NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379822 |
1i5j   |
6143 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i5j
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 411
_Distance_constraint_stats_list.Viol_count 1908
_Distance_constraint_stats_list.Viol_total 5848.413
_Distance_constraint_stats_list.Viol_max 3.229
_Distance_constraint_stats_list.Viol_rms 0.1597
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0228
_Distance_constraint_stats_list.Viol_average_violations_only 0.1226
_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 13 THR 134.702 3.229 1 24 "[+*-***************** ****]"
1 14 PHE 18.642 1.074 1 20 "[+* **-***1*** *****2 ****]"
1 15 LEU 60.048 3.229 1 24 "[+************-****** ****]"
1 16 THR 33.334 2.453 1 22 "[+ ********* **-***** ****]"
1 17 GLN 0.175 0.055 25 0 "[ . 1 . 2 .]"
1 18 VAL 1.138 0.069 25 0 "[ . 1 . 2 .]"
1 19 LYS 3.616 0.103 12 0 "[ . 1 . 2 .]"
1 20 GLU 1.889 0.103 12 0 "[ . 1 . 2 .]"
1 21 SER 2.333 0.100 5 0 "[ . 1 . 2 .]"
1 22 LEU 0.810 0.051 2 0 "[ . 1 . 2 .]"
1 23 SER 3.589 0.080 16 0 "[ . 1 . 2 .]"
1 24 SER 1.874 0.080 16 0 "[ . 1 . 2 .]"
1 25 TYR 3.535 0.129 2 0 "[ . 1 . 2 .]"
1 26 TRP 1.862 0.060 22 0 "[ . 1 . 2 .]"
1 27 GLU 2.289 0.078 23 0 "[ . 1 . 2 .]"
1 28 SER 3.069 0.120 4 0 "[ . 1 . 2 .]"
1 29 ALA 2.135 0.067 1 0 "[ . 1 . 2 .]"
1 30 LYS 3.196 0.068 16 0 "[ . 1 . 2 .]"
1 31 THR 4.835 0.120 4 0 "[ . 1 . 2 .]"
1 32 ALA 1.934 0.069 12 0 "[ . 1 . 2 .]"
1 33 ALA 1.614 0.069 12 0 "[ . 1 . 2 .]"
1 34 GLN 1.542 0.116 2 0 "[ . 1 . 2 .]"
1 35 ASN 2.779 0.128 14 0 "[ . 1 . 2 .]"
1 36 LEU 3.097 0.169 7 0 "[ . 1 . 2 .]"
1 37 TYR 3.568 0.253 8 0 "[ . 1 . 2 .]"
1 38 GLU 7.209 0.287 15 0 "[ . 1 . 2 .]"
1 39 LYS 5.879 0.287 15 0 "[ . 1 . 2 .]"
1 40 THR 1.412 0.173 7 0 "[ . 1 . 2 .]"
1 41 TYR 1.607 0.173 7 0 "[ . 1 . 2 .]"
1 42 LEU 0.903 0.071 7 0 "[ . 1 . 2 .]"
1 44 ALA 0.628 0.087 24 0 "[ . 1 . 2 .]"
1 45 VAL 1.411 0.138 18 0 "[ . 1 . 2 .]"
1 46 ASP 1.692 0.242 22 0 "[ . 1 . 2 .]"
1 47 GLU 0.329 0.117 8 0 "[ . 1 . 2 .]"
1 48 LYS 1.165 0.118 16 0 "[ . 1 . 2 .]"
1 49 LEU 1.041 0.138 18 0 "[ . 1 . 2 .]"
1 50 ARG 1.716 0.242 22 0 "[ . 1 . 2 .]"
1 51 ASP 0.690 0.274 4 0 "[ . 1 . 2 .]"
1 52 LEU 1.670 0.274 4 0 "[ . 1 . 2 .]"
1 53 TYR 1.605 0.083 5 0 "[ . 1 . 2 .]"
1 54 SER 5.077 0.269 18 0 "[ . 1 . 2 .]"
1 55 LYS 3.976 0.265 24 0 "[ . 1 . 2 .]"
1 56 SER 1.107 0.075 1 0 "[ . 1 . 2 .]"
1 57 THR 0.431 0.164 20 0 "[ . 1 . 2 .]"
1 58 ALA 4.030 0.269 18 0 "[ . 1 . 2 .]"
1 59 ALA 1.689 0.265 24 0 "[ . 1 . 2 .]"
1 60 MET 1.950 0.128 12 0 "[ . 1 . 2 .]"
1 61 SER 0.101 0.053 14 0 "[ . 1 . 2 .]"
1 62 THR 0.186 0.031 20 0 "[ . 1 . 2 .]"
1 63 TYR 3.430 0.108 7 0 "[ . 1 . 2 .]"
1 64 THR 4.924 0.119 8 0 "[ . 1 . 2 .]"
1 65 GLY 4.452 0.119 8 0 "[ . 1 . 2 .]"
1 66 ILE 2.450 0.154 7 0 "[ . 1 . 2 .]"
1 67 PHE 7.152 0.154 7 0 "[ . 1 . 2 .]"
1 68 THR 2.572 0.099 15 0 "[ . 1 . 2 .]"
1 69 ASP 1.225 0.066 10 0 "[ . 1 . 2 .]"
1 70 GLN 1.754 0.087 6 0 "[ . 1 . 2 .]"
1 71 VAL 5.352 0.156 13 0 "[ . 1 . 2 .]"
1 72 LEU 8.892 0.484 19 0 "[ . 1 . 2 .]"
1 73 SER 1.079 0.058 10 0 "[ . 1 . 2 .]"
1 74 VAL 2.931 0.138 2 0 "[ . 1 . 2 .]"
1 75 LEU 13.997 0.399 14 0 "[ . 1 . 2 .]"
1 76 LYS 2.634 0.122 10 0 "[ . 1 . 2 .]"
1 77 GLY 0.442 0.044 21 0 "[ . 1 . 2 .]"
1 78 GLU 2.804 0.168 1 0 "[ . 1 . 2 .]"
1 79 GLU 16.020 0.484 19 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 13 THR H 1 13 THR HB 0.000 . 2.620 3.554 2.412 4.152 1.532 23 22 "[* -************** ** *+**]" 1
2 1 13 THR H 1 13 THR MG 0.000 . 4.510 3.161 1.998 3.931 . 0 0 "[ . 1 . 2 .]" 1
3 1 13 THR H 1 14 PHE H 0.000 . 3.490 4.057 1.968 4.564 1.074 1 20 "[+* **-***1*** *****2 ****]" 1
4 1 13 THR H 1 15 LEU H 0.000 . 3.490 5.888 3.920 6.719 3.229 1 24 "[+************-****** ****]" 1
5 1 13 THR H 1 16 THR H 0.000 . 4.630 5.943 4.171 7.083 2.453 1 22 "[+ ********* **-***** ****]" 1
6 1 13 THR HA 1 14 PHE H 0.000 . 3.390 2.567 2.134 3.441 0.051 20 0 "[ . 1 . 2 .]" 1
7 1 13 THR HB 1 14 PHE H 0.000 . 3.550 2.780 1.945 3.569 0.019 10 0 "[ . 1 . 2 .]" 1
8 1 13 THR HB 1 15 LEU H 0.000 . 4.140 3.555 2.288 4.163 0.023 11 0 "[ . 1 . 2 .]" 1
9 1 13 THR HB 1 16 THR H 0.000 . 3.800 2.917 2.255 3.689 . 0 0 "[ . 1 . 2 .]" 1
10 1 13 THR MG 1 14 PHE H 0.000 . 6.340 3.453 1.821 4.339 . 0 0 "[ . 1 . 2 .]" 1
11 1 13 THR MG 1 15 LEU H 0.000 . 6.530 4.104 2.148 5.272 . 0 0 "[ . 1 . 2 .]" 1
12 1 14 PHE H 1 14 PHE HB2 0.000 . 3.140 2.692 2.103 3.218 0.078 20 0 "[ . 1 . 2 .]" 1
13 1 14 PHE H 1 14 PHE HB3 0.000 . 3.400 3.194 2.744 3.508 0.108 14 0 "[ . 1 . 2 .]" 1
14 1 14 PHE H 1 15 LEU H 0.000 . 3.330 2.411 1.859 3.006 . 0 0 "[ . 1 . 2 .]" 1
15 1 14 PHE HA 1 17 GLN H 0.000 . 4.790 3.884 3.218 4.693 . 0 0 "[ . 1 . 2 .]" 1
16 1 14 PHE QB 1 15 LEU H 0.000 . 4.020 2.587 1.946 3.178 . 0 0 "[ . 1 . 2 .]" 1
