NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378231 |
1h0z   |
5551 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h0z
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 600
_Distance_constraint_stats_list.Viol_count 1357
_Distance_constraint_stats_list.Viol_total 1626.364
_Distance_constraint_stats_list.Viol_max 0.937
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.060 0.055 2 0 "[ . 1 . 2 ]"
1 2 SER 0.562 0.362 20 0 "[ . 1 . 2 ]"
1 3 GLY 3.409 0.362 20 0 "[ . 1 . 2 ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 ALA 0.018 0.016 1 0 "[ . 1 . 2 ]"
1 6 THR 0.690 0.055 2 0 "[ . 1 . 2 ]"
1 7 SER 3.501 0.803 3 3 "[ + . -* 1 . 2 ]"
1 8 TYR 0.382 0.032 20 0 "[ . 1 . 2 ]"
1 9 ALA 1.184 0.048 21 0 "[ . 1 . 2 ]"
1 10 GLU 0.895 0.048 21 0 "[ . 1 . 2 ]"
1 11 LEU 2.808 0.073 11 0 "[ . 1 . 2 ]"
1 12 CYS 2.331 0.073 11 0 "[ . 1 . 2 ]"
1 13 ASN 2.428 0.102 13 0 "[ . 1 . 2 ]"
1 14 GLU 8.187 0.790 9 6 "[ * . +1 - * **]"
1 15 TYR 1.634 0.102 12 0 "[ . 1 . 2 ]"
1 16 ARG 2.055 0.173 5 0 "[ . 1 . 2 ]"
1 17 LYS 4.023 0.621 12 1 "[ . 1 + . 2 ]"
1 18 LEU 0.736 0.084 13 0 "[ . 1 . 2 ]"
1 19 VAL 0.040 0.030 7 0 "[ . 1 . 2 ]"
1 20 ARG 9.071 0.937 1 5 "[+ *- * 1 . 2*]"
1 21 ASN 8.534 0.897 8 7 "[* *. -+*1 . * *2 ]"
1 22 GLY 5.871 0.293 5 0 "[ . 1 . 2 ]"
1 23 LYS 6.109 0.463 12 0 "[ . 1 . 2 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 0.116 0.048 19 0 "[ . 1 . 2 ]"
1 26 CYS 1.872 0.325 15 0 "[ . 1 . 2 ]"
1 27 THR 2.019 0.325 15 0 "[ . 1 . 2 ]"
1 28 ARG 0.304 0.057 15 0 "[ . 1 . 2 ]"
1 29 GLU 0.095 0.018 10 0 "[ . 1 . 2 ]"
1 30 ASN 5.843 0.606 6 6 "[ **.+ 1 . **- ]"
1 31 ASP 0.062 0.017 21 0 "[ . 1 . 2 ]"
1 32 PRO 1.442 0.077 4 0 "[ . 1 . 2 ]"
1 33 ILE 3.083 0.077 4 0 "[ . 1 . 2 ]"
1 34 GLN 1.839 0.189 20 0 "[ . 1 . 2 ]"
1 35 GLY 0.673 0.189 20 0 "[ . 1 . 2 ]"
1 36 PRO 0.096 0.035 12 0 "[ . 1 . 2 ]"
1 37 ASP 2.894 0.682 10 1 "[ . + . 2 ]"
1 38 GLY 1.675 0.101 13 0 "[ . 1 . 2 ]"
1 39 LYS 0.112 0.023 12 0 "[ . 1 . 2 ]"
1 40 VAL 0.036 0.012 10 0 "[ . 1 . 2 ]"
1 41 HIS 1.291 0.682 10 1 "[ . + . 2 ]"
1 42 GLY 0.033 0.012 17 0 "[ . 1 . 2 ]"
1 43 ASN 1.793 0.092 9 0 "[ . 1 . 2 ]"
1 44 THR 3.623 0.092 9 0 "[ . 1 . 2 ]"
1 45 CYS 2.702 0.319 4 0 "[ . 1 . 2 ]"
1 46 SER 0.508 0.064 20 0 "[ . 1 . 2 ]"
1 47 MET 1.534 0.076 10 0 "[ . 1 . 2 ]"
1 48 CYS 1.134 0.076 10 0 "[ . 1 . 2 ]"
1 49 GLU 2.431 0.101 11 0 "[ . 1 . 2 ]"
1 50 VAL 0.860 0.055 2 0 "[ . 1 . 2 ]"
1 51 PHE 3.721 0.103 12 0 "[ . 1 . 2 ]"
1 52 PHE 4.567 0.103 12 0 "[ . 1 . 2 ]"
1 53 GLN 1.193 0.119 9 0 "[ . 1 . 2 ]"
1 54 ALA 0.707 0.040 2 0 "[ . 1 . 2 ]"
1 55 GLU 1.012 0.056 12 0 "[ . 1 . 2 ]"
1 56 GLU 0.481 0.056 12 0 "[ . 1 . 2 ]"
1 57 GLU 0.021 0.009 12 0 "[ . 1 . 2 ]"
1 58 GLU 0.127 0.022 5 0 "[ . 1 . 2 ]"
1 59 LYS 0.166 0.029 18 0 "[ . 1 . 2 ]"
1 60 LYS 1.429 0.168 5 0 "[ . 1 . 2 ]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LYS 0.005 0.003 21 0 "[ . 1 . 2 ]"
1 63 GLU 2.021 0.337 10 0 "[ . 1 . 2 ]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLU 0.002 0.002 21 0 "[ . 1 . 2 ]"
1 66 SER 0.002 0.002 21 0 "[ . 1 . 2 ]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 SER H 0.000 . 3.500 2.646 2.218 3.555 0.055 2 0 "[ . 1 . 2 ]" 1
2 1 2 SER HA 1 3 GLY H 0.000 . 3.500 2.802 2.223 3.561 0.061 20 0 "[ . 1 . 2 ]" 1
3 1 2 SER HA 1 3 GLY HA2 0.000 . 5.000 4.622 4.406 5.362 0.362 20 0 "[ . 1 . 2 ]" 1
4 1 3 GLY H 1 3 GLY HA2 0.000 . 2.700 2.761 2.358 2.989 0.289 15 0 "[ . 1 . 2 ]" 1
5 1 3 GLY H 1 4 LYS H 0.000 . 5.000 3.971 2.355 4.699 . 0 0 "[ . 1 . 2 ]" 1
6 1 4 LYS H 1 5 ALA H 0.000 . 5.000 3.900 2.443 4.668 . 0 0 "[ . 1 . 2 ]" 1
7 1 4 LYS QB 1 5 ALA H 0.000 . 5.000 3.074 2.210 3.884 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 LYS QD 1 5 ALA H 0.000 . 5.000 4.311 2.837 4.724 . 0 0 "[ . 1 . 2 ]" 1
9 1 5 ALA H 1 6 THR H 0.000 . 3.500 2.693 2.469 3.458 . 0 0 "[ . 1 . 2 ]" 1
10 1 5 ALA HA 1 6 THR H 0.000 . 3.500 3.440 2.757 3.516 0.016 1 0 "[ . 1 . 2 ]" 1
11 1 5 ALA MB 1 6 THR H 0.000 . 5.000 2.942 2.710 3.717 . 0 0 "[ . 1 . 2 ]" 1
12 1 6 THR HA 1 7 SER H 0.000 . 2.700 2.515 2.367 2.751 0.051 7 0 "[ . 1 . 2 ]" 1
13 1 6 THR HA 1 11 LEU QD 0.000 . 5.000 4.730 4.062 5.006 0.006 8 0 "[ . 1 . 2 ]" 1
14 1 6 THR HB 1 7 SER H 0.000 . 3.500 3.502 3.329 3.555 0.055 2 0 "[ . 1 . 2 ]" 1
15 1 6 THR MG 1 7 SER H 0.000 . 3.500 2.262 1.804 3.188 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 THR MG 1 7 SER HA 0.000 . 5.000 4.073 3.786 4.454 . 0 0 "[ . 1 . 2 ]" 1
17 1 6 THR MG 1 8 TYR QD 0.000 . 5.000 4.567 4.353 4.752 . 0 0 "[ . 1 . 2 ]" 1
18 1 6 THR MG 1 8 TYR QE 0.000 . 5.000 5.001 4.923 5.032 0.032 20 0 "[ . 1 . 2 ]" 1
19 1 6 THR MG 1 10 GLU QB 0.000 . 5.000 3.605 3.146 3.994 . 0 0 "[ . 1 . 2 ]" 1
20 1 6 THR MG 1 10 GLU QG 0.000 . 5.000 4.887 4.018 5.007 0.007 18 0 "[ . 1 . 2 ]" 1
21 1 6 THR MG 1 11 LEU H 0.000 . 5.000 3.830 3.219 4.588 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 SER H 1 7 SER HB2 0.000 . 3.500 3.190 2.135 3.580 0.080 2 0 "[ . 1 . 2 ]" 1
23 1 7 SER H 1 7 SER HB3 0.000 . 2.700 2.702 2.163 3.503 0.803 3 3 "[ + . -* 1 . 2 ]" 1
24 1 7 SER H 1 11 LEU QD 0.000 . 5.000 4.052 3.444 4.662 . 0 0 "[ . 1 . 2 ]" 1
25 1 7 SER HA 1 8 TYR QD 0.000 . 5.000 4.466 3.915 4.669 . 0 0 "[ . 1 . 2 ]" 1
26 1 7 SER HA 1 9 ALA H 0.000 . 5.000 4.326 4.103 4.707 . 0 0 "[ . 1 . 2 ]" 1
27 1 7 SER HA 1 10 GLU H 0.000 . 5.000 4.498 4.393 4.671 . 0 0 "[ . 1 . 2 ]" 1
28 1 7 SER HA 1 10 GLU QB 0.000 . 5.000 4.607 4.252 4.879 . 0 0 "[ . 1 . 2 ]" 1
29 1 7 SER HB2 1 9 ALA H 0.000 . 5.000 4.780 3.297 5.016 0.016 15 0 "[ . 1 . 2 ]" 1
30 1 7 SER HB2 1 10 GLU H 0.000 . 5.000 4.267 3.251 4.690 . 0 0 "[ . 1 . 2 ]" 1
31 1 7 SER HB2 1 10 GLU QB 0.000 . 5.000 3.892 2.373 4.580 . 0 0 "[ . 1 . 2 ]" 1
32 1 7 SER HB3 1 9 ALA H 0.000 . 5.000 4.436 3.319 5.025 0.025 11 0 "[ . 1 . 2 ]" 1
33 1 7 SER HB3 1 10 GLU H 0.000 . 5.000 3.293 2.541 4.630 . 0 0 "[ . 1 . 2 ]" 1
34 1 8 TYR H 1 9 ALA H 0.000 . 3.500 2.955 2.643 3.127 . 0 0 "[ . 1 . 2 ]" 1
35 1 8 TYR H 1 10 GLU H 0.000 . 5.000 4.112 3.876 4.369 . 0 0 "[ . 1 . 2 ]" 1
36 1 8 TYR HA 1 9 ALA H 0.000 . 5.000 3.589 3.579 3.597 . 0 0 "[ . 1 . 2 ]" 1
37 1 8 TYR HA 1 11 LEU HB2 0.000 . 3.500 2.961 2.470 3.445 . 0 0 "[ . 1 . 2 ]" 1
38 1 8 TYR HA 1 11 LEU HB3 0.000 . 5.000 2.312 1.991 2.922 . 0 0 "[ . 1 . 2 ]" 1
39 1 8 TYR HA 1 11 LEU QD 0.000 . 5.000 3.122 2.629 3.396 . 0 0 "[ . 1 . 2 ]" 1
40 1 8 TYR HB2 1 9 ALA H 0.000 . 3.500 2.299 2.105 2.486 . 0 0 "[ . 1 . 2 ]" 1
41 1 8 TYR HB2 1 51 PHE QD 0.000 . 5.000 3.944 3.638 4.251 . 0 0 "[ . 1 . 2 ]" 1
42 1 8 TYR HB2 1 51 PHE QE 0.000 . 5.000 3.406 3.122 3.844 . 0 0 "[ . 1 . 2 ]" 1
43 1 8 TYR HB3 1 9 ALA H 0.000 . 5.000 3.389 3.217 3.629 . 0 0 "[ . 1 . 2 ]" 1
44 1 8 TYR HB3 1 11 LEU QD 0.000 . 5.000 4.611 3.990 4.943 . 0 0 "[ . 1 . 2 ]" 1
