NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621420 |
5m4t   |
34055 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5m4t
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 1147
_Distance_constraint_stats_list.Viol_count 1675
_Distance_constraint_stats_list.Viol_total 5588.438
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0953
_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 3 LYS 5.739 0.340 6 0 "[ . 1 . 2 . 3 .]"
1 4 LYS 0.543 0.174 24 0 "[ . 1 . 2 . 3 .]"
1 5 GLN 2.984 0.577 19 1 "[ . 1 . +2 . 3 .]"
1 6 GLN 4.721 0.577 19 1 "[ . 1 . +2 . 3 .]"
1 7 THR 3.012 0.242 9 0 "[ . 1 . 2 . 3 .]"
1 8 GLU 2.775 0.220 13 0 "[ . 1 . 2 . 3 .]"
1 9 SER 4.841 0.302 28 0 "[ . 1 . 2 . 3 .]"
1 10 ALA 0.419 0.095 28 0 "[ . 1 . 2 . 3 .]"
1 11 GLU 2.021 0.302 28 0 "[ . 1 . 2 . 3 .]"
1 12 ASN 3.235 0.247 33 0 "[ . 1 . 2 . 3 .]"
1 13 LYS 8.769 0.674 28 1 "[ . 1 . 2 . + 3 .]"
1 14 GLU 7.066 0.247 33 0 "[ . 1 . 2 . 3 .]"
1 15 LYS 8.980 0.708 4 3 "[ +. 1 . 2 . *3- .]"
1 16 ILE 7.298 0.708 4 3 "[ +. 1 . 2 . *3- .]"
1 17 CYS 3.313 0.161 27 0 "[ . 1 . 2 . 3 .]"
1 18 ASN 3.759 0.218 23 0 "[ . 1 . 2 . 3 .]"
1 19 ALA 1.721 0.131 24 0 "[ . 1 . 2 . 3 .]"
1 20 ALA 7.229 0.353 18 0 "[ . 1 . 2 . 3 .]"
1 21 LYS 5.711 0.626 11 1 "[ . 1+ . 2 . 3 .]"
1 22 ASP 4.919 0.960 20 4 "[ * . 1* . + . 3 -.]"
1 23 ASN 5.139 0.679 28 3 "[ . 1 . - 2 .* + 3 .]"
1 24 GLN 2.599 0.438 13 0 "[ . 1 . 2 . 3 .]"
1 25 LYS 7.069 0.682 24 4 "[ . 1 . - 2 +.* * 3 .]"
1 26 ALA 6.684 0.611 33 1 "[ . 1 . 2 . 3 + .]"
1 27 CYS 15.181 0.815 7 3 "[ . + 1 . -2 . 3* .]"
1 28 GLU 3.436 0.682 24 1 "[ . 1 . 2 +. 3 .]"
1 29 ASN 11.777 0.611 33 2 "[ . 1 . -2 . 3 + .]"
1 30 LEU 5.214 0.592 4 2 "[ +. 1 . 2 . 3 - .]"
1 31 LYS 9.110 0.603 17 3 "[ . 1 . + *2- . 3 .]"
1 32 GLU 3.094 0.577 19 1 "[ . 1 . +2 . 3 .]"
1 33 LYS 5.122 0.708 4 4 "[ +. 1 . 2 . *3*- .]"
1 34 GLY 3.174 0.674 28 1 "[ . 1 . 2 . + 3 .]"
1 35 CYS 6.080 0.603 17 3 "[ *. 1 . + 2- . 3 .]"
1 36 VAL 3.674 0.253 13 0 "[ . 1 . 2 . 3 .]"
1 37 PHE 18.973 0.815 7 6 "[ . + 1 . - * . * ** .]"
1 38 ASN 5.837 0.459 34 0 "[ . 1 . 2 . 3 .]"
1 39 THR 1.295 0.139 7 0 "[ . 1 . 2 . 3 .]"
1 40 GLU 3.883 0.577 19 1 "[ . 1 . +2 . 3 .]"
1 41 SER 2.745 0.577 19 1 "[ . 1 . +2 . 3 .]"
1 42 ASN 5.664 0.960 20 3 "[ * . 1 . + . 3 -.]"
1 43 LYS 1.763 0.139 7 0 "[ . 1 . 2 . 3 .]"
1 44 CYS 8.150 0.755 27 4 "[ . 1 . - * . + * .]"
1 45 GLU 1.829 0.139 7 0 "[ . 1 . 2 . 3 .]"
1 46 LEU 6.588 0.674 28 1 "[ . 1 . 2 . + 3 .]"
1 47 LYS 21.221 0.837 25 7 "[ .* 1 *-. * 2* + * 3 .]"
1 48 LYS 13.064 0.837 25 3 "[ .* 1 -. 2 + 3 .]"
1 49 ASP 13.912 0.837 25 3 "[ .* 1 -. 2 + 3 .]"
1 50 VAL 1.884 0.128 2 0 "[ . 1 . 2 . 3 .]"
1 51 LYS 16.572 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 52 GLU 6.516 0.455 10 0 "[ . 1 . 2 . 3 .]"
1 53 LYS 10.743 0.340 6 0 "[ . 1 . 2 . 3 .]"
1 54 LEU 4.096 0.175 33 0 "[ . 1 . 2 . 3 .]"
1 55 GLU 9.097 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 56 LYS 6.687 0.340 6 0 "[ . 1 . 2 . 3 .]"
1 57 GLU 1.684 0.217 13 0 "[ . 1 . 2 . 3 .]"
1 58 SER 1.258 0.217 13 0 "[ . 1 . 2 . 3 .]"
1 59 LYS 9.324 0.866 22 5 "[* * . 1 .- 2 + . 3 * .]"
1 60 GLU 6.455 0.866 22 5 "[* * . 1 .- 2 + . 3 * .]"
1 61 THR 6.296 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 62 GLU 3.132 0.357 11 0 "[ . 1 . 2 . 3 .]"
1 63 GLY 2.803 0.357 11 0 "[ . 1 . 2 . 3 .]"
1 64 LYS 7.154 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 65 ASP 1.645 0.410 20 0 "[ . 1 . 2 . 3 .]"
1 66 GLU 4.622 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 67 LYS 7.090 0.489 27 0 "[ . 1 . 2 . 3 .]"
1 68 ALA 4.430 0.544 35 1 "[ . 1 . 2 . 3 +]"
1 69 ASN 1.465 0.410 20 0 "[ . 1 . 2 . 3 .]"
1 70 THR 0.101 0.101 21 0 "[ . 1 . 2 . 3 .]"
1 71 THR 0.047 0.033 19 0 "[ . 1 . 2 . 3 .]"
1 72 GLY 0.047 0.033 19 0 "[ . 1 . 2 . 3 .]"
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 3 LYS H 1 3 LYS HB3 4.700 . 6.000 3.338 2.508 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 3 LYS HA 1 3 LYS HB3 3.000 . 4.100 2.297 2.140 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 3 LYS HA 1 4 LYS H 3.100 . 4.300 2.893 2.121 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 3 LYS HA 1 4 LYS H 2.400 . 3.100 2.152 1.856 2.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 3 LYS HA 1 4 LYS H 2.400 . 3.100 2.290 1.932 2.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 3 LYS HA 1 4 LYS H 2.700 . 3.600 2.108 1.812 2.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 3 LYS HB2 1 3 LYS QE 3.500 . 5.100 2.099 1.663 2.952 0.237 23 0 "[ . 1 . 2 . 3 .]" 1
8 1 3 LYS HB2 1 3 LYS QE 3.600 . 5.200 2.068 1.660 2.988 0.340 6 0 "[ . 1 . 2 . 3 .]" 1
9 1 3 LYS HB2 1 4 LYS H 3.000 . 4.100 2.712 1.843 3.085 0.057 20 0 "[ . 1 . 2 . 3 .]" 1
10 1 3 LYS HB3 1 4 LYS H 3.300 . 4.600 2.452 1.826 2.961 0.174 24 0 "[ . 1 . 2 . 3 .]" 1
11 1 3 LYS HB3 1 4 LYS H 3.200 . 4.500 2.403 1.822 2.883 0.078 24 0 "[ . 1 . 2 . 3 .]" 1
12 1 3 LYS QG 1 4 LYS H 3.100 . 4.300 2.691 2.009 3.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 4 LYS H 1 4 LYS QD 3.500 . 5.000 3.275 2.333 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 4 LYS H 1 4 LYS QD 3.300 . 4.600 3.334 2.338 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 4 LYS HA 1 4 LYS HG2 2.200 . 2.800 1.983 1.922 2.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 4 LYS HA 1 5 GLN H 2.700 . 3.600 2.518 2.096 3.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 4 LYS HA 1 5 GLN H 2.400 . 3.100 2.092 1.827 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
18 1 4 LYS QB 1 5 GLN H 3.700 . 5.400 3.322 1.886 3.994 0.114 28 0 "[ . 1 . 2 . 3 .]" 1
19 1 4 LYS QG 1 5 GLN H 4.600 . 6.000 3.947 2.238 4.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 5 GLN H 1 5 GLN HB3 3.600 . 5.200 3.269 2.393 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 5 GLN H 1 5 GLN QG 4.000 . 6.000 3.453 1.918 4.456 0.082 12 0 "[ . 1 . 2 . 3 .]" 1
22 1 5 GLN HA 1 5 GLN HB2 2.800 . 3.700 2.679 2.414 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 5 GLN HA 1 5 GLN HB2 2.900 . 3.900 2.225 2.000 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 5 GLN HA 1 6 GLN H 3.000 . 4.100 2.679 2.109 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 5 GLN HA 1 6 GLN HB2 2.900 . 4.000 4.044 3.802 4.577 0.577 19 1 "[ . 1 . +2 . 3 .]" 1
26 1 5 GLN HB2 1 7 THR H 3.200 . 4.500 4.027 2.466 4.542 0.042 35 0 "[ . 1 . 2 . 3 .]" 1
27 1 6 GLN H 1 6 GLN HB2 3.300 . 4.600 2.969 2.211 3.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 6 GLN H 1 6 GLN HB3 3.500 . 5.000 3.290 2.408 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 6 GLN H 1 6 GLN QG 4.000 . 6.000 3.318 1.977 4.221 0.023 27 0 "[ . 1 . 2 . 3 .]" 1
30 1 6 GLN H 1 7 THR H 4.100 . 6.000 3.501 1.994 4.518 0.006 18 0 "[ . 1 . 2 . 3 .]" 1
31 1 6 GLN HA 1 6 GLN HB2 3.000 . 4.100 2.753 2.409 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 6 GLN HA 1 6 GLN HB3 3.000 . 4.100 2.435 2.160 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 6 GLN HA 1 7 THR H 2.500 . 3.300 2.732 2.117 3.542 0.242 9 0 "[ . 1 . 2 . 3 .]" 1
34 1 6 GLN HA 1 7 THR H 2.700 . 3.600 2.332 2.018 2.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 6 GLN HB2 1 7 THR H 4.200 . 6.000 3.845 1.872 4.609 0.128 2 0 "[ . 1 . 2 . 3 .]" 1
36 1 6 GLN HB3 1 7 THR H 4.200 . 6.000 3.692 1.981 4.536 0.019 9 0 "[ . 1 . 2 . 3 .]" 1
37 1 6 GLN HB3 1 7 THR H 3.600 . 5.200 2.513 1.790 3.097 0.210 3 0 "[ . 1 . 2 . 3 .]" 1
38 1 6 GLN QG 1 7 THR H 4.700 . 6.000 3.875 2.203 4.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 7 THR H 1 7 THR HA 2.600 . 3.400 2.606 2.214 2.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 7 THR H 1 7 THR HB 3.400 . 4.900 3.352 2.551 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 7 THR H 1 7 THR MG 3.300 . 4.700 2.812 1.830 3.998 0.070 10 0 "[ . 1 . 2 . 3 .]" 1
42 1 7 THR H 1 8 GLU H 3.300 . 4.600 3.281 1.924 4.657 0.076 30 0 "[ . 1 . 2 . 3 .]" 1
43 1 7 THR HA 1 8 GLU H 2.600 . 3.500 2.827 2.064 3.594 0.094 10 0 "[ . 1 . 2 . 3 .]" 1
44 1 7 THR HB 1 7 THR MG 2.400 . 3.100 2.134 2.127 2.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 7 THR HB 1 8 GLU H 3.200 . 4.400 3.774 1.956 4.432 0.044 21 0 "[ . 1 . 2 . 3 .]" 1
46 1 7 THR HB 1 8 GLU H 2.700 . 3.600 2.511 1.846 2.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 7 THR HB 1 8 GLU QG 3.000 . 4.100 3.331 1.914 4.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 7 THR HB 1 8 GLU QG 3.100 . 4.300 3.661 3.134 4.433 0.133 9 0 "[ . 1 . 2 . 3 .]" 1
49 1 7 THR MG 1 8 GLU H 3.800 . 5.600 3.605 1.897 4.392 0.103 1 0 "[ . 1 . 2 . 3 .]" 1
50 1 8 GLU H 1 8 GLU HA 2.800 . 3.800 2.706 2.253 2.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 8 GLU H 1 8 GLU HA 3.300 . 4.600 2.343 1.967 2.741 0.033 19 0 "[ . 1 . 2 . 3 .]" 1
52 1 8 GLU H 1 8 GLU HB2 3.000 . 4.100 2.882 2.388 3.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 8 GLU H 1 8 GLU HB2 2.500 . 3.300 2.172 1.991 2.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
54 1 8 GLU H 1 8 GLU QG 3.900 . 5.800 3.676 2.023 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 8 GLU H 1 8 GLU QG 3.500 . 5.000 3.017 1.941 3.610 0.059 25 0 "[ . 1 . 2 . 3 .]" 1
56 1 8 GLU H 1 9 SER H 1.700 . 6.000 3.031 2.389 4.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 8 GLU HA 1 8 GLU HB2 2.900 . 4.000 2.453 2.374 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 8 GLU HA 1 8 GLU QG 3.300 . 4.700 2.877 2.060 3.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 8 GLU HA 1 9 SER H 2.600 . 3.500 3.403 2.499 3.561 0.061 27 0 "[ . 1 . 2 . 3 .]" 1
60 1 8 GLU HA 1 12 ASN QD 4.300 . 6.000 4.017 3.480 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 8 GLU HB3 1 9 SER H 3.400 . 4.800 2.932 2.188 4.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 8 GLU HB3 1 12 ASN QD 4.000 . 6.000 4.766 4.068 5.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 8 GLU QG 1 9 SER H 4.400 . 6.000 3.087 1.816 3.953 0.184 13 0 "[ . 1 . 2 . 3 .]" 1
64 1 8 GLU QG 1 12 ASN QD 3.800 . 5.600 3.364 2.173 5.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 8 GLU HG2 1 9 SER H 3.100 . 4.300 2.518 1.755 3.312 0.145 13 0 "[ . 1 . 2 . 3 .]" 1
66 1 8 GLU HG2 1 9 SER H 3.200 . 4.400 2.715 1.780 3.564 0.220 13 0 "[ . 1 . 2 . 3 .]" 1
67 1 9 SER H 1 9 SER HA 2.600 . 3.400 2.784 2.689 2.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 9 SER H 1 9 SER HB2 3.200 . 4.500 2.843 2.398 3.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 9 SER H 1 9 SER HB2 2.700 . 3.600 2.631 2.347 3.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 9 SER H 1 9 SER HB3 2.900 . 3.900 3.223 2.547 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 9 SER H 1 10 ALA H 3.300 . 4.600 2.819 2.656 3.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 9 SER H 1 12 ASN QB 4.000 . 6.000 5.572 4.841 6.017 0.017 2 0 "[ . 1 . 2 . 3 .]" 1
73 1 9 SER H 1 12 ASN QD 4.600 . 6.000 3.885 3.450 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 9 SER H 1 12 ASN QD 4.500 . 6.000 3.758 3.405 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 9 SER H 1 13 LYS QD 5.300 . 6.000 5.630 4.605 6.109 0.109 3 0 "[ . 1 . 2 . 3 .]" 1
76 1 9 SER HA 1 9 SER HB2 2.500 . 3.300 2.841 2.459 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 9 SER HA 1 9 SER HB3 2.200 . 2.800 2.484 2.332 3.029 0.229 10 0 "[ . 1 . 2 . 3 .]" 1
78 1 9 SER HA 1 9 SER HB3 2.400 . 3.100 2.109 2.002 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 9 SER HA 1 10 ALA H 2.700 . 3.600 3.550 3.459 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 9 SER HA 1 11 GLU H 3.200 . 4.500 4.507 4.259 4.639 0.139 27 0 "[ . 1 . 2 . 3 .]" 1
81 1 9 SER HA 1 12 ASN QB 4.200 . 6.000 4.303 2.567 4.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 9 SER HA 1 13 LYS QE 4.000 . 6.000 4.001 2.981 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 9 SER HB2 1 10 ALA H 3.000 . 4.100 2.851 2.152 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 9 SER HB2 1 10 ALA H 2.800 . 3.700 2.450 2.090 2.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 9 SER HB2 1 12 ASN QD 5.800 . 6.000 4.408 3.606 5.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 9 SER HB3 1 10 ALA H 3.700 . 5.400 3.568 2.191 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 9 SER HB3 1 11 GLU H 4.300 . 6.000 5.632 4.584 6.302 0.302 28 0 "[ . 1 . 2 . 3 .]" 1
88 1 9 SER HB3 1 12 ASN QD 5.800 . 6.000 4.020 3.463 4.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 10 ALA H 1 10 ALA MB 2.400 . 3.100 2.240 2.219 2.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 10 ALA H 1 11 GLU H 2.800 . 3.800 2.632 2.425 2.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 10 ALA H 1 11 GLU QB 5.100 . 6.000 4.465 4.189 5.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 10 ALA H 1 13 LYS QD 4.700 . 6.000 5.210 4.393 5.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 10 ALA H 1 46 LEU QD 4.700 . 6.000 4.721 4.062 5.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 10 ALA HA 1 10 ALA MB 2.200 . 2.800 2.128 2.120 2.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 10 ALA HA 1 10 ALA MB 2.300 . 2.900 2.063 1.996 2.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 10 ALA HA 1 11 GLU H 2.400 . 3.100 2.713 2.657 2.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 10 ALA HA 1 12 ASN H 2.800 . 3.800 3.481 3.428 3.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 10 ALA HA 1 13 LYS H 3.100 . 4.300 3.673 3.399 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 10 ALA HA 1 14 GLU QG 3.600 . 5.200 4.236 3.206 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 10 ALA HA 1 13 LYS H 3.000 . 4.100 3.903 3.530 4.195 0.095 28 0 "[ . 1 . 2 . 3 .]" 1
