.000 . 6.300 4.356 2.663 5.422 . 0 0 "[ . 1]" 1
727 2 12 ARG QB 2 13 LYS H 5.600 . 5.880 2.605 2.383 2.787 . 0 0 "[ . 1]" 1
728 2 12 ARG QB 2 13 LYS HA 5.600 . 5.880 4.019 3.791 4.229 . 0 0 "[ . 1]" 1
729 2 12 ARG QB 2 16 SER QB 7.000 . 7.350 5.642 4.892 6.204 . 0 0 "[ . 1]" 1
730 2 12 ARG HG2 2 16 SER QB 6.000 . 6.300 5.092 3.922 6.344 0.044 5 0 "[ . 1]" 1
731 2 12 ARG HG3 2 16 SER QB 6.000 . 6.300 5.270 4.482 6.270 . 0 0 "[ . 1]" 1
732 2 13 LYS H 2 13 LYS HB2 4.000 . 4.200 2.433 2.172 2.635 . 0 0 "[ . 1]" 1
733 2 13 LYS H 2 13 LYS HB3 4.000 . 4.200 2.820 2.486 3.588 . 0 0 "[ . 1]" 1
734 2 13 LYS H 2 14 ILE H 5.000 . 5.250 2.721 2.468 2.903 . 0 0 "[ . 1]" 1
735 2 13 LYS H 2 15 ARG H 5.000 . 5.250 3.989 3.835 4.182 . 0 0 "[ . 1]" 1
736 2 13 LYS H 2 16 SER QB 6.000 . 6.300 5.349 4.847 5.756 . 0 0 "[ . 1]" 1
737 2 13 LYS HA 2 14 ILE H 4.000 . 4.200 3.573 3.547 3.589 . 0 0 "[ . 1]" 1
738 2 13 LYS HB2 2 14 ILE H 5.000 . 5.250 3.480 2.367 4.017 . 0 0 "[ . 1]" 1
739 2 13 LYS HB3 2 14 ILE H 5.000 . 5.250 2.676 2.275 3.681 . 0 0 "[ . 1]" 1
740 2 13 LYS QB 2 14 ILE HA 5.600 . 5.880 3.924 3.722 4.172 . 0 0 "[ . 1]" 1
741 2 13 LYS QB 2 14 ILE HG12 5.600 . 5.880 4.735 3.907 5.426 . 0 0 "[ . 1]" 1
742 2 13 LYS QB 2 14 ILE HG13 5.600 . 5.880 4.493 3.715 5.397 . 0 0 "[ . 1]" 1
743 2 13 LYS QB 2 14 ILE MG 6.600 . 6.930 3.023 2.890 3.307 . 0 0 "[ . 1]" 1
744 2 13 LYS QB 2 17 LEU QD 8.400 . 8.820 3.942 2.931 4.370 . 0 0 "[ . 1]" 1
745 2 13 LYS QG 2 14 ILE H 6.000 . 6.300 3.744 3.291 4.121 . 0 0 "[ . 1]" 1
746 2 13 LYS QG 2 14 ILE HA 6.000 . 6.300 4.097 3.331 5.726 . 0 0 "[ . 1]" 1
747 2 13 LYS QG 2 16 SER QB 7.000 . 7.350 4.287 3.479 4.981 . 0 0 "[ . 1]" 1
748 2 13 LYS QG 2 17 LEU H 6.000 . 6.300 4.938 4.189 6.545 0.245 9 0 "[ . 1]" 1
749 2 13 LYS QG 2 17 LEU QD 8.400 . 8.820 3.241 2.271 5.672 . 0 0 "[ . 1]" 1
750 2 14 ILE H 2 14 ILE HB 4.000 . 4.200 3.632 3.614 3.648 . 0 0 "[ . 1]" 1
751 2 14 ILE H 2 14 ILE HG12 5.000 . 5.250 2.909 2.069 3.288 . 0 0 "[ . 1]" 1
752 2 14 ILE H 2 14 ILE HG13 5.000 . 5.250 2.318 1.793 3.211 . 0 0 "[ . 1]" 1
753 2 14 ILE H 2 15 ARG H 5.000 . 5.250 2.581 2.507 2.656 . 0 0 "[ . 1]" 1
754 2 14 ILE H 2 16 SER H 4.000 . 4.200 4.238 4.074 4.405 0.205 2 0 "[ . 1]" 1
755 2 14 ILE H 2 17 LEU H 5.000 . 5.250 4.887 4.731 5.140 . 0 0 "[ . 1]" 1
756 2 14 ILE HA 2 17 LEU H 5.000 . 5.250 3.317 3.167 3.532 . 0 0 "[ . 1]" 1
757 2 14 ILE HA 2 17 LEU HB2 5.000 . 5.250 2.836 2.471 3.320 . 0 0 "[ . 1]" 1
758 2 14 ILE HA 2 17 LEU HB3 5.000 . 5.250 4.319 3.986 4.843 . 0 0 "[ . 1]" 1
759 2 14 ILE HA 2 17 LEU MD1 6.000 . 6.300 2.145 1.789 2.611 . 0 0 "[ . 1]" 1
760 2 14 ILE HA 2 17 LEU MD2 6.000 . 6.300 4.307 4.092 4.608 . 0 0 "[ . 1]" 1
761 2 14 ILE HB 2 15 ARG H 5.000 . 5.250 3.891 3.815 3.986 . 0 0 "[ . 1]" 1
762 2 14 ILE HB 2 15 ARG HA 4.000 . 4.200 4.521 4.418 4.630 0.430 5 0 "[ . 1]" 1
763 2 14 ILE HB 2 18 GLN QE 6.000 . 6.300 3.352 2.474 5.942 . 0 0 "[ . 1]" 1
764 2 14 ILE QG 2 15 ARG HA 6.000 . 6.300 4.030 3.249 4.482 . 0 0 "[ . 1]" 1
765 2 14 ILE MG 2 15 ARG H 6.000 . 6.300 4.061 3.973 4.145 . 0 0 "[ . 1]" 1
766 2 14 ILE MG 2 17 LEU QB 7.000 . 7.350 4.148 3.785 4.513 . 0 0 "[ . 1]" 1
767 2 14 ILE MG 2 17 LEU QD 8.400 . 8.820 2.715 2.513 3.137 . 0 0 "[ . 1]" 1
768 2 14 ILE MG 2 18 GLN QG 6.000 . 6.300 4.854 4.362 5.049 . 0 0 "[ . 1]" 1
769 2 14 ILE MG 2 18 GLN QE 6.000 . 6.300 4.572 3.880 6.576 0.276 9 0 "[ . 1]" 1
770 2 14 ILE MD 2 15 ARG HA 6.000 . 6.300 3.222 2.510 4.726 . 0 0 "[ . 1]" 1
771 2 14 ILE MD 2 15 ARG QB 6.600 . 6.930 3.427 2.633 4.878 . 0 0 "[ . 1]" 1
772 2 14 ILE MD 2 18 GLN QE 6.000 . 6.300 2.980 1.972 5.313 . 0 0 "[ . 1]" 1
773 2 15 ARG H 2 16 SER H 5.000 . 5.250 2.618 2.443 2.795 . 0 0 "[ . 1]" 1
774 2 15 ARG HA 2 18 GLN H 5.000 . 5.250 3.531 3.117 3.902 . 0 0 "[ . 1]" 1
775 2 15 ARG HA 2 18 GLN HB2 5.000 . 5.250 3.044 2.619 3.404 . 0 0 "[ . 1]" 1
776 2 15 ARG HA 2 18 GLN HB3 5.000 . 5.250 4.637 4.114 5.107 . 0 0 "[ . 1]" 1
777 2 15 ARG HA 2 18 GLN QG 6.000 . 6.300 3.358 2.443 3.986 . 0 0 "[ . 1]" 1
778 2 15 ARG HA 2 18 GLN QE 6.000 . 6.300 3.742 2.192 5.100 . 0 0 "[ . 1]" 1
779 2 15 ARG HA 2 19 GLU QB 6.000 . 6.300 4.801 3.993 5.347 . 0 0 "[ . 1]" 1
780 2 15 ARG QB 2 16 SER H 5.600 . 5.880 2.608 2.256 3.577 . 0 0 "[ . 1]" 1
781 2 15 ARG QB 2 16 SER QB 6.200 . 6.510 4.405 3.873 4.778 . 0 0 "[ . 1]" 1
782 2 16 SER H 2 18 GLN H 5.000 . 5.250 4.296 4.014 4.664 . 0 0 "[ . 1]" 1
783 2 16 SER HA 2 17 LEU H 5.000 . 5.250 3.534 3.521 3.543 . 0 0 "[ . 1]" 1
784 2 16 SER HA 2 19 GLU H 5.000 . 5.250 3.604 3.273 3.955 . 0 0 "[ . 1]" 1
785 2 16 SER HA 2 19 GLU HB2 5.000 . 5.250 3.598 2.802 4.970 . 0 0 "[ . 1]" 1
786 2 16 SER HA 2 19 GLU HB3 5.000 . 5.250 3.210 2.326 4.480 . 0 0 "[ . 1]" 1
787 2 16 SER HA 2 19 GLU QG 6.000 . 6.300 4.190 2.130 5.483 . 0 0 "[ . 1]" 1