17 1 14 PHE HB2 1 15 LEU H 0.000 . 4.450 3.495 2.909 4.311 . 0 0 "[ . 1 . 2 .]" 1
18 1 14 PHE HB3 1 15 LEU H 0.000 . 4.450 2.687 1.977 3.292 . 0 0 "[ . 1 . 2 .]" 1
19 1 15 LEU H 1 15 LEU HG 0.000 . 3.020 2.202 1.915 2.594 . 0 0 "[ . 1 . 2 .]" 1
20 1 15 LEU H 1 16 THR H 0.000 . 3.110 2.573 2.150 2.862 . 0 0 "[ . 1 . 2 .]" 1
21 1 15 LEU HA 1 18 VAL H 0.000 . 4.010 3.675 3.400 3.958 . 0 0 "[ . 1 . 2 .]" 1
22 1 15 LEU QB 1 16 THR H 0.000 . 5.070 2.767 2.073 3.484 . 0 0 "[ . 1 . 2 .]" 1
23 1 15 LEU QB 1 17 GLN H 0.000 . 5.600 4.542 4.287 4.735 . 0 0 "[ . 1 . 2 .]" 1
24 1 15 LEU HG 1 16 THR H 0.000 . 4.380 3.445 1.896 4.273 . 0 0 "[ . 1 . 2 .]" 1
25 1 16 THR H 1 16 THR HB 0.000 . 3.050 2.667 2.504 3.020 . 0 0 "[ . 1 . 2 .]" 1
26 1 16 THR H 1 17 GLN H 0.000 . 3.450 2.683 2.539 2.847 . 0 0 "[ . 1 . 2 .]" 1
27 1 16 THR HA 1 19 LYS H 0.000 . 3.420 3.253 2.946 3.441 0.021 24 0 "[ . 1 . 2 .]" 1
28 1 16 THR MG 1 19 LYS H 0.000 . 6.530 4.598 3.818 5.140 . 0 0 "[ . 1 . 2 .]" 1
29 1 17 GLN H 1 18 VAL H 0.000 . 2.900 2.674 2.509 2.914 0.014 9 0 "[ . 1 . 2 .]" 1
30 1 17 GLN HA 1 19 LYS H 0.000 . 4.660 4.429 4.063 4.715 0.055 25 0 "[ . 1 . 2 .]" 1
31 1 18 VAL H 1 19 LYS H 0.000 . 2.680 2.420 1.920 2.732 0.052 11 0 "[ . 1 . 2 .]" 1
32 1 18 VAL HA 1 21 SER H 0.000 . 3.550 3.530 3.411 3.619 0.069 25 0 "[ . 1 . 2 .]" 1
33 1 18 VAL HA 1 22 LEU H 0.000 . 5.160 3.845 3.595 4.115 . 0 0 "[ . 1 . 2 .]" 1
34 1 18 VAL HB 1 19 LYS H 0.000 . 2.680 2.700 2.638 2.729 0.049 24 0 "[ . 1 . 2 .]" 1
35 1 18 VAL QG 1 19 LYS H 0.000 . 6.260 3.312 3.289 3.335 . 0 0 "[ . 1 . 2 .]" 1
36 1 19 LYS H 1 19 LYS QB 0.000 . 3.450 2.181 2.022 2.494 . 0 0 "[ . 1 . 2 .]" 1
37 1 19 LYS H 1 19 LYS QD 0.000 . 5.290 3.695 2.072 4.429 . 0 0 "[ . 1 . 2 .]" 1
38 1 19 LYS H 1 20 GLU H 0.000 . 2.740 2.812 2.791 2.843 0.103 12 0 "[ . 1 . 2 .]" 1
39 1 19 LYS HA 1 20 GLU H 0.000 . 3.550 3.554 3.550 3.558 0.008 10 0 "[ . 1 . 2 .]" 1
40 1 19 LYS HA 1 22 LEU H 0.000 . 3.640 3.630 3.545 3.679 0.039 2 0 "[ . 1 . 2 .]" 1
41 1 19 LYS HA 1 23 SER H 0.000 . 3.920 3.940 3.912 3.966 0.046 21 0 "[ . 1 . 2 .]" 1
42 1 19 LYS QB 1 20 GLU H 0.000 . 3.200 2.148 2.035 2.278 . 0 0 "[ . 1 . 2 .]" 1
43 1 19 LYS QB 1 21 SER H 0.000 . 4.610 4.075 4.029 4.097 . 0 0 "[ . 1 . 2 .]" 1
44 1 19 LYS HB2 1 20 GLU H 0.000 . 3.420 2.621 2.086 3.300 . 0 0 "[ . 1 . 2 .]" 1
45 1 19 LYS HB3 1 20 GLU H 0.000 . 3.420 2.605 2.055 3.265 . 0 0 "[ . 1 . 2 .]" 1
46 1 20 GLU H 1 20 GLU QB 0.000 . 3.650 2.344 2.135 2.558 . 0 0 "[ . 1 . 2 .]" 1
47 1 20 GLU H 1 20 GLU HG2 0.000 . 4.510 2.979 2.099 4.099 . 0 0 "[ . 1 . 2 .]" 1
48 1 20 GLU H 1 20 GLU QG 0.000 . 3.940 2.507 2.073 2.909 . 0 0 "[ . 1 . 2 .]" 1
49 1 20 GLU H 1 20 GLU HG3 0.000 . 4.510 2.990 2.190 3.800 . 0 0 "[ . 1 . 2 .]" 1
50 1 20 GLU QB 1 21 SER H 0.000 . 4.050 3.029 2.984 3.105 . 0 0 "[ . 1 . 2 .]" 1
51 1 21 SER H 1 21 SER HB2 0.000 . 3.020 2.076 2.052 2.103 . 0 0 "[ . 1 . 2 .]" 1
52 1 21 SER H 1 21 SER QB 0.000 . 2.790 2.045 2.025 2.068 . 0 0 "[ . 1 . 2 .]" 1
53 1 21 SER H 1 21 SER HB3 0.000 . 3.020 3.078 3.049 3.120 0.100 5 0 "[ . 1 . 2 .]" 1
54 1 21 SER H 1 22 LEU H 0.000 . 2.650 2.635 2.594 2.673 0.023 21 0 "[ . 1 . 2 .]" 1
55 1 21 SER HA 1 24 SER H 0.000 . 3.520 3.539 3.491 3.562 0.042 22 0 "[ . 1 . 2 .]" 1
56 1 21 SER QB 1 22 LEU H 0.000 . 3.180 2.291 2.231 2.319 . 0 0 "[ . 1 . 2 .]" 1
57 1 21 SER HB2 1 22 LEU H 0.000 . 3.610 3.049 2.932 3.116 . 0 0 "[ . 1 . 2 .]" 1
58 1 21 SER HB3 1 22 LEU H 0.000 . 3.610 2.369 2.313 2.401 . 0 0 "[ . 1 . 2 .]" 1
59 1 22 LEU H 1 23 SER H 0.000 . 2.590 2.593 2.520 2.641 0.051 2 0 "[ . 1 . 2 .]" 1
60 1 22 LEU HA 1 23 SER H 0.000 . 3.490 3.495 3.466 3.514 0.024 25 0 "[ . 1 . 2 .]" 1
61 1 22 LEU HA 1 25 TYR H 0.000 . 3.640 3.429 3.230 3.641 0.001 1 0 "[ . 1 . 2 .]" 1
62 1 22 LEU HA 1 26 TRP H 0.000 . 5.130 5.000 4.565 5.166 0.036 25 0 "[ . 1 . 2 .]" 1
63 1 22 LEU QD 1 23 SER H 0.000 . 7.630 3.961 2.775 4.241 . 0 0 "[ . 1 . 2 .]" 1
64 1 23 SER H 1 23 SER QB 0.000 . 3.830 2.260 2.076 2.593 . 0 0 "[ . 1 . 2 .]" 1
65 1 23 SER H 1 24 SER H 0.000 . 2.650 2.536 2.449 2.582 . 0 0 "[ . 1 . 2 .]" 1
66 1 23 SER HA 1 24 SER H 0.000 . 3.450 3.505 3.486 3.530 0.080 16 0 "[ . 1 . 2 .]" 1
67 1 23 SER HA 1 25 TYR H 0.000 . 4.110 4.133 4.113 4.159 0.049 21 0 "[ . 1 . 2 .]" 1
68 1 23 SER HA 1 26 TRP H 0.000 . 3.860 3.541 3.366 3.768 . 0 0 "[ . 1 . 2 .]" 1
69 1 23 SER HA 1 27 GLU H 0.000 . 4.230 4.257 4.207 4.308 0.078 23 0 "[ . 1 . 2 .]" 1
70 1 23 SER QB 1 24 SER H 0.000 . 4.300 2.699 2.484 2.854 . 0 0 "[ . 1 . 2 .]" 1
71 1 23 SER QB 1 25 TYR H 0.000 . 5.820 4.646 4.407 4.753 . 0 0 "[ . 1 . 2 .]" 1
72 1 23 SER QB 1 26 TRP H 0.000 . 6.380 4.909 4.684 5.088 . 0 0 "[ . 1 . 2 .]" 1
73 1 24 SER H 1 24 SER QB 0.000 . 3.740 2.397 2.210 2.714 . 0 0 "[ . 1 . 2 .]" 1