101 1 10 ALA HA 1 13 LYS HD3 2.800 . 3.800 2.434 1.795 3.616 0.005 28 0 "[ . 1 . 2 . 3 .]" 1
102 1 10 ALA MB 1 11 GLU H 2.800 . 3.800 2.561 2.308 2.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 10 ALA MB 1 11 GLU H 2.400 . 3.100 2.286 2.106 2.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 10 ALA MB 1 12 ASN H 3.600 . 5.200 3.412 2.919 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 10 ALA MB 1 12 ASN H 3.000 . 4.100 3.103 1.859 3.492 0.041 23 0 "[ . 1 . 2 . 3 .]" 1
106 1 10 ALA MB 1 14 GLU H 4.300 . 6.000 3.972 3.728 4.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 10 ALA MB 1 14 GLU H 3.000 . 4.100 3.218 1.964 3.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 10 ALA MB 1 14 GLU H 3.100 . 4.300 3.253 1.964 3.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 10 ALA MB 1 14 GLU QG 3.500 . 5.100 3.472 1.874 4.309 0.026 23 0 "[ . 1 . 2 . 3 .]" 1
110 1 11 GLU H 1 11 GLU QB 2.400 . 3.100 2.289 2.094 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 11 GLU H 1 11 GLU QG 3.600 . 5.300 3.459 2.025 4.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 11 GLU H 1 12 ASN H 2.700 . 3.600 2.769 2.421 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 11 GLU H 1 12 ASN QB 5.100 . 6.000 4.782 4.201 5.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 11 GLU H 1 13 LYS QD 5.000 . 6.000 5.684 5.243 6.137 0.137 13 0 "[ . 1 . 2 . 3 .]" 1
115 1 11 GLU H 1 46 LEU QD 4.700 . 6.000 4.968 4.436 5.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 11 GLU HA 1 11 GLU QB 2.500 . 3.300 2.377 2.313 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 11 GLU HA 1 11 GLU QG 3.000 . 4.100 2.650 2.305 3.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 11 GLU HA 1 12 ASN QB 4.100 . 6.000 5.332 5.222 5.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 11 GLU HA 1 14 GLU H 3.300 . 4.600 3.924 3.299 4.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 11 GLU HA 1 14 GLU QB 2.700 . 3.600 3.029 2.282 3.602 0.002 31 0 "[ . 1 . 2 . 3 .]" 1
121 1 11 GLU HA 1 15 LYS H 4.000 . 6.000 4.254 3.802 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 11 GLU QB 1 12 ASN H 2.600 . 3.500 2.159 1.784 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 11 GLU QG 1 12 ASN H 4.200 . 6.000 3.675 2.989 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 11 GLU HG2 1 14 GLU H 3.700 . 5.400 3.747 2.147 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 12 ASN H 1 12 ASN HA 2.600 . 3.500 2.847 2.807 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 12 ASN H 1 12 ASN QB 2.400 . 3.100 2.315 2.067 2.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 12 ASN H 1 12 ASN QD 3.200 . 4.500 2.252 1.767 3.246 0.133 7 0 "[ . 1 . 2 . 3 .]" 1
128 1 12 ASN H 1 13 LYS H 2.500 . 3.300 2.585 2.423 2.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 12 ASN H 1 13 LYS QD 5.100 . 6.000 4.556 4.072 5.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 12 ASN H 1 16 ILE MD 5.100 . 6.000 4.750 4.526 4.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 12 ASN HA 1 12 ASN QB 2.300 . 3.000 2.174 2.149 2.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 12 ASN HA 1 12 ASN QD 4.300 . 6.000 3.921 3.467 4.059 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 12 ASN HA 1 13 LYS H 2.700 . 3.600 3.517 3.415 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 12 ASN HA 1 14 GLU H 3.700 . 5.400 4.539 4.278 4.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 12 ASN HA 1 14 GLU QB 3.900 . 5.800 3.900 3.759 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 12 ASN HA 1 15 LYS H 3.100 . 4.300 3.275 2.827 3.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 12 ASN HA 1 15 LYS QB 2.800 . 3.800 2.359 1.793 2.617 0.007 13 0 "[ . 1 . 2 . 3 .]" 1
138 1 12 ASN HA 1 16 ILE HG13 2.600 . 3.500 2.454 2.334 2.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 12 ASN QB 1 12 ASN QD 2.600 . 3.400 2.235 2.162 2.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 12 ASN QB 1 13 LYS H 2.900 . 3.900 3.452 2.282 3.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 12 ASN HB2 1 14 GLU H 4.000 . 6.000 5.998 4.888 6.247 0.247 33 0 "[ . 1 . 2 . 3 .]" 1
142 1 12 ASN HB2 1 15 LYS H 4.800 . 6.000 5.277 4.874 5.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 12 ASN HB2 1 15 LYS H 3.700 . 5.400 4.367 4.118 4.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 12 ASN QD 1 13 LYS H 4.100 . 6.000 2.796 2.217 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 12 ASN QD 1 13 LYS HB3 4.800 . 6.000 4.896 4.460 6.050 0.050 7 0 "[ . 1 . 2 . 3 .]" 1
146 1 12 ASN QD 1 13 LYS QD 4.300 . 5.200 2.462 1.970 4.027 0.030 17 0 "[ . 1 . 2 . 3 .]" 1
147 1 12 ASN QD 1 13 LYS QG 5.800 . 6.000 4.356 3.924 5.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 12 ASN QD 1 13 LYS QG 3.100 . 4.300 2.519 1.883 3.672 0.017 3 0 "[ . 1 . 2 . 3 .]" 1
149 1 12 ASN QD 1 14 GLU QB 5.200 . 6.000 5.540 5.295 5.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 12 ASN QD 1 15 LYS QB 4.900 . 6.000 5.474 4.657 5.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 12 ASN QD 1 16 ILE MD 4.500 . 6.000 4.343 3.296 5.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 12 ASN QD 1 16 ILE MD 4.900 . 6.000 4.089 3.263 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 13 LYS H 1 13 LYS HA 2.800 . 3.700 2.834 2.784 2.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 13 LYS H 1 13 LYS HB2 2.300 . 3.000 2.131 2.044 2.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 13 LYS H 1 13 LYS HB2 2.400 . 3.100 2.032 1.964 2.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 13 LYS H 1 13 LYS HB2 2.400 . 3.100 2.013 1.924 2.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 13 LYS H 1 13 LYS HB3 3.500 . 5.100 3.360 3.075 3.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 13 LYS H 1 13 LYS HB3 3.400 . 4.800 3.256 3.044 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 13 LYS H 1 13 LYS QD 2.600 . 3.400 2.825 2.186 3.436 0.036 13 0 "[ . 1 . 2 . 3 .]" 1
160 1 13 LYS H 1 13 LYS QE 5.100 . 6.000 4.709 2.902 5.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 13 LYS H 1 13 LYS QG 3.800 . 5.600 3.795 3.474 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 13 LYS H 1 13 LYS QG 2.800 . 3.800 2.195 1.776 2.521 0.024 1 0 "[ . 1 . 2 . 3 .]" 1
163 1 13 LYS H 1 14 GLU H 3.000 . 4.100 2.630 2.486 2.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 13 LYS H 1 14 GLU QB 4.200 . 6.000 4.318 4.135 4.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 13 LYS H 1 14 GLU QB 3.900 . 5.800 4.001 3.673 4.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 13 LYS H 1 14 GLU QG 4.800 . 6.000 5.630 4.550 6.147 0.147 7 0 "[ . 1 . 2 . 3 .]" 1
167 1 13 LYS H 1 15 LYS H 4.000 . 6.000 3.919 3.582 4.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 13 LYS H 1 16 ILE H 4.800 . 6.000 4.507 4.343 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 13 LYS H 1 16 ILE MD 4.200 . 6.000 3.610 3.273 3.956 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 13 LYS HA 1 13 LYS HB2 2.900 . 3.900 2.900 2.760 2.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 13 LYS HA 1 13 LYS HB3 2.500 . 3.300 2.788 2.647 2.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 13 LYS HA 1 13 LYS QD 2.600 . 3.400 2.267 1.901 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 13 LYS HA 1 13 LYS QG 2.300 . 3.000 2.416 2.249 2.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 13 LYS HA 1 16 ILE H 3.000 . 4.100 3.062 2.892 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 13 LYS HA 1 16 ILE H 2.800 . 3.800 3.371 3.076 3.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 13 LYS HA 1 16 ILE MD 2.600 . 3.400 2.475 1.904 3.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 13 LYS HA 1 16 ILE MG 3.700 . 5.400 4.182 3.918 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 13 LYS HA 1 17 CYS H 3.700 . 5.400 4.223 3.831 4.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 13 LYS HB2 1 14 GLU H 2.800 . 3.800 2.889 2.645 3.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 13 LYS HB2 1 14 GLU H 2.800 . 3.800 2.420 1.841 2.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 13 LYS HB2 1 46 LEU QD 3.100 . 4.300 2.318 1.825 2.721 0.075 17 0 "[ . 1 . 2 . 3 .]" 1
182 1 13 LYS HB2 1 46 LEU QD 2.900 . 4.000 2.568 1.840 3.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 13 LYS HB3 1 46 LEU H 3.500 . 6.000 5.810 4.956 6.090 0.090 33 0 "[ . 1 . 2 . 3 .]" 1
184 1 13 LYS HB3 1 46 LEU QD 2.400 . 2.800 1.764 1.562 2.595 0.138 34 0 "[ . 1 . 2 . 3 .]" 1
185 1 13 LYS QD 1 14 GLU H 4.000 . 6.000 4.506 4.220 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 13 LYS HD2 1 34 GLY H 4.400 . 6.000 5.606 4.327 6.674 0.674 28 1 "[ . 1 . 2 . + 3 .]" 1
187 1 13 LYS QE 1 16 ILE MD 2.700 . 3.600 2.745 1.737 3.287 0.063 29 0 "[ . 1 . 2 . 3 .]" 1
188 1 13 LYS QE 1 16 ILE MD 2.700 . 3.600 2.899 2.133 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 13 LYS QE 1 46 LEU QD 2.800 . 3.800 2.818 1.747 3.405 0.053 29 0 "[ . 1 . 2 . 3 .]" 1
190 1 13 LYS QE 1 46 LEU QD 2.800 . 3.800 3.065 1.764 3.570 0.036 29 0 "[ . 1 . 2 . 3 .]" 1
191 1 13 LYS QG 1 17 CYS H 4.400 . 6.000 5.330 4.782 5.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 13 LYS QG 1 46 LEU QD 2.300 . 3.000 2.095 1.843 2.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 13 LYS QG 1 46 LEU QD 2.800 . 3.800 2.436 2.000 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 13 LYS HG3 1 16 ILE HG12 2.700 . 6.000 5.655 5.130 6.302 0.302 10 0 "[ . 1 . 2 . 3 .]" 1
195 1 14 GLU H 1 14 GLU HA 2.500 . 3.300 2.789 2.758 2.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 14 GLU H 1 14 GLU QB 2.100 . 2.600 2.223 2.109 2.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 14 GLU H 1 14 GLU QG 3.400 . 4.900 3.414 2.392 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 14 GLU H 1 14 GLU QG 3.100 . 4.300 2.702 1.970 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 14 GLU H 1 15 LYS H 2.400 . 3.100 2.710 2.475 2.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 14 GLU H 1 15 LYS HA 3.400 . 4.900 4.257 2.849 5.006 0.106 10 0 "[ . 1 . 2 . 3 .]" 1
201 1 14 GLU H 1 15 LYS QB 3.600 . 5.200 4.411 4.206 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 14 GLU H 1 16 ILE H 3.600 . 5.200 4.159 3.857 4.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 14 GLU H 1 17 CYS H 4.700 . 6.000 4.827 4.568 4.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 14 GLU H 1 46 LEU QD 3.000 . 4.100 2.737 2.324 3.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 14 GLU H 1 46 LEU HG 4.900 . 6.000 5.352 3.196 6.076 0.076 9 0 "[ . 1 . 2 . 3 .]" 1
206 1 14 GLU HA 1 14 GLU QB 2.400 . 3.100 2.406 2.320 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 14 GLU HA 1 14 GLU QG 2.600 . 3.500 2.421 2.211 2.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 14 GLU HA 1 15 LYS H 3.100 . 4.300 3.528 3.481 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 14 GLU HA 1 17 CYS H 3.100 . 4.300 3.504 3.183 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 14 GLU HA 1 17 CYS HB2 3.000 . 4.100 2.868 2.253 3.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 14 GLU HA 1 17 CYS HB3 4.100 . 6.000 4.363 2.726 4.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 14 GLU HA 1 46 LEU H 3.000 . 4.100 3.299 2.673 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 14 GLU HA 1 46 LEU HB2 2.800 . 3.800 2.434 1.832 3.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 14 GLU HA 1 46 LEU HB3 3.500 . 5.000 3.517 2.289 5.042 0.042 18 0 "[ . 1 . 2 . 3 .]" 1
215 1 14 GLU HA 1 46 LEU QD 3.100 . 4.300 3.200 2.773 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 14 GLU HA 1 46 LEU HG 3.900 . 5.800 4.866 2.321 5.831 0.031 8 0 "[ . 1 . 2 . 3 .]" 1
217 1 14 GLU QB 1 46 LEU H 3.500 . 5.100 3.919 3.489 4.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 14 GLU QB 1 15 LYS H 2.500 . 3.300 2.551 2.308 2.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 14 GLU QB 1 18 ASN H 3.700 . 5.400 4.345 4.009 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 14 GLU QB 1 18 ASN H 3.600 . 5.200 4.041 3.547 4.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 14 GLU QB 1 18 ASN HD21 4.200 . 6.000 5.095 3.614 6.093 0.093 14 0 "[ . 1 . 2 . 3 .]" 1