788 2 16 SER HA 2 20 GLN QB 6.000 . 6.300 4.548 3.824 5.089 . 0 0 "[ . 1]" 1
789 2 16 SER QB 2 17 LEU H 5.600 . 5.880 2.550 2.448 2.624 . 0 0 "[ . 1]" 1
790 2 16 SER QB 2 17 LEU HG 5.600 . 5.880 3.413 3.250 3.634 . 0 0 "[ . 1]" 1
791 2 17 LEU H 2 17 LEU HG 5.000 . 5.250 2.199 2.133 2.268 . 0 0 "[ . 1]" 1
792 2 17 LEU H 2 18 GLN H 5.000 . 5.250 2.754 2.656 2.894 . 0 0 "[ . 1]" 1
793 2 17 LEU H 2 19 GLU H 5.000 . 5.250 4.255 3.947 4.436 . 0 0 "[ . 1]" 1
794 2 17 LEU HA 2 20 GLN H 5.000 . 5.250 3.747 3.443 4.205 . 0 0 "[ . 1]" 1
795 2 17 LEU HA 2 20 GLN QB 5.000 . 5.250 2.921 2.316 3.584 . 0 0 "[ . 1]" 1
796 2 17 LEU HA 2 20 GLN QG 6.000 . 6.300 4.406 3.651 5.054 . 0 0 "[ . 1]" 1
797 2 17 LEU HA 2 21 ASN H 5.000 . 5.250 4.184 3.629 4.990 . 0 0 "[ . 1]" 1
798 2 17 LEU HA 2 21 ASN HD21 5.000 . 5.250 3.905 3.150 5.093 . 0 0 "[ . 1]" 1
799 2 17 LEU QB 2 18 GLN H 5.600 . 5.880 2.397 2.160 2.657 . 0 0 "[ . 1]" 1
800 2 17 LEU QB 2 18 GLN HA 5.600 . 5.880 3.792 3.716 3.868 . 0 0 "[ . 1]" 1
801 2 17 LEU QB 2 18 GLN QB 6.200 . 6.510 4.311 4.101 4.539 . 0 0 "[ . 1]" 1
802 2 17 LEU QB 2 21 ASN HD21 6.000 . 6.300 3.962 2.989 4.863 . 0 0 "[ . 1]" 1
803 2 17 LEU QB 2 21 ASN HD22 6.000 . 6.300 3.754 3.030 4.576 . 0 0 "[ . 1]" 1
804 2 17 LEU QD 2 18 GLN H 7.400 . 7.770 3.983 3.843 4.134 . 0 0 "[ . 1]" 1
805 2 17 LEU QD 2 18 GLN QG 7.400 . 7.770 4.266 3.861 4.546 . 0 0 "[ . 1]" 1
806 2 17 LEU QD 2 20 GLN QB 8.400 . 8.820 3.845 3.224 4.553 . 0 0 "[ . 1]" 1
807 2 17 LEU QD 2 21 ASN HD21 7.400 . 7.770 4.431 3.812 5.574 . 0 0 "[ . 1]" 1
808 2 17 LEU QD 2 21 ASN HD22 7.400 . 7.770 4.019 2.948 4.986 . 0 0 "[ . 1]" 1
809 2 18 GLN H 2 18 GLN HB2 4.000 . 4.200 2.486 2.423 2.550 . 0 0 "[ . 1]" 1
810 2 18 GLN H 2 18 GLN HB3 4.000 . 4.200 3.577 3.565 3.590 . 0 0 "[ . 1]" 1
811 2 18 GLN H 2 20 GLN H 5.000 . 5.250 4.251 3.942 4.528 . 0 0 "[ . 1]" 1
812 2 18 GLN HA 2 19 GLU H 5.000 . 5.250 3.545 3.494 3.576 . 0 0 "[ . 1]" 1
813 2 18 GLN HA 2 21 ASN H 5.000 . 5.250 3.709 3.414 4.199 . 0 0 "[ . 1]" 1
814 2 18 GLN HA 2 21 ASN HB2 4.000 . 4.200 2.988 2.210 4.262 0.062 2 0 "[ . 1]" 1
815 2 18 GLN HA 2 21 ASN HB3 5.000 . 5.250 4.514 3.664 5.665 0.415 2 0 "[ . 1]" 1
816 2 18 GLN HA 2 21 ASN HD22 5.000 . 5.250 4.749 2.951 5.989 0.739 4 1 "[ +. 1]" 1
817 2 18 GLN HA 2 22 TYR H 4.000 . 4.200 4.352 3.817 5.702 1.502 2 2 "[ + - 1]" 1
818 2 18 GLN QB 2 19 GLU QB 5.200 . 5.460 3.765 3.568 3.951 . 0 0 "[ . 1]" 1
819 2 19 GLU H 2 19 GLU HB2 4.000 . 4.200 2.439 2.067 3.605 . 0 0 "[ . 1]" 1
820 2 19 GLU H 2 19 GLU HB3 4.000 . 4.200 2.703 2.531 3.042 . 0 0 "[ . 1]" 1
821 2 19 GLU H 2 20 GLN H 4.000 . 4.200 2.710 2.497 2.823 . 0 0 "[ . 1]" 1
822 2 19 GLU HA 2 20 GLN H 5.000 . 5.250 3.538 3.470 3.568 . 0 0 "[ . 1]" 1
823 2 19 GLU HA 2 21 ASN H 4.000 . 4.200 4.472 4.039 4.838 0.638 9 2 "[- . +1]" 1
824 2 19 GLU HA 2 22 TYR H 4.000 . 4.200 3.793 3.540 4.133 . 0 0 "[ . 1]" 1
825 2 19 GLU HA 2 22 TYR QB 5.000 . 5.250 3.179 2.614 3.686 . 0 0 "[ . 1]" 1
826 2 19 GLU HA 2 22 TYR QD 7.200 . 7.560 4.121 2.479 5.604 . 0 0 "[ . 1]" 1
827 2 19 GLU HA 2 23 HIS H 4.000 . 4.200 4.264 3.841 4.761 0.561 2 2 "[ + .- 1]" 1
828 2 19 GLU HB2 2 20 GLN H 4.000 . 4.200 3.652 3.233 3.948 . 0 0 "[ . 1]" 1
829 2 19 GLU HB3 2 20 GLN H 4.000 . 4.200 2.617 2.222 4.130 . 0 0 "[ . 1]" 1
830 2 19 GLU QB 2 20 GLN HA 5.600 . 5.880 3.966 3.603 4.420 . 0 0 "[ . 1]" 1
831 2 19 GLU QB 2 20 GLN QB 5.200 . 5.460 3.919 3.571 4.831 . 0 0 "[ . 1]" 1
832 2 19 GLU QB 2 21 ASN H 6.000 . 6.300 4.714 4.457 5.025 . 0 0 "[ . 1]" 1
833 2 19 GLU QG 2 20 GLN H 6.000 . 6.300 3.852 2.468 4.404 . 0 0 "[ . 1]" 1
834 2 19 GLU QG 2 22 TYR QB 7.000 . 7.350 4.492 3.391 5.856 . 0 0 "[ . 1]" 1
835 2 20 GLN H 2 20 GLN HB2 4.000 . 4.200 2.472 2.205 2.574 . 0 0 "[ . 1]" 1
836 2 20 GLN H 2 20 GLN HB3 4.000 . 4.200 2.623 2.451 3.498 . 0 0 "[ . 1]" 1
837 2 20 GLN H 2 20 GLN HG2 5.000 . 5.250 4.517 3.988 4.623 . 0 0 "[ . 1]" 1
838 2 20 GLN H 2 20 GLN HG3 5.000 . 5.250 4.400 3.942 4.484 . 0 0 "[ . 1]" 1
839 2 20 GLN H 2 21 ASN H 4.000 . 4.200 2.718 2.475 2.898 . 0 0 "[ . 1]" 1
840 2 20 GLN H 2 22 TYR H 5.000 . 5.250 4.428 4.013 4.750 . 0 0 "[ . 1]" 1
841 2 20 GLN HA 2 21 ASN H 4.000 . 4.200 3.533 3.480 3.565 . 0 0 "[ . 1]" 1
842 2 20 GLN HA 2 23 HIS H 5.000 . 5.250 3.619 3.114 3.974 . 0 0 "[ . 1]" 1
843 2 20 GLN HA 2 23 HIS QB 6.000 . 6.300 2.717 2.024 3.453 . 0 0 "[ . 1]" 1
844 2 20 GLN HA 2 24 LEU H 5.000 . 5.250 4.018 3.574 4.540 . 0 0 "[ . 1]" 1
845 2 20 GLN HB3 2 20 GLN HE22 5.000 . 5.250 5.002 3.953 5.341 0.091 8 0 "[ . 1]" 1
846 2 20 GLN HB2 2 21 ASN H 5.000 . 5.250 3.767 2.966 4.074 . 0 0 "[ . 1]" 1
847 2 20 GLN HB3 2 21 ASN H 5.000 . 5.250 2.658 2.221 3.385 . 0 0 "[ . 1]" 1
848 2 20 GLN QB 2 21 ASN HA 5.600 . 5.880 4.062 3.773 4.193 . 0 0 "[ . 1]" 1
849 2 20 GLN HB2 2 21 ASN HD21 5.000 . 5.250 4.797 3.093 5.449 0.199 2 0 "[ . 1]" 1