45 1 8 TYR HB3 1 51 PHE QD 0.000 . 5.000 3.347 2.900 3.630 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 TYR HB3 1 51 PHE QE 0.000 . 5.000 3.587 3.384 3.839 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 TYR QD 1 11 LEU H 0.000 . 5.000 4.678 4.328 4.965 . 0 0 "[ . 1 . 2 ]" 1
48 1 8 TYR QD 1 11 LEU QD 0.000 . 3.500 2.738 2.354 2.979 . 0 0 "[ . 1 . 2 ]" 1
49 1 8 TYR QD 1 36 PRO HB3 0.000 . 5.000 4.561 3.981 4.908 . 0 0 "[ . 1 . 2 ]" 1
50 1 8 TYR QE 1 11 LEU QD 0.000 . 3.500 3.488 3.394 3.520 0.020 7 0 "[ . 1 . 2 ]" 1
51 1 8 TYR QE 1 35 GLY HA3 0.000 . 5.000 4.984 4.846 5.018 0.018 2 0 "[ . 1 . 2 ]" 1
52 1 8 TYR QE 1 36 PRO HB3 0.000 . 5.000 2.479 2.031 2.792 . 0 0 "[ . 1 . 2 ]" 1
53 1 9 ALA H 1 10 GLU H 0.000 . 3.500 2.840 2.708 2.928 . 0 0 "[ . 1 . 2 ]" 1
54 1 9 ALA H 1 51 PHE QE 0.000 . 3.500 3.515 3.494 3.529 0.029 5 0 "[ . 1 . 2 ]" 1
55 1 9 ALA H 1 51 PHE HZ 0.000 . 5.000 3.005 2.764 3.929 . 0 0 "[ . 1 . 2 ]" 1
56 1 9 ALA HA 1 10 GLU H 0.000 . 3.500 3.516 3.488 3.548 0.048 21 0 "[ . 1 . 2 ]" 1
57 1 9 ALA HA 1 11 LEU H 0.000 . 5.000 4.697 4.386 4.999 . 0 0 "[ . 1 . 2 ]" 1
58 1 9 ALA HA 1 12 CYS H 0.000 . 5.000 4.514 4.184 4.707 . 0 0 "[ . 1 . 2 ]" 1
59 1 9 ALA HA 1 12 CYS HB2 0.000 . 5.000 3.742 3.279 4.062 . 0 0 "[ . 1 . 2 ]" 1
60 1 9 ALA HA 1 12 CYS HB3 0.000 . 5.000 4.952 4.575 5.021 0.021 7 0 "[ . 1 . 2 ]" 1
61 1 9 ALA HA 1 13 ASN H 0.000 . 5.000 4.317 4.118 4.572 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 ALA HA 1 51 PHE QD 0.000 . 5.000 4.282 4.082 4.430 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 ALA HA 1 51 PHE QE 0.000 . 3.500 2.006 1.868 2.130 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 ALA HA 1 51 PHE HZ 0.000 . 5.000 2.376 1.895 3.095 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 ALA MB 1 10 GLU H 0.000 . 3.500 2.748 2.640 2.880 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 ALA MB 1 10 GLU QB 0.000 . 5.000 3.870 3.382 4.292 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 ALA MB 1 10 GLU QG 0.000 . 5.000 3.820 2.558 5.004 0.004 3 0 "[ . 1 . 2 ]" 1
68 1 9 ALA MB 1 51 PHE QD 0.000 . 5.000 4.975 4.764 5.028 0.028 14 0 "[ . 1 . 2 ]" 1
69 1 9 ALA MB 1 51 PHE QE 0.000 . 3.500 3.265 3.084 3.360 . 0 0 "[ . 1 . 2 ]" 1
70 1 10 GLU H 1 11 LEU H 0.000 . 2.700 2.240 2.127 2.420 . 0 0 "[ . 1 . 2 ]" 1
71 1 10 GLU H 1 11 LEU HB2 0.000 . 5.000 4.260 4.084 4.586 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 GLU H 1 11 LEU HB3 0.000 . 5.000 4.604 4.204 5.008 0.008 14 0 "[ . 1 . 2 ]" 1
73 1 10 GLU H 1 11 LEU QD 0.000 . 5.000 5.006 4.806 5.044 0.044 7 0 "[ . 1 . 2 ]" 1
74 1 10 GLU H 1 12 CYS H 0.000 . 5.000 4.204 3.875 4.471 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 GLU HA 1 13 ASN H 0.000 . 5.000 3.669 3.568 3.855 . 0 0 "[ . 1 . 2 ]" 1
76 1 10 GLU HA 1 13 ASN HB2 0.000 . 3.500 2.222 2.008 2.409 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 GLU HA 1 13 ASN HB3 0.000 . 3.500 3.448 3.248 3.525 0.025 15 0 "[ . 1 . 2 ]" 1
78 1 10 GLU HA 1 13 ASN HD21 0.000 . 5.000 3.281 2.310 4.462 . 0 0 "[ . 1 . 2 ]" 1
79 1 10 GLU HA 1 13 ASN HD22 0.000 . 5.000 4.500 3.953 5.001 0.001 18 0 "[ . 1 . 2 ]" 1
80 1 10 GLU QB 1 11 LEU H 0.000 . 3.500 2.578 2.363 2.795 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 GLU QG 1 11 LEU H 0.000 . 5.000 3.930 3.740 4.123 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 LEU H 1 12 CYS H 0.000 . 3.500 2.767 2.597 3.014 . 0 0 "[ . 1 . 2 ]" 1
83 1 11 LEU H 1 13 ASN HB2 0.000 . 5.000 4.224 3.962 4.381 . 0 0 "[ . 1 . 2 ]" 1
84 1 11 LEU H 1 13 ASN HB3 0.000 . 5.000 5.034 5.013 5.064 0.064 8 0 "[ . 1 . 2 ]" 1
85 1 11 LEU HA 1 12 CYS H 0.000 . 3.500 3.569 3.563 3.573 0.073 11 0 "[ . 1 . 2 ]" 1
86 1 11 LEU HB2 1 12 CYS H 0.000 . 3.500 3.370 3.105 3.541 0.041 12 0 "[ . 1 . 2 ]" 1
87 1 11 LEU HB3 1 12 CYS H 0.000 . 3.500 2.020 1.875 2.192 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 LEU QD 1 12 CYS H 0.000 . 3.500 3.311 2.277 3.517 0.017 3 0 "[ . 1 . 2 ]" 1
89 1 11 LEU QD 1 12 CYS HA 0.000 . 5.000 3.994 2.569 4.290 . 0 0 "[ . 1 . 2 ]" 1
90 1 11 LEU QD 1 15 TYR QE 0.000 . 5.000 4.330 3.057 4.763 . 0 0 "[ . 1 . 2 ]" 1
91 1 11 LEU QD 1 44 THR MG 0.000 . 3.500 3.225 2.375 3.526 0.026 2 0 "[ . 1 . 2 ]" 1
92 1 12 CYS H 1 13 ASN H 0.000 . 2.700 2.627 2.540 2.681 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 CYS H 1 13 ASN HB2 0.000 . 5.000 4.581 4.462 4.670 . 0 0 "[ . 1 . 2 ]" 1
94 1 12 CYS HA 1 12 CYS HB3 0.000 . 2.700 2.631 2.549 2.683 . 0 0 "[ . 1 . 2 ]" 1
95 1 12 CYS HA 1 13 ASN H 0.000 . 3.500 3.417 3.391 3.457 . 0 0 "[ . 1 . 2 ]" 1
96 1 12 CYS HA 1 14 GLU H 0.000 . 5.000 4.084 3.828 4.213 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 CYS HA 1 15 TYR H 0.000 . 3.500 3.441 3.299 3.509 0.009 20 0 "[ . 1 . 2 ]" 1
98 1 12 CYS HA 1 15 TYR HB2 0.000 . 5.000 3.311 3.113 3.556 . 0 0 "[ . 1 . 2 ]" 1
99 1 12 CYS HA 1 15 TYR HB3 0.000 . 5.000 4.863 4.657 5.013 0.013 21 0 "[ . 1 . 2 ]" 1
100 1 12 CYS HA 1 15 TYR QD 0.000 . 3.500 1.878 1.830 2.019 . 0 0 "[ . 1 . 2 ]" 1
101 1 12 CYS HA 1 15 TYR QE 0.000 . 3.500 3.360 2.828 3.536 0.036 6 0 "[ . 1 . 2 ]" 1
102 1 12 CYS HA 1 44 THR MG 0.000 . 5.000 3.934 3.476 4.389 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 CYS HA 1 48 CYS QB 0.000 . 5.000 3.684 3.329 4.018 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 CYS HA 1 51 PHE QD 0.000 . 5.000 5.000 4.920 5.045 0.045 12 0 "[ . 1 . 2 ]" 1
105 1 12 CYS HA 1 52 PHE QE 0.000 . 5.000 4.464 4.106 4.782 . 0 0 "[ . 1 . 2 ]" 1
106 1 12 CYS HA 1 52 PHE HZ 0.000 . 5.000 4.848 3.994 5.033 0.033 11 0 "[ . 1 . 2 ]" 1
107 1 12 CYS HB2 1 13 ASN H 0.000 . 5.000 3.219 3.107 3.332 . 0 0 "[ . 1 . 2 ]" 1
108 1 12 CYS HB2 1 51 PHE QD 0.000 . 5.000 2.635 2.527 2.741 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 CYS HB2 1 51 PHE QE 0.000 . 5.000 2.796 2.495 3.176 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 CYS HB3 1 13 ASN H 0.000 . 5.000 3.883 3.778 4.006 . 0 0 "[ . 1 . 2 ]" 1
111 1 12 CYS HB3 1 48 CYS QB 0.000 . 5.000 2.855 2.554 3.060 . 0 0 "[ . 1 . 2 ]" 1
112 1 12 CYS HB3 1 51 PHE QD 0.000 . 5.000 2.691 2.528 2.844 . 0 0 "[ . 1 . 2 ]" 1
113 1 12 CYS HB3 1 51 PHE QE 0.000 . 5.000 3.597 3.354 3.796 . 0 0 "[ . 1 . 2 ]" 1
114 1 12 CYS HB3 1 52 PHE HZ 0.000 . 3.500 3.301 2.620 3.510 0.010 15 0 "[ . 1 . 2 ]" 1
115 1 13 ASN H 1 14 GLU H 0.000 . 3.500 3.034 2.907 3.091 . 0 0 "[ . 1 . 2 ]" 1
116 1 13 ASN H 1 51 PHE QE 0.000 . 5.000 4.635 4.243 5.012 0.012 14 0 "[ . 1 . 2 ]" 1
117 1 13 ASN HA 1 14 GLU H 0.000 . 5.000 3.573 3.555 3.579 . 0 0 "[ . 1 . 2 ]" 1
118 1 13 ASN HA 1 15 TYR H 0.000 . 5.000 3.784 3.641 4.039 . 0 0 "[ . 1 . 2 ]" 1
119 1 13 ASN HA 1 16 ARG H 0.000 . 3.500 3.223 2.945 3.503 0.003 17 0 "[ . 1 . 2 ]" 1