222 1 14 GLU QB 1 18 ASN HD22 3.300 . 6.000 4.559 3.189 5.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 14 GLU QG 1 15 LYS H 3.400 . 4.900 3.897 3.450 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 14 GLU QG 1 15 LYS HA 3.400 . 4.900 3.224 2.249 4.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 14 GLU QG 1 18 ASN H 4.300 . 6.000 4.622 3.744 5.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 14 GLU QG 1 18 ASN HD21 3.900 . 5.800 4.253 3.006 5.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 14 GLU QG 1 18 ASN HD22 3.000 . 4.100 3.501 2.661 4.190 0.090 22 0 "[ . 1 . 2 . 3 .]" 1
228 1 14 GLU QG 1 46 LEU H 3.300 . 4.700 3.148 2.010 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 14 GLU QG 1 46 LEU QD 3.100 . 4.300 3.199 1.850 4.192 0.050 27 0 "[ . 1 . 2 . 3 .]" 1
230 1 14 GLU HG2 1 15 LYS HA 3.200 . 4.400 3.261 2.252 4.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 14 GLU HG3 1 46 LEU QD 2.700 . 6.000 3.423 1.866 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 15 LYS H 1 15 LYS HA 2.500 . 3.300 2.805 2.748 2.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 15 LYS H 1 15 LYS QB 2.200 . 2.800 2.189 2.052 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 15 LYS H 1 15 LYS QD 3.400 . 4.800 4.148 3.333 4.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 15 LYS H 1 15 LYS QG 4.000 . 6.000 3.903 2.713 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 15 LYS H 1 15 LYS QG 3.800 . 5.600 3.664 2.695 3.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 15 LYS H 1 15 LYS QG 3.300 . 4.700 2.679 1.987 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 15 LYS H 1 16 ILE H 2.300 . 3.000 2.689 2.494 2.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 15 LYS H 1 16 ILE HA 4.100 . 6.000 5.295 5.123 5.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 15 LYS H 1 16 ILE MD 4.500 . 6.000 4.460 4.159 4.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 15 LYS H 1 18 ASN H 4.400 . 6.000 4.539 4.458 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 15 LYS HA 1 15 LYS QB 2.400 . 3.100 2.399 2.274 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 15 LYS HA 1 15 LYS QD 2.900 . 3.900 2.518 1.778 3.661 0.122 7 0 "[ . 1 . 2 . 3 .]" 1
244 1 15 LYS HA 1 15 LYS QD 3.100 . 4.300 2.183 1.643 3.380 0.257 20 0 "[ . 1 . 2 . 3 .]" 1
245 1 15 LYS HA 1 15 LYS QG 2.800 . 3.800 2.652 2.340 3.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 15 LYS HA 1 16 ILE H 3.300 . 4.600 3.404 3.308 3.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 15 LYS HA 1 18 ASN H 2.800 . 3.800 3.308 2.999 3.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 15 LYS HA 1 18 ASN QB 2.400 . 3.100 2.413 1.952 2.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 15 LYS HA 1 18 ASN HD21 4.100 . 6.000 4.467 4.052 4.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 15 LYS HA 1 18 ASN HD22 3.300 . 6.000 5.398 4.766 6.047 0.047 25 0 "[ . 1 . 2 . 3 .]" 1
251 1 15 LYS HA 1 19 ALA H 3.500 . 5.000 4.080 3.464 4.344 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 15 LYS QB 1 16 ILE H 2.600 . 3.500 2.637 2.278 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 15 LYS QB 1 18 ASN H 3.400 . 4.800 4.851 4.737 4.942 0.142 14 0 "[ . 1 . 2 . 3 .]" 1
254 1 15 LYS QB 1 19 ALA H 3.600 . 5.200 5.197 4.460 5.331 0.131 24 0 "[ . 1 . 2 . 3 .]" 1
255 1 15 LYS HB3 1 17 CYS H 4.100 . 6.000 5.085 4.776 5.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 15 LYS QD 1 16 ILE MG 3.000 . 4.100 3.196 1.894 4.808 0.708 4 3 "[ +. 1 . 2 . *3- .]" 1
257 1 15 LYS QD 1 19 ALA H 3.200 . 4.500 4.166 3.567 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 15 LYS QG 1 16 ILE H 4.600 . 6.000 4.106 3.583 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 15 LYS QG 1 16 ILE H 3.900 . 5.800 3.272 2.858 3.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 15 LYS QG 1 19 ALA H 3.500 . 5.100 3.979 3.775 4.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 16 ILE H 1 16 ILE HA 2.500 . 3.300 2.834 2.802 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 16 ILE H 1 16 ILE HA 2.600 . 3.500 2.723 2.699 2.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 16 ILE H 1 16 ILE HB 2.300 . 2.900 2.447 2.319 2.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 16 ILE H 1 16 ILE HB 2.500 . 3.300 2.219 2.174 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 16 ILE H 1 16 ILE MD 3.600 . 5.200 3.603 3.328 3.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 16 ILE H 1 16 ILE HG12 3.700 . 5.400 3.562 3.359 3.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 16 ILE H 1 16 ILE HG13 2.300 . 3.000 2.288 2.066 2.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 16 ILE H 1 16 ILE MG 3.500 . 5.000 3.755 3.701 3.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 16 ILE H 1 17 CYS HB3 5.400 . 6.000 6.053 4.980 6.113 0.113 19 0 "[ . 1 . 2 . 3 .]" 1
270 1 16 ILE H 1 18 ASN H 4.100 . 6.000 3.919 3.710 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 16 ILE HA 1 16 ILE HB 2.800 . 3.800 3.025 3.012 3.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 16 ILE HA 1 16 ILE MD 3.500 . 5.000 3.822 3.772 3.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 16 ILE HA 1 16 ILE HG12 2.600 . 3.500 2.506 2.431 2.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 16 ILE HA 1 16 ILE HG13 2.800 . 3.800 2.913 2.762 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 16 ILE HA 1 16 ILE MG 2.400 . 3.100 2.475 2.362 2.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 16 ILE HA 1 17 CYS H 2.700 . 3.600 3.524 3.497 3.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 16 ILE HA 1 18 ASN H 4.400 . 6.000 4.413 4.241 4.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 16 ILE HA 1 19 ALA H 3.200 . 4.400 3.472 3.195 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 16 ILE HA 1 19 ALA MB 2.700 . 3.600 2.703 2.340 3.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 16 ILE HB 1 16 ILE MD 2.600 . 3.400 2.412 2.329 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 16 ILE HB 1 17 CYS H 2.500 . 3.300 2.547 2.440 2.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 16 ILE HB 1 19 ALA H 3.600 . 6.000 5.418 5.277 5.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 16 ILE MD 1 16 ILE HG12 2.300 . 2.900 2.118 2.114 2.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 16 ILE MD 1 16 ILE HG13 2.100 . 2.600 1.734 1.696 1.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 16 ILE MD 1 33 LYS HB3 3.100 . 4.300 3.490 2.654 4.317 0.017 11 0 "[ . 1 . 2 . 3 .]" 1
286 1 16 ILE HG12 1 16 ILE MG 2.600 . 3.400 2.369 2.287 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 16 ILE HG12 1 17 CYS H 3.400 . 6.000 4.960 4.894 5.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 16 ILE HG13 1 16 ILE MG 2.400 . 3.100 2.111 2.075 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 16 ILE HG13 1 17 CYS H 4.100 . 6.000 4.269 4.131 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 16 ILE HG13 1 18 ASN H 3.900 . 6.000 5.971 5.839 6.043 0.043 35 0 "[ . 1 . 2 . 3 .]" 1
291 1 16 ILE MG 1 17 CYS H 3.000 . 4.100 3.261 3.027 3.485 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 16 ILE MG 1 18 ASN H 4.400 . 6.000 4.956 4.764 5.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 16 ILE MG 1 19 ALA H 4.000 . 6.000 4.047 3.691 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 16 ILE MG 1 30 LEU QD 2.300 . 2.900 2.082 1.561 2.624 0.139 30 0 "[ . 1 . 2 . 3 .]" 1
295 1 16 ILE MG 1 33 LYS H 4.400 . 6.000 4.925 4.162 5.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 16 ILE MG 1 33 LYS HB3 2.700 . 6.000 3.602 2.584 4.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 16 ILE MG 1 33 LYS HD2 3.300 . 4.700 3.069 1.893 4.828 0.128 8 0 "[ . 1 . 2 . 3 .]" 1
298 1 17 CYS H 1 17 CYS HA 2.600 . 3.400 2.818 2.789 2.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 17 CYS H 1 17 CYS HB2 2.600 . 3.400 2.562 2.357 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 17 CYS H 1 17 CYS HB3 3.200 . 4.400 3.537 2.604 3.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 17 CYS H 1 18 ASN H 2.400 . 3.100 2.637 2.540 2.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 17 CYS H 1 18 ASN QB 4.700 . 6.000 4.601 4.391 4.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 17 CYS H 1 30 LEU QD 2.900 . 6.000 4.163 3.795 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 17 CYS H 1 35 CYS HB2 5.100 . 6.000 5.602 4.417 6.052 0.052 31 0 "[ . 1 . 2 . 3 .]" 1
305 1 17 CYS H 1 46 LEU H 5.100 . 6.000 5.523 4.840 6.061 0.061 18 0 "[ . 1 . 2 . 3 .]" 1
306 1 17 CYS HA 1 17 CYS HB2 2.800 . 3.800 3.009 2.529 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 17 CYS HA 1 17 CYS HB3 2.300 . 2.900 2.274 2.161 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 17 CYS HA 1 18 ASN H 2.400 . 3.100 2.743 2.719 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 17 CYS HA 1 19 ALA H 3.100 . 4.300 4.079 3.835 4.313 0.013 7 0 "[ . 1 . 2 . 3 .]" 1
310 1 17 CYS HA 1 20 ALA H 3.200 . 4.500 3.728 3.345 4.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 17 CYS HA 1 20 ALA MB 3.100 . 4.300 3.053 2.097 3.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 17 CYS HA 1 35 CYS H 4.300 . 6.000 4.750 4.283 5.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 17 CYS HB2 1 18 ASN H 2.600 . 3.500 2.631 2.515 3.661 0.161 27 0 "[ . 1 . 2 . 3 .]" 1
314 1 17 CYS HB2 1 45 GLU HA 2.500 . 3.300 2.263 1.973 2.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 17 CYS HB2 1 45 GLU HA 2.700 . 3.600 2.563 2.048 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 17 CYS HB2 1 36 VAL H 4.600 . 6.000 5.429 4.490 6.006 0.006 30 0 "[ . 1 . 2 . 3 .]" 1
317 1 17 CYS HB2 1 46 LEU H 3.500 . 5.000 3.395 2.757 4.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 17 CYS HB3 1 18 ASN H 3.100 . 4.300 3.717 2.412 3.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 17 CYS HB3 1 18 ASN HD21 4.300 . 6.000 3.799 2.487 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 17 CYS HB3 1 18 ASN HD22 5.300 . 6.000 4.767 3.790 5.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 17 CYS HB3 1 19 ALA H 4.800 . 6.000 5.382 4.683 5.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 17 CYS HB3 1 36 VAL H 4.800 . 6.000 4.220 3.704 5.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 17 CYS HB3 1 45 GLU H 4.200 . 6.000 3.663 3.267 5.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 17 CYS HB3 1 45 GLU HA 3.000 . 4.100 2.881 2.245 3.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 17 CYS HB3 1 46 LEU H 3.600 . 5.200 3.826 3.070 4.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 18 ASN H 1 18 ASN QB 2.300 . 3.000 2.327 2.165 2.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 18 ASN H 1 18 ASN HD21 3.000 . 4.100 2.695 2.153 3.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 18 ASN H 1 18 ASN HD22 4.200 . 6.000 3.934 3.597 4.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 18 ASN H 1 19 ALA H 2.400 . 3.100 2.524 2.394 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 18 ASN H 1 19 ALA HA 5.100 . 6.000 5.130 5.012 5.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 18 ASN H 1 19 ALA MB 4.000 . 6.000 4.219 4.114 4.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 18 ASN H 1 20 ALA H 4.300 . 6.000 4.084 3.835 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 18 ASN HA 1 18 ASN QB 2.200 . 2.800 2.430 2.339 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 18 ASN HA 1 18 ASN HD21 2.100 . 2.600 2.104 1.740 2.818 0.218 23 0 "[ . 1 . 2 . 3 .]" 1
335 1 18 ASN HA 1 18 ASN HD22 4.400 . 6.000 3.482 3.277 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 18 ASN HA 1 19 ALA H 2.600 . 3.500 2.886 2.806 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 18 ASN HA 1 21 LYS H 3.000 . 4.200 3.078 2.626 3.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 18 ASN QB 1 18 ASN HD21 3.000 . 4.100 2.808 2.411 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 18 ASN QB 1 19 ALA H 2.700 . 3.600 3.002 2.785 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 18 ASN QB 1 19 ALA HA 3.500 . 5.000 4.037 3.938 4.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 18 ASN HB2 1 19 ALA MB 2.800 . 3.800 2.398 2.307 2.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 18 ASN HD21 1 19 ALA MB 4.300 . 6.000 4.638 3.506 5.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 18 ASN HD21 1 43 LYS QG 4.200 . 6.000 5.033 3.151 6.039 0.039 4 0 "[ . 1 . 2 . 3 .]" 1
344 1 18 ASN HD21 1 45 GLU HA 3.100 . 4.300 3.174 2.561 4.345 0.045 30 0 "[ . 1 . 2 . 3 .]" 1
345 1 18 ASN HD21 1 45 GLU QG 4.100 . 6.000 4.403 2.591 6.012 0.012 12 0 "[ . 1 . 2 . 3 .]" 1
346 1 18 ASN HD21 1 46 LEU H 4.800 . 6.000 4.623 3.862 5.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 18 ASN HD22 1 19 ALA MB 3.600 . 6.000 5.052 3.722 5.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 18 ASN HD22 1 45 GLU HA 3.100 . 4.300 3.148 2.507 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 18 ASN HD22 1 45 GLU QG 4.100 . 6.000 3.621 1.988 5.758 0.012 32 0 "[ . 1 . 2 . 3 .]" 1