850 2 20 GLN QB 2 21 ASN HD22 5.600 . 5.880 4.185 3.493 5.007 . 0 0 "[ . 1]" 1
851 2 20 GLN HB3 2 21 ASN HD21 5.000 . 5.250 3.289 2.863 4.039 . 0 0 "[ . 1]" 1
852 2 20 GLN HG2 2 21 ASN H 5.000 . 5.250 4.624 3.549 5.246 . 0 0 "[ . 1]" 1
853 2 20 GLN HG3 2 21 ASN H 5.000 . 5.250 3.977 3.276 5.137 . 0 0 "[ . 1]" 1
854 2 20 GLN QG 2 21 ASN HA 6.000 . 6.300 3.822 3.131 5.519 . 0 0 "[ . 1]" 1
855 2 20 GLN QG 2 21 ASN HD21 6.000 . 6.300 4.129 2.917 5.252 . 0 0 "[ . 1]" 1
856 2 20 GLN QG 2 21 ASN HD22 6.000 . 6.300 4.804 3.520 5.522 . 0 0 "[ . 1]" 1
857 2 20 GLN QG 2 23 HIS QB 7.000 . 7.350 4.238 3.665 5.193 . 0 0 "[ . 1]" 1
858 2 20 GLN HG2 2 24 LEU QB 6.000 . 6.300 5.359 4.194 6.497 0.197 7 0 "[ . 1]" 1
859 2 20 GLN HG3 2 24 LEU QB 6.000 . 6.300 4.090 2.824 5.631 . 0 0 "[ . 1]" 1
860 2 20 GLN HG2 2 24 LEU QD 7.400 . 7.770 3.558 2.317 4.477 . 0 0 "[ . 1]" 1
861 2 20 GLN HG3 2 24 LEU QD 7.400 . 7.770 2.758 2.166 3.572 . 0 0 "[ . 1]" 1
862 2 20 GLN QG 2 24 LEU QD 8.400 . 8.820 2.641 2.123 3.438 . 0 0 "[ . 1]" 1
863 2 20 GLN QE 2 24 LEU QD 8.400 . 8.820 3.290 2.284 4.974 . 0 0 "[ . 1]" 1
864 2 21 ASN H 2 21 ASN HB3 4.000 . 4.200 3.545 3.453 3.596 . 0 0 "[ . 1]" 1
865 2 21 ASN H 2 21 ASN HD21 5.000 . 5.250 2.323 2.057 2.778 . 0 0 "[ . 1]" 1
866 2 21 ASN H 2 22 TYR H 4.000 . 4.200 2.804 2.501 3.038 . 0 0 "[ . 1]" 1
867 2 21 ASN H 2 22 TYR QB 5.600 . 5.880 4.555 4.246 4.914 . 0 0 "[ . 1]" 1
868 2 21 ASN H 2 23 HIS H 5.000 . 5.250 4.173 3.828 4.615 . 0 0 "[ . 1]" 1
869 2 21 ASN HA 2 21 ASN HD22 5.000 . 5.250 3.777 3.238 4.310 . 0 0 "[ . 1]" 1
870 2 21 ASN HA 2 22 TYR H 5.000 . 5.250 3.544 3.463 3.568 . 0 0 "[ . 1]" 1
871 2 21 ASN HA 2 23 HIS H 5.000 . 5.250 4.503 4.367 4.811 . 0 0 "[ . 1]" 1
872 2 21 ASN HA 2 24 LEU H 5.000 . 5.250 3.638 3.084 3.908 . 0 0 "[ . 1]" 1
873 2 21 ASN HA 2 24 LEU QB 5.000 . 5.250 2.954 2.202 3.442 . 0 0 "[ . 1]" 1
874 2 21 ASN HA 2 24 LEU QD 7.400 . 7.770 3.068 1.936 3.875 . 0 0 "[ . 1]" 1
875 2 21 ASN HB2 2 22 TYR H 4.000 . 4.200 2.607 2.199 3.051 . 0 0 "[ . 1]" 1
876 2 21 ASN HB3 2 22 TYR H 4.000 . 4.200 3.201 2.797 3.851 . 0 0 "[ . 1]" 1
877 2 21 ASN HB2 2 22 TYR HA 5.000 . 5.250 4.549 4.207 4.912 . 0 0 "[ . 1]" 1
878 2 21 ASN HB3 2 22 TYR HA 5.000 . 5.250 4.049 3.826 4.497 . 0 0 "[ . 1]" 1
879 2 21 ASN HB3 2 22 TYR QB 5.600 . 5.880 4.627 4.048 5.216 . 0 0 "[ . 1]" 1
880 2 21 ASN HB2 2 24 LEU QD 7.400 . 7.770 5.416 4.259 6.162 . 0 0 "[ . 1]" 1
881 2 21 ASN HB3 2 24 LEU QD 7.400 . 7.770 5.030 3.658 5.756 . 0 0 "[ . 1]" 1
882 2 21 ASN HD21 2 24 LEU QD 7.400 . 7.770 4.559 3.591 5.910 . 0 0 "[ . 1]" 1
883 2 22 TYR H 2 24 LEU H 5.000 . 5.250 4.258 3.952 4.512 . 0 0 "[ . 1]" 1
884 2 22 TYR HA 2 23 HIS H 5.000 . 5.250 3.530 3.499 3.573 . 0 0 "[ . 1]" 1
885 2 22 TYR HA 2 25 GLU H 4.000 . 4.200 3.689 3.265 4.255 0.055 9 0 "[ . 1]" 1
886 2 22 TYR HA 2 25 GLU HB2 5.000 . 5.250 3.337 2.428 4.282 . 0 0 "[ . 1]" 1
887 2 22 TYR HA 2 25 GLU HB3 5.000 . 5.250 3.948 2.250 5.738 0.488 9 0 "[ . 1]" 1
888 2 22 TYR HA 2 25 GLU QG 6.000 . 6.300 3.908 2.926 4.989 . 0 0 "[ . 1]" 1
889 2 22 TYR HA 2 26 ASN H 5.000 . 5.250 4.230 3.604 4.956 . 0 0 "[ . 1]" 1
890 2 22 TYR QB 2 23 HIS H 4.600 . 4.830 2.516 2.286 2.752 . 0 0 "[ . 1]" 1
891 2 23 HIS H 2 24 LEU H 5.000 . 5.250 2.730 2.554 2.888 . 0 0 "[ . 1]" 1
892 2 23 HIS HA 2 24 LEU H 5.000 . 5.250 3.545 3.500 3.574 . 0 0 "[ . 1]" 1
893 2 23 HIS HA 2 26 ASN H 4.000 . 4.200 3.773 3.473 4.087 . 0 0 "[ . 1]" 1
894 2 23 HIS HA 2 26 ASN HB2 5.000 . 5.250 3.609 2.536 5.077 . 0 0 "[ . 1]" 1
895 2 23 HIS HA 2 26 ASN HB3 5.000 . 5.250 4.079 2.922 5.242 . 0 0 "[ . 1]" 1
896 2 23 HIS HA 2 26 ASN QD 5.000 . 5.250 4.101 3.276 5.427 0.177 5 0 "[ . 1]" 1
897 2 23 HIS QB 2 24 LEU H 5.600 . 5.880 2.477 2.152 2.818 . 0 0 "[ . 1]" 1
898 2 23 HIS QB 2 24 LEU QB 6.200 . 6.510 4.187 3.737 4.514 . 0 0 "[ . 1]" 1
899 2 24 LEU H 2 24 LEU HG 5.000 . 5.250 2.922 2.214 4.468 . 0 0 "[ . 1]" 1
900 2 24 LEU H 2 26 ASN H 5.000 . 5.250 4.263 4.045 4.588 . 0 0 "[ . 1]" 1
901 2 24 LEU H 2 27 GLU QB 5.000 . 5.250 4.781 4.289 5.374 0.124 8 0 "[ . 1]" 1
902 2 24 LEU HA 2 25 GLU H 4.000 . 4.200 3.543 3.497 3.568 . 0 0 "[ . 1]" 1
903 2 24 LEU HA 2 26 ASN H 5.000 . 5.250 4.478 3.906 5.036 . 0 0 "[ . 1]" 1
904 2 24 LEU HA 2 27 GLU H 5.000 . 5.250 3.561 3.173 4.176 . 0 0 "[ . 1]" 1
905 2 24 LEU HA 2 27 GLU QB 5.000 . 5.250 2.778 2.005 3.364 . 0 0 "[ . 1]" 1
906 2 24 LEU HA 2 27 GLU QG 6.000 . 6.300 4.332 3.293 4.914 . 0 0 "[ . 1]" 1
907 2 24 LEU HA 2 28 VAL H 5.000 . 5.250 3.900 3.640 4.466 . 0 0 "[ . 1]" 1
908 2 24 LEU HA 2 28 VAL HB 5.000 . 5.250 4.914 4.214 6.606 1.356 5 2 "[- + 1]" 1
909 2 24 LEU QB 2 25 GLU H 5.600 . 5.880 2.473 2.285 2.776 . 0 0 "[ . 1]" 1
910 2 24 LEU QB 2 25 GLU HA 5.600 . 5.880 3.849 3.700 4.106 . 0 0 "[ . 1]" 1
911 2 24 LEU QB 2 25 GLU QB 6.200 . 6.510 4.162 3.689 4.589 . 0 0 "[ . 1]" 1