74 1 24 SER HA 1 26 TRP H 0.000 . 5.130 3.978 3.813 4.080 . 0 0 "[ . 1 . 2 .]" 1
75 1 24 SER HA 1 27 GLU H 0.000 . 3.580 2.767 2.645 2.871 . 0 0 "[ . 1 . 2 .]" 1
76 1 24 SER QB 1 25 TYR H 0.000 . 4.330 2.804 2.644 3.471 . 0 0 "[ . 1 . 2 .]" 1
77 1 24 SER QB 1 27 GLU H 0.000 . 5.040 4.295 4.259 4.336 . 0 0 "[ . 1 . 2 .]" 1
78 1 24 SER QB 1 28 SER H 0.000 . 6.000 4.507 3.911 5.087 . 0 0 "[ . 1 . 2 .]" 1
79 1 25 TYR H 1 25 TYR HB2 0.000 . 2.960 1.997 1.981 2.016 . 0 0 "[ . 1 . 2 .]" 1
80 1 25 TYR H 1 25 TYR QB 0.000 . 2.700 1.972 1.959 1.989 . 0 0 "[ . 1 . 2 .]" 1
81 1 25 TYR H 1 25 TYR HB3 0.000 . 2.960 3.057 3.036 3.089 0.129 2 0 "[ . 1 . 2 .]" 1
82 1 25 TYR H 1 26 TRP H 0.000 . 2.900 2.667 2.610 2.745 . 0 0 "[ . 1 . 2 .]" 1
83 1 25 TYR HB2 1 26 TRP H 0.000 . 3.330 3.351 3.333 3.373 0.043 19 0 "[ . 1 . 2 .]" 1
84 1 25 TYR HB3 1 26 TRP H 0.000 . 3.330 2.814 2.702 2.925 . 0 0 "[ . 1 . 2 .]" 1
85 1 26 TRP H 1 26 TRP QB 0.000 . 3.650 2.322 2.203 2.566 . 0 0 "[ . 1 . 2 .]" 1
86 1 26 TRP H 1 27 GLU H 0.000 . 2.800 2.133 2.013 2.233 . 0 0 "[ . 1 . 2 .]" 1
87 1 26 TRP HA 1 27 GLU H 0.000 . 3.390 3.430 3.417 3.450 0.060 22 0 "[ . 1 . 2 .]" 1
88 1 26 TRP HA 1 28 SER H 0.000 . 4.200 4.090 3.842 4.236 0.036 16 0 "[ . 1 . 2 .]" 1
89 1 26 TRP HA 1 29 ALA H 0.000 . 3.580 3.271 3.114 3.456 . 0 0 "[ . 1 . 2 .]" 1
90 1 26 TRP HA 1 30 LYS H 0.000 . 4.550 4.473 4.005 4.590 0.040 10 0 "[ . 1 . 2 .]" 1
91 1 26 TRP QB 1 27 GLU H 0.000 . 3.990 3.106 3.019 3.159 . 0 0 "[ . 1 . 2 .]" 1
92 1 27 GLU H 1 27 GLU QB 0.000 . 3.620 2.188 2.074 2.244 . 0 0 "[ . 1 . 2 .]" 1
93 1 27 GLU H 1 27 GLU QG 0.000 . 5.010 3.805 2.728 4.077 . 0 0 "[ . 1 . 2 .]" 1
94 1 27 GLU H 1 28 SER H 0.000 . 2.830 2.653 2.482 2.852 0.022 23 0 "[ . 1 . 2 .]" 1
95 1 27 GLU HA 1 28 SER H 0.000 . 3.630 3.529 3.485 3.549 . 0 0 "[ . 1 . 2 .]" 1
96 1 27 GLU HA 1 29 ALA H 0.000 . 4.420 4.321 4.220 4.438 0.018 9 0 "[ . 1 . 2 .]" 1
97 1 27 GLU HA 1 30 LYS H 0.000 . 3.300 3.321 3.290 3.368 0.068 16 0 "[ . 1 . 2 .]" 1
98 1 27 GLU HA 1 31 THR H 0.000 . 4.300 4.218 4.139 4.304 0.004 21 0 "[ . 1 . 2 .]" 1
99 1 27 GLU QB 1 28 SER H 0.000 . 3.960 2.651 2.479 2.868 . 0 0 "[ . 1 . 2 .]" 1
100 1 27 GLU QG 1 28 SER H 0.000 . 6.380 4.195 3.768 4.583 . 0 0 "[ . 1 . 2 .]" 1
101 1 28 SER H 1 28 SER HB2 0.000 . 3.160 2.954 2.598 3.223 0.063 9 0 "[ . 1 . 2 .]" 1
102 1 28 SER H 1 28 SER HB3 0.000 . 2.710 2.211 2.066 2.481 . 0 0 "[ . 1 . 2 .]" 1
103 1 28 SER H 1 29 ALA H 0.000 . 2.600 2.616 2.512 2.653 0.053 9 0 "[ . 1 . 2 .]" 1
104 1 28 SER HA 1 29 ALA H 0.000 . 3.600 3.524 3.513 3.544 . 0 0 "[ . 1 . 2 .]" 1
105 1 28 SER HA 1 30 LYS H 0.000 . 5.030 4.094 3.996 4.191 . 0 0 "[ . 1 . 2 .]" 1
106 1 28 SER HB2 1 31 THR H 0.000 . 5.060 5.153 5.125 5.180 0.120 4 0 "[ . 1 . 2 .]" 1
107 1 28 SER HB3 1 29 ALA H 0.000 . 3.050 2.876 2.716 3.074 0.024 1 0 "[ . 1 . 2 .]" 1
108 1 29 ALA H 1 29 ALA MB 0.000 . 3.580 2.179 2.066 2.246 . 0 0 "[ . 1 . 2 .]" 1
109 1 29 ALA H 1 30 LYS H 0.000 . 2.490 2.533 2.511 2.557 0.067 1 0 "[ . 1 . 2 .]" 1
110 1 29 ALA H 1 31 THR H 0.000 . 4.200 3.758 3.686 3.806 . 0 0 "[ . 1 . 2 .]" 1
111 1 29 ALA HA 1 30 LYS H 0.000 . 3.550 3.489 3.469 3.499 . 0 0 "[ . 1 . 2 .]" 1
112 1 29 ALA HA 1 32 ALA H 0.000 . 3.750 3.763 3.678 3.814 0.064 9 0 "[ . 1 . 2 .]" 1
113 1 29 ALA MB 1 30 LYS H 0.000 . 3.770 2.677 2.573 2.779 . 0 0 "[ . 1 . 2 .]" 1
114 1 30 LYS H 1 30 LYS QB 0.000 . 3.770 2.199 2.069 2.546 . 0 0 "[ . 1 . 2 .]" 1
115 1 30 LYS H 1 30 LYS QG 0.000 . 4.760 3.201 2.085 3.837 . 0 0 "[ . 1 . 2 .]" 1
116 1 30 LYS H 1 31 THR H 0.000 . 2.900 2.357 2.300 2.438 . 0 0 "[ . 1 . 2 .]" 1
117 1 30 LYS H 1 32 ALA H 0.000 . 5.310 4.316 4.154 4.511 . 0 0 "[ . 1 . 2 .]" 1
118 1 30 LYS HA 1 31 THR H 0.000 . 3.420 3.467 3.444 3.481 0.061 3 0 "[ . 1 . 2 .]" 1
119 1 30 LYS HA 1 32 ALA H 0.000 . 5.280 4.630 4.121 4.993 . 0 0 "[ . 1 . 2 .]" 1
120 1 30 LYS HA 1 33 ALA H 0.000 . 3.550 3.530 3.443 3.588 0.038 25 0 "[ . 1 . 2 .]" 1
121 1 30 LYS HA 1 34 GLN H 0.000 . 4.910 4.497 3.688 4.922 0.012 9 0 "[ . 1 . 2 .]" 1
122 1 31 THR H 1 31 THR HB 0.000 . 2.590 2.385 2.270 2.506 . 0 0 "[ . 1 . 2 .]" 1
123 1 31 THR H 1 31 THR MG 0.000 . 4.340 3.714 3.681 3.729 . 0 0 "[ . 1 . 2 .]" 1
124 1 31 THR H 1 32 ALA H 0.000 . 2.710 2.657 2.535 2.724 0.014 24 0 "[ . 1 . 2 .]" 1
125 1 31 THR H 1 33 ALA H 0.000 . 4.480 3.725 3.463 3.970 . 0 0 "[ . 1 . 2 .]" 1
126 1 31 THR HB 1 32 ALA H 0.000 . 3.390 2.406 2.166 2.646 . 0 0 "[ . 1 . 2 .]" 1
127 1 31 THR HB 1 33 ALA H 0.000 . 4.650 4.565 4.385 4.712 0.062 10 0 "[ . 1 . 2 .]" 1
128 1 31 THR HB 1 34 GLN H 0.000 . 5.160 5.199 5.127 5.261 0.101 25 0 "[ . 1 . 2 .]" 1
129 1 31 THR MG 1 32 ALA H 0.000 . 4.790 3.196 2.710 3.559 . 0 0 "[ . 1 . 2 .]" 1
130 1 31 THR MG 1 33 ALA H 0.000 . 5.440 4.486 4.462 4.506 . 0 0 "[ . 1 . 2 .]" 1