350 1 18 ASN HD22 1 46 LEU H 3.400 . 4.900 4.210 3.451 4.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 19 ALA H 1 19 ALA HA 2.500 . 3.300 2.838 2.801 2.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 19 ALA H 1 19 ALA MB 2.000 . 2.500 2.246 2.223 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 19 ALA H 1 20 ALA H 2.400 . 3.100 2.575 2.400 2.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 19 ALA H 1 20 ALA MB 3.500 . 5.000 4.157 3.915 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 19 ALA H 1 21 LYS H 4.300 . 6.000 3.978 3.594 4.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 19 ALA HA 1 19 ALA MB 2.200 . 2.800 2.128 2.122 2.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 19 ALA HA 1 20 ALA H 3.100 . 4.300 3.417 3.283 3.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 19 ALA MB 1 20 ALA H 2.900 . 3.900 2.989 2.753 3.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 19 ALA MB 1 21 LYS H 3.100 . 4.300 3.365 2.626 3.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 19 ALA MB 1 30 LEU QD 3.200 . 4.500 3.497 2.797 4.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 20 ALA H 1 20 ALA HA 2.800 . 3.700 2.905 2.878 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 20 ALA H 1 20 ALA MB 2.400 . 3.100 2.293 2.263 2.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 20 ALA H 1 21 LYS H 2.400 . 3.100 2.202 2.064 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 20 ALA H 1 21 LYS HA 4.600 . 6.000 4.416 4.258 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 20 ALA H 1 21 LYS HB2 5.100 . 6.000 5.253 4.907 6.109 0.109 11 0 "[ . 1 . 2 . 3 .]" 1
366 1 20 ALA H 1 21 LYS HB3 5.700 . 6.000 6.055 5.146 6.142 0.142 35 0 "[ . 1 . 2 . 3 .]" 1
367 1 20 ALA H 1 30 LEU QD 3.400 . 4.900 3.681 3.023 4.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 20 ALA H 1 44 CYS HB2 4.100 . 6.000 4.948 3.817 5.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 20 ALA H 1 44 CYS HB3 3.700 . 5.400 4.078 3.490 5.664 0.264 16 0 "[ . 1 . 2 . 3 .]" 1
370 1 20 ALA HA 1 21 LYS H 3.200 . 4.500 3.414 3.196 3.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 20 ALA HA 1 23 ASN H 4.600 . 6.000 4.607 4.112 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 20 ALA HA 1 30 LEU QD 3.000 . 4.100 2.753 2.156 3.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 20 ALA MB 1 21 LYS HE2 3.200 . 4.500 3.941 3.487 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 20 ALA MB 1 37 PHE H 3.800 . 5.600 5.319 5.005 5.689 0.089 30 0 "[ . 1 . 2 . 3 .]" 1
375 1 20 ALA MB 1 37 PHE H 3.400 . 4.800 4.766 4.151 4.939 0.139 7 0 "[ . 1 . 2 . 3 .]" 1
376 1 20 ALA MB 1 21 LYS H 2.900 . 4.000 2.839 2.447 3.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 20 ALA MB 1 44 CYS HB3 2.400 . 3.100 2.120 1.801 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 20 ALA MB 1 37 PHE QD 2.700 . 3.600 2.381 1.955 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 20 ALA MB 1 37 PHE QE 2.500 . 3.300 2.700 2.059 3.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 20 ALA MB 1 37 PHE HZ 3.600 . 5.200 4.439 4.039 4.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 20 ALA MB 1 27 CYS HB2 2.900 . 4.000 2.881 2.137 4.035 0.035 4 0 "[ . 1 . 2 . 3 .]" 1
382 1 20 ALA MB 1 28 GLU H 3.800 . 5.600 4.252 4.047 4.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 20 ALA MB 1 30 LEU QD 2.300 . 3.000 2.050 1.547 2.699 0.353 18 0 "[ . 1 . 2 . 3 .]" 1
384 1 20 ALA MB 1 35 CYS H 4.000 . 6.000 5.110 3.065 5.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 20 ALA MB 1 37 PHE H 3.900 . 5.800 4.926 3.979 5.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 20 ALA MB 1 37 PHE QD 2.300 . 3.000 2.450 1.974 3.087 0.087 12 0 "[ . 1 . 2 . 3 .]" 1
387 1 20 ALA MB 1 44 CYS H 3.100 . 4.300 4.104 3.603 4.409 0.109 16 0 "[ . 1 . 2 . 3 .]" 1
388 1 20 ALA MB 1 44 CYS HB2 2.800 . 3.800 2.836 2.398 3.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 21 LYS H 1 21 LYS HA 2.300 . 2.900 2.254 2.243 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 21 LYS H 1 21 LYS HB2 3.200 . 4.500 3.533 3.275 3.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 21 LYS H 1 21 LYS HB3 3.800 . 5.600 4.010 3.047 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 21 LYS H 1 21 LYS QD 4.900 . 6.000 4.638 3.374 4.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 21 LYS H 1 21 LYS QE 5.200 . 6.000 4.983 4.119 5.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 21 LYS H 1 21 LYS HG2 3.000 . 4.100 3.490 2.644 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 21 LYS H 1 21 LYS HG3 3.000 . 4.100 2.965 2.709 4.208 0.108 9 0 "[ . 1 . 2 . 3 .]" 1
396 1 21 LYS H 1 22 ASP H 4.500 . 6.000 4.411 4.056 4.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 21 LYS H 1 30 LEU QD 5.200 . 6.000 5.032 4.459 5.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 21 LYS H 1 44 CYS HB2 4.200 . 6.000 4.480 3.057 5.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 21 LYS H 1 44 CYS HB3 3.700 . 5.400 3.804 2.996 5.693 0.293 27 0 "[ . 1 . 2 . 3 .]" 1
400 1 21 LYS HA 1 21 LYS HG2 2.800 . 3.700 2.588 2.324 3.711 0.011 11 0 "[ . 1 . 2 . 3 .]" 1
401 1 21 LYS HA 1 21 LYS HG3 3.300 . 4.700 3.086 2.743 3.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 21 LYS HA 1 22 ASP H 2.900 . 3.900 3.292 2.909 3.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 21 LYS HA 1 23 ASN H 4.300 . 6.000 4.523 4.107 4.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 21 LYS HA 1 44 CYS H 2.900 . 3.900 3.707 2.412 4.005 0.105 15 0 "[ . 1 . 2 . 3 .]" 1
405 1 21 LYS HB2 1 22 ASP H 2.600 . 3.500 2.058 1.590 2.636 0.110 11 0 "[ . 1 . 2 . 3 .]" 1
406 1 21 LYS HB2 1 23 ASN H 3.000 . 4.100 3.148 2.417 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 21 LYS HB3 1 22 ASP H 2.100 . 2.600 2.098 1.579 3.226 0.626 11 1 "[ . 1+ . 2 . 3 .]" 1
408 1 21 LYS HB3 1 23 ASN H 3.800 . 5.700 4.076 3.162 4.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 21 LYS HB3 1 23 ASN H 3.400 . 4.900 2.851 1.712 3.625 0.188 15 0 "[ . 1 . 2 . 3 .]" 1
410 1 21 LYS QD 1 22 ASP H 5.100 . 6.000 3.910 3.302 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 21 LYS QE 1 22 ASP H 4.000 . 6.000 4.520 3.033 5.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 21 LYS HG2 1 22 ASP H 4.100 . 6.000 4.257 3.916 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 21 LYS HG3 1 22 ASP H 4.700 . 6.000 4.203 2.807 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 21 LYS HG3 1 23 ASN H 3.900 . 5.800 5.128 1.723 5.831 0.277 11 0 "[ . 1 . 2 . 3 .]" 1
415 1 22 ASP H 1 22 ASP HA 2.700 . 3.600 2.917 2.853 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 22 ASP H 1 22 ASP HB2 3.400 . 4.800 3.214 2.377 3.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 22 ASP H 1 22 ASP HB3 3.100 . 4.300 3.157 2.426 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 22 ASP H 1 23 ASN H 2.600 . 3.400 2.336 1.952 2.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 22 ASP H 1 23 ASN HA 5.100 . 6.000 4.731 4.349 5.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 22 ASP H 1 23 ASN HB2 5.000 . 6.000 4.305 3.827 4.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 22 ASP H 1 37 PHE QE 4.600 . 6.000 4.674 4.311 5.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 22 ASP H 1 37 PHE HZ 5.200 . 6.000 5.872 5.208 6.073 0.073 20 0 "[ . 1 . 2 . 3 .]" 1
423 1 22 ASP H 1 43 LYS HA 4.300 . 6.000 4.638 3.683 5.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 22 ASP HA 1 22 ASP HB2 2.700 . 3.600 2.666 2.398 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 22 ASP HA 1 22 ASP HB3 2.600 . 3.400 2.493 2.352 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 22 ASP HA 1 23 ASN H 3.000 . 4.100 3.229 3.023 3.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 22 ASP HA 1 37 PHE QD 3.500 . 5.000 4.528 3.912 5.002 0.002 26 0 "[ . 1 . 2 . 3 .]" 1
428 1 22 ASP HA 1 37 PHE QE 2.200 . 2.800 2.468 1.777 2.827 0.027 19 0 "[ . 1 . 2 . 3 .]" 1
429 1 22 ASP HA 1 37 PHE HZ 2.600 . 3.500 3.156 2.404 3.524 0.024 15 0 "[ . 1 . 2 . 3 .]" 1
430 1 22 ASP HA 1 42 ASN HD21 4.500 . 6.000 4.592 3.447 6.053 0.053 18 0 "[ . 1 . 2 . 3 .]" 1
431 1 22 ASP HA 1 42 ASN HD22 3.900 . 5.800 4.699 3.045 5.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 22 ASP HA 1 43 LYS H 4.600 . 6.000 4.850 3.872 5.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 22 ASP HA 1 44 CYS H 3.200 . 4.500 3.536 2.702 4.514 0.014 26 0 "[ . 1 . 2 . 3 .]" 1
434 1 22 ASP HB2 1 23 ASN H 4.200 . 6.000 4.039 3.101 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 22 ASP HB2 1 37 PHE QE 3.800 . 5.600 4.311 3.405 5.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 22 ASP HB2 1 37 PHE HZ 3.700 . 5.400 4.124 2.942 5.447 0.047 29 0 "[ . 1 . 2 . 3 .]" 1
437 1 22 ASP HB3 1 37 PHE QE 3.600 . 5.200 4.161 3.842 4.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 22 ASP HB3 1 37 PHE HZ 3.700 . 5.400 4.327 3.623 5.429 0.029 21 0 "[ . 1 . 2 . 3 .]" 1
439 1 22 ASP HB3 1 42 ASN HD21 3.900 . 5.800 4.051 2.541 6.510 0.710 3 2 "[ + . 1 . 2 . 3 -.]" 1
440 1 22 ASP HB3 1 42 ASN HD22 3.500 . 5.000 3.979 2.612 5.960 0.960 20 2 "[ - . 1 . + . 3 .]" 1
441 1 23 ASN H 1 23 ASN HA 2.600 . 3.500 2.893 2.855 2.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 23 ASN H 1 23 ASN HB2 2.400 . 3.100 2.553 2.291 2.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 23 ASN H 1 23 ASN HB3 3.100 . 4.300 2.887 2.491 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 23 ASN H 1 23 ASN HD21 4.200 . 6.000 4.682 4.013 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 23 ASN H 1 23 ASN HD22 5.000 . 6.000 5.584 4.597 5.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 23 ASN H 1 37 PHE QE 3.000 . 4.100 3.684 3.266 4.118 0.018 7 0 "[ . 1 . 2 . 3 .]" 1
447 1 23 ASN HA 1 23 ASN HD21 3.700 . 5.400 3.573 1.846 4.501 0.154 20 0 "[ . 1 . 2 . 3 .]" 1
448 1 23 ASN HA 1 23 ASN HD22 4.000 . 6.000 4.186 3.471 4.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 23 ASN HA 1 23 ASN HD22 4.200 . 6.000 3.815 3.361 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 23 ASN HA 1 24 GLN H 2.100 . 2.600 2.162 2.101 2.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 23 ASN HA 1 24 GLN HA 3.900 . 5.800 4.418 4.356 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 23 ASN HA 1 24 GLN HB2 3.600 . 5.200 3.551 3.397 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 23 ASN HA 1 24 GLN HB3 3.400 . 4.800 3.615 3.474 3.798 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 23 ASN HA 1 24 GLN QG 4.000 . 6.000 4.630 4.280 5.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 23 ASN HA 1 25 LYS H 3.900 . 5.800 3.770 3.438 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 23 ASN HA 1 26 ALA H 4.400 . 6.000 4.378 4.106 4.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 23 ASN HA 1 27 CYS H 5.000 . 6.000 5.260 4.875 5.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 23 ASN HA 1 37 PHE QE 3.500 . 5.000 3.803 3.419 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 23 ASN HB2 1 23 ASN HD21 3.100 . 4.300 2.672 2.193 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 23 ASN HB2 1 23 ASN HD22 4.100 . 6.000 3.680 3.466 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 23 ASN HB2 1 24 GLN H 4.400 . 6.000 4.488 4.379 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 23 ASN HB2 1 25 LYS H 5.400 . 6.000 5.203 4.771 5.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 23 ASN HB2 1 26 ALA H 4.000 . 6.000 4.277 3.349 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 23 ASN HB2 1 26 ALA MB 2.800 . 3.800 3.303 2.124 3.893 0.093 4 0 "[ . 1 . 2 . 3 .]" 1
465 1 23 ASN HB2 1 27 CYS H 4.500 . 6.000 5.215 3.641 5.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 23 ASN HB3 1 25 LYS H 3.400 . 4.800 3.586 3.140 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 23 ASN HB3 1 23 ASN HD21 2.600 . 3.500 2.754 2.185 3.531 0.031 20 0 "[ . 1 . 2 . 3 .]" 1
468 1 23 ASN HB3 1 23 ASN HD22 3.800 . 5.600 3.716 3.461 4.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 23 ASN HB3 1 24 GLN H 3.600 . 5.200 4.203 3.656 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 23 ASN HB3 1 25 LYS H 4.500 . 6.000 4.434 3.340 5.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 23 ASN HB3 1 25 LYS H 3.300 . 4.700 3.491 3.101 3.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 23 ASN HB3 1 26 ALA H 3.400 . 4.900 3.129 2.251 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 23 ASN HB3 1 27 CYS H 3.600 . 5.200 4.054 3.693 4.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 23 ASN HB3 1 27 CYS HB2 3.600 . 5.300 3.494 2.408 4.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 23 ASN HD21 1 25 LYS QB 4.400 . 6.000 4.522 2.691 5.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 23 ASN HD21 1 26 ALA MB 3.300 . 4.600 3.464 1.973 4.667 0.067 11 0 "[ . 1 . 2 . 3 .]" 1
477 1 23 ASN HD22 1 25 LYS H 5.100 . 6.000 5.001 3.183 6.679 0.679 28 3 "[ . 1 . - 2 .* + 3 .]" 1
478 1 23 ASN HD22 1 25 LYS QB 3.900 . 5.800 4.025 2.338 6.028 0.228 26 0 "[ . 1 . 2 . 3 .]" 1
479 1 23 ASN HD22 1 26 ALA H 4.500 . 6.000 4.201 2.641 5.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 23 ASN HD22 1 26 ALA MB 3.500 . 5.000 3.753 2.431 5.073 0.073 33 0 "[ . 1 . 2 . 3 .]" 1