912 2 24 LEU QB 2 27 GLU QB 7.000 . 7.350 4.381 3.442 4.960 . 0 0 "[ . 1]" 1
913 2 24 LEU QB 2 28 VAL H 5.000 . 5.250 4.701 4.212 5.307 0.057 9 0 "[ . 1]" 1
914 2 24 LEU HG 2 25 GLU H 5.000 . 5.250 4.371 4.047 4.780 . 0 0 "[ . 1]" 1
915 2 24 LEU QD 2 25 GLU H 7.400 . 7.770 3.868 3.063 4.174 . 0 0 "[ . 1]" 1
916 2 24 LEU QD 2 25 GLU HA 7.400 . 7.770 4.552 2.673 5.180 . 0 0 "[ . 1]" 1
917 2 24 LEU MD2 2 25 GLU H 6.000 . 6.300 4.340 3.115 4.672 . 0 0 "[ . 1]" 1
918 2 24 LEU QD 2 27 GLU QB 8.400 . 8.820 3.622 2.538 4.536 . 0 0 "[ . 1]" 1
919 2 25 GLU H 2 25 GLU HB2 4.000 . 4.200 2.479 2.338 2.578 . 0 0 "[ . 1]" 1
920 2 25 GLU H 2 25 GLU HB3 4.000 . 4.200 3.153 2.432 3.595 . 0 0 "[ . 1]" 1
921 2 25 GLU H 2 25 GLU HG2 5.000 . 5.250 3.703 2.470 4.551 . 0 0 "[ . 1]" 1
922 2 25 GLU H 2 25 GLU HG3 5.000 . 5.250 3.246 2.115 4.431 . 0 0 "[ . 1]" 1
923 2 25 GLU H 2 26 ASN H 4.000 . 4.200 2.744 2.509 2.899 . 0 0 "[ . 1]" 1
924 2 25 GLU H 2 26 ASN QB 5.600 . 5.880 4.606 4.274 5.032 . 0 0 "[ . 1]" 1
925 2 25 GLU H 2 27 GLU H 4.000 . 4.200 4.185 3.892 4.355 0.155 2 0 "[ . 1]" 1
926 2 25 GLU HA 2 26 ASN H 5.000 . 5.250 3.537 3.449 3.600 . 0 0 "[ . 1]" 1
927 2 25 GLU HA 2 27 GLU H 5.000 . 5.250 4.509 4.212 4.698 . 0 0 "[ . 1]" 1
928 2 25 GLU HA 2 28 VAL H 4.000 . 4.200 3.778 3.391 4.068 . 0 0 "[ . 1]" 1
929 2 25 GLU HA 2 28 VAL HB 5.000 . 5.250 4.086 2.628 4.634 . 0 0 "[ . 1]" 1
930 2 25 GLU HA 2 28 VAL QG 7.400 . 7.770 2.252 1.622 2.736 . 0 0 "[ . 1]" 1
931 2 25 GLU HA 2 29 ALA H 5.000 . 5.250 4.158 3.539 4.750 . 0 0 "[ . 1]" 1
932 2 25 GLU HB2 2 26 ASN H 4.000 . 4.200 3.105 2.429 3.868 . 0 0 "[ . 1]" 1
933 2 25 GLU HB3 2 26 ASN H 4.000 . 4.200 3.150 2.416 3.959 . 0 0 "[ . 1]" 1
934 2 25 GLU QG 2 26 ASN H 6.000 . 6.300 3.871 3.365 4.157 . 0 0 "[ . 1]" 1
935 2 25 GLU HG2 2 28 VAL QG 7.400 . 7.770 4.207 3.166 4.890 . 0 0 "[ . 1]" 1
936 2 25 GLU HG3 2 28 VAL QG 7.400 . 7.770 4.381 3.248 5.340 . 0 0 "[ . 1]" 1
937 2 26 ASN H 2 26 ASN HB2 4.000 . 4.200 2.542 2.274 3.626 . 0 0 "[ . 1]" 1
938 2 26 ASN H 2 26 ASN HB3 4.000 . 4.200 3.028 2.395 3.579 . 0 0 "[ . 1]" 1
939 2 26 ASN H 2 26 ASN QD 5.000 . 5.250 3.285 2.061 4.406 . 0 0 "[ . 1]" 1
940 2 26 ASN H 2 27 GLU H 4.000 . 4.200 2.612 2.471 2.768 . 0 0 "[ . 1]" 1
941 2 26 ASN H 2 27 GLU QB 4.600 . 4.830 4.351 4.179 4.500 . 0 0 "[ . 1]" 1
942 2 26 ASN H 2 28 VAL H 5.000 . 5.250 4.295 4.142 4.485 . 0 0 "[ . 1]" 1
943 2 26 ASN H 2 29 ALA MB 5.000 . 5.250 4.761 4.405 5.268 0.018 5 0 "[ . 1]" 1
944 2 26 ASN HA 2 27 GLU H 4.000 . 4.200 3.530 3.505 3.552 . 0 0 "[ . 1]" 1
945 2 26 ASN HA 2 29 ALA H 5.000 . 5.250 3.737 3.484 4.232 . 0 0 "[ . 1]" 1
946 2 26 ASN HA 2 29 ALA MB 6.000 . 6.300 2.849 2.417 3.421 . 0 0 "[ . 1]" 1
947 2 26 ASN HA 2 30 ARG H 5.000 . 5.250 4.368 3.824 5.084 . 0 0 "[ . 1]" 1
948 2 26 ASN HB2 2 27 GLU H 4.000 . 4.200 3.298 2.641 3.952 . 0 0 "[ . 1]" 1
949 2 26 ASN HB3 2 27 GLU H 4.000 . 4.200 3.138 2.418 3.938 . 0 0 "[ . 1]" 1
950 2 26 ASN QB 2 27 GLU HA 5.600 . 5.880 3.993 3.658 4.381 . 0 0 "[ . 1]" 1
951 2 26 ASN QD 2 27 GLU H 6.000 . 6.300 3.883 3.102 4.996 . 0 0 "[ . 1]" 1
952 2 27 GLU H 2 27 GLU HG2 5.000 . 5.250 4.334 3.884 4.590 . 0 0 "[ . 1]" 1
953 2 27 GLU H 2 27 GLU HG3 5.000 . 5.250 4.288 3.644 4.528 . 0 0 "[ . 1]" 1
954 2 27 GLU H 2 28 VAL H 4.000 . 4.200 2.733 2.599 2.964 . 0 0 "[ . 1]" 1
955 2 27 GLU H 2 28 VAL QG 7.400 . 7.770 3.951 3.779 4.050 . 0 0 "[ . 1]" 1
956 2 27 GLU H 2 29 ALA H 4.000 . 4.200 4.099 3.653 4.620 0.420 5 0 "[ . 1]" 1
957 2 27 GLU HA 2 28 VAL H 4.000 . 4.200 3.564 3.537 3.582 . 0 0 "[ . 1]" 1
958 2 27 GLU HA 2 29 ALA H 5.000 . 5.250 4.390 4.037 4.783 . 0 0 "[ . 1]" 1
959 2 27 GLU HA 2 29 ALA MB 6.000 . 6.300 4.833 4.436 5.323 . 0 0 "[ . 1]" 1
960 2 27 GLU HA 2 30 ARG H 5.000 . 5.250 3.664 3.365 4.051 . 0 0 "[ . 1]" 1
961 2 27 GLU HA 2 30 ARG QB 5.000 . 5.250 3.143 2.251 3.858 . 0 0 "[ . 1]" 1
962 2 27 GLU HA 2 31 LEU H 5.000 . 5.250 4.301 3.834 5.223 . 0 0 "[ . 1]" 1
963 2 27 GLU HA 2 31 LEU QB 6.000 . 6.300 4.920 4.174 6.650 0.350 3 0 "[ . 1]" 1
964 2 27 GLU QB 2 28 VAL H 5.000 . 5.250 2.476 2.212 2.767 . 0 0 "[ . 1]" 1
965 2 27 GLU QB 2 28 VAL HA 5.600 . 5.880 3.835 3.567 4.096 . 0 0 "[ . 1]" 1
966 2 27 GLU QB 2 28 VAL QG 8.000 . 8.400 3.749 3.056 4.099 . 0 0 "[ . 1]" 1
967 2 27 GLU QB 2 31 LEU QD 8.400 . 8.820 4.128 2.712 5.389 . 0 0 "[ . 1]" 1
968 2 27 GLU QG 2 28 VAL H 6.000 . 6.300 4.000 3.249 4.602 . 0 0 "[ . 1]" 1
969 2 27 GLU QG 2 30 ARG H 6.000 . 6.300 5.370 4.679 6.062 . 0 0 "[ . 1]" 1
970 2 28 VAL H 2 28 VAL HB 4.000 . 4.200 2.533 2.482 2.627 . 0 0 "[ . 1]" 1
971 2 28 VAL H 2 29 ALA H 5.000 . 5.250 2.672 2.544 2.899 . 0 0 "[ . 1]" 1
972 2 28 VAL H 2 29 ALA MB 6.000 . 6.300 4.332 4.233 4.533 . 0 0 "[ . 1]" 1
973 2 28 VAL H 2 30 ARG H 5.000 . 5.250 4.327 4.065 4.741 . 0 0 "[ . 1]" 1