131 1 31 THR MG 1 34 GLN H 0.000 . 5.660 4.217 3.941 4.603 . 0 0 "[ . 1 . 2 .]" 1
132 1 32 ALA H 1 32 ALA MB 0.000 . 3.490 2.131 2.030 2.238 . 0 0 "[ . 1 . 2 .]" 1
133 1 32 ALA H 1 33 ALA H 0.000 . 2.590 2.630 2.547 2.659 0.069 12 0 "[ . 1 . 2 .]" 1
134 1 32 ALA HA 1 34 GLN H 0.000 . 5.410 4.214 3.968 4.506 . 0 0 "[ . 1 . 2 .]" 1
135 1 32 ALA HA 1 35 ASN H 0.000 . 3.580 3.578 3.485 3.632 0.052 9 0 "[ . 1 . 2 .]" 1
136 1 32 ALA MB 1 35 ASN H 0.000 . 6.530 4.758 4.671 4.854 . 0 0 "[ . 1 . 2 .]" 1
137 1 32 ALA MB 1 36 LEU H 0.000 . 6.530 5.029 4.674 5.484 . 0 0 "[ . 1 . 2 .]" 1
138 1 33 ALA H 1 33 ALA MB 0.000 . 3.430 2.192 2.076 2.284 . 0 0 "[ . 1 . 2 .]" 1
139 1 33 ALA H 1 34 GLN H 0.000 . 2.650 2.331 2.251 2.448 . 0 0 "[ . 1 . 2 .]" 1
140 1 33 ALA H 1 35 ASN H 0.000 . 4.230 3.959 3.694 4.217 . 0 0 "[ . 1 . 2 .]" 1
141 1 33 ALA HA 1 36 LEU H 0.000 . 4.040 3.737 3.319 4.062 0.022 1 0 "[ . 1 . 2 .]" 1
142 1 33 ALA MB 1 34 GLN H 0.000 . 4.080 2.781 2.541 2.951 . 0 0 "[ . 1 . 2 .]" 1
143 1 33 ALA MB 1 35 ASN H 0.000 . 6.530 4.576 4.363 4.835 . 0 0 "[ . 1 . 2 .]" 1
144 1 33 ALA MB 1 36 LEU H 0.000 . 6.530 4.899 4.577 5.208 . 0 0 "[ . 1 . 2 .]" 1
145 1 34 GLN H 1 34 GLN HB2 0.000 . 3.610 2.127 2.060 2.196 . 0 0 "[ . 1 . 2 .]" 1
146 1 34 GLN H 1 34 GLN QB 0.000 . 2.990 2.099 2.040 2.137 . 0 0 "[ . 1 . 2 .]" 1
147 1 34 GLN H 1 34 GLN HB3 0.000 . 3.610 3.266 2.902 3.465 . 0 0 "[ . 1 . 2 .]" 1
148 1 34 GLN H 1 35 ASN H 0.000 . 3.270 2.545 2.326 2.813 . 0 0 "[ . 1 . 2 .]" 1
149 1 34 GLN HA 1 37 TYR H 0.000 . 3.610 3.514 3.287 3.726 0.116 2 0 "[ . 1 . 2 .]" 1
150 1 34 GLN QB 1 35 ASN H 0.000 . 3.680 2.732 2.487 2.852 . 0 0 "[ . 1 . 2 .]" 1
151 1 35 ASN H 1 35 ASN HB2 0.000 . 3.020 2.022 1.993 2.053 . 0 0 "[ . 1 . 2 .]" 1
152 1 35 ASN H 1 35 ASN QB 0.000 . 2.730 1.995 1.970 2.021 . 0 0 "[ . 1 . 2 .]" 1
153 1 35 ASN H 1 35 ASN HB3 0.000 . 3.020 3.052 2.979 3.107 0.087 8 0 "[ . 1 . 2 .]" 1
154 1 35 ASN H 1 36 LEU H 0.000 . 3.610 2.834 2.486 3.113 . 0 0 "[ . 1 . 2 .]" 1
155 1 35 ASN H 1 39 LYS H 0.000 . 4.510 4.561 4.430 4.638 0.128 14 0 "[ . 1 . 2 .]" 1
156 1 35 ASN HA 1 38 GLU H 0.000 . 4.410 3.890 3.197 4.471 0.061 2 0 "[ . 1 . 2 .]" 1
157 1 35 ASN QB 1 36 LEU H 0.000 . 3.300 2.346 1.980 2.579 . 0 0 "[ . 1 . 2 .]" 1
158 1 35 ASN HB2 1 36 LEU H 0.000 . 3.580 3.204 3.070 3.378 . 0 0 "[ . 1 . 2 .]" 1
159 1 35 ASN HB3 1 36 LEU H 0.000 . 3.580 2.416 2.005 2.682 . 0 0 "[ . 1 . 2 .]" 1
160 1 36 LEU H 1 36 LEU HB2 0.000 . 2.900 1.967 1.923 1.998 . 0 0 "[ . 1 . 2 .]" 1
161 1 36 LEU H 1 36 LEU QB 0.000 . 2.640 1.944 1.906 1.973 . 0 0 "[ . 1 . 2 .]" 1
162 1 36 LEU H 1 36 LEU HB3 0.000 . 2.970 3.058 3.020 3.139 0.169 7 0 "[ . 1 . 2 .]" 1
163 1 36 LEU H 1 37 TYR H 0.000 . 2.830 2.644 2.448 2.884 0.054 2 0 "[ . 1 . 2 .]" 1
164 1 36 LEU HB2 1 37 TYR H 0.000 . 3.440 3.466 3.416 3.557 0.117 7 0 "[ . 1 . 2 .]" 1
165 1 36 LEU HB3 1 37 TYR H 0.000 . 3.360 3.066 2.801 3.365 0.005 7 0 "[ . 1 . 2 .]" 1
166 1 36 LEU HG 1 37 TYR H 0.000 . 5.500 5.017 4.715 5.357 . 0 0 "[ . 1 . 2 .]" 1
167 1 37 TYR H 1 37 TYR QB 0.000 . 3.740 2.331 2.057 2.908 . 0 0 "[ . 1 . 2 .]" 1
168 1 37 TYR H 1 38 GLU H 0.000 . 3.080 2.353 1.660 3.053 0.140 3 0 "[ . 1 . 2 .]" 1
169 1 37 TYR H 1 39 LYS QG 0.000 . 6.380 5.298 3.495 5.590 . 0 0 "[ . 1 . 2 .]" 1
170 1 37 TYR H 1 41 TYR QB 0.000 . 6.350 5.194 4.418 5.587 . 0 0 "[ . 1 . 2 .]" 1
171 1 37 TYR HA 1 38 GLU H 0.000 . 3.270 3.346 3.208 3.523 0.253 8 0 "[ . 1 . 2 .]" 1
172 1 37 TYR QB 1 38 GLU H 0.000 . 4.200 3.116 1.773 3.498 0.027 14 0 "[ . 1 . 2 .]" 1
173 1 37 TYR QB 1 39 LYS H 0.000 . 6.380 4.343 3.038 5.486 . 0 0 "[ . 1 . 2 .]" 1
174 1 38 GLU H 1 38 GLU QB 0.000 . 3.800 2.725 2.072 3.021 . 0 0 "[ . 1 . 2 .]" 1
175 1 38 GLU H 1 38 GLU QG 0.000 . 4.920 3.718 3.043 4.079 . 0 0 "[ . 1 . 2 .]" 1
176 1 38 GLU H 1 39 LYS H 0.000 . 2.800 2.292 1.662 2.874 0.138 21 0 "[ . 1 . 2 .]" 1
177 1 38 GLU H 1 40 THR H 0.000 . 4.070 3.614 2.751 4.161 0.091 9 0 "[ . 1 . 2 .]" 1
178 1 38 GLU HA 1 39 LYS H 0.000 . 3.280 3.317 2.825 3.567 0.287 15 0 "[ . 1 . 2 .]" 1
179 1 39 LYS H 1 39 LYS QB 0.000 . 3.900 2.574 2.106 3.106 . 0 0 "[ . 1 . 2 .]" 1
180 1 39 LYS H 1 39 LYS QG 0.000 . 4.920 2.800 1.907 3.955 . 0 0 "[ . 1 . 2 .]" 1
181 1 39 LYS H 1 40 THR H 0.000 . 2.800 2.642 1.998 2.830 0.030 13 0 "[ . 1 . 2 .]" 1
182 1 39 LYS QB 1 40 THR H 0.000 . 4.490 3.067 2.232 3.683 . 0 0 "[ . 1 . 2 .]" 1
183 1 39 LYS QG 1 40 THR H 0.000 . 6.380 3.922 2.094 4.713 . 0 0 "[ . 1 . 2 .]" 1
184 1 40 THR H 1 40 THR HB 0.000 . 2.960 2.573 2.361 3.114 0.154 7 0 "[ . 1 . 2 .]" 1
185 1 40 THR H 1 40 THR MG 0.000 . 4.670 3.745 3.703 3.824 . 0 0 "[ . 1 . 2 .]" 1
186 1 40 THR H 1 41 TYR H 0.000 . 3.210 2.300 1.693 3.165 0.107 1 0 "[ . 1 . 2 .]" 1