481 1 24 GLN H 1 24 GLN HA 2.600 . 3.400 2.803 2.740 2.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 24 GLN H 1 24 GLN HB2 2.500 . 3.300 2.459 2.157 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 24 GLN H 1 24 GLN HB3 2.600 . 3.400 2.561 2.419 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 24 GLN H 1 24 GLN HB3 2.500 . 3.300 2.213 1.779 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 24 GLN H 1 24 GLN QG . . 4.300 3.935 3.764 3.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 24 GLN H 1 25 LYS H 2.600 . 3.400 2.679 2.492 2.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 24 GLN H 1 25 LYS HA 5.400 . 6.000 5.262 5.107 5.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 24 GLN H 1 25 LYS QB 4.700 . 6.000 4.521 4.155 4.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 24 GLN H 1 25 LYS QB 3.000 . 4.100 3.020 2.362 3.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 24 GLN H 1 26 ALA H 3.800 . 5.600 4.357 4.155 4.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 24 GLN H 1 27 CYS HB2 4.800 . 6.000 5.211 4.396 5.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 24 GLN H 1 37 PHE QD 3.600 . 5.200 4.365 3.942 4.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 24 GLN H 1 37 PHE QE 3.400 . 4.800 3.453 3.009 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 24 GLN H 1 37 PHE HZ 4.400 . 6.000 4.515 4.107 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 24 GLN HA 1 24 GLN HB2 2.500 . 3.300 2.479 2.409 2.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 24 GLN HA 1 24 GLN HB3 2.800 . 3.800 3.017 2.952 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 24 GLN HA 1 24 GLN HE21 5.200 . 6.000 4.793 3.532 5.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 24 GLN HA 1 24 GLN QG 2.700 . 3.600 2.409 2.316 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 24 GLN HA 1 25 LYS H 2.800 . 3.800 3.537 3.504 3.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 24 GLN HA 1 26 ALA H 3.600 . 5.200 4.517 4.189 4.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 24 GLN HA 1 27 CYS H 3.200 . 4.500 3.395 3.103 3.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 24 GLN HA 1 27 CYS HB2 2.800 . 3.800 3.007 1.976 3.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 24 GLN HA 1 28 GLU H 3.200 . 4.500 3.973 3.709 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 24 GLN HA 1 37 PHE QD 2.400 . 3.100 2.315 1.826 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 24 GLN HA 1 37 PHE QE 3.000 . 4.100 3.166 2.567 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 24 GLN HB2 1 24 GLN HE21 4.400 . 6.000 4.008 2.507 4.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 24 GLN HB2 1 24 GLN HE22 5.100 . 6.000 4.512 3.663 5.376 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 24 GLN HB2 1 24 GLN QG 2.400 . 3.100 2.317 2.127 2.381 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 24 GLN HB2 1 25 LYS H 3.700 . 5.400 3.862 3.506 3.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 24 GLN HB2 1 26 ALA H 5.100 . 6.000 5.966 5.670 6.114 0.114 35 0 "[ . 1 . 2 . 3 .]" 1
511 1 24 GLN HB2 1 28 GLU H 4.000 . 6.000 5.929 5.658 6.438 0.438 13 0 "[ . 1 . 2 . 3 .]" 1
512 1 24 GLN HB2 1 37 PHE QD 3.200 . 4.500 3.622 3.090 4.518 0.018 28 0 "[ . 1 . 2 . 3 .]" 1
513 1 24 GLN HB2 1 37 PHE QE 3.300 . 4.700 3.417 3.062 3.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 24 GLN HB3 1 24 GLN HE21 3.400 . 4.800 3.849 1.921 4.489 0.079 6 0 "[ . 1 . 2 . 3 .]" 1
515 1 24 GLN HB3 1 24 GLN HE22 3.800 . 5.600 4.378 3.560 4.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 24 GLN HB3 1 24 GLN QG 2.400 . 3.100 2.344 2.292 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 24 GLN HB3 1 25 LYS H 2.600 . 3.400 2.619 2.391 2.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 24 GLN HB3 1 37 PHE QE 2.800 . 3.800 2.716 2.061 3.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 24 GLN HB3 1 37 PHE HZ 3.800 . 5.600 5.549 5.197 5.816 0.216 13 0 "[ . 1 . 2 . 3 .]" 1
520 1 24 GLN HE21 1 24 GLN QG 2.800 . 3.800 2.226 2.145 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 24 GLN HE21 1 28 GLU HG2 4.400 . 6.000 4.294 3.026 5.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 24 GLN HE21 1 28 GLU HG3 4.500 . 6.000 4.243 2.786 5.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 24 GLN HE21 1 37 PHE HB2 4.300 . 6.000 4.782 2.803 6.036 0.036 8 0 "[ . 1 . 2 . 3 .]" 1
524 1 24 GLN HE21 1 37 PHE HB3 4.200 . 6.000 4.319 2.496 5.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 24 GLN HE22 1 37 PHE HB3 4.000 . 6.000 5.149 3.696 6.016 0.016 19 0 "[ . 1 . 2 . 3 .]" 1
526 1 24 GLN QG 1 25 LYS H 3.600 . 5.200 3.761 3.394 4.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 24 GLN QG 1 25 LYS H 3.500 . 5.100 3.613 3.325 4.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 24 GLN QG 1 25 LYS H 3.600 . 5.200 3.559 3.207 4.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 24 GLN QG 1 28 GLU H 4.400 . 6.000 3.902 3.366 5.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 24 GLN QG 1 37 PHE HA 3.900 . 5.800 4.898 4.413 5.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 24 GLN QG 1 37 PHE QD 4.000 . 4.000 3.134 2.601 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 24 GLN QG 1 37 PHE QD 3.100 . 4.300 2.804 2.486 3.057 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 24 GLN QG 1 37 PHE QE 3.600 . 5.200 4.114 3.104 4.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 25 LYS H 1 25 LYS HA 2.500 . 3.300 2.801 2.745 2.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 25 LYS H 1 25 LYS QB 2.300 . 2.900 2.307 2.096 2.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 25 LYS H 1 25 LYS QD 4.700 . 6.000 4.178 3.195 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 25 LYS H 1 25 LYS QE 5.200 . 6.000 4.532 3.426 5.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 25 LYS H 1 26 ALA H 2.600 . 3.400 2.756 2.532 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 25 LYS H 1 26 ALA H 2.200 . 2.800 2.386 2.271 2.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 25 LYS H 1 28 GLU H 4.300 . 6.000 4.668 4.447 4.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 25 LYS H 1 28 GLU QB 4.700 . 6.000 5.093 4.567 5.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 25 LYS HA 1 25 LYS QB 2.300 . 3.000 2.388 2.302 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 25 LYS HA 1 25 LYS QD 3.200 . 4.500 3.203 1.827 4.228 0.073 2 0 "[ . 1 . 2 . 3 .]" 1
544 1 25 LYS HA 1 25 LYS QG 3.100 . 4.300 2.580 2.247 3.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 25 LYS HA 1 26 ALA H 3.100 . 4.300 3.546 3.514 3.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 25 LYS HA 1 28 GLU H 2.800 . 3.800 3.457 2.897 3.821 0.021 16 0 "[ . 1 . 2 . 3 .]" 1
547 1 25 LYS HA 1 28 GLU QB 2.700 . 3.600 2.802 2.219 3.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 25 LYS HA 1 28 GLU HG3 3.200 . 4.500 3.438 2.272 5.182 0.682 24 1 "[ . 1 . 2 +. 3 .]" 1
549 1 25 LYS QB 1 26 ALA H 2.500 . 3.300 2.480 2.219 2.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 25 LYS QB 1 27 CYS H 3.800 . 5.600 4.588 4.369 4.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 25 LYS QB 1 28 GLU H 3.600 . 5.200 4.954 4.668 5.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 25 LYS HB3 1 26 ALA HA 3.100 . 4.300 4.174 3.863 4.475 0.175 3 0 "[ . 1 . 2 . 3 .]" 1
553 1 25 LYS HB3 1 29 ASN H 3.700 . 5.400 3.879 3.574 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 25 LYS HB3 1 29 ASN QD 3.900 . 5.800 4.104 3.067 5.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 25 LYS HB3 1 29 ASN QD 4.200 . 6.000 3.730 2.665 4.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 25 LYS QD 1 29 ASN QD 4.000 . 5.600 4.340 3.496 4.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 25 LYS QG 1 29 ASN QD 3.100 . 4.300 2.916 2.242 3.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 26 ALA H 1 26 ALA HA 2.400 . 3.100 2.817 2.797 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 26 ALA H 1 26 ALA MB 2.300 . 2.900 2.239 2.219 2.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 26 ALA H 1 27 CYS H 2.700 . 3.600 2.619 2.500 2.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 26 ALA H 1 27 CYS HB2 4.700 . 6.000 4.841 4.405 5.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 26 ALA H 1 27 CYS HB3 4.100 . 6.000 5.150 4.762 6.078 0.078 4 0 "[ . 1 . 2 . 3 .]" 1
563 1 26 ALA H 1 28 GLU H 3.500 . 5.000 4.210 3.956 4.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 26 ALA HA 1 26 ALA MB 2.100 . 2.700 2.129 2.125 2.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 26 ALA HA 1 27 CYS H 3.100 . 4.300 3.510 3.449 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 26 ALA HA 1 29 ASN H 2.900 . 4.000 3.073 2.938 3.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 26 ALA HA 1 29 ASN H 3.000 . 4.100 3.424 3.239 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 26 ALA HA 1 29 ASN HB2 2.900 . 3.900 2.875 2.203 4.511 0.611 33 1 "[ . 1 . 2 . 3 + .]" 1
569 1 26 ALA HA 1 29 ASN HB3 3.500 . 5.000 4.207 2.412 4.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 26 ALA HA 1 29 ASN QD . . 3.400 2.133 1.762 3.300 0.238 3 0 "[ . 1 . 2 . 3 .]" 1
571 1 26 ALA MB 1 27 CYS H 2.200 . 2.800 2.586 2.414 2.871 0.071 24 0 "[ . 1 . 2 . 3 .]" 1
572 1 26 ALA MB 1 28 GLU H 3.100 . 4.300 2.551 1.780 3.547 0.120 11 0 "[ . 1 . 2 . 3 .]" 1
573 1 26 ALA MB 1 28 GLU H 3.100 . 4.300 2.838 1.889 3.805 0.011 30 0 "[ . 1 . 2 . 3 .]" 1
574 1 26 ALA MB 1 29 ASN H 3.900 . 5.800 4.493 4.316 4.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 26 ALA MB 1 29 ASN QD 4.400 . 6.000 3.494 2.963 4.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 27 CYS H 1 27 CYS HA 2.600 . 3.400 2.819 2.735 2.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 27 CYS H 1 27 CYS HB2 2.500 . 3.300 2.429 2.051 2.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 27 CYS H 1 27 CYS HB2 2.300 . 3.000 2.141 1.949 2.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 27 CYS H 1 27 CYS HB3 2.700 . 3.600 2.796 2.487 3.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 27 CYS H 1 28 GLU H 2.500 . 3.300 2.658 2.182 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 27 CYS H 1 28 GLU QB 4.800 . 6.000 4.615 3.754 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 27 CYS H 1 28 GLU HG2 5.200 . 6.000 4.843 4.156 6.326 0.326 24 0 "[ . 1 . 2 . 3 .]" 1
583 1 27 CYS H 1 29 ASN H 3.500 . 5.000 3.916 3.567 4.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 27 CYS H 1 30 LEU QD 4.500 . 6.000 4.086 3.631 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 27 CYS H 1 37 PHE QD 4.100 . 6.000 4.449 4.044 5.159 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 27 CYS H 1 44 CYS HB3 3.900 . 5.800 4.953 3.925 5.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 27 CYS H 1 44 CYS HB2 4.900 . 6.000 4.739 3.981 6.359 0.359 30 0 "[ . 1 . 2 . 3 .]" 1
588 1 27 CYS HA 1 27 CYS HB2 2.800 . 3.800 2.605 2.437 3.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 27 CYS HA 1 27 CYS HB3 2.800 . 3.800 2.922 2.321 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 27 CYS HA 1 28 GLU H 3.600 . 5.200 3.538 3.456 3.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 27 CYS HA 1 29 ASN H 3.800 . 5.600 4.051 3.737 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 27 CYS HA 1 30 LEU H 3.400 . 4.800 3.377 2.735 3.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 27 CYS HA 1 30 LEU QD 2.700 . 3.600 2.070 1.704 3.245 0.096 5 0 "[ . 1 . 2 . 3 .]" 1
594 1 27 CYS HA 1 37 PHE QD 4.100 . 6.000 5.145 4.548 6.030 0.030 17 0 "[ . 1 . 2 . 3 .]" 1
595 1 27 CYS HB2 1 28 GLU H 3.300 . 4.700 3.503 2.310 3.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 27 CYS HB2 1 29 ASN H 3.600 . 5.200 5.388 4.582 5.721 0.521 19 1 "[ . 1 . +2 . 3 .]" 1
597 1 27 CYS HB2 1 37 PHE H 3.800 . 5.600 5.135 3.149 6.415 0.815 7 2 "[ . + 1 . 2 . 3- .]" 1
598 1 27 CYS HB2 1 37 PHE QD 2.600 . 3.400 2.772 2.354 3.670 0.270 7 0 "[ . 1 . 2 . 3 .]" 1
599 1 27 CYS HB2 1 44 CYS H 4.800 . 6.000 4.873 4.092 6.143 0.143 23 0 "[ . 1 . 2 . 3 .]" 1
600 1 27 CYS HB3 1 28 GLU H 2.700 . 3.600 2.652 2.239 3.768 0.168 30 0 "[ . 1 . 2 . 3 .]" 1
601 1 27 CYS HB3 1 37 PHE QD 3.400 . 4.800 2.188 2.042 2.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 27 CYS HB3 1 44 CYS H 5.100 . 6.000 5.873 4.613 6.185 0.185 18 0 "[ . 1 . 2 . 3 .]" 1
603 1 28 GLU H 1 28 GLU HA 2.500 . 3.300 2.804 2.743 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.435 2.127 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 28 GLU H 1 28 GLU HG2 2.900 . 3.900 2.576 2.042 4.440 0.540 24 1 "[ . 1 . 2 +. 3 .]" 1
606 1 28 GLU H 1 28 GLU HG3 3.200 . 4.400 3.296 2.135 4.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 1 28 GLU H 1 29 ASN H 2.600 . 3.400 2.687 2.507 2.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 28 GLU H 1 29 ASN HA 5.000 . 6.000 5.291 5.116 5.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 28 GLU H 1 29 ASN QD 4.000 . 6.000 4.014 3.545 4.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 28 GLU H 1 30 LEU H 3.700 . 5.400 4.358 3.854 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 28 GLU H 1 30 LEU QD 5.200 . 6.000 4.640 4.308 5.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 28 GLU H 1 37 PHE HB2 4.900 . 6.000 4.806 4.201 5.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 28 GLU H 1 37 PHE QD 3.600 . 5.300 5.129 4.670 5.365 0.065 18 0 "[ . 1 . 2 . 3 .]" 1