974 2 28 VAL H 2 31 LEU QB 6.000 . 6.300 4.809 4.143 5.734 . 0 0 "[ . 1]" 1
975 2 28 VAL HA 2 29 ALA H 5.000 . 5.250 3.520 3.462 3.573 . 0 0 "[ . 1]" 1
976 2 28 VAL HA 2 31 LEU H 5.000 . 5.250 3.454 3.174 3.815 . 0 0 "[ . 1]" 1
977 2 28 VAL HA 2 31 LEU QB 5.000 . 5.250 2.643 2.072 3.465 . 0 0 "[ . 1]" 1
978 2 28 VAL HA 2 31 LEU QD 7.400 . 7.770 3.109 1.874 4.228 . 0 0 "[ . 1]" 1
979 2 28 VAL HA 2 32 LYS H 5.000 . 5.250 3.904 3.457 4.717 . 0 0 "[ . 1]" 1
980 2 28 VAL HA 2 32 LYS QG 6.000 . 6.300 4.681 3.931 6.287 . 0 0 "[ . 1]" 1
981 2 28 VAL HB 2 29 ALA H 4.000 . 4.200 3.662 2.253 4.026 . 0 0 "[ . 1]" 1
982 2 28 VAL QG 2 29 ALA H 7.400 . 7.770 2.406 2.141 3.147 . 0 0 "[ . 1]" 1
983 2 28 VAL QG 2 29 ALA HA 7.400 . 7.770 3.080 2.945 3.318 . 0 0 "[ . 1]" 1
984 2 28 VAL QG 2 29 ALA MB 8.400 . 8.820 3.209 2.957 3.931 . 0 0 "[ . 1]" 1
985 2 28 VAL QG 2 32 LYS H 7.400 . 7.770 3.632 3.317 3.957 . 0 0 "[ . 1]" 1
986 2 28 VAL QG 2 32 LYS QB 8.400 . 8.820 3.190 2.726 3.973 . 0 0 "[ . 1]" 1
987 2 28 VAL QG 2 32 LYS QG 7.400 . 7.770 3.091 2.454 4.071 . 0 0 "[ . 1]" 1
988 2 28 VAL QG 2 32 LYS QD 8.400 . 8.820 3.575 2.185 4.769 . 0 0 "[ . 1]" 1
989 2 28 VAL QG 2 32 LYS HE2 7.400 . 7.770 3.846 2.455 5.608 . 0 0 "[ . 1]" 1
990 2 28 VAL QG 2 32 LYS HE3 7.400 . 7.770 4.392 3.275 4.897 . 0 0 "[ . 1]" 1
991 2 28 VAL QG 2 31 LEU QB 8.400 . 8.820 3.407 3.075 4.171 . 0 0 "[ . 1]" 1
992 2 29 ALA H 2 30 ARG H 3.000 . 3.150 2.719 2.579 3.008 . 0 0 "[ . 1]" 1
993 2 29 ALA H 2 31 LEU H 4.000 . 4.200 4.143 3.989 4.297 0.097 3 0 "[ . 1]" 1
994 2 29 ALA H 2 32 LYS H 5.000 . 5.250 4.884 4.615 5.256 0.006 3 0 "[ . 1]" 1
995 2 29 ALA H 2 32 LYS QE 6.000 . 6.300 4.602 3.390 7.588 1.288 2 1 "[ + . 1]" 1
996 2 29 ALA HA 2 30 ARG H 4.000 . 4.200 3.539 3.496 3.577 . 0 0 "[ . 1]" 1
997 2 29 ALA HA 2 31 LEU H 5.000 . 5.250 4.502 4.192 4.715 . 0 0 "[ . 1]" 1
998 2 29 ALA HA 2 32 LYS H 4.000 . 4.200 3.841 3.475 4.404 0.204 8 0 "[ . 1]" 1
999 2 29 ALA HA 2 32 LYS QB 6.000 . 6.300 4.219 2.645 5.150 . 0 0 "[ . 1]" 1
1000 2 29 ALA HA 2 32 LYS QD 5.000 . 5.250 3.540 2.677 4.684 . 0 0 "[ . 1]" 1
1001 2 29 ALA HA 2 33 LYS H 5.000 . 5.250 4.153 3.568 4.625 . 0 0 "[ . 1]" 1
1002 2 29 ALA MB 2 30 ARG H 5.000 . 5.250 2.407 2.233 2.545 . 0 0 "[ . 1]" 1
1003 2 29 ALA MB 2 30 ARG QB 6.600 . 6.930 4.006 3.639 4.369 . 0 0 "[ . 1]" 1
1004 2 29 ALA MB 2 32 LYS QE 7.000 . 7.350 3.236 2.259 6.160 . 0 0 "[ . 1]" 1
1005 2 29 ALA MB 2 33 LYS QB 6.000 . 6.300 4.161 3.339 4.428 . 0 0 "[ . 1]" 1
1006 2 30 ARG H 2 30 ARG HB2 4.000 . 4.200 2.424 2.210 2.625 . 0 0 "[ . 1]" 1
1007 2 30 ARG H 2 30 ARG HB3 4.000 . 4.200 3.184 2.495 3.599 . 0 0 "[ . 1]" 1
1008 2 30 ARG H 2 30 ARG HG2 5.000 . 5.250 3.448 1.986 4.494 . 0 0 "[ . 1]" 1
1009 2 30 ARG H 2 30 ARG HG3 5.000 . 5.250 3.770 1.975 4.470 . 0 0 "[ . 1]" 1
1010 2 30 ARG H 2 30 ARG HD2 5.000 . 5.250 4.247 2.154 5.125 . 0 0 "[ . 1]" 1
1011 2 30 ARG H 2 30 ARG HD3 5.000 . 5.250 4.316 2.718 5.878 0.628 10 1 "[ . +]" 1
1012 2 30 ARG H 2 31 LEU H 4.000 . 4.200 2.668 2.328 2.814 . 0 0 "[ . 1]" 1
1013 2 30 ARG H 2 31 LEU QB 5.600 . 5.880 4.409 4.007 4.697 . 0 0 "[ . 1]" 1
1014 2 30 ARG H 2 32 LYS H 5.000 . 5.250 4.430 4.114 4.730 . 0 0 "[ . 1]" 1
1015 2 30 ARG H 2 32 LYS QG 6.000 . 6.300 4.746 4.303 6.864 0.564 2 1 "[ + . 1]" 1
1016 2 30 ARG H 2 32 LYS QE 6.000 . 6.300 5.223 4.546 8.352 2.052 2 1 "[ + . 1]" 1
1017 2 30 ARG H 2 33 LYS QB 5.000 . 5.250 4.891 4.312 5.258 0.008 5 0 "[ . 1]" 1
1018 2 30 ARG HA 2 31 LEU H 5.000 . 5.250 3.531 3.501 3.549 . 0 0 "[ . 1]" 1
1019 2 30 ARG HA 2 33 LYS H 5.000 . 5.250 3.876 3.512 4.630 . 0 0 "[ . 1]" 1
1020 2 30 ARG HA 2 33 LYS QB 5.000 . 5.250 3.018 2.488 4.011 . 0 0 "[ . 1]" 1
1021 2 30 ARG HA 2 33 LYS QG 6.000 . 6.300 4.735 4.010 5.604 . 0 0 "[ . 1]" 1
1022 2 30 ARG HA 2 33 LYS QD 6.000 . 6.300 4.545 3.247 6.768 0.468 5 0 "[ . 1]" 1
1023 2 30 ARG HA 2 34 LEU H 5.000 . 5.250 4.245 3.754 5.322 0.072 5 0 "[ . 1]" 1
1024 2 30 ARG HA 2 34 LEU QB 5.000 . 5.250 4.418 3.850 5.163 . 0 0 "[ . 1]" 1
1025 2 30 ARG HB2 2 31 LEU H 5.000 . 5.250 3.038 2.248 3.775 . 0 0 "[ . 1]" 1
1026 2 30 ARG HB3 2 31 LEU H 5.000 . 5.250 3.117 2.385 3.816 . 0 0 "[ . 1]" 1
1027 2 30 ARG HB2 2 31 LEU QB 5.600 . 5.880 4.632 3.770 5.421 . 0 0 "[ . 1]" 1
1028 2 30 ARG HB3 2 31 LEU QB 5.600 . 5.880 4.574 3.555 5.358 . 0 0 "[ . 1]" 1
1029 2 30 ARG QB 2 34 LEU QB 6.000 . 6.300 4.333 3.379 5.801 . 0 0 "[ . 1]" 1
1030 2 31 LEU H 2 31 LEU HG 5.000 . 5.250 4.237 3.575 4.499 . 0 0 "[ . 1]" 1
1031 2 31 LEU H 2 32 LYS H 4.000 . 4.200 2.797 2.453 3.048 . 0 0 "[ . 1]" 1
1032 2 31 LEU H 2 33 LYS H 4.000 . 4.200 4.115 3.882 4.346 0.146 2 0 "[ . 1]" 1
1033 2 31 LEU H 2 34 LEU H 4.000 . 4.200 4.726 4.594 5.051 0.851 5 3 "[ +* - 1]" 1
1034 2 31 LEU HA 2 33 LYS H 5.000 . 5.250 4.423 4.260 4.626 . 0 0 "[ . 1]" 1