120 1 13 ASN HA 1 16 ARG HA 0.000 . 5.000 4.729 4.447 5.007 0.007 7 0 "[ . 1 . 2 ]" 1
121 1 13 ASN HA 1 16 ARG HB2 0.000 . 5.000 3.166 2.063 3.941 . 0 0 "[ . 1 . 2 ]" 1
122 1 13 ASN HA 1 16 ARG HB3 0.000 . 5.000 4.113 2.671 4.695 . 0 0 "[ . 1 . 2 ]" 1
123 1 13 ASN HA 1 16 ARG QD 0.000 . 5.000 2.800 2.054 3.939 . 0 0 "[ . 1 . 2 ]" 1
124 1 13 ASN HA 1 16 ARG HE 0.000 . 5.000 1.950 1.846 2.580 . 0 0 "[ . 1 . 2 ]" 1
125 1 13 ASN HA 1 16 ARG HG2 0.000 . 5.000 3.522 1.891 4.983 . 0 0 "[ . 1 . 2 ]" 1
126 1 13 ASN HA 1 16 ARG HG3 0.000 . 5.000 2.465 1.847 4.955 . 0 0 "[ . 1 . 2 ]" 1
127 1 13 ASN HA 1 52 PHE QE 0.000 . 5.000 4.192 3.661 4.490 . 0 0 "[ . 1 . 2 ]" 1
128 1 13 ASN HA 1 52 PHE HZ 0.000 . 3.500 3.456 3.231 3.522 0.022 10 0 "[ . 1 . 2 ]" 1
129 1 13 ASN HB2 1 14 GLU H 0.000 . 3.500 3.567 3.536 3.602 0.102 13 0 "[ . 1 . 2 ]" 1
130 1 13 ASN HB3 1 14 GLU H 0.000 . 3.500 2.234 2.135 2.431 . 0 0 "[ . 1 . 2 ]" 1
131 1 13 ASN HB3 1 14 GLU HA 0.000 . 5.000 4.087 4.010 4.153 . 0 0 "[ . 1 . 2 ]" 1
132 1 14 GLU H 1 14 GLU HB2 0.000 . 3.500 2.254 1.963 2.489 . 0 0 "[ . 1 . 2 ]" 1
133 1 14 GLU H 1 14 GLU HB3 0.000 . 2.700 2.827 2.416 3.490 0.790 9 6 "[ * . +1 - * **]" 1
134 1 14 GLU H 1 15 TYR H 0.000 . 3.500 2.839 2.758 2.896 . 0 0 "[ . 1 . 2 ]" 1
135 1 14 GLU H 1 16 ARG H 0.000 . 5.000 4.151 4.002 4.273 . 0 0 "[ . 1 . 2 ]" 1
136 1 14 GLU HA 1 15 TYR H 0.000 . 5.000 3.500 3.446 3.551 . 0 0 "[ . 1 . 2 ]" 1
137 1 14 GLU HA 1 16 ARG H 0.000 . 5.000 3.957 3.690 4.337 . 0 0 "[ . 1 . 2 ]" 1
138 1 14 GLU HA 1 17 LYS QD 0.000 . 5.000 4.566 4.207 5.018 0.018 4 0 "[ . 1 . 2 ]" 1
139 1 14 GLU HA 1 17 LYS QG 0.000 . 3.500 3.484 3.332 3.545 0.045 10 0 "[ . 1 . 2 ]" 1
140 1 14 GLU HB2 1 15 TYR H 0.000 . 5.000 3.782 3.059 4.203 . 0 0 "[ . 1 . 2 ]" 1
141 1 14 GLU HB2 1 17 LYS QE 0.000 . 5.000 5.027 4.467 5.621 0.621 12 1 "[ . 1 + . 2 ]" 1
142 1 14 GLU HB3 1 15 TYR H 0.000 . 5.000 3.110 2.713 3.716 . 0 0 "[ . 1 . 2 ]" 1
143 1 14 GLU HB3 1 15 TYR QE 0.000 . 5.000 3.867 3.189 4.753 . 0 0 "[ . 1 . 2 ]" 1
144 1 14 GLU QG 1 15 TYR H 0.000 . 5.000 4.093 3.707 4.562 . 0 0 "[ . 1 . 2 ]" 1
145 1 14 GLU QG 1 17 LYS QE 0.000 . 3.500 3.219 2.275 3.507 0.007 12 0 "[ . 1 . 2 ]" 1
146 1 15 TYR H 1 16 ARG H 0.000 . 3.500 2.343 2.105 2.533 . 0 0 "[ . 1 . 2 ]" 1
147 1 15 TYR H 1 16 ARG HA 0.000 . 5.000 4.849 4.669 5.009 0.009 4 0 "[ . 1 . 2 ]" 1
148 1 15 TYR H 1 16 ARG HB2 0.000 . 5.000 4.400 3.985 4.787 . 0 0 "[ . 1 . 2 ]" 1
149 1 15 TYR H 1 16 ARG HE 0.000 . 5.000 5.035 4.998 5.066 0.066 15 0 "[ . 1 . 2 ]" 1
150 1 15 TYR H 1 18 LEU QD 0.000 . 5.000 4.082 3.741 4.717 . 0 0 "[ . 1 . 2 ]" 1
151 1 15 TYR H 1 48 CYS QB 0.000 . 5.000 4.787 4.720 4.826 . 0 0 "[ . 1 . 2 ]" 1
152 1 15 TYR H 1 52 PHE HZ 0.000 . 5.000 3.566 3.160 3.939 . 0 0 "[ . 1 . 2 ]" 1
153 1 15 TYR HA 1 16 ARG H 0.000 . 3.500 3.389 3.247 3.491 . 0 0 "[ . 1 . 2 ]" 1
154 1 15 TYR HA 1 17 LYS H 0.000 . 5.000 3.655 3.392 3.915 . 0 0 "[ . 1 . 2 ]" 1
155 1 15 TYR HA 1 18 LEU H 0.000 . 5.000 3.338 2.775 3.595 . 0 0 "[ . 1 . 2 ]" 1
156 1 15 TYR HA 1 18 LEU QD 0.000 . 2.700 1.966 1.717 2.523 . 0 0 "[ . 1 . 2 ]" 1
157 1 15 TYR HA 1 24 LEU QD 0.000 . 5.000 3.339 2.952 3.713 . 0 0 "[ . 1 . 2 ]" 1
158 1 15 TYR HA 1 52 PHE QE 0.000 . 5.000 4.156 3.891 4.366 . 0 0 "[ . 1 . 2 ]" 1
159 1 15 TYR HA 1 52 PHE HZ 0.000 . 5.000 4.783 4.428 5.019 0.019 4 0 "[ . 1 . 2 ]" 1
160 1 15 TYR HB2 1 16 ARG H 0.000 . 5.000 3.284 2.928 3.614 . 0 0 "[ . 1 . 2 ]" 1
161 1 15 TYR HB2 1 19 VAL QG 0.000 . 5.000 3.785 3.327 4.012 . 0 0 "[ . 1 . 2 ]" 1
162 1 15 TYR HB2 1 24 LEU QD 0.000 . 5.000 3.075 2.782 3.409 . 0 0 "[ . 1 . 2 ]" 1
163 1 15 TYR HB2 1 52 PHE HZ 0.000 . 3.500 2.909 2.340 3.243 . 0 0 "[ . 1 . 2 ]" 1
164 1 15 TYR HB3 1 16 ARG H 0.000 . 5.000 4.079 3.793 4.324 . 0 0 "[ . 1 . 2 ]" 1
165 1 15 TYR HB3 1 18 LEU QD 0.000 . 3.500 3.221 2.924 3.465 . 0 0 "[ . 1 . 2 ]" 1
166 1 15 TYR HB3 1 19 VAL QG 0.000 . 5.000 3.180 2.748 3.531 . 0 0 "[ . 1 . 2 ]" 1
167 1 15 TYR HB3 1 24 LEU QD 0.000 . 3.500 1.949 1.714 2.294 . 0 0 "[ . 1 . 2 ]" 1
168 1 15 TYR HB3 1 48 CYS QB 0.000 . 5.000 3.118 2.977 3.424 . 0 0 "[ . 1 . 2 ]" 1
169 1 15 TYR HB3 1 52 PHE HZ 0.000 . 5.000 3.850 3.413 4.131 . 0 0 "[ . 1 . 2 ]" 1
170 1 15 TYR QD 1 16 ARG H 0.000 . 5.000 4.502 4.221 4.739 . 0 0 "[ . 1 . 2 ]" 1
171 1 15 TYR QD 1 18 LEU QD 0.000 . 2.700 1.932 1.701 2.237 . 0 0 "[ . 1 . 2 ]" 1
172 1 15 TYR QD 1 24 LEU QD 0.000 . 3.500 2.613 2.011 3.076 . 0 0 "[ . 1 . 2 ]" 1
173 1 15 TYR QD 1 44 THR MG 0.000 . 3.500 3.476 3.389 3.521 0.021 8 0 "[ . 1 . 2 ]" 1
174 1 15 TYR QD 1 45 CYS HB2 0.000 . 5.000 4.205 2.633 5.102 0.102 12 0 "[ . 1 . 2 ]" 1
175 1 15 TYR QD 1 48 CYS QB 0.000 . 5.000 3.220 2.669 3.448 . 0 0 "[ . 1 . 2 ]" 1
176 1 15 TYR QE 1 18 LEU QD 0.000 . 3.500 3.129 2.650 3.450 . 0 0 "[ . 1 . 2 ]" 1
177 1 15 TYR QE 1 24 LEU QD 0.000 . 5.000 4.057 3.472 4.352 . 0 0 "[ . 1 . 2 ]" 1
178 1 15 TYR QE 1 44 THR HB 0.000 . 3.500 3.459 3.188 3.523 0.023 17 0 "[ . 1 . 2 ]" 1
179 1 15 TYR QE 1 44 THR MG 0.000 . 3.500 1.932 1.728 2.165 . 0 0 "[ . 1 . 2 ]" 1
180 1 15 TYR QE 1 45 CYS H 0.000 . 5.000 3.737 2.983 4.289 . 0 0 "[ . 1 . 2 ]" 1
181 1 15 TYR QE 1 45 CYS HB2 0.000 . 5.000 3.935 1.895 4.808 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 TYR QE 1 45 CYS HB3 0.000 . 5.000 3.491 1.938 4.442 . 0 0 "[ . 1 . 2 ]" 1
183 1 15 TYR QE 1 48 CYS QB 0.000 . 5.000 4.166 3.779 4.329 . 0 0 "[ . 1 . 2 ]" 1
184 1 16 ARG H 1 17 LYS H 0.000 . 3.500 2.666 2.422 2.863 . 0 0 "[ . 1 . 2 ]" 1
185 1 16 ARG H 1 18 LEU H 0.000 . 5.000 4.008 3.801 4.179 . 0 0 "[ . 1 . 2 ]" 1
186 1 16 ARG H 1 19 VAL QG 0.000 . 5.000 3.949 3.522 4.296 . 0 0 "[ . 1 . 2 ]" 1
187 1 16 ARG H 1 52 PHE HZ 0.000 . 3.500 2.661 1.973 3.132 . 0 0 "[ . 1 . 2 ]" 1
188 1 16 ARG HA 1 17 LYS H 0.000 . 3.500 3.512 3.480 3.547 0.047 9 0 "[ . 1 . 2 ]" 1
189 1 16 ARG HA 1 18 LEU H 0.000 . 5.000 3.676 3.435 4.146 . 0 0 "[ . 1 . 2 ]" 1
190 1 16 ARG HA 1 19 VAL H 0.000 . 5.000 3.274 3.073 3.648 . 0 0 "[ . 1 . 2 ]" 1
191 1 16 ARG HA 1 19 VAL QG 0.000 . 3.500 2.167 1.853 2.983 . 0 0 "[ . 1 . 2 ]" 1
192 1 16 ARG HA 1 52 PHE QE 0.000 . 5.000 3.097 2.708 3.365 . 0 0 "[ . 1 . 2 ]" 1
193 1 16 ARG HA 1 52 PHE HZ 0.000 . 3.500 2.560 2.002 3.045 . 0 0 "[ . 1 . 2 ]" 1
194 1 16 ARG HB2 1 17 LYS H 0.000 . 5.000 3.034 2.564 4.145 . 0 0 "[ . 1 . 2 ]" 1
195 1 16 ARG HB2 1 52 PHE HZ 0.000 . 5.000 3.664 2.161 4.607 . 0 0 "[ . 1 . 2 ]" 1
196 1 16 ARG HB3 1 17 LYS H 0.000 . 5.000 3.542 2.754 3.924 . 0 0 "[ . 1 . 2 ]" 1
197 1 16 ARG HB3 1 52 PHE HZ 0.000 . 5.000 4.078 3.159 4.735 . 0 0 "[ . 1 . 2 ]" 1
198 1 16 ARG QD 1 17 LYS H 0.000 . 5.000 5.001 4.814 5.077 0.077 13 0 "[ . 1 . 2 ]" 1
199 1 16 ARG QD 1 19 VAL QG 0.000 . 5.000 4.602 3.312 4.854 . 0 0 "[ . 1 . 2 ]" 1