614 1 28 GLU HA 1 28 GLU QB 2.400 . 3.100 2.377 2.167 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 28 GLU HA 1 28 GLU HG2 2.800 . 3.800 2.887 2.337 3.848 0.048 34 0 "[ . 1 . 2 . 3 .]" 1
616 1 28 GLU HA 1 28 GLU HG3 3.100 . 4.300 3.580 2.752 3.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 28 GLU HA 1 29 ASN H 2.800 . 3.800 3.479 3.313 3.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 28 GLU HA 1 31 LYS H 3.200 . 4.400 3.425 2.795 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 28 GLU HA 1 31 LYS QG 3.500 . 5.100 3.272 2.004 4.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 28 GLU QB 1 29 ASN H 2.800 . 3.800 2.859 2.558 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 28 GLU HG2 1 29 ASN H 4.600 . 6.000 4.547 2.734 5.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 29 ASN H 1 29 ASN HA 2.500 . 3.300 2.847 2.800 2.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 29 ASN H 1 29 ASN HB2 2.300 . 3.000 2.449 2.251 3.318 0.318 33 0 "[ . 1 . 2 . 3 .]" 1
624 1 29 ASN H 1 29 ASN HB3 2.700 . 3.600 3.505 2.056 3.625 0.025 10 0 "[ . 1 . 2 . 3 .]" 1
625 1 29 ASN H 1 29 ASN QD 4.500 . 6.000 3.142 2.328 3.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 29 ASN H 1 29 ASN QD 2.400 . 3.100 2.438 2.145 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 29 ASN H 1 30 LEU H 2.300 . 3.000 2.625 2.359 2.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 29 ASN H 1 30 LEU HA 4.500 . 6.000 5.233 5.043 5.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 29 ASN H 1 30 LEU QD 5.000 . 6.000 4.234 3.867 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 29 ASN H 1 30 LEU QD 3.800 . 5.600 3.788 3.563 4.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 29 ASN H 1 30 LEU HG 3.900 . 5.800 3.929 3.646 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 29 ASN HA 1 29 ASN HB2 2.800 . 3.800 2.972 2.225 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 29 ASN HA 1 29 ASN QB 2.400 . 3.100 2.400 2.148 2.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 1 29 ASN HA 1 29 ASN HB3 2.500 . 3.300 2.561 2.447 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 29 ASN HA 1 30 LEU H 3.200 . 4.500 3.539 3.444 3.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 29 ASN HA 1 31 LYS H 3.200 . 4.500 3.834 3.585 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 29 ASN QB 1 29 ASN QD 3.700 . 5.400 2.154 2.088 2.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 29 ASN HB2 1 29 ASN QD 2.400 . 3.100 2.144 1.957 3.183 0.083 33 0 "[ . 1 . 2 . 3 .]" 1
639 1 29 ASN HB2 1 30 LEU HA 3.800 . 5.600 4.615 4.259 5.624 0.024 29 0 "[ . 1 . 2 . 3 .]" 1
640 1 29 ASN HB2 1 30 LEU QD 3.900 . 5.800 3.887 2.369 5.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 29 ASN HB2 1 31 LYS H 4.300 . 6.000 4.702 4.406 5.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 29 ASN HB3 1 29 ASN QD 3.000 . 4.100 2.931 2.197 3.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 29 ASN HB3 1 29 ASN QD 2.800 . 3.800 2.742 2.170 3.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 29 ASN HB3 1 30 LEU H 3.500 . 5.000 3.438 3.010 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 29 ASN QD 1 30 LEU QD 5.000 . 6.000 4.617 2.577 5.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 30 LEU H 1 30 LEU HA 2.700 . 3.600 2.917 2.877 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.847 2.408 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 30 LEU H 1 30 LEU QD 3.700 . 5.000 2.750 2.560 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 30 LEU H 1 30 LEU HG 2.300 . 2.900 1.923 1.702 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 30 LEU H 1 31 LYS H 2.200 . 2.800 2.498 2.281 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 30 LEU H 1 31 LYS HA 4.800 . 6.000 4.647 4.368 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 30 LEU H 1 31 LYS HB3 4.000 . 6.000 5.201 4.510 5.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 30 LEU H 1 32 GLU H 5.300 . 6.000 4.800 4.588 5.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 30 LEU H 1 35 CYS HB2 4.800 . 6.000 5.111 4.282 6.592 0.592 4 1 "[ +. 1 . 2 . 3 .]" 1
655 1 30 LEU HA 1 30 LEU QD 2.700 . 3.600 3.169 2.025 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 30 LEU HA 1 30 LEU HG 3.000 . 4.100 3.544 3.096 3.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 30 LEU HA 1 31 LYS H 3.000 . 4.100 3.101 2.975 3.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 30 LEU HA 1 32 GLU H 4.500 . 6.000 3.426 2.991 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 30 LEU QB 1 30 LEU QD 2.400 . 3.100 1.918 1.824 1.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 30 LEU HB2 1 33 LYS H 3.700 . 5.400 4.239 3.716 5.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 30 LEU MD1 1 30 LEU MD2 2.200 . 2.800 2.082 2.073 2.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 30 LEU QD 1 30 LEU HG 2.200 . 2.700 1.890 1.887 1.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 30 LEU QD 1 31 LYS H 3.700 . 5.000 3.341 2.868 4.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 30 LEU QD 1 33 LYS H 4.000 . 6.000 4.289 3.985 4.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 30 LEU QD 1 33 LYS HB2 2.900 . 4.000 3.679 3.312 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 30 LEU QD 1 33 LYS HB3 3.700 . 5.400 4.742 3.556 5.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 30 LEU QD 1 33 LYS HD2 3.300 . 4.600 3.727 2.144 5.130 0.530 32 1 "[ . 1 . 2 . 3 + .]" 1
668 1 30 LEU QD 1 35 CYS HB2 2.900 . 6.000 2.577 1.882 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 30 LEU QD 1 35 CYS HB3 2.800 . 6.000 2.962 2.181 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 31 LYS H 1 31 LYS HA 2.400 . 3.100 2.761 2.655 2.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 31 LYS H 1 31 LYS HB2 2.400 . 3.100 2.251 1.964 2.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 31 LYS H 1 31 LYS HB3 2.400 . 3.100 2.780 2.396 3.429 0.329 22 0 "[ . 1 . 2 . 3 .]" 1
673 1 31 LYS H 1 31 LYS QD 3.700 . 5.400 4.256 3.439 4.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 31 LYS H 1 31 LYS QE 4.700 . 6.000 4.217 3.588 5.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 31 LYS H 1 31 LYS QG 3.400 . 4.900 3.817 2.682 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 31 LYS H 1 32 GLU H 2.900 . 4.000 2.764 2.573 3.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 31 LYS H 1 32 GLU H 2.800 . 3.800 2.424 2.284 2.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 31 LYS H 1 35 CYS H 5.200 . 6.000 5.145 4.576 5.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 31 LYS HA 1 31 LYS HB3 2.800 . 3.800 2.984 2.670 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 31 LYS HA 1 31 LYS QG 2.900 . 3.900 2.455 2.088 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 31 LYS HA 1 35 CYS H 2.700 . 3.600 2.827 1.960 3.630 0.030 14 0 "[ . 1 . 2 . 3 .]" 1
682 1 31 LYS HB2 1 35 CYS H 3.700 . 5.400 3.705 3.056 4.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 31 LYS QD 1 34 GLY H 4.600 . 6.000 5.123 3.794 6.101 0.101 31 0 "[ . 1 . 2 . 3 .]" 1
684 1 31 LYS QD 1 35 CYS H 3.400 . 4.800 4.529 3.666 5.007 0.207 32 0 "[ . 1 . 2 . 3 .]" 1
685 1 31 LYS QE 1 31 LYS QG 2.800 . 3.800 2.300 2.115 2.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 31 LYS QE 1 36 VAL HA 3.300 . 4.700 2.997 1.929 4.774 0.074 19 0 "[ . 1 . 2 . 3 .]" 1
687 1 31 LYS QE 1 36 VAL QG 3.400 . 4.900 2.737 1.860 4.425 0.040 30 0 "[ . 1 . 2 . 3 .]" 1
688 1 31 LYS HE2 1 47 LYS H 3.900 . 5.800 5.769 4.828 6.403 0.603 17 2 "[ . 1 . + 2- . 3 .]" 1
689 1 31 LYS QG 1 32 GLU H 3.800 . 5.600 4.179 3.427 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 32 GLU H 1 32 GLU HA 2.900 . 3.900 2.804 2.725 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 32 GLU H 1 32 GLU HB2 3.000 . 4.100 2.631 2.182 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 32 GLU H 1 32 GLU HB3 3.100 . 4.300 2.885 2.376 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 32 GLU H 1 32 GLU QG 3.300 . 4.600 3.180 1.898 4.057 0.102 33 0 "[ . 1 . 2 . 3 .]" 1
694 1 32 GLU H 1 33 LYS H 3.000 . 4.100 2.693 2.514 2.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 32 GLU H 1 34 GLY H 4.900 . 6.000 4.257 3.996 4.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 32 GLU H 1 35 CYS H 4.100 . 6.000 4.919 4.565 5.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 32 GLU HA 1 32 GLU HB2 2.700 . 3.600 2.647 2.372 3.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 32 GLU HA 1 32 GLU HB3 2.400 . 3.100 2.756 2.238 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 32 GLU HA 1 32 GLU QG 2.700 . 3.600 2.327 2.095 2.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 32 GLU HA 1 33 LYS H 3.100 . 4.300 3.419 3.188 3.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 32 GLU HB2 1 33 LYS H 3.400 . 4.800 3.236 2.615 3.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 32 GLU HB3 1 33 LYS H 2.800 . 3.800 2.377 2.229 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 32 GLU QG 1 33 LYS H 4.300 . 6.000 3.926 2.298 4.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 33 LYS H 1 33 LYS HA 2.900 . 3.900 2.897 2.862 2.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 33 LYS H 1 33 LYS HB2 2.500 . 3.300 2.444 2.296 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 33 LYS H 1 33 LYS HB3 3.400 . 4.800 3.591 2.648 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 33 LYS H 1 33 LYS HD3 4.300 . 6.000 4.261 2.473 5.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
708 1 33 LYS H 1 33 LYS QE 5.100 . 6.000 4.578 3.856 5.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 33 LYS H 1 33 LYS QG 3.100 . 4.300 2.772 1.991 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 33 LYS H 1 34 GLY H 2.500 . 3.300 2.468 2.245 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 33 LYS H 1 34 GLY HA2 4.500 . 6.000 4.840 4.677 5.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 33 LYS H 1 35 CYS H 3.500 . 5.000 3.524 3.015 4.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 33 LYS HA 1 33 LYS HB2 2.500 . 3.300 2.456 2.264 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 33 LYS HA 1 33 LYS HB3 2.800 . 3.800 2.513 2.400 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
715 1 33 LYS HA 1 33 LYS HD2 3.700 . 5.400 4.211 2.697 4.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 33 LYS HA 1 34 GLY H 3.300 . 4.700 3.288 2.998 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 33 LYS HB2 1 34 GLY H 3.400 . 4.900 3.481 2.132 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 33 LYS HB2 1 35 CYS H 3.900 . 5.800 3.906 3.065 5.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 33 LYS HB3 1 34 GLY H 3.800 . 5.600 4.148 3.212 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 33 LYS QG 1 34 GLY H 4.600 . 6.000 4.429 3.834 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 34 GLY H 1 34 GLY HA2 2.600 . 3.400 2.430 2.346 2.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 34 GLY H 1 34 GLY HA3 2.800 . 3.800 2.935 2.808 2.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 34 GLY H 1 35 CYS H 2.400 . 3.100 2.166 1.827 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 34 GLY H 1 46 LEU QD 4.000 . 6.000 4.879 4.104 5.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 34 GLY HA2 1 35 CYS H 2.900 . 3.900 2.999 2.500 3.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 34 GLY HA2 1 47 LYS H 3.800 . 5.600 4.560 3.906 5.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 34 GLY HA3 1 35 CYS H 3.800 . 5.600 3.424 3.191 3.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 34 GLY HA3 1 46 LEU QD 2.700 . 3.600 2.893 2.193 3.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 34 GLY HA3 1 47 LYS H 3.700 . 5.400 4.395 3.718 5.693 0.293 4 0 "[ . 1 . 2 . 3 .]" 1