1035 2 31 LEU HA 2 34 LEU H 5.000 . 5.250 3.617 3.243 3.934 . 0 0 "[ . 1]" 1
1036 2 31 LEU HA 2 34 LEU QB 5.000 . 5.250 2.884 2.430 3.498 . 0 0 "[ . 1]" 1
1037 2 31 LEU HA 2 34 LEU HG 5.000 . 5.250 4.867 3.878 5.574 0.324 6 0 "[ . 1]" 1
1038 2 31 LEU HA 2 34 LEU QD 7.400 . 7.770 4.033 3.281 4.886 . 0 0 "[ . 1]" 1
1039 2 31 LEU QB 2 32 LYS H 5.000 . 5.250 2.421 2.207 2.671 . 0 0 "[ . 1]" 1
1040 2 31 LEU QB 2 32 LYS HA 5.600 . 5.880 3.848 3.458 4.100 . 0 0 "[ . 1]" 1
1041 2 31 LEU QB 2 32 LYS QB 6.200 . 6.510 3.847 3.642 4.023 . 0 0 "[ . 1]" 1
1042 2 31 LEU QB 2 32 LYS QG 5.000 . 5.250 4.108 3.509 5.302 0.052 2 0 "[ . 1]" 1
1043 2 31 LEU HG 2 32 LYS H 5.000 . 5.250 4.394 3.570 5.115 . 0 0 "[ . 1]" 1
1044 2 31 LEU QD 2 32 LYS H 7.400 . 7.770 3.696 3.000 3.985 . 0 0 "[ . 1]" 1
1045 2 31 LEU QD 2 32 LYS HA 7.400 . 7.770 4.203 2.611 5.121 . 0 0 "[ . 1]" 1
1046 2 32 LYS H 2 32 LYS QD 5.000 . 5.250 3.741 3.153 4.286 . 0 0 "[ . 1]" 1
1047 2 32 LYS H 2 32 LYS QE 6.000 . 6.300 4.317 3.807 5.811 . 0 0 "[ . 1]" 1
1048 2 32 LYS H 2 33 LYS H 4.000 . 4.200 2.635 2.512 2.853 . 0 0 "[ . 1]" 1
1049 2 32 LYS H 2 34 LEU H 4.000 . 4.200 4.103 3.854 4.317 0.117 6 0 "[ . 1]" 1
1050 2 32 LYS H 2 35 VAL H 5.000 . 5.250 4.966 4.641 5.419 0.169 8 0 "[ . 1]" 1
1051 2 32 LYS H 2 35 VAL QG 7.400 . 7.770 4.232 3.770 4.937 . 0 0 "[ . 1]" 1
1052 2 32 LYS HA 2 33 LYS H 4.000 . 4.200 3.508 3.461 3.562 . 0 0 "[ . 1]" 1
1053 2 32 LYS HA 2 35 VAL H 4.000 . 4.200 3.651 3.197 4.087 . 0 0 "[ . 1]" 1
1054 2 32 LYS HA 2 35 VAL HB 4.000 . 4.200 4.328 3.589 5.099 0.899 2 3 "[ + . *-1]" 1
1055 2 32 LYS HA 2 35 VAL QG 7.400 . 7.770 2.179 1.670 2.738 . 0 0 "[ . 1]" 1
1056 2 32 LYS QB 2 35 VAL QG 8.400 . 8.820 3.538 3.072 4.260 . 0 0 "[ . 1]" 1
1057 2 32 LYS QG 2 33 LYS H 6.000 . 6.300 2.580 2.219 3.649 . 0 0 "[ . 1]" 1
1058 2 32 LYS QG 2 33 LYS QB 6.600 . 6.930 3.579 2.982 4.349 . 0 0 "[ . 1]" 1
1059 2 32 LYS QD 2 33 LYS H 6.000 . 6.300 3.450 2.008 4.615 . 0 0 "[ . 1]" 1
1060 2 32 LYS QD 2 33 LYS HA 6.000 . 6.300 4.023 2.522 5.479 . 0 0 "[ . 1]" 1
1061 2 32 LYS QD 2 33 LYS QB 5.000 . 5.250 3.878 2.544 5.212 . 0 0 "[ . 1]" 1
1062 2 32 LYS QE 2 33 LYS H 6.000 . 6.300 4.008 3.299 5.712 . 0 0 "[ . 1]" 1
1063 2 32 LYS QE 2 33 LYS QD 7.000 . 7.350 5.391 3.798 7.923 0.573 2 1 "[ + . 1]" 1
1064 2 33 LYS H 2 33 LYS HA 3.000 . 3.150 2.851 2.806 2.879 . 0 0 "[ . 1]" 1
1065 2 33 LYS H 2 33 LYS QB 3.000 . 3.150 2.257 2.210 2.296 . 0 0 "[ . 1]" 1
1066 2 33 LYS H 2 33 LYS HG2 5.000 . 5.250 4.495 4.386 4.631 . 0 0 "[ . 1]" 1
1067 2 33 LYS H 2 33 LYS HG3 5.000 . 5.250 4.500 4.365 4.650 . 0 0 "[ . 1]" 1
1068 2 33 LYS H 2 35 VAL H 4.000 . 4.200 4.259 3.937 4.447 0.247 4 0 "[ . 1]" 1
1069 2 33 LYS HA 2 36 GLY H 4.000 . 4.200 3.624 3.211 4.120 . 0 0 "[ . 1]" 1
1070 2 33 LYS HA 2 37 GLU H 5.000 . 5.250 4.100 2.955 5.137 . 0 0 "[ . 1]" 1
1071 2 33 LYS QB 2 34 LEU HA 5.600 . 5.880 4.146 4.004 4.368 . 0 0 "[ . 1]" 1
1072 2 33 LYS QB 2 34 LEU QB 6.200 . 6.510 3.918 3.629 4.100 . 0 0 "[ . 1]" 1
1073 2 33 LYS QG 2 34 LEU H 6.000 . 6.300 3.815 3.546 4.277 . 0 0 "[ . 1]" 1
1074 2 33 LYS QG 2 34 LEU HA 6.000 . 6.300 3.780 3.456 4.590 . 0 0 "[ . 1]" 1
1075 2 34 LEU H 2 34 LEU HA 3.000 . 3.150 2.834 2.796 2.894 . 0 0 "[ . 1]" 1
1076 2 34 LEU H 2 34 LEU HG 5.000 . 5.250 4.539 4.473 4.634 . 0 0 "[ . 1]" 1
1077 2 34 LEU H 2 35 VAL H 3.000 . 3.150 2.639 2.395 2.804 . 0 0 "[ . 1]" 1
1078 2 34 LEU H 2 35 VAL QG 7.400 . 7.770 3.857 3.703 3.992 . 0 0 "[ . 1]" 1
1079 2 34 LEU H 2 36 GLY H 4.000 . 4.200 3.916 3.678 4.330 0.130 4 0 "[ . 1]" 1
1080 2 34 LEU HA 2 35 VAL H 4.000 . 4.200 3.552 3.524 3.567 . 0 0 "[ . 1]" 1
1081 2 34 LEU QB 2 35 VAL H 5.000 . 5.250 2.508 2.367 2.691 . 0 0 "[ . 1]" 1
1082 2 34 LEU QB 2 35 VAL HA 5.600 . 5.880 4.037 3.847 4.263 . 0 0 "[ . 1]" 1
1083 2 34 LEU HG 2 35 VAL H 5.000 . 5.250 4.498 3.811 5.041 . 0 0 "[ . 1]" 1
1084 2 34 LEU QD 2 35 VAL H 7.400 . 7.770 3.591 3.143 4.017 . 0 0 "[ . 1]" 1
1085 2 34 LEU QD 2 35 VAL HB 7.400 . 7.770 4.184 3.650 4.660 . 0 0 "[ . 1]" 1
1086 2 35 VAL H 2 35 VAL HB 4.000 . 4.200 2.584 2.481 2.678 . 0 0 "[ . 1]" 1
1087 2 35 VAL H 2 36 GLY QA 4.600 . 4.830 4.413 4.154 4.603 . 0 0 "[ . 1]" 1
1088 2 35 VAL HA 2 35 VAL HB 3.000 . 3.150 2.480 2.446 2.521 . 0 0 "[ . 1]" 1
1089 2 35 VAL HA 2 36 GLY H 4.000 . 4.200 3.468 3.400 3.537 . 0 0 "[ . 1]" 1
1090 2 35 VAL HB 2 36 GLY H 4.000 . 4.200 4.071 4.002 4.148 . 0 0 "[ . 1]" 1
1091 2 35 VAL QG 2 36 GLY H 7.400 . 7.770 2.398 2.159 2.597 . 0 0 "[ . 1]" 1
1092 2 35 VAL QG 2 37 GLU QB 8.400 . 8.820 5.303 4.911 6.115 . 0 0 "[ . 1]" 1
1093 2 36 GLY HA2 2 37 GLU H 4.000 . 4.200 3.505 3.416 3.578 . 0 0 "[ . 1]" 1
1094 2 36 GLY QA 2 37 GLU QB 6.200 . 6.510 4.094 3.883 4.627 . 0 0 "[ . 1]" 1
1095 2 37 GLU H 2 37 GLU HA 3.000 . 3.150 2.516 2.244 2.911 . 0 0 "[ . 1]" 1
1096 2 37 GLU H 2 37 GLU HB2 4.000 . 4.200 3.155 2.444 3.816 . 0 0 "[ . 1]" 1