200 1 16 ARG QD 1 52 PHE HZ 0.000 . 5.000 3.914 2.682 4.968 . 0 0 "[ . 1 . 2 ]" 1
201 1 16 ARG HG2 1 17 LYS H 0.000 . 5.000 4.712 3.366 5.173 0.173 5 0 "[ . 1 . 2 ]" 1
202 1 16 ARG HG2 1 52 PHE HZ 0.000 . 5.000 2.744 1.911 5.035 0.035 6 0 "[ . 1 . 2 ]" 1
203 1 16 ARG HG3 1 52 PHE HZ 0.000 . 5.000 2.589 1.847 4.555 . 0 0 "[ . 1 . 2 ]" 1
204 1 17 LYS H 1 18 LEU H 0.000 . 3.500 2.506 2.399 2.585 . 0 0 "[ . 1 . 2 ]" 1
205 1 17 LYS H 1 18 LEU QD 0.000 . 5.000 2.932 2.346 3.894 . 0 0 "[ . 1 . 2 ]" 1
206 1 17 LYS H 1 18 LEU HG 0.000 . 5.000 4.344 3.314 5.084 0.084 13 0 "[ . 1 . 2 ]" 1
207 1 17 LYS H 1 19 VAL H 0.000 . 5.000 4.163 3.952 4.370 . 0 0 "[ . 1 . 2 ]" 1
208 1 17 LYS HA 1 18 LEU H 0.000 . 3.500 3.384 3.260 3.504 0.004 6 0 "[ . 1 . 2 ]" 1
209 1 17 LYS HA 1 18 LEU QD 0.000 . 5.000 3.844 3.612 4.349 . 0 0 "[ . 1 . 2 ]" 1
210 1 17 LYS HA 1 19 VAL H 0.000 . 5.000 4.535 4.050 4.999 . 0 0 "[ . 1 . 2 ]" 1
211 1 17 LYS QE 1 18 LEU QD 0.000 . 5.000 3.041 1.855 3.699 . 0 0 "[ . 1 . 2 ]" 1
212 1 17 LYS QG 1 18 LEU H 0.000 . 5.000 3.605 2.011 3.998 . 0 0 "[ . 1 . 2 ]" 1
213 1 17 LYS QG 1 18 LEU QD 0.000 . 3.500 3.037 1.788 3.476 . 0 0 "[ . 1 . 2 ]" 1
214 1 18 LEU H 1 18 LEU HB2 0.000 . 2.700 2.508 2.351 2.728 0.028 5 0 "[ . 1 . 2 ]" 1
215 1 18 LEU H 1 19 VAL H 0.000 . 2.700 2.166 1.944 2.459 . 0 0 "[ . 1 . 2 ]" 1
216 1 18 LEU H 1 19 VAL HB 0.000 . 5.000 4.520 4.032 5.030 0.030 7 0 "[ . 1 . 2 ]" 1
217 1 18 LEU H 1 19 VAL QG 0.000 . 5.000 3.335 2.935 3.939 . 0 0 "[ . 1 . 2 ]" 1
218 1 18 LEU H 1 24 LEU QD 0.000 . 5.000 3.620 3.251 3.964 . 0 0 "[ . 1 . 2 ]" 1
219 1 18 LEU HA 1 18 LEU QD 0.000 . 3.500 2.509 1.862 2.955 . 0 0 "[ . 1 . 2 ]" 1
220 1 18 LEU HA 1 19 VAL H 0.000 . 5.000 3.535 3.466 3.585 . 0 0 "[ . 1 . 2 ]" 1
221 1 18 LEU HB2 1 19 VAL HA 0.000 . 5.000 4.302 4.019 4.702 . 0 0 "[ . 1 . 2 ]" 1
222 1 18 LEU HB2 1 19 VAL QG 0.000 . 5.000 3.124 2.770 3.639 . 0 0 "[ . 1 . 2 ]" 1
223 1 18 LEU HB2 1 24 LEU QD 0.000 . 3.500 1.989 1.695 2.290 . 0 0 "[ . 1 . 2 ]" 1
224 1 18 LEU HB3 1 19 VAL HA 0.000 . 5.000 4.734 4.498 4.965 . 0 0 "[ . 1 . 2 ]" 1
225 1 18 LEU HB3 1 24 LEU QD 0.000 . 5.000 2.603 1.936 3.026 . 0 0 "[ . 1 . 2 ]" 1
226 1 18 LEU QD 1 19 VAL QG 0.000 . 5.000 3.823 3.545 4.256 . 0 0 "[ . 1 . 2 ]" 1
227 1 19 VAL H 1 19 VAL QG 0.000 . 2.700 1.978 1.792 2.552 . 0 0 "[ . 1 . 2 ]" 1
228 1 19 VAL H 1 20 ARG H 0.000 . 5.000 4.503 4.162 4.687 . 0 0 "[ . 1 . 2 ]" 1
229 1 19 VAL HA 1 19 VAL QG 0.000 . 2.700 2.203 2.040 2.464 . 0 0 "[ . 1 . 2 ]" 1
230 1 19 VAL HA 1 20 ARG H 0.000 . 2.700 2.235 2.206 2.327 . 0 0 "[ . 1 . 2 ]" 1
231 1 19 VAL HA 1 23 LYS H 0.000 . 5.000 3.839 3.140 4.604 . 0 0 "[ . 1 . 2 ]" 1
232 1 19 VAL HA 1 24 LEU HB2 0.000 . 5.000 4.068 3.382 4.610 . 0 0 "[ . 1 . 2 ]" 1
233 1 19 VAL HA 1 24 LEU QD 0.000 . 3.500 2.980 2.729 3.345 . 0 0 "[ . 1 . 2 ]" 1
234 1 19 VAL HA 1 25 ALA H 0.000 . 5.000 3.503 3.037 4.007 . 0 0 "[ . 1 . 2 ]" 1
235 1 19 VAL HB 1 20 ARG H 0.000 . 5.000 4.265 3.989 4.481 . 0 0 "[ . 1 . 2 ]" 1
236 1 19 VAL QG 1 20 ARG H 0.000 . 3.500 2.739 2.175 3.228 . 0 0 "[ . 1 . 2 ]" 1
237 1 19 VAL QG 1 20 ARG HA 0.000 . 5.000 3.871 3.342 4.320 . 0 0 "[ . 1 . 2 ]" 1
238 1 19 VAL QG 1 21 ASN H 0.000 . 5.000 3.994 2.540 4.519 . 0 0 "[ . 1 . 2 ]" 1
239 1 19 VAL QG 1 21 ASN HA 0.000 . 5.000 4.241 3.787 4.674 . 0 0 "[ . 1 . 2 ]" 1
240 1 19 VAL QG 1 22 GLY H 0.000 . 3.500 2.462 1.805 2.733 . 0 0 "[ . 1 . 2 ]" 1
241 1 19 VAL QG 1 22 GLY HA2 0.000 . 5.000 4.291 3.748 4.805 . 0 0 "[ . 1 . 2 ]" 1
242 1 19 VAL QG 1 22 GLY HA3 0.000 . 5.000 3.174 2.555 3.837 . 0 0 "[ . 1 . 2 ]" 1
243 1 19 VAL QG 1 23 LYS H 0.000 . 3.500 2.678 1.959 3.359 . 0 0 "[ . 1 . 2 ]" 1
244 1 19 VAL QG 1 23 LYS HA 0.000 . 5.000 4.025 3.421 4.419 . 0 0 "[ . 1 . 2 ]" 1
245 1 19 VAL QG 1 24 LEU H 0.000 . 5.000 3.455 2.510 4.308 . 0 0 "[ . 1 . 2 ]" 1
246 1 19 VAL QG 1 24 LEU HA 0.000 . 3.500 2.662 2.178 3.005 . 0 0 "[ . 1 . 2 ]" 1
247 1 19 VAL QG 1 24 LEU HB2 0.000 . 3.500 2.759 1.686 3.376 . 0 0 "[ . 1 . 2 ]" 1
248 1 19 VAL QG 1 24 LEU HB3 0.000 . 5.000 3.756 2.900 4.181 . 0 0 "[ . 1 . 2 ]" 1
249 1 19 VAL QG 1 24 LEU QD 0.000 . 3.500 1.977 1.725 2.494 . 0 0 "[ . 1 . 2 ]" 1
250 1 19 VAL QG 1 24 LEU HG 0.000 . 5.000 2.776 1.703 4.242 . 0 0 "[ . 1 . 2 ]" 1
251 1 19 VAL QG 1 25 ALA H 0.000 . 5.000 3.868 3.405 4.356 . 0 0 "[ . 1 . 2 ]" 1
252 1 19 VAL QG 1 49 GLU HA 0.000 . 5.000 3.759 3.093 4.155 . 0 0 "[ . 1 . 2 ]" 1
253 1 19 VAL QG 1 52 PHE H 0.000 . 5.000 4.591 4.284 4.814 . 0 0 "[ . 1 . 2 ]" 1
254 1 19 VAL QG 1 52 PHE HB2 0.000 . 5.000 3.224 2.758 3.478 . 0 0 "[ . 1 . 2 ]" 1
255 1 19 VAL QG 1 52 PHE HB3 0.000 . 5.000 2.420 1.819 2.804 . 0 0 "[ . 1 . 2 ]" 1
256 1 19 VAL QG 1 52 PHE QD 0.000 . 3.500 2.476 2.349 2.620 . 0 0 "[ . 1 . 2 ]" 1
257 1 19 VAL QG 1 52 PHE QE 0.000 . 3.500 2.518 2.257 2.653 . 0 0 "[ . 1 . 2 ]" 1
258 1 19 VAL QG 1 52 PHE HZ 0.000 . 3.500 2.920 2.759 3.166 . 0 0 "[ . 1 . 2 ]" 1
259 1 20 ARG H 1 20 ARG HG2 0.000 . 5.000 3.014 1.873 4.196 . 0 0 "[ . 1 . 2 ]" 1
260 1 20 ARG H 1 20 ARG HG3 0.000 . 3.500 3.264 2.600 3.781 0.281 8 0 "[ . 1 . 2 ]" 1
261 1 20 ARG H 1 21 ASN H 0.000 . 3.500 3.020 2.122 3.322 . 0 0 "[ . 1 . 2 ]" 1
262 1 20 ARG H 1 22 GLY H 0.000 . 5.000 3.680 2.883 4.614 . 0 0 "[ . 1 . 2 ]" 1
263 1 20 ARG H 1 23 LYS H 0.000 . 3.500 2.957 2.266 3.438 . 0 0 "[ . 1 . 2 ]" 1
264 1 20 ARG H 1 24 LEU HA 0.000 . 5.000 3.955 3.601 4.526 . 0 0 "[ . 1 . 2 ]" 1
265 1 20 ARG H 1 24 LEU QD 0.000 . 5.000 4.738 4.496 4.909 . 0 0 "[ . 1 . 2 ]" 1
266 1 20 ARG HA 1 20 ARG HD2 0.000 . 5.000 3.591 2.360 4.471 . 0 0 "[ . 1 . 2 ]" 1
267 1 20 ARG HA 1 20 ARG HD3 0.000 . 3.500 3.197 1.873 4.437 0.937 1 4 "[+ *- 1 . 2*]" 1
268 1 20 ARG HA 1 20 ARG HG2 0.000 . 3.500 2.782 2.112 3.466 . 0 0 "[ . 1 . 2 ]" 1
269 1 20 ARG HA 1 21 ASN H 0.000 . 3.500 3.518 3.470 3.568 0.068 12 0 "[ . 1 . 2 ]" 1
270 1 20 ARG HA 1 22 GLY H 0.000 . 5.000 4.766 4.265 5.010 0.010 2 0 "[ . 1 . 2 ]" 1
271 1 20 ARG QB 1 21 ASN H 0.000 . 3.500 1.895 1.807 2.680 . 0 0 "[ . 1 . 2 ]" 1
272 1 20 ARG QB 1 21 ASN HD21 0.000 . 5.000 2.523 2.272 3.033 . 0 0 "[ . 1 . 2 ]" 1
273 1 20 ARG QB 1 23 LYS QG 0.000 . 5.000 3.090 1.867 4.295 . 0 0 "[ . 1 . 2 ]" 1
274 1 20 ARG HD2 1 23 LYS QG 0.000 . 5.000 4.920 4.151 5.463 0.463 12 0 "[ . 1 . 2 ]" 1
275 1 20 ARG HG2 1 21 ASN HD21 0.000 . 5.000 5.062 4.449 5.897 0.897 8 1 "[ . + 1 . 2 ]" 1
276 1 20 ARG HG3 1 21 ASN H 0.000 . 5.000 4.293 4.087 4.722 . 0 0 "[ . 1 . 2 ]" 1
277 1 21 ASN H 1 22 GLY H 0.000 . 3.500 2.982 2.088 3.470 . 0 0 "[ . 1 . 2 ]" 1
278 1 21 ASN H 1 23 LYS H 0.000 . 5.000 2.920 2.313 3.480 . 0 0 "[ . 1 . 2 ]" 1
279 1 21 ASN HA 1 21 ASN HB3 0.000 . 2.700 2.515 2.428 2.570 . 0 0 "[ . 1 . 2 ]" 1
280 1 21 ASN HA 1 22 GLY H 0.000 . 3.500 2.780 2.538 2.996 . 0 0 "[ . 1 . 2 ]" 1