730 1 35 CYS H 1 35 CYS HA 2.900 . 3.900 2.918 2.835 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 35 CYS H 1 35 CYS HB2 2.700 . 3.600 2.547 2.374 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 35 CYS H 1 35 CYS HB3 3.200 . 4.400 3.561 2.594 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 35 CYS H 1 36 VAL H 3.800 . 5.600 4.398 4.108 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 35 CYS H 1 46 LEU QD 3.600 . 5.200 4.370 3.519 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 35 CYS H 1 47 LYS H 4.700 . 6.000 4.964 4.299 5.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 35 CYS HA 1 35 CYS HB2 2.900 . 4.000 2.964 2.467 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 35 CYS HA 1 35 CYS HB3 3.000 . 4.100 2.548 2.426 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 35 CYS HA 1 36 VAL H 2.300 . 2.900 2.181 2.106 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 35 CYS HA 1 36 VAL QG 3.500 . 5.100 3.618 3.374 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 35 CYS HA 1 45 GLU H 3.600 . 5.200 4.648 4.012 5.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 35 CYS HA 1 46 LEU H 4.600 . 6.000 4.715 4.147 5.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 35 CYS HA 1 46 LEU HA 2.600 . 3.400 2.561 2.088 2.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 35 CYS HA 1 46 LEU QD 3.200 . 4.500 3.391 2.756 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 35 CYS HA 1 47 LYS H 3.000 . 4.100 3.185 2.459 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 35 CYS HB2 1 36 VAL H 3.500 . 5.000 4.169 3.535 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 35 CYS HB3 1 36 VAL H 3.200 . 4.500 3.328 2.308 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 36 VAL H 1 36 VAL HA 2.700 . 3.600 2.933 2.865 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 36 VAL H 1 36 VAL HB 3.200 . 4.500 3.061 2.568 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 36 VAL H 1 36 VAL QG 2.600 . 3.500 2.374 1.868 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
750 1 36 VAL H 1 37 PHE H 2.900 . 4.000 3.155 2.655 3.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 36 VAL H 1 44 CYS HA 3.800 . 5.600 4.693 4.137 5.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 36 VAL H 1 46 LEU H 4.800 . 6.000 4.852 4.643 5.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 36 VAL H 1 46 LEU HA 3.200 . 4.500 3.449 2.981 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 36 VAL H 1 46 LEU HB3 4.300 . 6.000 4.542 3.613 5.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 36 VAL H 1 47 LYS H 3.300 . 4.600 3.504 2.602 4.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 36 VAL H 1 47 LYS HA 4.400 . 6.000 4.509 3.276 5.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
757 1 36 VAL H 1 47 LYS QG 4.900 . 6.000 5.516 3.755 6.126 0.126 17 0 "[ . 1 . 2 . 3 .]" 1
758 1 36 VAL HA 1 36 VAL QG 2.500 . 3.300 2.258 2.126 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 36 VAL HA 1 37 PHE H 2.100 . 2.600 2.203 2.147 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 36 VAL HB 1 36 VAL QG 2.200 . 2.800 1.895 1.891 1.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 36 VAL HB 1 37 PHE H 2.700 . 3.600 2.596 2.416 3.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 36 VAL HB 1 47 LYS H 4.100 . 6.000 4.476 3.389 5.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 36 VAL QG 1 37 PHE H 2.900 . 3.900 2.605 2.145 3.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 36 VAL QG 1 38 ASN H 4.200 . 6.000 4.112 3.659 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 36 VAL QG 1 39 THR H 3.800 . 5.600 5.051 4.482 5.647 0.047 3 0 "[ . 1 . 2 . 3 .]" 1
766 1 36 VAL MG1 1 47 LYS H 3.100 . 4.300 2.051 1.698 2.589 0.202 25 0 "[ . 1 . 2 . 3 .]" 1
767 1 36 VAL QG 1 47 LYS H 2.700 . 3.600 3.044 1.874 3.638 0.038 26 0 "[ . 1 . 2 . 3 .]" 1
768 1 36 VAL QG 1 47 LYS HA 2.600 . 3.400 2.725 1.739 3.653 0.253 13 0 "[ . 1 . 2 . 3 .]" 1
769 1 36 VAL QG 1 47 LYS HB2 2.700 . 3.600 2.663 1.715 3.510 0.085 20 0 "[ . 1 . 2 . 3 .]" 1
770 1 36 VAL QG 1 48 LYS H 2.800 . 6.000 3.921 1.958 5.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 37 PHE H 1 37 PHE HA 2.500 . 3.300 2.433 2.189 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 37 PHE H 1 37 PHE HB2 2.600 . 3.400 2.443 2.330 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 37 PHE H 1 37 PHE HB3 2.500 . 3.300 2.679 2.531 2.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 37 PHE H 1 37 PHE QD 3.200 . 4.400 4.143 4.066 4.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 37 PHE H 1 37 PHE QD 3.300 . 4.700 3.977 3.850 4.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
776 1 37 PHE H 1 37 PHE QE 5.300 . 6.000 6.171 6.118 6.212 0.212 12 0 "[ . 1 . 2 . 3 .]" 1
777 1 37 PHE H 1 38 ASN H 3.400 . 4.800 3.331 2.736 3.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 37 PHE H 1 38 ASN QB 3.900 . 5.800 3.797 2.960 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 37 PHE HA 1 37 PHE HB3 2.800 . 3.800 3.014 2.999 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 37 PHE HA 1 37 PHE QD 2.400 . 3.100 2.927 2.617 3.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 37 PHE HA 1 38 ASN H 2.300 . 2.900 2.073 2.035 2.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 37 PHE HA 1 43 LYS H 3.800 . 5.600 4.322 4.054 4.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 37 PHE HA 1 44 CYS H 4.300 . 6.000 4.330 3.745 4.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 37 PHE HB2 1 37 PHE QD 2.200 . 2.800 2.347 2.295 2.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 37 PHE HB2 1 38 ASN H 3.800 . 5.600 4.326 4.220 4.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 37 PHE HB3 1 37 PHE QD 2.300 . 2.900 2.407 2.312 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 37 PHE HB3 1 37 PHE QE 4.100 . 6.000 4.403 4.379 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 37 PHE HB3 1 38 ASN H 3.700 . 5.500 4.070 3.926 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 37 PHE QD 1 38 ASN H 2.600 . 3.400 3.491 3.421 3.581 0.181 27 0 "[ . 1 . 2 . 3 .]" 1
790 1 37 PHE QD 1 39 THR H 3.400 . 4.800 3.600 3.194 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 37 PHE QD 1 44 CYS H 3.000 . 4.200 3.814 3.251 4.250 0.050 15 0 "[ . 1 . 2 . 3 .]" 1
792 1 37 PHE QD 1 44 CYS HA 2.600 . 3.400 3.277 2.670 3.527 0.127 7 0 "[ . 1 . 2 . 3 .]" 1
793 1 37 PHE QD 1 44 CYS HB2 2.800 . 3.800 2.830 1.855 4.555 0.755 27 4 "[ . 1 . - * . + * .]" 1
794 1 37 PHE QE 1 38 ASN H 3.400 . 4.800 4.518 4.301 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 37 PHE QE 1 39 THR H 4.600 . 6.000 4.646 4.061 5.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 37 PHE QE 1 39 THR HA 2.300 . 3.000 2.676 1.971 3.036 0.036 29 0 "[ . 1 . 2 . 3 .]" 1
797 1 37 PHE QE 1 39 THR HA 2.400 . 3.100 2.421 1.911 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 37 PHE QE 1 42 ASN H 3.400 . 4.900 4.555 4.135 4.917 0.017 23 0 "[ . 1 . 2 . 3 .]" 1
799 1 37 PHE QE 1 42 ASN HA 2.400 . 3.100 2.862 2.214 3.156 0.056 28 0 "[ . 1 . 2 . 3 .]" 1
800 1 37 PHE QE 1 43 LYS H 3.300 . 4.700 3.877 3.459 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 37 PHE QE 1 43 LYS HA 2.700 . 3.600 3.212 2.789 3.650 0.050 22 0 "[ . 1 . 2 . 3 .]" 1
802 1 37 PHE QE 1 44 CYS H 2.900 . 4.000 3.663 3.295 4.004 0.004 1 0 "[ . 1 . 2 . 3 .]" 1
803 1 37 PHE HZ 1 42 ASN H 4.700 . 6.000 5.615 4.946 6.011 0.011 29 0 "[ . 1 . 2 . 3 .]" 1
804 1 37 PHE HZ 1 42 ASN HA 2.800 . 3.800 3.528 2.782 3.895 0.095 5 0 "[ . 1 . 2 . 3 .]" 1
805 1 37 PHE HZ 1 43 LYS HA 3.300 . 4.600 3.594 3.033 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 37 PHE HZ 1 44 CYS H 3.800 . 5.600 5.182 4.625 5.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 38 ASN H 1 38 ASN QB 2.700 . 3.600 2.397 2.247 3.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
808 1 38 ASN H 1 39 THR H 3.700 . 5.400 4.237 4.036 4.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 38 ASN H 1 39 THR HA 4.500 . 6.000 4.396 4.152 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 38 ASN H 1 39 THR MG 4.400 . 6.000 4.996 4.655 5.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
811 1 38 ASN H 1 43 LYS H 2.900 . 3.900 3.235 2.839 3.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 38 ASN H 1 43 LYS QG 4.800 . 6.000 4.234 3.371 5.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 38 ASN H 1 44 CYS HA 2.800 . 3.800 2.856 2.027 3.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 38 ASN H 1 45 GLU QB 4.000 . 6.000 4.105 2.996 5.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 38 ASN HA 1 38 ASN QB 3.200 . 3.600 2.360 2.159 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 38 ASN HA 1 38 ASN HD21 4.000 . 6.000 4.143 1.886 4.603 0.114 12 0 "[ . 1 . 2 . 3 .]" 1
817 1 38 ASN HA 1 39 THR H 2.200 . 2.800 2.145 2.106 2.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 38 ASN HA 1 40 GLU H 3.000 . 4.200 3.554 3.352 3.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 38 ASN HA 1 41 SER H 4.600 . 6.000 4.675 4.215 5.215 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 38 ASN HA 1 42 ASN H 3.800 . 5.600 5.099 4.572 5.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 38 ASN QB 1 38 ASN HD21 2.900 . 3.400 2.222 2.092 2.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 38 ASN QB 1 38 ASN HD22 3.600 . 5.300 3.238 3.190 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 38 ASN QB 1 39 THR H 4.000 . 5.500 3.876 3.388 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 38 ASN QB 1 40 GLU H 4.100 . 6.000 3.921 2.733 4.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 38 ASN QB 1 41 SER H 3.500 . 5.000 3.276 2.639 3.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
826 1 38 ASN QB 1 42 ASN H 3.800 . 5.600 3.912 3.049 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 38 ASN QB 1 43 LYS H 2.900 . 3.900 3.316 2.450 3.957 0.057 34 0 "[ . 1 . 2 . 3 .]" 1
828 1 38 ASN HD21 1 40 GLU H 4.400 . 6.000 4.352 2.683 5.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 38 ASN HD21 1 40 GLU H 3.200 . 4.500 2.348 1.799 3.319 0.101 21 0 "[ . 1 . 2 . 3 .]" 1
830 1 38 ASN HD21 1 40 GLU H 3.200 . 4.500 2.764 1.990 3.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 38 ASN HD21 1 40 GLU QB 4.600 . 6.000 3.617 2.304 4.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 38 ASN HD21 1 41 SER H 3.800 . 5.600 3.315 2.113 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 38 ASN HD21 1 41 SER QB 3.900 . 5.800 3.182 1.979 5.587 0.021 30 0 "[ . 1 . 2 . 3 .]" 1
834 1 38 ASN HD21 1 42 ASN H 3.500 . 5.100 4.902 3.795 5.326 0.226 29 0 "[ . 1 . 2 . 3 .]" 1
835 1 38 ASN HD22 1 40 GLU H 4.200 . 6.000 3.791 2.503 6.002 0.002 34 0 "[ . 1 . 2 . 3 .]" 1
836 1 38 ASN HD22 1 40 GLU QB 3.200 . 4.500 2.413 1.860 4.959 0.459 34 0 "[ . 1 . 2 . 3 .]" 1
837 1 38 ASN HD22 1 41 SER H 4.100 . 6.000 3.158 2.646 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 38 ASN HD22 1 41 SER QB 4.100 . 6.000 3.614 2.406 5.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 39 THR H 1 39 THR HA 2.600 . 3.400 2.842 2.796 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 39 THR H 1 39 THR HB 3.300 . 4.700 3.545 3.431 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 39 THR H 1 39 THR MG 2.300 . 3.000 2.596 2.312 3.044 0.044 8 0 "[ . 1 . 2 . 3 .]" 1
842 1 39 THR H 1 40 GLU H 2.500 . 3.300 2.535 2.272 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
843 1 39 THR H 1 40 GLU QB 4.500 . 6.000 4.442 3.999 5.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 39 THR H 1 41 SER H 4.300 . 6.000 4.508 4.093 4.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 39 THR HA 1 39 THR HB 2.200 . 2.800 2.591 2.514 2.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 39 THR HA 1 39 THR MG 2.200 . 2.800 2.237 2.145 2.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 39 THR HA 1 40 GLU H 3.300 . 4.700 3.425 3.303 3.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 39 THR HA 1 41 SER H 3.900 . 5.800 3.924 3.476 4.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 39 THR HB 1 39 THR MG 2.200 . 2.800 2.136 2.132 2.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 39 THR HB 1 40 GLU H 3.600 . 5.200 3.841 3.569 4.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 39 THR MG 1 40 GLU H 4.200 . 6.000 4.218 4.068 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 39 THR MG 1 41 SER H 4.300 . 6.000 5.193 4.701 5.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 39 THR MG 1 42 ASN H 3.900 . 5.800 4.600 4.243 4.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 40 GLU H 1 40 GLU HA 2.600 . 3.500 2.832 2.763 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 40 GLU H 1 40 GLU QB 2.400 . 3.100 2.356 2.174 2.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 40 GLU H 1 40 GLU QG 3.200 . 4.500 3.251 1.846 4.075 0.054 19 0 "[ . 1 . 2 . 3 .]" 1
857 1 40 GLU H 1 41 SER H 2.400 . 3.100 2.667 2.404 3.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 40 GLU H 1 41 SER QB 4.800 . 6.000 4.824 4.310 5.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 40 GLU H 1 42 ASN H 3.300 . 4.700 3.453 3.123 3.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 40 GLU H 1 43 LYS H 4.600 . 6.000 5.289 4.990 5.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 40 GLU HA 1 40 GLU QB 2.400 . 3.100 2.356 2.248 2.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 40 GLU HA 1 40 GLU QG 2.800 . 3.800 2.710 2.345 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 40 GLU HA 1 40 GLU QG 3.000 . 4.100 2.340 2.063 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 40 GLU HA 1 41 SER H 3.300 . 4.600 3.543 3.437 3.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 40 GLU HA 1 42 ASN H 4.000 . 6.000 4.150 3.855 4.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 40 GLU QB 1 41 SER H 2.700 . 3.600 2.423 2.013 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 40 GLU QB 1 42 ASN H 3.200 . 4.500 4.207 3.779 4.514 0.014 7 0 "[ . 1 . 2 . 3 .]" 1