1097 2 37 GLU H 2 37 GLU HB3 4.000 . 4.200 3.701 2.461 4.094 . 0 0 "[ . 1]" 1
1098 2 37 GLU HA 2 38 ARG H 3.000 . 3.150 2.511 2.133 3.438 0.288 8 0 "[ . 1]" 1
1099 2 37 GLU HB2 2 38 ARG H 4.000 . 4.200 3.783 2.911 4.618 0.418 4 0 "[ . 1]" 1
1100 2 37 GLU HB3 2 38 ARG H 4.000 . 4.200 3.138 1.580 4.455 0.255 1 0 "[ . 1]" 1
1101 2 37 GLU QB 2 38 ARG HA 4.600 . 4.830 4.110 3.735 4.686 . 0 0 "[ . 1]" 1
1102 2 37 GLU QG 2 38 ARG H 6.000 . 6.300 4.006 2.497 4.778 . 0 0 "[ . 1]" 1
1103 2 38 ARG H 2 38 ARG HB2 4.000 . 4.200 3.092 2.327 3.915 . 0 0 "[ . 1]" 1
1104 2 38 ARG H 2 38 ARG HB3 4.000 . 4.200 3.280 2.593 3.826 . 0 0 "[ . 1]" 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 84
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 791.458
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.1298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0942
_Distance_constraint_stats_list.Viol_average_violations_only 0.2168
_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 5 SER 0.058 0.051 7 0 "[ . 1]"
1 6 SER 0.093 0.038 10 0 "[ . 1]"
1 7 LEU 0.007 0.007 6 0 "[ . 1]"
1 8 GLU 0.001 0.001 7 0 "[ . 1]"
1 9 ALA 0.165 0.051 7 0 "[ . 1]"
1 10 VAL 0.156 0.063 6 0 "[ . 1]"
1 11 ARG 0.205 0.054 2 0 "[ . 1]"
1 12 ARG 0.001 0.001 7 0 "[ . 1]"
1 13 LYS 0.159 0.032 1 0 "[ . 1]"
1 14 ILE 0.147 0.063 6 0 "[ . 1]"
1 15 ARG 0.266 0.054 2 0 "[ . 1]"
1 16 SER 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.052 0.024 7 0 "[ . 1]"
1 18 GLN 0.131 0.048 2 0 "[ . 1]"
1 19 GLU 0.106 0.038 5 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 21 ASN 0.080 0.071 4 0 "[ . 1]"
1 22 TYR 0.629 0.149 2 0 "[ . 1]"
1 23 HIS 0.193 0.083 6 0 "[ . 1]"
1 24 LEU 0.004 0.004 5 0 "[ . 1]"
1 25 GLU 0.422 0.072 3 0 "[ . 1]"
1 26 ASN 0.730 0.149 2 0 "[ . 1]"
1 27 GLU 0.203 0.083 6 0 "[ . 1]"
1 28 VAL 0.012 0.008 9 0 "[ . 1]"
1 29 ALA 0.609 0.072 3 0 "[ . 1]"
1 30 ARG 0.255 0.098 4 0 "[ . 1]"
1 31 LEU 0.072 0.039 8 0 "[ . 1]"
1 32 LYS 0.227 0.080 6 0 "[ . 1]"
1 33 LYS 0.268 0.067 10 0 "[ . 1]"
1 34 LEU 0.107 0.072 7 0 "[ . 1]"
1 35 VAL 0.024 0.020 4 0 "[ . 1]"
1 36 GLY 0.219 0.080 6 0 "[ . 1]"
2 5 SER 2.332 0.325 1 0 "[ . 1]"
2 6 SER 2.702 0.359 5 0 "[ . 1]"
2 7 LEU 2.075 0.273 4 0 "[ . 1]"
2 8 GLU 2.819 0.342 3 0 "[ . 1]"
2 9 ALA 2.444 0.279 2 0 "[ . 1]"
2 10 VAL 2.779 0.307 9 0 "[ . 1]"
2 11 ARG 2.606 0.306 8 0 "[ . 1]"
2 12 ARG 2.919 0.339 2 0 "[ . 1]"
2 13 LYS 2.524 0.333 7 0 "[ . 1]"
2 14 ILE 3.479 0.362 1 0 "[ . 1]"
2 15 ARG 2.704 0.343 10 0 "[ . 1]"
2 16 SER 2.924 0.310 6 0 "[ . 1]"
2 17 LEU 2.632 0.328 7 0 "[ . 1]"
2 18 GLN 2.710 0.315 6 0 "[ . 1]"
2 19 GLU 2.693 0.351 5 0 "[ . 1]"
2 20 GLN 2.868 0.349 8 0 "[ . 1]"
2 21 ASN 2.505 0.359 1 0 "[ . 1]"
2 22 TYR 2.816 0.322 5 0 "[ . 1]"
2 23 HIS 2.609 0.318 9 0 "[ . 1]"
2 24 LEU 2.715 0.347 4 0 "[ . 1]"
2 25 GLU 2.860 0.362 8 0 "[ . 1]"
2 26 ASN 2.850 0.333 3 0 "[ . 1]"
2 27 GLU 2.550 0.311 10 0 "[ . 1]"
2 28 VAL 3.083 0.356 3 0 "[ . 1]"
2 29 ALA 2.671 0.299 5 0 "[ . 1]"
2 30 ARG 2.703 0.311 4 0 "[ . 1]"
2 31 LEU 2.440 0.291 7 0 "[ . 1]"
2 32 LYS 3.330 0.364 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 SER O 1 9 ALA H 2.000 . 2.100 1.965 1.853 2.151 0.051 7 0 "[ . 1]" 2
2 1 5 SER O 1 9 ALA N 3.000 . 3.150 2.881 2.778 3.053 . 0 0 "[ . 1]" 2
3 1 6 SER O 1 10 VAL H 2.000 . 2.100 2.025 1.848 2.138 0.038 10 0 "[ . 1]" 2
4 1 6 SER O 1 10 VAL N 3.000 . 3.150 2.988 2.823 3.102 . 0 0 "[ . 1]" 2
5 1 7 LEU O 1 11 ARG H 2.000 . 2.100 1.940 1.828 2.107 0.007 6 0 "[ . 1]" 2
6 1 7 LEU O 1 11 ARG N 3.000 . 3.150 2.881 2.764 3.079 . 0 0 "[ . 1]" 2
7 1 8 GLU O 1 12 ARG H 2.000 . 2.100 1.896 1.772 2.101 0.001 7 0 "[ . 1]" 2
8 1 8 GLU O 1 12 ARG N 3.000 . 3.150 2.846 2.711 3.060 . 0 0 "[ . 1]" 2
9 1 9 ALA O 1 13 LYS H 2.000 . 2.100 2.020 1.837 2.132 0.032 1 0 "[ . 1]" 2
10 1 9 ALA O 1 13 LYS N 3.000 . 3.150 2.922 2.746 3.065 . 0 0 "[ . 1]" 2
11 1 10 VAL O 1 14 ILE H 2.000 . 2.100 1.911 1.772 2.163 0.063 6 0 "[ . 1]" 2
12 1 10 VAL O 1 14 ILE N 3.000 . 3.150 2.891 2.752 3.144 . 0 0 "[ . 1]" 2
13 1 11 ARG O 1 15 ARG H 2.000 . 2.100 2.075 1.892 2.154 0.054 2 0 "[ . 1]" 2
14 1 11 ARG O 1 15 ARG N 3.000 . 3.150 2.993 2.811 3.083 . 0 0 "[ . 1]" 2
15 1 12 ARG O 1 16 SER H 2.000 . 2.100 1.987 1.846 2.093 . 0 0 "[ . 1]" 2
16 1 12 ARG O 1 16 SER N 3.000 . 3.150 2.917 2.785 3.010 . 0 0 "[ . 1]" 2
17 1 13 LYS O 1 17 LEU H 2.000 . 2.100 1.959 1.748 2.124 0.024 7 0 "[ . 1]" 2
18 1 13 LYS O 1 17 LEU N 3.000 . 3.150 2.892 2.672 3.068 . 0 0 "[ . 1]" 2
19 1 14 ILE O 1 18 GLN H 2.000 . 2.100 1.986 1.831 2.148 0.048 2 0 "[ . 1]" 2
20 1 14 ILE O 1 18 GLN N 3.000 . 3.150 2.930 2.774 3.130 . 0 0 "[ . 1]" 2
21 1 15 ARG O 1 19 GLU H 2.000 . 2.100 2.000 1.760 2.135 0.035 6 0 "[ . 1]" 2
22 1 15 ARG O 1 19 GLU N 3.000 . 3.150 2.953 2.722 3.094 . 0 0 "[ . 1]" 2