187 1 40 THR HA 1 41 TYR H 0.000 . 3.520 3.439 3.340 3.559 0.039 9 0 "[ . 1 . 2 .]" 1
188 1 40 THR HA 1 44 ALA H 0.000 . 5.070 4.861 4.204 5.152 0.082 3 0 "[ . 1 . 2 .]" 1
189 1 40 THR HB 1 41 TYR H 0.000 . 3.280 3.095 2.168 3.453 0.173 7 0 "[ . 1 . 2 .]" 1
190 1 40 THR MG 1 41 TYR H 0.000 . 4.980 3.771 2.087 4.007 . 0 0 "[ . 1 . 2 .]" 1
191 1 41 TYR H 1 41 TYR HB2 0.000 . 3.080 2.079 2.036 2.148 . 0 0 "[ . 1 . 2 .]" 1
192 1 41 TYR H 1 41 TYR QB 0.000 . 2.880 2.048 2.012 2.115 . 0 0 "[ . 1 . 2 .]" 1
193 1 41 TYR H 1 41 TYR HB3 0.000 . 3.080 3.085 2.935 3.159 0.079 7 0 "[ . 1 . 2 .]" 1
194 1 41 TYR HA 1 42 LEU H 0.000 . 3.490 3.434 2.393 3.561 0.071 7 0 "[ . 1 . 2 .]" 1
195 1 41 TYR QB 1 42 LEU H 0.000 . 3.900 2.596 1.841 3.052 . 0 0 "[ . 1 . 2 .]" 1
196 1 41 TYR HB2 1 42 LEU H 0.000 . 4.110 3.448 2.909 4.106 . 0 0 "[ . 1 . 2 .]" 1
197 1 41 TYR HB3 1 42 LEU H 0.000 . 4.110 2.709 1.855 3.253 . 0 0 "[ . 1 . 2 .]" 1
198 1 42 LEU H 1 42 LEU QB 0.000 . 3.900 2.546 2.078 3.030 . 0 0 "[ . 1 . 2 .]" 1
199 1 42 LEU H 1 42 LEU HG 0.000 . 4.010 3.222 1.987 4.053 0.043 18 0 "[ . 1 . 2 .]" 1
200 1 42 LEU HA 1 45 VAL H 0.000 . 5.500 5.064 4.046 5.571 0.071 1 0 "[ . 1 . 2 .]" 1
201 1 44 ALA H 1 45 VAL H 0.000 . 2.960 2.456 1.737 3.012 0.063 4 0 "[ . 1 . 2 .]" 1
202 1 44 ALA HA 1 45 VAL H 0.000 . 3.110 2.896 2.373 3.197 0.087 24 0 "[ . 1 . 2 .]" 1
203 1 44 ALA MB 1 46 ASP H 0.000 . 6.530 5.032 4.044 5.734 . 0 0 "[ . 1 . 2 .]" 1
204 1 45 VAL H 1 45 VAL HB 0.000 . 2.770 2.694 2.583 2.852 0.082 16 0 "[ . 1 . 2 .]" 1
205 1 45 VAL H 1 46 ASP H 0.000 . 2.960 2.440 1.863 3.024 0.064 16 0 "[ . 1 . 2 .]" 1
206 1 45 VAL HA 1 49 LEU H 0.000 . 4.690 4.423 3.605 4.828 0.138 18 0 "[ . 1 . 2 .]" 1
207 1 45 VAL HB 1 46 ASP H 0.000 . 3.180 2.464 1.854 3.183 0.003 13 0 "[ . 1 . 2 .]" 1
208 1 45 VAL QG 1 46 ASP H 0.000 . 5.860 3.136 2.295 3.520 . 0 0 "[ . 1 . 2 .]" 1
209 1 45 VAL MG1 1 46 ASP H 0.000 . 6.530 3.445 2.324 3.967 . 0 0 "[ . 1 . 2 .]" 1
210 1 45 VAL MG2 1 46 ASP H 0.000 . 6.530 3.674 3.389 3.936 . 0 0 "[ . 1 . 2 .]" 1
211 1 46 ASP H 1 47 GLU H 0.000 . 3.330 2.749 2.422 3.447 0.117 8 0 "[ . 1 . 2 .]" 1
212 1 46 ASP HA 1 47 GLU H 0.000 . 3.580 3.239 2.104 3.568 . 0 0 "[ . 1 . 2 .]" 1
213 1 46 ASP HA 1 48 LYS H 0.000 . 4.790 4.664 3.438 4.905 0.115 14 0 "[ . 1 . 2 .]" 1
214 1 46 ASP HA 1 49 LEU H 0.000 . 4.850 3.940 3.464 4.845 . 0 0 "[ . 1 . 2 .]" 1
215 1 46 ASP HA 1 50 ARG H 0.000 . 4.290 4.245 2.985 4.532 0.242 22 0 "[ . 1 . 2 .]" 1
216 1 46 ASP QB 1 47 GLU H 0.000 . 4.520 3.046 2.021 3.726 . 0 0 "[ . 1 . 2 .]" 1
217 1 46 ASP QB 1 49 LEU H 0.000 . 6.310 4.993 3.397 5.568 . 0 0 "[ . 1 . 2 .]" 1
218 1 47 GLU QB 1 50 ARG H 0.000 . 5.110 4.317 3.848 4.517 . 0 0 "[ . 1 . 2 .]" 1
219 1 47 GLU QB 1 51 ASP H 0.000 . 6.380 5.257 4.773 5.660 . 0 0 "[ . 1 . 2 .]" 1
220 1 48 LYS H 1 48 LYS QB 0.000 . 3.460 2.248 2.044 2.801 . 0 0 "[ . 1 . 2 .]" 1
221 1 48 LYS H 1 49 LEU H 0.000 . 2.740 2.696 1.853 2.858 0.118 16 0 "[ . 1 . 2 .]" 1
222 1 48 LYS H 1 50 ARG H 0.000 . 4.040 3.842 3.114 4.137 0.097 22 0 "[ . 1 . 2 .]" 1
223 1 48 LYS HA 1 52 LEU H 0.000 . 5.500 5.189 3.828 5.542 0.042 16 0 "[ . 1 . 2 .]" 1
224 1 49 LEU H 1 49 LEU QB 0.000 . 3.460 2.305 2.162 2.376 . 0 0 "[ . 1 . 2 .]" 1
225 1 49 LEU H 1 49 LEU HG 0.000 . 3.490 3.066 2.506 3.538 0.048 22 0 "[ . 1 . 2 .]" 1
226 1 49 LEU H 1 50 ARG H 0.000 . 2.830 2.203 1.904 2.444 . 0 0 "[ . 1 . 2 .]" 1
227 1 50 ARG H 1 51 ASP H 0.000 . 3.550 2.918 1.986 3.614 0.064 19 0 "[ . 1 . 2 .]" 1
228 1 50 ARG HA 1 52 LEU H 0.000 . 4.350 4.291 3.711 4.423 0.073 14 0 "[ . 1 . 2 .]" 1
229 1 50 ARG HA 1 53 TYR H 0.000 . 5.280 3.900 3.364 4.452 . 0 0 "[ . 1 . 2 .]" 1
230 1 51 ASP H 1 52 LEU H 0.000 . 3.050 2.287 1.905 2.778 . 0 0 "[ . 1 . 2 .]" 1
231 1 51 ASP H 1 53 TYR H 0.000 . 4.040 3.381 2.471 4.068 0.028 6 0 "[ . 1 . 2 .]" 1
232 1 51 ASP HA 1 53 TYR H 0.000 . 4.380 3.976 3.667 4.349 . 0 0 "[ . 1 . 2 .]" 1
233 1 51 ASP HA 1 54 SER H 0.000 . 3.450 3.385 3.190 3.481 0.031 22 0 "[ . 1 . 2 .]" 1
234 1 51 ASP QB 1 55 LYS H 0.000 . 6.130 5.160 4.830 5.288 . 0 0 "[ . 1 . 2 .]" 1
235 1 51 ASP HB2 1 52 LEU H 0.000 . 3.270 2.969 2.587 3.358 0.088 4 0 "[ . 1 . 2 .]" 1
236 1 51 ASP HB3 1 52 LEU H 0.000 . 3.270 2.940 2.286 3.544 0.274 4 0 "[ . 1 . 2 .]" 1
237 1 52 LEU H 1 52 LEU HG 0.000 . 2.590 2.252 1.965 2.585 . 0 0 "[ . 1 . 2 .]" 1
238 1 52 LEU H 1 53 TYR H 0.000 . 2.770 2.784 2.705 2.853 0.083 5 0 "[ . 1 . 2 .]" 1
239 1 52 LEU QB 1 53 TYR H 0.000 . 4.640 3.431 3.209 3.612 . 0 0 "[ . 1 . 2 .]" 1
240 1 52 LEU QD 1 53 TYR H 0.000 . 7.630 2.773 2.181 3.212 . 0 0 "[ . 1 . 2 .]" 1
241 1 52 LEU HG 1 53 TYR H 0.000 . 3.640 2.165 1.952 2.484 . 0 0 "[ . 1 . 2 .]" 1
242 1 52 LEU HG 1 54 SER H 0.000 . 5.070 4.679 4.323 4.899 . 0 0 "[ . 1 . 2 .]" 1