281 1 21 ASN HA 1 23 LYS H 0.000 . 5.000 4.379 4.171 4.800 . 0 0 "[ . 1 . 2 ]" 1
282 1 21 ASN HB2 1 21 ASN HD21 0.000 . 3.500 2.644 2.245 3.562 0.062 9 0 "[ . 1 . 2 ]" 1
283 1 21 ASN HB2 1 21 ASN HD22 0.000 . 3.500 3.682 3.510 4.092 0.592 9 6 "[* *. - +1 . * *2 ]" 1
284 1 21 ASN HB2 1 23 LYS H 0.000 . 5.000 4.844 4.289 5.317 0.317 7 0 "[ . 1 . 2 ]" 1
285 1 21 ASN HB3 1 22 GLY H 0.000 . 5.000 4.496 4.377 4.648 . 0 0 "[ . 1 . 2 ]" 1
286 1 22 GLY H 1 22 GLY HA2 0.000 . 2.700 2.978 2.912 2.993 0.293 5 0 "[ . 1 . 2 ]" 1
287 1 22 GLY H 1 23 LYS H 0.000 . 3.500 2.126 1.861 2.468 . 0 0 "[ . 1 . 2 ]" 1
288 1 22 GLY HA2 1 23 LYS H 0.000 . 3.500 3.367 3.161 3.514 0.014 10 0 "[ . 1 . 2 ]" 1
289 1 22 GLY HA3 1 23 LYS H 0.000 . 3.500 3.194 2.970 3.401 . 0 0 "[ . 1 . 2 ]" 1
290 1 22 GLY HA3 1 23 LYS HA 0.000 . 5.000 4.542 4.459 4.642 . 0 0 "[ . 1 . 2 ]" 1
291 1 23 LYS H 1 23 LYS HB2 0.000 . 3.500 3.349 2.699 3.834 0.334 3 0 "[ . 1 . 2 ]" 1
292 1 23 LYS H 1 24 LEU H 0.000 . 5.000 4.068 3.350 4.569 . 0 0 "[ . 1 . 2 ]" 1
293 1 23 LYS HA 1 24 LEU H 0.000 . 2.700 2.337 2.210 2.584 . 0 0 "[ . 1 . 2 ]" 1
294 1 23 LYS HB2 1 24 LEU H 0.000 . 5.000 4.062 3.309 4.636 . 0 0 "[ . 1 . 2 ]" 1
295 1 23 LYS HB3 1 24 LEU H 0.000 . 5.000 4.264 2.711 4.682 . 0 0 "[ . 1 . 2 ]" 1
296 1 24 LEU H 1 24 LEU QD 0.000 . 5.000 3.720 3.638 3.850 . 0 0 "[ . 1 . 2 ]" 1
297 1 24 LEU HA 1 24 LEU QD 0.000 . 3.500 1.882 1.790 2.080 . 0 0 "[ . 1 . 2 ]" 1
298 1 24 LEU HA 1 25 ALA H 0.000 . 2.700 2.236 2.210 2.297 . 0 0 "[ . 1 . 2 ]" 1
299 1 24 LEU HB3 1 25 ALA H 0.000 . 5.000 3.998 3.620 4.359 . 0 0 "[ . 1 . 2 ]" 1
300 1 24 LEU QD 1 25 ALA H 0.000 . 3.500 1.938 1.745 2.454 . 0 0 "[ . 1 . 2 ]" 1
301 1 24 LEU QD 1 26 CYS H 0.000 . 5.000 4.217 3.670 4.620 . 0 0 "[ . 1 . 2 ]" 1
302 1 24 LEU QD 1 45 CYS HB3 0.000 . 5.000 2.999 1.775 4.341 . 0 0 "[ . 1 . 2 ]" 1
303 1 24 LEU QD 1 48 CYS HA 0.000 . 5.000 3.931 3.695 4.471 . 0 0 "[ . 1 . 2 ]" 1
304 1 24 LEU QD 1 48 CYS QB 0.000 . 3.500 2.074 1.809 2.421 . 0 0 "[ . 1 . 2 ]" 1
305 1 24 LEU QD 1 49 GLU H 0.000 . 3.500 2.503 2.206 2.864 . 0 0 "[ . 1 . 2 ]" 1
306 1 24 LEU QD 1 49 GLU HA 0.000 . 3.500 2.076 1.795 2.934 . 0 0 "[ . 1 . 2 ]" 1
307 1 24 LEU QD 1 49 GLU QB 0.000 . 3.500 2.764 1.772 3.319 . 0 0 "[ . 1 . 2 ]" 1
308 1 24 LEU QD 1 49 GLU QG 0.000 . 5.000 2.468 1.558 3.944 . 0 0 "[ . 1 . 2 ]" 1
309 1 24 LEU QD 1 52 PHE QD 0.000 . 3.500 1.878 1.693 2.582 . 0 0 "[ . 1 . 2 ]" 1
310 1 24 LEU QD 1 52 PHE QE 0.000 . 3.500 2.323 1.984 2.706 . 0 0 "[ . 1 . 2 ]" 1
311 1 24 LEU QD 1 52 PHE HZ 0.000 . 5.000 4.108 3.815 4.458 . 0 0 "[ . 1 . 2 ]" 1
312 1 24 LEU HG 1 25 ALA H 0.000 . 5.000 3.717 2.639 4.219 . 0 0 "[ . 1 . 2 ]" 1
313 1 25 ALA HA 1 26 CYS H 0.000 . 2.700 2.231 2.209 2.285 . 0 0 "[ . 1 . 2 ]" 1
314 1 25 ALA MB 1 26 CYS H 0.000 . 3.500 3.310 2.937 3.548 0.048 19 0 "[ . 1 . 2 ]" 1
315 1 25 ALA MB 1 26 CYS HA 0.000 . 5.000 4.116 3.929 4.373 . 0 0 "[ . 1 . 2 ]" 1
316 1 26 CYS H 1 27 THR MG 0.000 . 5.000 4.955 4.788 5.080 0.080 15 0 "[ . 1 . 2 ]" 1
317 1 26 CYS HA 1 27 THR H 0.000 . 2.700 2.598 2.236 2.748 0.048 5 0 "[ . 1 . 2 ]" 1
318 1 26 CYS HA 1 27 THR HA 0.000 . 5.000 4.474 4.414 4.601 . 0 0 "[ . 1 . 2 ]" 1
319 1 26 CYS HA 1 27 THR MG 0.000 . 5.000 3.645 3.107 4.100 . 0 0 "[ . 1 . 2 ]" 1
320 1 26 CYS HB2 1 27 THR H 0.000 . 5.000 3.424 2.179 4.330 . 0 0 "[ . 1 . 2 ]" 1
321 1 26 CYS HB3 1 27 THR H 0.000 . 3.500 2.951 2.195 3.825 0.325 15 0 "[ . 1 . 2 ]" 1
322 1 27 THR H 1 28 ARG H 0.000 . 5.000 4.484 4.398 4.610 . 0 0 "[ . 1 . 2 ]" 1
323 1 27 THR HA 1 28 ARG H 0.000 . 2.700 2.636 2.454 2.757 0.057 15 0 "[ . 1 . 2 ]" 1
324 1 27 THR HB 1 28 ARG H 0.000 . 3.500 2.384 1.979 3.505 0.005 1 0 "[ . 1 . 2 ]" 1
325 1 27 THR MG 1 28 ARG H 0.000 . 3.500 3.448 3.156 3.534 0.034 10 0 "[ . 1 . 2 ]" 1
326 1 28 ARG H 1 29 GLU H 0.000 . 3.500 3.021 2.383 3.501 0.001 13 0 "[ . 1 . 2 ]" 1
327 1 28 ARG HA 1 43 ASN HD22 0.000 . 5.000 4.544 3.530 5.016 0.016 15 0 "[ . 1 . 2 ]" 1
328 1 29 GLU H 1 30 ASN H 0.000 . 5.000 4.598 4.192 4.702 . 0 0 "[ . 1 . 2 ]" 1
329 1 29 GLU H 1 43 ASN HD21 0.000 . 5.000 3.308 2.586 4.287 . 0 0 "[ . 1 . 2 ]" 1
330 1 29 GLU H 1 43 ASN HD22 0.000 . 5.000 4.547 3.537 5.018 0.018 10 0 "[ . 1 . 2 ]" 1
331 1 29 GLU HA 1 30 ASN H 0.000 . 2.700 2.331 2.210 2.707 0.007 2 0 "[ . 1 . 2 ]" 1
332 1 29 GLU HA 1 30 ASN HA 0.000 . 5.000 4.483 4.442 4.617 . 0 0 "[ . 1 . 2 ]" 1
333 1 29 GLU HA 1 30 ASN HD21 0.000 . 5.000 4.438 3.776 5.015 0.015 6 0 "[ . 1 . 2 ]" 1
334 1 29 GLU HA 1 30 ASN HD22 0.000 . 5.000 4.714 4.180 5.012 0.012 15 0 "[ . 1 . 2 ]" 1
335 1 29 GLU HB2 1 30 ASN H 0.000 . 5.000 3.961 2.603 4.417 . 0 0 "[ . 1 . 2 ]" 1
336 1 29 GLU HB3 1 30 ASN H 0.000 . 5.000 3.765 2.027 4.177 . 0 0 "[ . 1 . 2 ]" 1
337 1 29 GLU QG 1 30 ASN H 0.000 . 5.000 2.804 1.823 4.603 . 0 0 "[ . 1 . 2 ]" 1
338 1 29 GLU QG 1 43 ASN HA 0.000 . 5.000 4.743 3.887 5.004 0.004 1 0 "[ . 1 . 2 ]" 1
339 1 30 ASN H 1 31 ASP H 0.000 . 3.500 3.322 2.835 3.503 0.003 1 0 "[ . 1 . 2 ]" 1
340 1 30 ASN HA 1 31 ASP H 0.000 . 2.700 2.664 2.391 2.717 0.017 21 0 "[ . 1 . 2 ]" 1
341 1 30 ASN HA 1 32 PRO QD 0.000 . 5.000 3.472 2.869 5.007 0.007 15 0 "[ . 1 . 2 ]" 1
342 1 30 ASN HB2 1 30 ASN HD21 0.000 . 3.500 2.818 2.244 3.595 0.095 6 0 "[ . 1 . 2 ]" 1
343 1 30 ASN HB2 1 30 ASN HD22 0.000 . 3.500 3.759 3.509 4.106 0.606 6 6 "[ **.+ 1 . **- ]" 1
344 1 30 ASN HB3 1 31 ASP H 0.000 . 5.000 4.515 4.211 4.687 . 0 0 "[ . 1 . 2 ]" 1
345 1 31 ASP H 1 32 PRO QD 0.000 . 3.500 2.845 2.496 3.155 . 0 0 "[ . 1 . 2 ]" 1
346 1 31 ASP HA 1 32 PRO HA 0.000 . 5.000 4.663 4.589 4.725 . 0 0 "[ . 1 . 2 ]" 1
347 1 31 ASP HA 1 32 PRO QD 0.000 . 2.700 2.025 1.894 2.160 . 0 0 "[ . 1 . 2 ]" 1
348 1 31 ASP HA 1 32 PRO QG 0.000 . 5.000 3.982 3.841 4.116 . 0 0 "[ . 1 . 2 ]" 1
349 1 31 ASP HB2 1 32 PRO QD 0.000 . 5.000 4.183 4.039 4.296 . 0 0 "[ . 1 . 2 ]" 1
350 1 31 ASP HB3 1 32 PRO QD 0.000 . 5.000 4.163 3.925 4.265 . 0 0 "[ . 1 . 2 ]" 1
351 1 32 PRO HA 1 33 ILE H 0.000 . 2.700 2.275 2.221 2.363 . 0 0 "[ . 1 . 2 ]" 1
352 1 32 PRO HA 1 33 ILE MD 0.000 . 5.000 2.929 2.817 3.105 . 0 0 "[ . 1 . 2 ]" 1
353 1 32 PRO HA 1 42 GLY QA 0.000 . 5.000 4.063 3.167 5.010 0.010 4 0 "[ . 1 . 2 ]" 1
354 1 32 PRO HA 1 43 ASN HA 0.000 . 3.500 2.811 2.005 3.447 . 0 0 "[ . 1 . 2 ]" 1
355 1 32 PRO HB3 1 33 ILE H 0.000 . 5.000 3.560 3.342 3.777 . 0 0 "[ . 1 . 2 ]" 1
356 1 32 PRO QD 1 33 ILE H 0.000 . 5.000 5.068 5.044 5.077 0.077 4 0 "[ . 1 . 2 ]" 1
357 1 33 ILE H 1 34 GLN H 0.000 . 5.000 4.349 4.314 4.374 . 0 0 "[ . 1 . 2 ]" 1
358 1 33 ILE H 1 41 HIS H 0.000 . 5.000 3.272 2.593 4.084 . 0 0 "[ . 1 . 2 ]" 1
359 1 33 ILE HA 1 34 GLN H 0.000 . 2.700 2.740 2.707 2.771 0.071 18 0 "[ . 1 . 2 ]" 1
360 1 33 ILE HB 1 34 GLN H 0.000 . 3.500 2.274 2.196 2.315 . 0 0 "[ . 1 . 2 ]" 1