23 1 16 SER O 1 20 GLN H 2.000 . 2.100 1.868 1.750 2.019 . 0 0 "[ . 1]" 2
24 1 16 SER O 1 20 GLN N 3.000 . 3.150 2.810 2.693 2.962 . 0 0 "[ . 1]" 2
25 1 17 LEU O 1 21 ASN H 2.000 . 2.100 1.858 1.733 1.933 . 0 0 "[ . 1]" 2
26 1 17 LEU O 1 21 ASN N 3.000 . 3.150 2.796 2.651 2.868 . 0 0 "[ . 1]" 2
27 1 18 GLN O 1 22 TYR H 2.000 . 2.100 1.983 1.828 2.130 0.030 1 0 "[ . 1]" 2
28 1 18 GLN O 1 22 TYR N 3.000 . 3.150 2.933 2.777 3.100 . 0 0 "[ . 1]" 2
29 1 19 GLU O 1 23 HIS H 2.000 . 2.100 1.936 1.793 2.138 0.038 5 0 "[ . 1]" 2
30 1 19 GLU O 1 23 HIS N 3.000 . 3.150 2.869 2.698 3.085 . 0 0 "[ . 1]" 2
31 1 20 GLN O 1 24 LEU H 2.000 . 2.100 1.871 1.728 2.010 . 0 0 "[ . 1]" 2
32 1 20 GLN O 1 24 LEU N 3.000 . 3.150 2.799 2.689 2.943 . 0 0 "[ . 1]" 2
33 1 21 ASN O 1 25 GLU H 2.000 . 2.100 1.905 1.697 2.171 0.071 4 0 "[ . 1]" 2
34 1 21 ASN O 1 25 GLU N 3.000 . 3.150 2.834 2.637 3.151 0.001 4 0 "[ . 1]" 2
35 1 22 TYR O 1 26 ASN H 2.000 . 2.100 2.127 1.905 2.249 0.149 2 0 "[ . 1]" 2
36 1 22 TYR O 1 26 ASN N 3.000 . 3.150 3.088 2.857 3.208 0.058 2 0 "[ . 1]" 2
37 1 23 HIS O 1 27 GLU H 2.000 . 2.100 1.975 1.726 2.183 0.083 6 0 "[ . 1]" 2
38 1 23 HIS O 1 27 GLU N 3.000 . 3.150 2.859 2.646 3.124 . 0 0 "[ . 1]" 2
39 1 24 LEU O 1 28 VAL H 2.000 . 2.100 1.795 1.639 2.104 0.004 5 0 "[ . 1]" 2
40 1 24 LEU O 1 28 VAL N 3.000 . 3.150 2.767 2.620 3.082 . 0 0 "[ . 1]" 2
41 1 25 GLU O 1 29 ALA H 2.000 . 2.100 2.100 1.914 2.172 0.072 3 0 "[ . 1]" 2
42 1 25 GLU O 1 29 ALA N 3.000 . 3.150 2.989 2.856 3.077 . 0 0 "[ . 1]" 2
43 1 26 ASN O 1 30 ARG H 2.000 . 2.100 2.036 1.864 2.198 0.098 4 0 "[ . 1]" 2
44 1 26 ASN O 1 30 ARG N 3.000 . 3.150 2.950 2.747 3.131 . 0 0 "[ . 1]" 2
45 1 27 GLU O 1 31 LEU H 2.000 . 2.100 2.014 1.846 2.139 0.039 8 0 "[ . 1]" 2
46 1 27 GLU O 1 31 LEU N 3.000 . 3.150 2.933 2.740 3.077 . 0 0 "[ . 1]" 2
47 1 28 VAL O 1 32 LYS H 2.000 . 2.100 1.872 1.721 2.108 0.008 9 0 "[ . 1]" 2
48 1 28 VAL O 1 32 LYS N 3.000 . 3.150 2.841 2.689 3.058 . 0 0 "[ . 1]" 2
49 1 29 ALA O 1 33 LYS H 2.000 . 2.100 2.112 1.956 2.167 0.067 10 0 "[ . 1]" 2
50 1 29 ALA O 1 33 LYS N 3.000 . 3.150 2.960 2.777 3.052 . 0 0 "[ . 1]" 2
51 1 30 ARG O 1 34 LEU H 2.000 . 2.100 2.050 1.957 2.172 0.072 7 0 "[ . 1]" 2
52 1 30 ARG O 1 34 LEU N 3.000 . 3.150 2.895 2.838 2.975 . 0 0 "[ . 1]" 2
53 1 31 LEU O 1 35 VAL H 2.000 . 2.100 1.953 1.831 2.120 0.020 4 0 "[ . 1]" 2
54 1 31 LEU O 1 35 VAL N 3.000 . 3.150 2.914 2.795 3.075 . 0 0 "[ . 1]" 2
55 1 32 LYS O 1 36 GLY H 2.000 . 2.100 2.096 1.939 2.180 0.080 6 0 "[ . 1]" 2
56 1 32 LYS O 1 36 GLY N 3.000 . 3.150 2.873 2.783 2.998 . 0 0 "[ . 1]" 2
57 2 5 SER N 2 5 SER O 3.000 . 3.150 3.383 3.234 3.475 0.325 1 0 "[ . 1]" 2
58 2 6 SER N 2 6 SER O 3.000 . 3.150 3.420 3.270 3.509 0.359 5 0 "[ . 1]" 2
59 2 7 LEU N 2 7 LEU O 3.000 . 3.150 3.357 3.294 3.423 0.273 4 0 "[ . 1]" 2
60 2 8 GLU N 2 8 GLU O 3.000 . 3.150 3.432 3.363 3.492 0.342 3 0 "[ . 1]" 2
61 2 9 ALA N 2 9 ALA O 3.000 . 3.150 3.394 3.364 3.429 0.279 2 0 "[ . 1]" 2
62 2 10 VAL N 2 10 VAL O 3.000 . 3.150 3.428 3.381 3.457 0.307 9 0 "[ . 1]" 2
63 2 11 ARG N 2 11 ARG O 3.000 . 3.150 3.411 3.348 3.456 0.306 8 0 "[ . 1]" 2
64 2 12 ARG N 2 12 ARG O 3.000 . 3.150 3.442 3.382 3.489 0.339 2 0 "[ . 1]" 2
65 2 13 LYS N 2 13 LYS O 3.000 . 3.150 3.402 3.351 3.483 0.333 7 0 "[ . 1]" 2
66 2 14 ILE N 2 14 ILE O 3.000 . 3.150 3.498 3.479 3.512 0.362 1 0 "[ . 1]" 2
67 2 15 ARG N 2 15 ARG O 3.000 . 3.150 3.420 3.363 3.493 0.343 10 0 "[ . 1]" 2
68 2 16 SER N 2 16 SER O 3.000 . 3.150 3.442 3.423 3.460 0.310 6 0 "[ . 1]" 2
69 2 17 LEU N 2 17 LEU O 3.000 . 3.150 3.413 3.352 3.478 0.328 7 0 "[ . 1]" 2
70 2 18 GLN N 2 18 GLN O 3.000 . 3.150 3.421 3.392 3.465 0.315 6 0 "[ . 1]" 2
71 2 19 GLU N 2 19 GLU O 3.000 . 3.150 3.419 3.328 3.501 0.351 5 0 "[ . 1]" 2
72 2 20 GLN N 2 20 GLN O 3.000 . 3.150 3.437 3.358 3.499 0.349 8 0 "[ . 1]" 2
73 2 21 ASN N 2 21 ASN O 3.000 . 3.150 3.400 3.308 3.509 0.359 1 0 "[ . 1]" 2
74 2 22 TYR N 2 22 TYR O 3.000 . 3.150 3.432 3.358 3.472 0.322 5 0 "[ . 1]" 2
75 2 23 HIS N 2 23 HIS O 3.000 . 3.150 3.411 3.356 3.468 0.318 9 0 "[ . 1]" 2
76 2 24 LEU N 2 24 LEU O 3.000 . 3.150 3.422 3.370 3.497 0.347 4 0 "[ . 1]" 2
77 2 25 GLU N 2 25 GLU O 3.000 . 3.150 3.436 3.380 3.512 0.362 8 0 "[ . 1]" 2
78 2 26 ASN N 2 26 ASN O 3.000 . 3.150 3.435 3.407 3.483 0.333 3 0 "[ . 1]" 2
79 2 27 GLU N 2 27 GLU O 3.000 . 3.150 3.405 3.359 3.461 0.311 10 0 "[ . 1]" 2
80 2 28 VAL N 2 28 VAL O 3.000 . 3.150 3.458 3.365 3.506 0.356 3 0 "[ . 1]" 2
81 2 29 ALA N 2 29 ALA O 3.000 . 3.150 3.417 3.383 3.449 0.299 5 0 "[ . 1]" 2
82 2 30 ARG N 2 30 ARG O 3.000 . 3.150 3.420 3.378 3.461 0.311 4 0 "[ . 1]" 2
83 2 31 LEU N 2 31 LEU O 3.000 . 3.150 3.394 3.337 3.441 0.291 7 0 "[ . 1]" 2
84 2 32 LYS N 2 32 LYS O 3.000 . 3.150 3.483 3.409 3.514 0.364 3 0 "[ . 1]" 2
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