243 1 53 TYR H 1 53 TYR HB2 0.000 . 2.900 2.256 2.160 2.458 . 0 0 "[ . 1 . 2 .]" 1
244 1 53 TYR H 1 53 TYR HB3 0.000 . 2.900 2.914 2.886 2.937 0.037 21 0 "[ . 1 . 2 .]" 1
245 1 53 TYR H 1 54 SER H 0.000 . 2.990 2.607 2.303 2.834 . 0 0 "[ . 1 . 2 .]" 1
246 1 53 TYR H 1 55 LYS H 0.000 . 5.030 3.821 3.634 3.947 . 0 0 "[ . 1 . 2 .]" 1
247 1 53 TYR HA 1 56 SER H 0.000 . 4.200 3.912 3.409 4.239 0.039 12 0 "[ . 1 . 2 .]" 1
248 1 53 TYR QB 1 54 SER H 0.000 . 3.050 2.220 2.159 2.272 . 0 0 "[ . 1 . 2 .]" 1
249 1 53 TYR HB2 1 54 SER H 0.000 . 3.270 3.295 3.277 3.319 0.049 24 0 "[ . 1 . 2 .]" 1
250 1 53 TYR HB3 1 54 SER H 0.000 . 3.270 2.257 2.188 2.316 . 0 0 "[ . 1 . 2 .]" 1
251 1 54 SER H 1 55 LYS H 0.000 . 2.960 2.849 2.698 3.001 0.041 12 0 "[ . 1 . 2 .]" 1
252 1 54 SER H 1 56 SER H 0.000 . 4.380 4.393 4.170 4.446 0.066 17 0 "[ . 1 . 2 .]" 1
253 1 54 SER HA 1 55 LYS H 0.000 . 2.990 3.063 2.931 3.176 0.186 18 0 "[ . 1 . 2 .]" 1
254 1 54 SER HA 1 58 ALA H 0.000 . 3.970 3.594 2.722 4.239 0.269 18 0 "[ . 1 . 2 .]" 1
255 1 54 SER HA 1 59 ALA H 0.000 . 4.350 3.990 2.497 4.401 0.051 16 0 "[ . 1 . 2 .]" 1
256 1 55 LYS H 1 55 LYS QB 0.000 . 3.770 2.567 2.280 2.880 . 0 0 "[ . 1 . 2 .]" 1
257 1 55 LYS H 1 56 SER H 0.000 . 2.930 1.904 1.725 2.221 0.075 1 0 "[ . 1 . 2 .]" 1
258 1 55 LYS HA 1 58 ALA H 0.000 . 3.900 3.701 2.401 3.996 0.096 13 0 "[ . 1 . 2 .]" 1
259 1 55 LYS HA 1 59 ALA H 0.000 . 3.860 3.011 2.231 4.125 0.265 24 0 "[ . 1 . 2 .]" 1
260 1 55 LYS QB 1 56 SER H 0.000 . 4.300 2.906 2.315 3.328 . 0 0 "[ . 1 . 2 .]" 1
261 1 55 LYS QB 1 57 THR H 0.000 . 6.380 4.553 4.249 4.870 . 0 0 "[ . 1 . 2 .]" 1
262 1 55 LYS QB 1 58 ALA H 0.000 . 6.310 5.047 4.280 5.481 . 0 0 "[ . 1 . 2 .]" 1
263 1 56 SER H 1 59 ALA H 0.000 . 4.600 4.230 3.775 4.662 0.062 20 0 "[ . 1 . 2 .]" 1
264 1 56 SER QB 1 60 MET H 0.000 . 6.500 5.684 5.605 5.825 . 0 0 "[ . 1 . 2 .]" 1
265 1 57 THR H 1 58 ALA H 0.000 . 2.680 1.925 1.636 2.352 0.164 20 0 "[ . 1 . 2 .]" 1
266 1 57 THR HA 1 58 ALA H 0.000 . 3.520 3.391 2.919 3.524 0.004 12 0 "[ . 1 . 2 .]" 1
267 1 57 THR MG 1 59 ALA H 0.000 . 6.530 4.743 3.232 5.544 . 0 0 "[ . 1 . 2 .]" 1
268 1 57 THR MG 1 60 MET H 0.000 . 6.530 5.369 4.931 5.603 . 0 0 "[ . 1 . 2 .]" 1
269 1 58 ALA H 1 59 ALA H 0.000 . 2.650 2.162 1.896 2.384 . 0 0 "[ . 1 . 2 .]" 1
270 1 58 ALA HA 1 59 ALA H 0.000 . 3.560 3.386 2.702 3.585 0.025 2 0 "[ . 1 . 2 .]" 1
271 1 58 ALA HA 1 60 MET H 0.000 . 3.600 3.646 3.314 3.728 0.128 12 0 "[ . 1 . 2 .]" 1
272 1 58 ALA HA 1 61 SER H 0.000 . 3.610 3.281 2.749 3.663 0.053 14 0 "[ . 1 . 2 .]" 1
273 1 58 ALA HA 1 62 THR H 0.000 . 3.830 3.416 2.072 3.861 0.031 20 0 "[ . 1 . 2 .]" 1
274 1 58 ALA MB 1 60 MET H 0.000 . 6.530 4.196 4.019 4.835 . 0 0 "[ . 1 . 2 .]" 1
275 1 59 ALA H 1 60 MET H 0.000 . 3.920 2.617 2.155 2.758 . 0 0 "[ . 1 . 2 .]" 1
276 1 59 ALA MB 1 60 MET H 0.000 . 4.330 3.108 2.547 3.419 . 0 0 "[ . 1 . 2 .]" 1
277 1 60 MET H 1 60 MET QB 0.000 . 3.770 2.672 2.193 2.931 . 0 0 "[ . 1 . 2 .]" 1
278 1 60 MET H 1 60 MET HG2 0.000 . 4.230 3.194 2.356 4.217 . 0 0 "[ . 1 . 2 .]" 1
279 1 60 MET H 1 60 MET QG 0.000 . 3.950 2.611 2.057 3.116 . 0 0 "[ . 1 . 2 .]" 1
280 1 60 MET H 1 60 MET HG3 0.000 . 4.230 3.037 2.079 4.186 . 0 0 "[ . 1 . 2 .]" 1
281 1 60 MET H 1 61 SER H 0.000 . 2.590 2.033 1.799 2.456 0.001 14 0 "[ . 1 . 2 .]" 1
282 1 60 MET H 1 62 THR H 0.000 . 4.170 3.425 3.003 4.175 0.005 1 0 "[ . 1 . 2 .]" 1
283 1 60 MET HA 1 63 TYR H 0.000 . 3.980 3.763 3.036 4.021 0.041 14 0 "[ . 1 . 2 .]" 1
284 1 60 MET QB 1 61 SER H 0.000 . 4.270 3.171 2.475 3.491 . 0 0 "[ . 1 . 2 .]" 1
285 1 60 MET QB 1 62 THR H 0.000 . 6.380 4.868 4.266 5.455 . 0 0 "[ . 1 . 2 .]" 1
286 1 60 MET QG 1 61 SER H 0.000 . 6.380 3.102 1.815 4.402 . 0 0 "[ . 1 . 2 .]" 1
287 1 61 SER H 1 62 THR H 0.000 . 2.740 2.394 2.087 2.587 . 0 0 "[ . 1 . 2 .]" 1
288 1 61 SER HA 1 64 THR H 0.000 . 4.570 3.822 3.034 4.460 . 0 0 "[ . 1 . 2 .]" 1
289 1 62 THR H 1 62 THR HB 0.000 . 2.800 2.599 2.455 2.820 0.020 8 0 "[ . 1 . 2 .]" 1
290 1 62 THR H 1 63 TYR H 0.000 . 3.080 2.468 1.860 2.815 . 0 0 "[ . 1 . 2 .]" 1
291 1 62 THR HA 1 65 GLY H 0.000 . 4.480 3.753 3.526 4.107 . 0 0 "[ . 1 . 2 .]" 1
292 1 62 THR HB 1 63 TYR H 0.000 . 3.920 3.300 2.662 3.948 0.028 24 0 "[ . 1 . 2 .]" 1
293 1 62 THR MG 1 63 TYR H 0.000 . 6.090 3.756 1.937 4.294 . 0 0 "[ . 1 . 2 .]" 1
294 1 63 TYR H 1 63 TYR HB2 0.000 . 3.020 2.024 2.007 2.046 . 0 0 "[ . 1 . 2 .]" 1
295 1 63 TYR H 1 63 TYR QB 0.000 . 2.760 1.999 1.985 2.017 . 0 0 "[ . 1 . 2 .]" 1
296 1 63 TYR H 1 63 TYR HB3 0.000 . 3.020 3.099 3.061 3.128 0.108 7 0 "[ . 1 . 2 .]" 1
297 1 63 TYR H 1 64 THR H 0.000 . 2.430 2.480 2.428 2.532 0.102 3 0 "[ . 1 . 2 .]" 1
298 1 63 TYR HA 1 64 THR H 0.000 . 3.580 3.492 3.468 3.515 . 0 0 "[ . 1 . 2 .]" 1
299 1 63 TYR HA 1 65 GLY H 0.000 . 4.720 3.581 3.532 3.633 . 0 0 "[ . 1 . 2 .]" 1