361 1 33 ILE MD 1 34 GLN H 0.000 . 3.500 3.524 3.477 3.548 0.048 21 0 "[ . 1 . 2 ]" 1
362 1 33 ILE MD 1 35 GLY H 0.000 . 5.000 4.871 4.272 5.022 0.022 10 0 "[ . 1 . 2 ]" 1
363 1 33 ILE MD 1 41 HIS HA 0.000 . 5.000 4.425 3.939 4.964 . 0 0 "[ . 1 . 2 ]" 1
364 1 33 ILE MD 1 41 HIS HB2 0.000 . 5.000 2.270 1.812 2.890 . 0 0 "[ . 1 . 2 ]" 1
365 1 33 ILE MD 1 41 HIS HB3 0.000 . 5.000 3.679 3.253 4.366 . 0 0 "[ . 1 . 2 ]" 1
366 1 33 ILE MD 1 43 ASN HA 0.000 . 3.500 3.026 2.655 3.515 0.015 1 0 "[ . 1 . 2 ]" 1
367 1 33 ILE MD 1 44 THR HA 0.000 . 3.500 2.747 2.522 2.973 . 0 0 "[ . 1 . 2 ]" 1
368 1 33 ILE MD 1 44 THR HB 0.000 . 5.000 4.986 4.826 5.023 0.023 13 0 "[ . 1 . 2 ]" 1
369 1 33 ILE MD 1 47 MET H 0.000 . 5.000 3.257 2.813 3.745 . 0 0 "[ . 1 . 2 ]" 1
370 1 33 ILE HG12 1 34 GLN H 0.000 . 3.500 2.313 2.200 2.438 . 0 0 "[ . 1 . 2 ]" 1
371 1 33 ILE HG12 1 34 GLN HA 0.000 . 5.000 3.618 3.462 3.778 . 0 0 "[ . 1 . 2 ]" 1
372 1 33 ILE HG13 1 34 GLN H 0.000 . 5.000 3.668 3.537 3.825 . 0 0 "[ . 1 . 2 ]" 1
373 1 34 GLN HA 1 35 GLY H 0.000 . 2.700 2.369 2.224 2.481 . 0 0 "[ . 1 . 2 ]" 1
374 1 34 GLN HA 1 40 VAL HA 0.000 . 2.700 2.120 1.852 2.410 . 0 0 "[ . 1 . 2 ]" 1
375 1 34 GLN HA 1 40 VAL QG 0.000 . 3.500 2.790 1.975 3.040 . 0 0 "[ . 1 . 2 ]" 1
376 1 34 GLN HA 1 41 HIS H 0.000 . 3.500 3.425 2.853 3.509 0.009 13 0 "[ . 1 . 2 ]" 1
377 1 34 GLN HA 1 41 HIS HD2 0.000 . 3.500 3.191 2.541 3.511 0.011 10 0 "[ . 1 . 2 ]" 1
378 1 34 GLN HB3 1 35 GLY H 0.000 . 5.000 2.975 2.568 4.163 . 0 0 "[ . 1 . 2 ]" 1
379 1 34 GLN HE21 1 40 VAL QG 0.000 . 5.000 3.178 2.696 4.807 . 0 0 "[ . 1 . 2 ]" 1
380 1 34 GLN HE22 1 40 VAL QG 0.000 . 5.000 4.280 3.773 4.784 . 0 0 "[ . 1 . 2 ]" 1
381 1 34 GLN HG3 1 35 GLY H 0.000 . 5.000 4.775 3.168 5.189 0.189 20 0 "[ . 1 . 2 ]" 1
382 1 35 GLY H 1 35 GLY HA2 0.000 . 2.700 2.459 2.347 2.539 . 0 0 "[ . 1 . 2 ]" 1
383 1 35 GLY H 1 36 PRO HD2 0.000 . 5.000 4.709 4.506 4.893 . 0 0 "[ . 1 . 2 ]" 1
384 1 35 GLY H 1 38 GLY H 0.000 . 5.000 3.726 3.314 4.427 . 0 0 "[ . 1 . 2 ]" 1
385 1 35 GLY H 1 39 LYS H 0.000 . 5.000 3.817 2.888 4.486 . 0 0 "[ . 1 . 2 ]" 1
386 1 35 GLY H 1 40 VAL HA 0.000 . 5.000 3.249 1.865 3.753 . 0 0 "[ . 1 . 2 ]" 1
387 1 35 GLY H 1 41 HIS HD2 0.000 . 3.500 3.039 1.957 3.429 . 0 0 "[ . 1 . 2 ]" 1
388 1 35 GLY HA2 1 36 PRO HD2 0.000 . 5.000 2.405 2.174 2.745 . 0 0 "[ . 1 . 2 ]" 1
389 1 35 GLY HA2 1 36 PRO HD3 0.000 . 3.500 3.015 2.748 3.306 . 0 0 "[ . 1 . 2 ]" 1
390 1 35 GLY HA2 1 37 ASP H 0.000 . 5.000 3.139 3.078 3.420 . 0 0 "[ . 1 . 2 ]" 1
391 1 35 GLY HA2 1 41 HIS HD2 0.000 . 3.500 3.278 2.796 3.518 0.018 17 0 "[ . 1 . 2 ]" 1
392 1 35 GLY HA3 1 36 PRO HD2 0.000 . 5.000 2.717 2.406 2.984 . 0 0 "[ . 1 . 2 ]" 1
393 1 35 GLY HA3 1 36 PRO HD3 0.000 . 3.500 2.141 1.954 2.343 . 0 0 "[ . 1 . 2 ]" 1
394 1 35 GLY HA3 1 37 ASP H 0.000 . 5.000 4.127 3.969 4.295 . 0 0 "[ . 1 . 2 ]" 1
395 1 35 GLY HA3 1 41 HIS HD2 0.000 . 5.000 3.746 3.099 4.284 . 0 0 "[ . 1 . 2 ]" 1
396 1 36 PRO HA 1 37 ASP H 0.000 . 3.500 3.490 3.473 3.535 0.035 12 0 "[ . 1 . 2 ]" 1
397 1 36 PRO HB2 1 37 ASP H 0.000 . 5.000 3.280 3.020 3.341 . 0 0 "[ . 1 . 2 ]" 1
398 1 36 PRO HD2 1 37 ASP H 0.000 . 3.500 2.784 2.681 2.819 . 0 0 "[ . 1 . 2 ]" 1
399 1 36 PRO HD3 1 37 ASP H 0.000 . 5.000 3.963 3.943 3.979 . 0 0 "[ . 1 . 2 ]" 1
400 1 36 PRO QG 1 37 ASP H 0.000 . 3.500 3.473 3.246 3.520 0.020 1 0 "[ . 1 . 2 ]" 1
401 1 37 ASP H 1 38 GLY H 0.000 . 2.700 2.566 2.370 2.730 0.030 1 0 "[ . 1 . 2 ]" 1
402 1 37 ASP H 1 39 LYS H 0.000 . 5.000 3.816 3.233 4.313 . 0 0 "[ . 1 . 2 ]" 1
403 1 37 ASP HA 1 38 GLY H 0.000 . 3.500 3.395 3.102 3.559 0.059 17 0 "[ . 1 . 2 ]" 1
404 1 37 ASP HA 1 38 GLY HA2 0.000 . 5.000 4.520 4.463 4.569 . 0 0 "[ . 1 . 2 ]" 1
405 1 37 ASP HA 1 38 GLY HA3 0.000 . 5.000 5.061 4.992 5.101 0.101 13 0 "[ . 1 . 2 ]" 1
406 1 37 ASP HA 1 39 LYS H 0.000 . 5.000 4.478 4.196 4.778 . 0 0 "[ . 1 . 2 ]" 1
407 1 37 ASP HB2 1 41 HIS HE1 0.000 . 5.000 4.861 4.047 5.682 0.682 10 1 "[ . + . 2 ]" 1
408 1 38 GLY H 1 39 LYS H 0.000 . 3.500 2.454 1.928 2.723 . 0 0 "[ . 1 . 2 ]" 1
409 1 38 GLY HA2 1 39 LYS H 0.000 . 3.500 3.168 2.910 3.447 . 0 0 "[ . 1 . 2 ]" 1
410 1 38 GLY HA3 1 39 LYS H 0.000 . 3.500 3.379 3.091 3.523 0.023 12 0 "[ . 1 . 2 ]" 1
411 1 39 LYS H 1 40 VAL H 0.000 . 5.000 4.635 4.559 4.661 . 0 0 "[ . 1 . 2 ]" 1
412 1 39 LYS HA 1 40 VAL H 0.000 . 2.700 2.367 2.275 2.433 . 0 0 "[ . 1 . 2 ]" 1
413 1 39 LYS HA 1 40 VAL QG 0.000 . 5.000 3.311 3.047 3.577 . 0 0 "[ . 1 . 2 ]" 1
414 1 39 LYS QB 1 40 VAL H 0.000 . 3.500 3.195 2.579 3.512 0.012 10 0 "[ . 1 . 2 ]" 1
415 1 39 LYS QB 1 41 HIS HE1 0.000 . 5.000 3.408 2.757 4.248 . 0 0 "[ . 1 . 2 ]" 1
416 1 39 LYS QD 1 40 VAL H 0.000 . 5.000 4.382 3.912 4.959 . 0 0 "[ . 1 . 2 ]" 1
417 1 39 LYS QD 1 41 HIS HE1 0.000 . 3.500 3.406 2.891 3.518 0.018 17 0 "[ . 1 . 2 ]" 1
418 1 40 VAL H 1 41 HIS H 0.000 . 5.000 4.586 4.472 4.633 . 0 0 "[ . 1 . 2 ]" 1
419 1 40 VAL HA 1 41 HIS H 0.000 . 2.700 2.368 2.274 2.672 . 0 0 "[ . 1 . 2 ]" 1
420 1 40 VAL HA 1 41 HIS HD2 0.000 . 3.500 3.157 2.347 3.509 0.009 17 0 "[ . 1 . 2 ]" 1
421 1 40 VAL HB 1 41 HIS H 0.000 . 5.000 3.752 2.296 4.091 . 0 0 "[ . 1 . 2 ]" 1
422 1 40 VAL QG 1 41 HIS H 0.000 . 3.500 2.141 1.848 2.713 . 0 0 "[ . 1 . 2 ]" 1
423 1 40 VAL QG 1 41 HIS HA 0.000 . 5.000 3.631 3.237 3.757 . 0 0 "[ . 1 . 2 ]" 1
424 1 40 VAL QG 1 42 GLY H 0.000 . 5.000 4.859 4.725 4.930 . 0 0 "[ . 1 . 2 ]" 1
425 1 41 HIS H 1 42 GLY H 0.000 . 5.000 4.480 4.403 4.524 . 0 0 "[ . 1 . 2 ]" 1
426 1 41 HIS HA 1 42 GLY H 0.000 . 2.700 2.536 2.451 2.675 . 0 0 "[ . 1 . 2 ]" 1
427 1 41 HIS HB2 1 42 GLY H 0.000 . 3.500 3.399 3.160 3.512 0.012 17 0 "[ . 1 . 2 ]" 1
428 1 41 HIS HB3 1 42 GLY H 0.000 . 3.500 2.461 2.164 2.641 . 0 0 "[ . 1 . 2 ]" 1
429 1 41 HIS HB3 1 43 ASN H 0.000 . 5.000 3.679 3.237 4.605 . 0 0 "[ . 1 . 2 ]" 1
430 1 41 HIS HD2 1 47 MET QG 0.000 . 3.500 2.183 1.855 2.894 . 0 0 "[ . 1 . 2 ]" 1
431 1 41 HIS HE1 1 50 VAL QG 0.000 . 3.500 2.740 2.054 3.290 . 0 0 "[ . 1 . 2 ]" 1
432 1 42 GLY H 1 43 ASN H 0.000 . 3.500 2.927 2.725 3.341 . 0 0 "[ . 1 . 2 ]" 1
433 1 42 GLY QA 1 43 ASN H 0.000 . 2.700 2.556 2.281 2.695 . 0 0 "[ . 1 . 2 ]" 1
434 1 42 GLY QA 1 43 ASN HA 0.000 . 5.000 4.081 4.006 4.165 . 0 0 "[ . 1 . 2 ]" 1
435 1 43 ASN HA 1 44 THR H 0.000 . 2.700 2.746 2.722 2.792 0.092 9 0 "[ . 1 . 2 ]" 1
436 1 43 ASN HA 1 45 CYS H 0.000 . 5.000 4.737 4.350 5.027 0.027 19 0 "[ . 1 . 2 ]" 1
437 1 43 ASN HA 1 46 SER QB 0.000 . 5.000 4.549 4.294 4.989 . 0 0 "[ . 1 . 2 ]" 1
438 1 43 ASN HB2 1 43 ASN HD21 0.000 . 3.500 2.622 2.362 2.968 . 0 0 "[ . 1 . 2 ]" 1
439 1 43 ASN HB2 1 44 THR H 0.000 . 3.500 1.945 1.849 1.999 . 0 0 "[ . 1 . 2 ]" 1
440 1 43 ASN HB3 1 43 ASN HD21 0.000 . 3.500 2.700 2.394 3.015 . 0 0 "[ . 1 . 2 ]" 1