300 1 63 TYR HA 1 66 ILE H 0.000 . 3.980 2.812 2.697 3.107 . 0 0 "[ . 1 . 2 .]" 1
301 1 63 TYR HA 1 67 PHE H 0.000 . 4.410 4.119 3.826 4.334 . 0 0 "[ . 1 . 2 .]" 1
302 1 63 TYR QB 1 64 THR H 0.000 . 3.660 2.823 2.779 2.853 . 0 0 "[ . 1 . 2 .]" 1
303 1 63 TYR QB 1 66 ILE H 0.000 . 4.840 4.314 4.285 4.354 . 0 0 "[ . 1 . 2 .]" 1
304 1 63 TYR QB 1 67 PHE H 0.000 . 5.980 4.576 4.233 4.879 . 0 0 "[ . 1 . 2 .]" 1
305 1 63 TYR HB2 1 64 THR H 0.000 . 3.920 3.361 3.318 3.428 . 0 0 "[ . 1 . 2 .]" 1
306 1 63 TYR HB2 1 66 ILE H 0.000 . 5.500 5.222 5.144 5.394 . 0 0 "[ . 1 . 2 .]" 1
307 1 63 TYR HB3 1 64 THR H 0.000 . 3.920 3.035 2.975 3.088 . 0 0 "[ . 1 . 2 .]" 1
308 1 63 TYR HB3 1 66 ILE H 0.000 . 5.500 4.599 4.553 4.672 . 0 0 "[ . 1 . 2 .]" 1
309 1 64 THR H 1 64 THR MG 0.000 . 4.730 2.689 1.922 3.720 . 0 0 "[ . 1 . 2 .]" 1
310 1 64 THR H 1 65 GLY H 0.000 . 2.560 2.641 2.609 2.679 0.119 8 0 "[ . 1 . 2 .]" 1
311 1 64 THR HA 1 65 GLY H 0.000 . 3.360 3.419 3.408 3.429 0.069 6 0 "[ . 1 . 2 .]" 1
312 1 64 THR HA 1 66 ILE H 0.000 . 4.790 4.117 3.878 4.234 . 0 0 "[ . 1 . 2 .]" 1
313 1 64 THR HA 1 67 PHE H 0.000 . 3.640 3.532 3.052 3.676 0.036 3 0 "[ . 1 . 2 .]" 1
314 1 64 THR MG 1 65 GLY H 0.000 . 6.120 3.848 2.230 4.338 . 0 0 "[ . 1 . 2 .]" 1
315 1 64 THR MG 1 66 ILE H 0.000 . 6.530 5.171 4.235 5.465 . 0 0 "[ . 1 . 2 .]" 1
316 1 64 THR MG 1 67 PHE H 0.000 . 6.500 5.138 4.752 5.422 . 0 0 "[ . 1 . 2 .]" 1
317 1 65 GLY H 1 66 ILE H 0.000 . 3.050 2.259 2.187 2.442 . 0 0 "[ . 1 . 2 .]" 1
318 1 65 GLY H 1 67 PHE H 0.000 . 3.640 3.678 3.661 3.700 0.060 9 0 "[ . 1 . 2 .]" 1
319 1 65 GLY QA 1 68 THR H 0.000 . 4.980 4.039 3.794 4.119 . 0 0 "[ . 1 . 2 .]" 1
320 1 66 ILE H 1 66 ILE HB 0.000 . 2.740 2.606 2.511 2.716 . 0 0 "[ . 1 . 2 .]" 1
321 1 66 ILE H 1 66 ILE MD 0.000 . 4.700 2.948 1.875 3.355 . 0 0 "[ . 1 . 2 .]" 1
322 1 66 ILE H 1 66 ILE QG 0.000 . 4.980 2.460 2.063 3.312 . 0 0 "[ . 1 . 2 .]" 1
323 1 66 ILE H 1 67 PHE H 0.000 . 2.870 2.225 2.034 2.385 . 0 0 "[ . 1 . 2 .]" 1
324 1 66 ILE HA 1 67 PHE H 0.000 . 3.270 3.368 3.326 3.424 0.154 7 0 "[ . 1 . 2 .]" 1
325 1 66 ILE HA 1 69 ASP H 0.000 . 3.760 3.254 2.990 3.623 . 0 0 "[ . 1 . 2 .]" 1
326 1 66 ILE HB 1 67 PHE H 0.000 . 3.610 3.272 3.026 3.461 . 0 0 "[ . 1 . 2 .]" 1
327 1 66 ILE MD 1 69 ASP H 0.000 . 6.530 5.009 4.558 5.553 . 0 0 "[ . 1 . 2 .]" 1
328 1 66 ILE QG 1 67 PHE H 0.000 . 6.380 4.204 4.028 4.587 . 0 0 "[ . 1 . 2 .]" 1
329 1 66 ILE MG 1 67 PHE H 0.000 . 6.530 3.994 3.755 4.151 . 0 0 "[ . 1 . 2 .]" 1
330 1 67 PHE H 1 67 PHE HB2 0.000 . 2.960 2.048 2.031 2.074 . 0 0 "[ . 1 . 2 .]" 1
331 1 67 PHE H 1 67 PHE QB 0.000 . 2.760 2.016 2.002 2.038 . 0 0 "[ . 1 . 2 .]" 1
332 1 67 PHE H 1 67 PHE HB3 0.000 . 2.960 3.017 2.987 3.041 0.081 2 0 "[ . 1 . 2 .]" 1
333 1 67 PHE HA 1 68 THR H 0.000 . 3.450 3.536 3.521 3.549 0.099 15 0 "[ . 1 . 2 .]" 1
334 1 67 PHE QB 1 68 THR H 0.000 . 3.330 2.380 2.092 2.476 . 0 0 "[ . 1 . 2 .]" 1
335 1 67 PHE HB2 1 68 THR H 0.000 . 3.640 3.212 3.087 3.289 . 0 0 "[ . 1 . 2 .]" 1
336 1 67 PHE HB3 1 68 THR H 0.000 . 3.640 2.455 2.126 2.565 . 0 0 "[ . 1 . 2 .]" 1
337 1 68 THR H 1 68 THR HB 0.000 . 3.180 3.083 2.973 3.184 0.004 1 0 "[ . 1 . 2 .]" 1
338 1 68 THR H 1 68 THR MG 0.000 . 4.570 3.539 3.448 3.582 . 0 0 "[ . 1 . 2 .]" 1
339 1 68 THR H 1 69 ASP H 0.000 . 3.140 2.534 2.255 2.823 . 0 0 "[ . 1 . 2 .]" 1
340 1 68 THR HA 1 71 VAL H 0.000 . 3.520 3.370 3.171 3.521 0.001 16 0 "[ . 1 . 2 .]" 1
341 1 68 THR HB 1 69 ASP H 0.000 . 3.180 3.171 3.068 3.211 0.031 7 0 "[ . 1 . 2 .]" 1
342 1 68 THR HB 1 71 VAL H 0.000 . 4.760 4.738 4.629 4.799 0.039 1 0 "[ . 1 . 2 .]" 1
343 1 68 THR MG 1 69 ASP H 0.000 . 5.750 4.280 4.228 4.308 . 0 0 "[ . 1 . 2 .]" 1
344 1 68 THR MG 1 71 VAL H 0.000 . 6.530 4.125 3.713 4.486 . 0 0 "[ . 1 . 2 .]" 1
345 1 68 THR MG 1 72 LEU H 0.000 . 6.530 3.791 2.953 4.462 . 0 0 "[ . 1 . 2 .]" 1
346 1 69 ASP H 1 69 ASP QB 0.000 . 3.800 2.155 2.045 2.351 . 0 0 "[ . 1 . 2 .]" 1
347 1 69 ASP H 1 70 GLN H 0.000 . 3.110 2.732 2.670 2.808 . 0 0 "[ . 1 . 2 .]" 1
348 1 69 ASP HA 1 70 GLN H 0.000 . 3.420 3.459 3.399 3.486 0.066 10 0 "[ . 1 . 2 .]" 1
349 1 69 ASP HA 1 71 VAL H 0.000 . 3.830 3.700 3.567 3.829 . 0 0 "[ . 1 . 2 .]" 1
350 1 69 ASP HA 1 72 LEU H 0.000 . 4.660 4.192 3.730 4.655 . 0 0 "[ . 1 . 2 .]" 1
351 1 69 ASP HA 1 73 SER H 0.000 . 4.480 4.242 4.029 4.476 . 0 0 "[ . 1 . 2 .]" 1
352 1 69 ASP QB 1 70 GLN H 0.000 . 4.270 2.957 2.807 3.193 . 0 0 "[ . 1 . 2 .]" 1
353 1 70 GLN H 1 70 GLN QB 0.000 . 3.830 2.398 2.180 2.874 . 0 0 "[ . 1 . 2 .]" 1
354 1 70 GLN H 1 71 VAL H 0.000 . 2.490 2.459 2.300 2.556 0.066 16 0 "[ . 1 . 2 .]" 1
355 1 70 GLN HA 1 71 VAL H 0.000 . 3.180 3.174 3.021 3.267 0.087 6 0 "[ . 1 . 2 .]" 1
356 1 70 GLN HA 1 73 SER H 0.000 . 3.980 3.783 3.276 4.003 0.023 21 0 "[ . 1 . 2 .]" 1