441 1 43 ASN HB3 1 44 THR H 0.000 . 3.500 3.482 3.391 3.531 0.031 5 0 "[ . 1 . 2 ]" 1
442 1 43 ASN HD21 1 44 THR H 0.000 . 5.000 4.269 3.729 4.665 . 0 0 "[ . 1 . 2 ]" 1
443 1 43 ASN HD22 1 44 THR H 0.000 . 5.000 4.964 4.677 5.063 0.063 9 0 "[ . 1 . 2 ]" 1
444 1 43 ASN HD22 1 46 SER H 0.000 . 5.000 3.409 2.788 4.077 . 0 0 "[ . 1 . 2 ]" 1
445 1 43 ASN HD22 1 46 SER QB 0.000 . 5.000 4.514 3.592 5.006 0.006 7 0 "[ . 1 . 2 ]" 1
446 1 44 THR H 1 47 MET H 0.000 . 5.000 4.979 4.759 5.053 0.053 1 0 "[ . 1 . 2 ]" 1
447 1 44 THR HA 1 45 CYS H 0.000 . 3.500 3.552 3.476 3.585 0.085 10 0 "[ . 1 . 2 ]" 1
448 1 44 THR HA 1 47 MET HB2 0.000 . 3.500 3.017 2.623 3.347 . 0 0 "[ . 1 . 2 ]" 1
449 1 44 THR HA 1 47 MET HB3 0.000 . 3.500 3.271 2.721 3.533 0.033 7 0 "[ . 1 . 2 ]" 1
450 1 44 THR HA 1 47 MET QG 0.000 . 5.000 4.424 4.114 4.743 . 0 0 "[ . 1 . 2 ]" 1
451 1 44 THR HA 1 48 CYS H 0.000 . 5.000 4.395 3.975 4.735 . 0 0 "[ . 1 . 2 ]" 1
452 1 44 THR HB 1 45 CYS H 0.000 . 3.500 2.575 2.251 3.037 . 0 0 "[ . 1 . 2 ]" 1
453 1 44 THR MG 1 45 CYS H 0.000 . 3.500 3.309 2.924 3.516 0.016 5 0 "[ . 1 . 2 ]" 1
454 1 44 THR MG 1 47 MET H 0.000 . 5.000 4.543 4.199 4.983 . 0 0 "[ . 1 . 2 ]" 1
455 1 45 CYS H 1 46 SER H 0.000 . 5.000 2.834 2.567 3.114 . 0 0 "[ . 1 . 2 ]" 1
456 1 45 CYS HA 1 45 CYS HB3 0.000 . 2.700 2.532 2.362 3.019 0.319 4 0 "[ . 1 . 2 ]" 1
457 1 45 CYS HA 1 46 SER H 0.000 . 5.000 3.588 3.564 3.608 . 0 0 "[ . 1 . 2 ]" 1
458 1 45 CYS HB2 1 46 SER H 0.000 . 5.000 2.996 2.091 3.934 . 0 0 "[ . 1 . 2 ]" 1
459 1 45 CYS HB3 1 46 SER H 0.000 . 5.000 3.467 2.279 3.790 . 0 0 "[ . 1 . 2 ]" 1
460 1 45 CYS HB3 1 48 CYS QB 0.000 . 5.000 4.069 3.631 4.579 . 0 0 "[ . 1 . 2 ]" 1
461 1 46 SER H 1 47 MET H 0.000 . 3.500 2.815 2.621 2.929 . 0 0 "[ . 1 . 2 ]" 1
462 1 46 SER H 1 47 MET HB2 0.000 . 5.000 4.710 4.380 4.970 . 0 0 "[ . 1 . 2 ]" 1
463 1 46 SER H 1 48 CYS H 0.000 . 5.000 3.926 3.641 4.110 . 0 0 "[ . 1 . 2 ]" 1
464 1 46 SER HA 1 47 MET H 0.000 . 5.000 3.551 3.484 3.592 . 0 0 "[ . 1 . 2 ]" 1
465 1 46 SER HA 1 48 CYS H 0.000 . 5.000 4.156 3.823 4.443 . 0 0 "[ . 1 . 2 ]" 1
466 1 46 SER HA 1 49 GLU H 0.000 . 3.500 3.299 3.061 3.503 0.003 4 0 "[ . 1 . 2 ]" 1
467 1 46 SER HA 1 49 GLU QB 0.000 . 2.700 2.687 2.496 2.764 0.064 20 0 "[ . 1 . 2 ]" 1
468 1 46 SER HA 1 49 GLU QG 0.000 . 2.700 2.575 1.827 2.696 . 0 0 "[ . 1 . 2 ]" 1
469 1 46 SER HA 1 50 VAL H 0.000 . 5.000 4.342 4.113 4.718 . 0 0 "[ . 1 . 2 ]" 1
470 1 46 SER QB 1 47 MET H 0.000 . 3.500 2.465 2.130 2.774 . 0 0 "[ . 1 . 2 ]" 1
471 1 46 SER QB 1 48 CYS H 0.000 . 5.000 4.408 4.059 4.666 . 0 0 "[ . 1 . 2 ]" 1
472 1 46 SER QB 1 49 GLU QB 0.000 . 5.000 4.435 4.091 4.646 . 0 0 "[ . 1 . 2 ]" 1
473 1 47 MET H 1 48 CYS H 0.000 . 2.700 2.454 2.178 2.696 . 0 0 "[ . 1 . 2 ]" 1
474 1 47 MET H 1 49 GLU H 0.000 . 5.000 3.917 3.577 4.253 . 0 0 "[ . 1 . 2 ]" 1
475 1 47 MET H 1 50 VAL QG 0.000 . 5.000 4.359 4.025 4.784 . 0 0 "[ . 1 . 2 ]" 1
476 1 47 MET HA 1 48 CYS H 0.000 . 3.500 3.491 3.434 3.526 0.026 16 0 "[ . 1 . 2 ]" 1
477 1 47 MET HA 1 49 GLU H 0.000 . 5.000 4.279 3.946 4.546 . 0 0 "[ . 1 . 2 ]" 1
478 1 47 MET HA 1 50 VAL H 0.000 . 5.000 3.888 3.652 4.053 . 0 0 "[ . 1 . 2 ]" 1
479 1 47 MET HA 1 50 VAL QG 0.000 . 3.500 2.589 2.119 3.184 . 0 0 "[ . 1 . 2 ]" 1
480 1 47 MET HA 1 51 PHE H 0.000 . 5.000 4.635 4.331 4.986 . 0 0 "[ . 1 . 2 ]" 1
481 1 47 MET HB2 1 48 CYS H 0.000 . 3.500 3.534 3.383 3.576 0.076 10 0 "[ . 1 . 2 ]" 1
482 1 47 MET HB3 1 48 CYS H 0.000 . 3.500 2.848 2.449 3.402 . 0 0 "[ . 1 . 2 ]" 1
483 1 47 MET QG 1 48 CYS H 0.000 . 5.000 4.393 3.867 4.670 . 0 0 "[ . 1 . 2 ]" 1
484 1 48 CYS H 1 48 CYS QB 0.000 . 2.700 2.120 1.993 2.226 . 0 0 "[ . 1 . 2 ]" 1
485 1 48 CYS H 1 49 GLU H 0.000 . 3.500 2.407 2.249 2.575 . 0 0 "[ . 1 . 2 ]" 1
486 1 48 CYS H 1 50 VAL H 0.000 . 5.000 4.292 4.095 4.574 . 0 0 "[ . 1 . 2 ]" 1
487 1 48 CYS HA 1 48 CYS QB 0.000 . 2.700 2.471 2.421 2.526 . 0 0 "[ . 1 . 2 ]" 1
488 1 48 CYS HA 1 49 GLU H 0.000 . 5.000 3.518 3.435 3.565 . 0 0 "[ . 1 . 2 ]" 1
489 1 48 CYS HA 1 51 PHE H 0.000 . 3.500 3.454 3.261 3.523 0.023 4 0 "[ . 1 . 2 ]" 1
490 1 48 CYS HA 1 51 PHE HB2 0.000 . 5.000 3.638 3.455 3.927 . 0 0 "[ . 1 . 2 ]" 1
491 1 48 CYS HA 1 51 PHE HB3 0.000 . 3.500 2.466 2.258 2.731 . 0 0 "[ . 1 . 2 ]" 1
492 1 48 CYS HA 1 51 PHE QD 0.000 . 3.500 3.239 2.827 3.525 0.025 17 0 "[ . 1 . 2 ]" 1
493 1 48 CYS HA 1 52 PHE H 0.000 . 5.000 3.888 3.657 4.264 . 0 0 "[ . 1 . 2 ]" 1
494 1 48 CYS QB 1 49 GLU H 0.000 . 5.000 2.797 2.520 3.082 . 0 0 "[ . 1 . 2 ]" 1
495 1 48 CYS QB 1 52 PHE QD 0.000 . 5.000 2.759 2.371 3.164 . 0 0 "[ . 1 . 2 ]" 1
496 1 49 GLU H 1 50 VAL H 0.000 . 2.700 2.702 2.503 2.755 0.055 11 0 "[ . 1 . 2 ]" 1
497 1 49 GLU H 1 50 VAL QG 0.000 . 5.000 3.540 3.194 3.978 . 0 0 "[ . 1 . 2 ]" 1
498 1 49 GLU H 1 51 PHE H 0.000 . 5.000 4.112 3.828 4.450 . 0 0 "[ . 1 . 2 ]" 1
499 1 49 GLU HA 1 50 VAL H 0.000 . 5.000 3.579 3.554 3.596 . 0 0 "[ . 1 . 2 ]" 1
500 1 49 GLU HA 1 51 PHE H 0.000 . 5.000 4.517 4.110 4.857 . 0 0 "[ . 1 . 2 ]" 1
501 1 49 GLU HA 1 52 PHE H 0.000 . 3.500 3.383 3.183 3.537 0.037 20 0 "[ . 1 . 2 ]" 1
502 1 49 GLU HA 1 52 PHE HB2 0.000 . 3.500 2.214 2.114 2.334 . 0 0 "[ . 1 . 2 ]" 1
503 1 49 GLU HA 1 52 PHE HB3 0.000 . 3.500 3.554 3.526 3.601 0.101 11 0 "[ . 1 . 2 ]" 1
504 1 49 GLU HA 1 52 PHE QD 0.000 . 3.500 2.517 2.115 2.757 . 0 0 "[ . 1 . 2 ]" 1
505 1 49 GLU HA 1 52 PHE QE 0.000 . 5.000 4.806 4.402 5.028 0.028 8 0 "[ . 1 . 2 ]" 1
506 1 49 GLU QB 1 50 VAL H 0.000 . 3.500 2.694 2.214 3.254 . 0 0 "[ . 1 . 2 ]" 1
507 1 49 GLU QB 1 50 VAL QG 0.000 . 5.000 3.326 2.652 4.195 . 0 0 "[ . 1 . 2 ]" 1
508 1 49 GLU QB 1 51 PHE H 0.000 . 5.000 4.777 4.361 5.059 0.059 17 0 "[ . 1 . 2 ]" 1
509 1 49 GLU QG 1 50 VAL H 0.000 . 5.000 3.128 1.777 4.073 . 0 0 "[ . 1 . 2 ]" 1
510 1 50 VAL H 1 51 PHE H 0.000 . 2.700 2.716 2.659 2.755 0.055 2 0 "[ . 1 . 2 ]" 1
511 1 50 VAL H 1 52 PHE H 0.000 . 5.000 4.052 3.873 4.266 . 0 0 "[ . 1 . 2 ]" 1
512 1 50 VAL HA 1 51 PHE H 0.000 . 5.000 3.556 3.535 3.572 . 0 0 "[ . 1 . 2 ]" 1
513 1 50 VAL HA 1 52 PHE H 0.000 . 5.000 4.474 4.215 4.757 . 0 0 "[ . 1 . 2 ]" 1
514 1 50 VAL HA 1 53 GLN H 0.000 . 3.500 3.409 3.302 3.518 0.018 12 0 "[ . 1 . 2 ]" 1
515 1 50 VAL HA 1 53 GLN HB3 0.000 . 3.500 2.946 2.737 3.161 . 0 0 "[ . 1 . 2 ]" 1
516 1 50 VAL HA 1 54 ALA H 0.000 . 5.000 4.174 3.879 4.428 . 0 0 "[ . 1 . 2 ]" 1
517 1 50 VAL HB 1 51 PHE H 0.000 . 5.000 3.270 2.108 4.069 . 0 0 "[ . 1 . 2 ]" 1
518 1 50 VAL QG 1 51 PHE H 0.000 . 3.500 2.182 1.748 3.083 . 0 0 "[ . 1 . 2 ]" 1
519 1 50 VAL QG 1 51 PHE HA 0.000 . 5.000 3.154 2.960 3.543 . 0 0 "[ . 1 . 2 ]" 1
520 1 50 VAL QG 1 51 PHE QD 0.000 . 5.000 4.470 4.204 4.891 . 0 0 "[ . 1 . 2 ]" 1