357 1 70 GLN HA 1 74 VAL H 0.000 . 5.500 4.335 3.920 5.000 . 0 0 "[ . 1 . 2 .]" 1
358 1 70 GLN QG 1 71 VAL H 0.000 . 6.380 4.301 3.120 4.733 . 0 0 "[ . 1 . 2 .]" 1
359 1 71 VAL H 1 71 VAL HB 0.000 . 2.460 2.511 2.460 2.557 0.097 14 0 "[ . 1 . 2 .]" 1
360 1 71 VAL H 1 72 LEU H 0.000 . 2.710 2.378 2.126 2.650 . 0 0 "[ . 1 . 2 .]" 1
361 1 71 VAL H 1 73 SER H 0.000 . 3.300 3.122 2.983 3.261 . 0 0 "[ . 1 . 2 .]" 1
362 1 71 VAL H 1 74 VAL H 0.000 . 5.410 4.298 3.713 4.613 . 0 0 "[ . 1 . 2 .]" 1
363 1 71 VAL HA 1 72 LEU H 0.000 . 3.610 3.564 3.533 3.585 . 0 0 "[ . 1 . 2 .]" 1
364 1 71 VAL HA 1 73 SER H 0.000 . 4.480 4.283 4.056 4.537 0.057 14 0 "[ . 1 . 2 .]" 1
365 1 71 VAL HA 1 74 VAL H 0.000 . 3.830 3.703 3.353 3.891 0.061 12 0 "[ . 1 . 2 .]" 1
366 1 71 VAL HA 1 75 LEU H 0.000 . 3.930 4.017 3.957 4.086 0.156 13 0 "[ . 1 . 2 .]" 1
367 1 71 VAL HB 1 73 SER H 0.000 . 4.510 4.430 4.166 4.568 0.058 10 0 "[ . 1 . 2 .]" 1
368 1 72 LEU H 1 72 LEU HG 0.000 . 2.620 1.981 1.588 2.216 0.212 19 0 "[ . 1 . 2 .]" 1
369 1 72 LEU H 1 73 SER H 0.000 . 2.830 2.397 2.108 2.733 . 0 0 "[ . 1 . 2 .]" 1
370 1 72 LEU H 1 74 VAL H 0.000 . 4.140 3.892 3.602 4.154 0.014 21 0 "[ . 1 . 2 .]" 1
371 1 72 LEU H 1 79 GLU H 0.000 . 4.670 4.954 4.198 5.154 0.484 19 0 "[ . 1 . 2 .]" 1
372 1 72 LEU HA 1 75 LEU H 0.000 . 3.080 3.048 2.923 3.161 0.081 18 0 "[ . 1 . 2 .]" 1
373 1 72 LEU HA 1 76 LYS H 0.000 . 3.950 2.751 2.297 3.787 . 0 0 "[ . 1 . 2 .]" 1
374 1 72 LEU HA 1 79 GLU H 0.000 . 5.500 4.048 3.252 4.301 . 0 0 "[ . 1 . 2 .]" 1
375 1 72 LEU QB 1 73 SER H 0.000 . 4.730 3.394 2.785 3.631 . 0 0 "[ . 1 . 2 .]" 1
376 1 72 LEU QB 1 74 VAL H 0.000 . 6.380 4.692 4.382 4.955 . 0 0 "[ . 1 . 2 .]" 1
377 1 72 LEU QD 1 73 SER H 0.000 . 7.540 3.320 2.925 3.778 . 0 0 "[ . 1 . 2 .]" 1
378 1 72 LEU HG 1 73 SER H 0.000 . 3.550 2.557 2.199 3.455 . 0 0 "[ . 1 . 2 .]" 1
379 1 72 LEU HG 1 74 VAL H 0.000 . 5.060 4.804 4.583 5.168 0.108 14 0 "[ . 1 . 2 .]" 1
380 1 73 SER H 1 73 SER QB 0.000 . 3.650 2.228 2.098 2.360 . 0 0 "[ . 1 . 2 .]" 1
381 1 73 SER H 1 74 VAL H 0.000 . 2.590 2.493 2.329 2.600 0.010 7 0 "[ . 1 . 2 .]" 1
382 1 73 SER HA 1 74 VAL H 0.000 . 3.490 3.398 3.329 3.470 . 0 0 "[ . 1 . 2 .]" 1
383 1 73 SER HA 1 76 LYS H 0.000 . 4.480 4.366 4.005 4.501 0.021 25 0 "[ . 1 . 2 .]" 1
384 1 73 SER HA 1 77 GLY H 0.000 . 4.350 4.082 2.739 4.384 0.034 12 0 "[ . 1 . 2 .]" 1
385 1 73 SER QB 1 76 LYS H 0.000 . 6.280 5.494 5.429 5.616 . 0 0 "[ . 1 . 2 .]" 1
386 1 74 VAL H 1 74 VAL HB 0.000 . 2.740 2.686 2.527 2.788 0.048 2 0 "[ . 1 . 2 .]" 1
387 1 74 VAL H 1 75 LEU H 0.000 . 2.770 1.950 1.762 2.116 0.038 2 0 "[ . 1 . 2 .]" 1
388 1 74 VAL H 1 76 LYS H 0.000 . 4.110 3.487 3.097 4.151 0.041 21 0 "[ . 1 . 2 .]" 1
389 1 74 VAL H 1 77 GLY H 0.000 . 5.500 4.416 3.554 5.544 0.044 21 0 "[ . 1 . 2 .]" 1
390 1 74 VAL H 1 78 GLU H 0.000 . 4.350 4.171 3.831 4.443 0.093 16 0 "[ . 1 . 2 .]" 1
391 1 74 VAL HB 1 75 LEU H 0.000 . 3.050 3.120 3.062 3.188 0.138 2 0 "[ . 1 . 2 .]" 1
392 1 74 VAL QG 1 75 LEU H 0.000 . 7.100 3.498 3.463 3.526 . 0 0 "[ . 1 . 2 .]" 1
393 1 75 LEU H 1 75 LEU HG 0.000 . 2.400 2.415 2.037 2.486 0.086 5 0 "[ . 1 . 2 .]" 1
394 1 75 LEU H 1 76 LYS H 0.000 . 2.650 2.176 1.972 2.655 0.005 6 0 "[ . 1 . 2 .]" 1
395 1 75 LEU H 1 78 GLU H 0.000 . 4.380 4.303 4.019 4.548 0.168 1 0 "[ . 1 . 2 .]" 1
396 1 75 LEU H 1 79 GLU H 0.000 . 4.570 4.892 4.855 4.969 0.399 14 0 "[ . 1 . 2 .]" 1
397 1 75 LEU QD 1 76 LYS H 0.000 . 7.630 3.675 2.631 4.301 . 0 0 "[ . 1 . 2 .]" 1
398 1 76 LYS H 1 76 LYS HB2 0.000 . 3.360 2.349 2.244 3.040 . 0 0 "[ . 1 . 2 .]" 1
399 1 76 LYS H 1 76 LYS QB 0.000 . 3.020 2.283 2.218 2.428 . 0 0 "[ . 1 . 2 .]" 1
400 1 76 LYS H 1 76 LYS HB3 0.000 . 3.360 3.356 2.380 3.474 0.114 8 0 "[ . 1 . 2 .]" 1
401 1 76 LYS H 1 77 GLY H 0.000 . 2.770 2.123 1.888 2.662 . 0 0 "[ . 1 . 2 .]" 1
402 1 76 LYS H 1 78 GLU H 0.000 . 3.360 3.413 3.355 3.482 0.122 10 0 "[ . 1 . 2 .]" 1
403 1 76 LYS HA 1 77 GLY H 0.000 . 3.520 3.391 3.309 3.540 0.020 21 0 "[ . 1 . 2 .]" 1
404 1 76 LYS QB 1 77 GLY H 0.000 . 4.090 3.033 1.936 3.310 . 0 0 "[ . 1 . 2 .]" 1
405 1 76 LYS HB2 1 77 GLY H 0.000 . 4.320 3.397 2.520 4.320 . 0 0 "[ . 1 . 2 .]" 1
406 1 76 LYS HB3 1 77 GLY H 0.000 . 4.320 3.462 2.011 3.821 . 0 0 "[ . 1 . 2 .]" 1
407 1 77 GLY H 1 78 GLU H 0.000 . 3.270 2.176 1.942 2.616 . 0 0 "[ . 1 . 2 .]" 1
408 1 78 GLU H 1 78 GLU HB2 0.000 . 3.800 3.071 2.587 3.919 0.119 10 0 "[ . 1 . 2 .]" 1
409 1 78 GLU H 1 78 GLU QB 0.000 . 3.410 2.874 2.481 3.024 . 0 0 "[ . 1 . 2 .]" 1
410 1 78 GLU H 1 78 GLU HB3 0.000 . 3.800 3.667 2.769 3.835 0.035 7 0 "[ . 1 . 2 .]" 1
411 1 78 GLU H 1 79 GLU H 0.000 . 3.390 2.664 1.855 3.014 . 0 0 "[ . 1 . 2 .]" 1
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