521 1 50 VAL QG 1 53 GLN H 0.000 . 5.000 4.272 4.177 4.361 . 0 0 "[ . 1 . 2 ]" 1
522 1 50 VAL QG 1 53 GLN HE21 0.000 . 5.000 3.653 3.140 4.241 . 0 0 "[ . 1 . 2 ]" 1
523 1 50 VAL QG 1 54 ALA H 0.000 . 5.000 4.289 3.887 4.732 . 0 0 "[ . 1 . 2 ]" 1
524 1 51 PHE H 1 52 PHE H 0.000 . 2.700 2.623 2.430 2.733 0.033 5 0 "[ . 1 . 2 ]" 1
525 1 51 PHE H 1 53 GLN H 0.000 . 5.000 3.994 3.847 4.132 . 0 0 "[ . 1 . 2 ]" 1
526 1 51 PHE H 1 54 ALA MB 0.000 . 5.000 4.851 4.478 5.017 0.017 12 0 "[ . 1 . 2 ]" 1
527 1 51 PHE HA 1 52 PHE H 0.000 . 3.500 3.544 3.525 3.555 0.055 21 0 "[ . 1 . 2 ]" 1
528 1 51 PHE HA 1 54 ALA H 0.000 . 5.000 3.526 3.418 3.699 . 0 0 "[ . 1 . 2 ]" 1
529 1 51 PHE HA 1 54 ALA MB 0.000 . 3.500 2.775 2.535 3.095 . 0 0 "[ . 1 . 2 ]" 1
530 1 51 PHE HB3 1 52 PHE H 0.000 . 3.500 2.520 2.292 2.722 . 0 0 "[ . 1 . 2 ]" 1
531 1 51 PHE QD 1 52 PHE H 0.000 . 3.500 3.537 3.509 3.603 0.103 12 0 "[ . 1 . 2 ]" 1
532 1 51 PHE QD 1 52 PHE HA 0.000 . 5.000 4.041 3.880 4.267 . 0 0 "[ . 1 . 2 ]" 1
533 1 51 PHE QD 1 52 PHE QD 0.000 . 5.000 4.079 3.968 4.321 . 0 0 "[ . 1 . 2 ]" 1
534 1 51 PHE QD 1 52 PHE QE 0.000 . 5.000 4.225 4.045 4.388 . 0 0 "[ . 1 . 2 ]" 1
535 1 51 PHE QD 1 52 PHE HZ 0.000 . 5.000 4.838 4.605 5.015 0.015 4 0 "[ . 1 . 2 ]" 1
536 1 51 PHE QD 1 54 ALA MB 0.000 . 3.500 3.474 2.975 3.517 0.017 2 0 "[ . 1 . 2 ]" 1
537 1 51 PHE QD 1 55 GLU H 0.000 . 5.000 4.667 4.122 4.930 . 0 0 "[ . 1 . 2 ]" 1
538 1 51 PHE QD 1 55 GLU HG3 0.000 . 5.000 4.063 3.674 4.875 . 0 0 "[ . 1 . 2 ]" 1
539 1 51 PHE QE 1 52 PHE HA 0.000 . 5.000 4.713 4.553 4.901 . 0 0 "[ . 1 . 2 ]" 1
540 1 51 PHE QE 1 52 PHE QE 0.000 . 5.000 4.044 3.707 4.503 . 0 0 "[ . 1 . 2 ]" 1
541 1 51 PHE QE 1 52 PHE HZ 0.000 . 5.000 4.818 4.432 5.007 0.007 2 0 "[ . 1 . 2 ]" 1
542 1 51 PHE QE 1 55 GLU QB 0.000 . 5.000 4.775 3.470 5.014 0.014 5 0 "[ . 1 . 2 ]" 1
543 1 51 PHE QE 1 55 GLU HG2 0.000 . 5.000 3.840 3.370 4.996 . 0 0 "[ . 1 . 2 ]" 1
544 1 51 PHE QE 1 55 GLU HG3 0.000 . 5.000 3.588 3.310 3.750 . 0 0 "[ . 1 . 2 ]" 1
545 1 52 PHE H 1 53 GLN H 0.000 . 2.700 2.625 2.540 2.743 0.043 12 0 "[ . 1 . 2 ]" 1
546 1 52 PHE H 1 53 GLN HB2 0.000 . 5.000 4.591 4.444 4.802 . 0 0 "[ . 1 . 2 ]" 1
547 1 52 PHE H 1 53 GLN HB3 0.000 . 5.000 5.017 4.967 5.034 0.034 2 0 "[ . 1 . 2 ]" 1
548 1 52 PHE H 1 54 ALA H 0.000 . 5.000 4.293 4.084 4.520 . 0 0 "[ . 1 . 2 ]" 1
549 1 52 PHE HA 1 52 PHE HB3 0.000 . 2.700 2.691 2.621 2.719 0.019 4 0 "[ . 1 . 2 ]" 1
550 1 52 PHE HA 1 55 GLU H 0.000 . 3.500 3.499 3.377 3.530 0.030 11 0 "[ . 1 . 2 ]" 1
551 1 52 PHE HA 1 55 GLU QB 0.000 . 5.000 2.657 2.041 3.073 . 0 0 "[ . 1 . 2 ]" 1
552 1 52 PHE HA 1 56 GLU H 0.000 . 5.000 4.929 4.387 5.016 0.016 19 0 "[ . 1 . 2 ]" 1
553 1 52 PHE HB2 1 53 GLN H 0.000 . 3.500 2.770 2.527 2.898 . 0 0 "[ . 1 . 2 ]" 1
554 1 52 PHE HB3 1 53 GLN H 0.000 . 3.500 3.314 3.222 3.451 . 0 0 "[ . 1 . 2 ]" 1
555 1 52 PHE QD 1 53 GLN H 0.000 . 5.000 4.543 4.401 4.613 . 0 0 "[ . 1 . 2 ]" 1
556 1 52 PHE QD 1 55 GLU H 0.000 . 5.000 4.970 4.874 5.038 0.038 5 0 "[ . 1 . 2 ]" 1
557 1 53 GLN HA 1 55 GLU H 0.000 . 5.000 4.354 4.118 4.531 . 0 0 "[ . 1 . 2 ]" 1
558 1 53 GLN HB2 1 54 ALA H 0.000 . 3.500 3.523 3.512 3.540 0.040 2 0 "[ . 1 . 2 ]" 1
559 1 53 GLN HB3 1 54 ALA H 0.000 . 3.500 2.348 2.166 2.518 . 0 0 "[ . 1 . 2 ]" 1
560 1 53 GLN HE21 1 53 GLN HG3 0.000 . 3.500 3.089 2.357 3.619 0.119 9 0 "[ . 1 . 2 ]" 1
561 1 54 ALA MB 1 55 GLU H 0.000 . 3.500 2.594 2.433 2.914 . 0 0 "[ . 1 . 2 ]" 1
562 1 54 ALA MB 1 55 GLU HA 0.000 . 5.000 3.844 3.702 3.917 . 0 0 "[ . 1 . 2 ]" 1
563 1 54 ALA MB 1 57 GLU HG2 0.000 . 5.000 4.607 4.124 5.004 0.004 19 0 "[ . 1 . 2 ]" 1
564 1 54 ALA MB 1 57 GLU HG3 0.000 . 5.000 4.392 3.701 5.009 0.009 12 0 "[ . 1 . 2 ]" 1
565 1 55 GLU HA 1 56 GLU H 0.000 . 3.500 3.513 3.448 3.556 0.056 12 0 "[ . 1 . 2 ]" 1
566 1 55 GLU HA 1 57 GLU H 0.000 . 5.000 4.047 3.746 4.312 . 0 0 "[ . 1 . 2 ]" 1
567 1 55 GLU HA 1 58 GLU H 0.000 . 3.500 3.433 3.033 3.522 0.022 5 0 "[ . 1 . 2 ]" 1
568 1 55 GLU HA 1 59 LYS H 0.000 . 5.000 4.939 4.108 5.015 0.015 21 0 "[ . 1 . 2 ]" 1
569 1 55 GLU QB 1 56 GLU H 0.000 . 3.500 2.754 2.435 3.006 . 0 0 "[ . 1 . 2 ]" 1
570 1 56 GLU H 1 57 GLU H 0.000 . 3.500 2.601 2.476 2.753 . 0 0 "[ . 1 . 2 ]" 1
571 1 56 GLU QG 1 57 GLU H 0.000 . 5.000 3.976 3.701 4.248 . 0 0 "[ . 1 . 2 ]" 1
572 1 57 GLU HA 1 60 LYS QB 0.000 . 5.000 2.766 2.422 3.444 . 0 0 "[ . 1 . 2 ]" 1
573 1 57 GLU HG3 1 58 GLU H 0.000 . 5.000 4.475 3.088 4.915 . 0 0 "[ . 1 . 2 ]" 1
574 1 58 GLU H 1 59 LYS H 0.000 . 3.500 2.746 2.616 2.848 . 0 0 "[ . 1 . 2 ]" 1
575 1 58 GLU HA 1 61 LYS QE 0.000 . 5.000 4.159 2.405 4.678 . 0 0 "[ . 1 . 2 ]" 1
576 1 58 GLU QB 1 59 LYS H 0.000 . 3.500 2.670 2.507 3.087 . 0 0 "[ . 1 . 2 ]" 1
577 1 58 GLU HG2 1 59 LYS H 0.000 . 5.000 4.266 3.750 5.008 0.008 10 0 "[ . 1 . 2 ]" 1
578 1 58 GLU HG3 1 59 LYS H 0.000 . 5.000 4.643 3.839 4.994 . 0 0 "[ . 1 . 2 ]" 1
579 1 59 LYS H 1 59 LYS HG2 0.000 . 5.000 3.194 1.896 3.490 . 0 0 "[ . 1 . 2 ]" 1
580 1 59 LYS H 1 59 LYS HG3 0.000 . 3.500 2.331 1.985 3.391 . 0 0 "[ . 1 . 2 ]" 1
581 1 59 LYS H 1 60 LYS HA 0.000 . 5.000 4.983 4.935 5.029 0.029 18 0 "[ . 1 . 2 ]" 1
582 1 59 LYS HA 1 60 LYS H 0.000 . 3.500 3.365 3.286 3.423 . 0 0 "[ . 1 . 2 ]" 1
583 1 60 LYS H 1 60 LYS HG2 0.000 . 5.000 2.300 1.969 4.140 . 0 0 "[ . 1 . 2 ]" 1
584 1 60 LYS H 1 60 LYS HG3 0.000 . 3.500 3.544 3.388 3.668 0.168 5 0 "[ . 1 . 2 ]" 1
585 1 60 LYS H 1 61 LYS H 0.000 . 5.000 2.781 2.513 2.915 . 0 0 "[ . 1 . 2 ]" 1
586 1 60 LYS HG3 1 61 LYS HA 0.000 . 5.000 3.172 3.018 3.348 . 0 0 "[ . 1 . 2 ]" 1
587 1 62 LYS HA 1 63 GLU H 0.000 . 3.500 2.729 2.221 3.503 0.003 21 0 "[ . 1 . 2 ]" 1
588 1 62 LYS HB3 1 63 GLU H 0.000 . 5.000 3.714 2.848 4.547 . 0 0 "[ . 1 . 2 ]" 1
589 1 63 GLU H 1 63 GLU HB2 0.000 . 3.500 2.530 2.207 3.355 . 0 0 "[ . 1 . 2 ]" 1
590 1 63 GLU HA 1 63 GLU HB3 0.000 . 2.700 2.657 2.473 3.037 0.337 10 0 "[ . 1 . 2 ]" 1
591 1 63 GLU HA 1 64 GLY H 0.000 . 3.500 2.808 2.225 3.490 . 0 0 "[ . 1 . 2 ]" 1
592 1 63 GLU HB2 1 64 GLY H 0.000 . 5.000 3.780 2.941 4.512 . 0 0 "[ . 1 . 2 ]" 1
593 1 63 GLU HB3 1 64 GLY H 0.000 . 5.000 3.469 2.019 4.149 . 0 0 "[ . 1 . 2 ]" 1
594 1 64 GLY H 1 65 GLU H 0.000 . 5.000 4.159 2.468 4.678 . 0 0 "[ . 1 . 2 ]" 1
595 1 64 GLY QA 1 65 GLU H 0.000 . 3.500 2.370 2.160 2.885 . 0 0 "[ . 1 . 2 ]" 1
596 1 65 GLU H 1 66 SER H 0.000 . 5.000 3.818 2.461 4.699 . 0 0 "[ . 1 . 2 ]" 1
597 1 65 GLU HA 1 66 SER H 0.000 . 3.500 2.749 2.211 3.502 0.002 21 0 "[ . 1 . 2 ]" 1
598 1 65 GLU HB2 1 66 SER H 0.000 . 5.000 3.710 2.884 4.332 . 0 0 "[ . 1 . 2 ]" 1
599 1 65 GLU HB3 1 66 SER H 0.000 . 5.000 3.501 2.737 4.102 . 0 0 "[ . 1 . 2 ]" 1
600 1 66 SER HA 1 67 ARG H 0.000 . 3.500 2.723 2.233 3.500 . 0 0 "[ . 1 . 2 ]" 1
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