868 1 41 SER H 1 41 SER HA 2.900 . 3.900 2.907 2.801 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 41 SER H 1 41 SER QB 2.700 . 3.600 2.556 2.265 3.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 41 SER H 1 42 ASN H 2.400 . 3.100 2.211 1.899 2.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 41 SER H 1 42 ASN HA 4.200 . 6.000 4.403 4.055 4.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 41 SER H 1 42 ASN HB3 5.400 . 6.000 5.544 5.318 5.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 41 SER H 1 43 LYS H 3.500 . 5.000 4.093 3.358 4.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 41 SER H 1 43 LYS QG 4.900 . 6.000 4.514 3.897 6.026 0.026 22 0 "[ . 1 . 2 . 3 .]" 1
875 1 41 SER HA 1 41 SER QB 2.300 . 2.900 2.315 2.182 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 41 SER HA 1 42 ASN H 3.300 . 4.600 3.332 3.166 3.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 41 SER HA 1 43 LYS H 4.700 . 6.000 5.161 4.096 5.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 41 SER QB 1 43 LYS HE2 2.900 . 6.000 3.771 1.994 5.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 41 SER QB 1 42 ASN H 3.600 . 5.200 3.293 2.701 3.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 41 SER QB 1 43 LYS H 3.800 . 5.600 3.626 2.390 4.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 42 ASN H 1 42 ASN HA 2.200 . 2.800 2.260 2.241 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 42 ASN H 1 42 ASN HB2 3.400 . 4.800 3.155 2.974 3.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 42 ASN H 1 42 ASN HB3 3.300 . 4.700 3.677 3.032 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 42 ASN H 1 43 LYS H 2.500 . 3.300 2.819 2.460 3.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 42 ASN H 1 43 LYS QG 4.500 . 6.000 4.131 3.529 6.029 0.029 22 0 "[ . 1 . 2 . 3 .]" 1
886 1 42 ASN HA 1 42 ASN HB2 3.000 . 4.100 2.532 2.427 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 42 ASN HA 1 42 ASN HB3 2.800 . 3.800 3.004 2.413 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 42 ASN HA 1 42 ASN HD21 4.500 . 6.000 3.593 1.841 4.468 0.159 32 0 "[ . 1 . 2 . 3 .]" 1
889 1 42 ASN HA 1 42 ASN HD22 5.000 . 6.000 4.204 3.455 5.111 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 42 ASN HA 1 43 LYS H 2.400 . 3.100 2.614 2.250 3.157 0.057 17 0 "[ . 1 . 2 . 3 .]" 1
891 1 42 ASN HB2 1 42 ASN HD21 2.800 . 3.800 3.237 2.255 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 42 ASN HB2 1 42 ASN HD22 3.600 . 5.200 3.942 3.491 4.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 42 ASN HB2 1 43 LYS H 4.400 . 6.000 4.577 4.359 4.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 42 ASN HB3 1 42 ASN HD21 2.900 . 4.000 2.509 2.199 3.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 42 ASN HB3 1 43 LYS H 3.700 . 5.500 4.296 3.686 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 43 LYS H 1 43 LYS HA 2.700 . 3.600 2.857 2.777 2.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 43 LYS H 1 43 LYS QB 3.300 . 4.700 3.212 2.719 3.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
898 1 43 LYS H 1 43 LYS QD 3.600 . 5.200 4.573 4.201 4.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
899 1 43 LYS H 1 43 LYS QG 3.200 . 4.500 2.752 2.239 4.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
900 1 43 LYS H 1 44 CYS H 4.300 . 6.000 4.320 4.172 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 43 LYS H 1 45 GLU QB 4.500 . 6.000 5.385 4.338 6.047 0.047 8 0 "[ . 1 . 2 . 3 .]" 1
902 1 43 LYS HA 1 43 LYS QG 3.500 . 5.000 3.281 2.572 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
903 1 43 LYS HA 1 44 CYS H 2.200 . 2.800 2.375 2.227 2.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
904 1 43 LYS QB 1 43 LYS QE 3.000 . 4.100 2.880 1.880 3.656 0.020 19 0 "[ . 1 . 2 . 3 .]" 1
905 1 43 LYS QB 1 44 CYS H 3.200 . 4.400 2.542 2.153 3.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 43 LYS QE 1 43 LYS QG 3.200 . 4.500 2.357 2.137 2.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 43 LYS QG 1 44 CYS H 3.900 . 5.800 3.618 2.607 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 44 CYS H 1 44 CYS HA 2.900 . 4.000 2.886 2.814 2.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 44 CYS H 1 44 CYS HB2 2.700 . 3.600 2.619 2.058 3.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 44 CYS H 1 44 CYS HB3 2.600 . 3.400 2.744 2.449 3.600 0.200 30 0 "[ . 1 . 2 . 3 .]" 1
911 1 44 CYS H 1 45 GLU H 4.000 . 6.000 4.491 4.380 4.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 44 CYS HA 1 45 GLU H 2.200 . 2.800 2.166 2.111 2.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
913 1 44 CYS HB2 1 45 GLU H 4.300 . 6.000 4.262 3.559 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
914 1 45 GLU H 1 45 GLU QG 3.300 . 4.600 3.586 2.209 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 45 GLU H 1 46 LEU H 3.900 . 5.800 4.416 4.285 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 45 GLU HA 1 45 GLU QG 2.900 . 4.000 2.619 2.123 3.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 45 GLU HA 1 46 LEU H 2.200 . 2.800 2.379 2.188 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 45 GLU QB 1 46 LEU H 3.200 . 4.500 2.907 2.067 3.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 45 GLU QB 1 48 LYS H 4.100 . 6.000 5.504 4.805 6.128 0.128 2 0 "[ . 1 . 2 . 3 .]" 1
920 1 45 GLU QG 1 46 LEU H 3.000 . 4.100 3.033 1.869 4.194 0.094 25 0 "[ . 1 . 2 . 3 .]" 1
921 1 46 LEU H 1 46 LEU HB2 2.900 . 4.000 2.555 2.097 2.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 46 LEU H 1 46 LEU HB3 2.600 . 3.400 2.511 2.258 3.443 0.043 34 0 "[ . 1 . 2 . 3 .]" 1
923 1 46 LEU H 1 46 LEU QD 3.800 . 5.400 3.727 3.455 3.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 46 LEU H 1 46 LEU HG 3.200 . 4.500 4.338 3.121 4.509 0.009 16 0 "[ . 1 . 2 . 3 .]" 1
925 1 46 LEU H 1 47 LYS H 3.800 . 5.600 4.502 4.028 4.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 46 LEU H 1 47 LYS HA 4.900 . 6.000 5.474 5.171 5.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 46 LEU HA 1 46 LEU QD . . 2.800 2.160 1.761 2.497 0.139 34 0 "[ . 1 . 2 . 3 .]" 1
928 1 46 LEU HA 1 46 LEU HG 3.300 . 4.600 3.092 2.476 3.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
929 1 46 LEU HA 1 47 LYS H 2.300 . 2.900 2.210 2.134 2.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 46 LEU HB2 1 46 LEU QD 2.200 . 2.800 1.842 1.784 2.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 46 LEU HB2 1 46 LEU QD 2.100 . 2.700 1.807 1.765 1.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 46 LEU HB3 1 46 LEU QD 2.900 . 3.900 2.230 2.103 2.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 46 LEU HB3 1 46 LEU HG 2.400 . 3.100 2.567 2.420 3.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
934 1 46 LEU QD 1 47 LYS H 2.600 . 3.400 2.342 1.779 3.424 0.024 13 0 "[ . 1 . 2 . 3 .]" 1
935 1 46 LEU HG 1 47 LYS H 3.300 . 4.700 3.246 2.243 4.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
936 1 47 LYS H 1 47 LYS HG2 3.200 . 4.400 3.298 1.921 4.144 0.079 2 0 "[ . 1 . 2 . 3 .]" 1
937 1 47 LYS H 1 47 LYS HA 2.800 . 3.800 2.825 2.713 2.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 47 LYS H 1 47 LYS HA 2.100 . 2.600 2.213 1.934 2.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
939 1 47 LYS H 1 47 LYS HB2 2.700 . 3.600 2.936 2.218 3.651 0.051 8 0 "[ . 1 . 2 . 3 .]" 1
940 1 47 LYS H 1 47 LYS HB3 2.400 . 3.100 2.626 2.284 3.653 0.553 13 1 "[ . 1 + . 2 . 3 .]" 1
941 1 47 LYS H 1 47 LYS QD 3.000 . 4.100 3.662 1.835 4.303 0.203 13 0 "[ . 1 . 2 . 3 .]" 1
942 1 47 LYS H 1 47 LYS QG 3.300 . 4.700 3.587 1.951 4.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 47 LYS H 1 48 LYS QE 4.600 . 6.000 5.625 4.491 6.145 0.145 15 0 "[ . 1 . 2 . 3 .]" 1
944 1 47 LYS H 1 50 VAL HB 4.100 . 6.000 5.215 3.884 6.044 0.044 16 0 "[ . 1 . 2 . 3 .]" 1
945 1 47 LYS HA 1 47 LYS HB2 2.700 . 3.600 2.481 2.292 2.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 47 LYS HA 1 47 LYS QD 3.100 . 4.300 2.858 1.808 3.893 0.092 31 0 "[ . 1 . 2 . 3 .]" 1
947 1 47 LYS HA 1 47 LYS QG 2.700 . 3.600 2.927 2.283 3.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 47 LYS HA 1 48 LYS H 2.100 . 2.700 2.334 1.980 2.720 0.020 2 0 "[ . 1 . 2 . 3 .]" 1
949 1 47 LYS HA 1 50 VAL H 4.100 . 6.000 3.959 2.794 5.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 47 LYS HB2 1 49 ASP H 3.500 . 5.000 4.438 3.028 5.387 0.387 29 0 "[ . 1 . 2 . 3 .]" 1
951 1 47 LYS HB2 1 50 VAL H 3.900 . 5.800 4.161 2.893 5.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 47 LYS HB3 1 50 VAL H 4.100 . 6.000 3.984 2.743 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 47 LYS QD 1 49 ASP H 3.500 . 5.000 4.407 3.035 5.166 0.166 10 0 "[ . 1 . 2 . 3 .]" 1
954 1 47 LYS HD2 1 49 ASP H 3.100 . 4.300 3.993 2.823 5.137 0.837 25 3 "[ .* 1 -. 2 + 3 .]" 1
955 1 47 LYS QG 1 49 ASP H 3.500 . 5.000 3.857 1.988 5.414 0.414 13 0 "[ . 1 . 2 . 3 .]" 1
956 1 47 LYS QG 1 50 VAL H 3.700 . 5.400 3.313 1.899 5.528 0.128 2 0 "[ . 1 . 2 . 3 .]" 1
957 1 47 LYS HG3 1 48 LYS H 3.000 . 4.100 2.767 1.886 3.947 0.014 30 0 "[ . 1 . 2 . 3 .]" 1
958 1 48 LYS H 1 48 LYS QB 2.400 . 3.100 2.376 2.120 2.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 48 LYS H 1 48 LYS QE 4.600 . 6.000 4.120 2.131 6.010 0.010 35 0 "[ . 1 . 2 . 3 .]" 1
960 1 48 LYS H 1 49 ASP HA 5.200 . 6.000 5.246 5.077 5.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 48 LYS H 1 50 VAL H 5.100 . 6.000 4.383 3.864 5.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
962 1 48 LYS HA 1 48 LYS QB 2.400 . 3.100 2.303 2.161 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 48 LYS HA 1 48 LYS QD 3.200 . 4.500 3.023 1.953 3.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 48 LYS HA 1 49 ASP H 2.500 . 3.300 3.439 3.310 3.512 0.212 21 0 "[ . 1 . 2 . 3 .]" 1
965 1 48 LYS QB 1 49 ASP H 2.900 . 3.900 2.966 2.271 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 48 LYS QE 1 49 ASP H 3.700 . 5.400 4.632 3.362 5.534 0.134 13 0 "[ . 1 . 2 . 3 .]" 1
967 1 48 LYS QG 1 49 ASP H 3.200 . 4.500 3.444 2.166 4.654 0.154 31 0 "[ . 1 . 2 . 3 .]" 1
968 1 49 ASP H 1 49 ASP HA 2.500 . 3.300 2.831 2.747 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 49 ASP H 1 49 ASP HB2 2.900 . 3.900 2.645 2.307 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 49 ASP H 1 49 ASP HB3 3.100 . 4.300 2.895 2.077 3.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 49 ASP H 1 50 VAL H 2.700 . 3.600 2.630 2.271 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 49 ASP H 1 50 VAL MG2 3.900 . 5.800 4.045 3.601 4.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 49 ASP HA 1 49 ASP HB2 2.500 . 3.300 2.647 2.252 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 49 ASP HA 1 50 VAL H 2.600 . 3.500 3.524 3.420 3.564 0.064 15 0 "[ . 1 . 2 . 3 .]" 1
975 1 49 ASP HA 1 51 LYS H 4.100 . 6.000 4.566 4.246 4.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 49 ASP HA 1 52 GLU H 3.600 . 5.300 3.614 2.954 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 49 ASP HA 1 52 GLU QB 3.000 . 4.100 2.845 2.042 4.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 49 ASP HA 1 53 LYS H 4.600 . 6.000 4.200 3.442 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 49 ASP HB2 1 50 VAL H 3.900 . 5.800 3.388 1.947 4.002 0.053 4 0 "[ . 1 . 2 . 3 .]" 1
980 1 49 ASP HB2 1 51 LYS H 4.100 . 6.000 5.550 4.474 6.143 0.143 32 0 "[ . 1 . 2 . 3 .]" 1
981 1 49 ASP HB2 1 52 GLU H 4.200 . 6.000 5.691 4.954 6.279 0.279 32 0 "[ . 1 . 2 . 3 .]" 1
982 1 49 ASP HB3 1 50 VAL H 3.500 . 5.100 3.003 2.117 4.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 50 VAL H 1 50 VAL HA 2.800 . 3.700 2.836 2.787 2.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 50 VAL H 1 50 VAL HB 2.700 . 3.600 2.579 2.444 3.639 0.039 22 0 "[ . 1 . 2 . 3 .]" 1
985 1 50 VAL H 1 50 VAL MG2 2.600 . 3.400 2.091 1.849 2.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 50 VAL H 1 51 LYS H 2.600 . 3.400 2.595 2.308 2.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 50 VAL H 1 52 GLU H 4.400 . 6.000 4.024 3.606 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 50 VAL HA 1 50 VAL HB 2.600 . 3.400 3.012 2.519 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 50 VAL HA 1 50 VAL QG 2.300 . 3.000 2.136 2.124 2.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 50 VAL HA 1 51 LYS H 2.700 . 3.600 3.541 3.473 3.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
991 1 50 VAL HA 1 53 LYS H 4.000 . 6.000 3.514 3.043 4.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 50 VAL HA 1 54 LEU H 4.300 . 6.000 4.271 3.625 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
993 1 50 VAL HB 1 50 VAL QG 2.200 . 2.800 1.897 1.893 1.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 50 VAL HB 1 51 LYS H 2.700 . 3.600 2.608 2.340 3.727 0.127 22 0 "[ . 1 . 2 . 3 .]" 1
995 1 50 VAL QG 1 51 LYS QG 3.800 . 5.600 4.514 3.140 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 50 VAL QG 1 51 LYS H 3.300 . 4.600 3.167 2.248 3.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 50 VAL QG 1 51 LYS HA 3.500 . 5.000 3.464 3.163 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 50 VAL QG 1 52 GLU H 4.000 . 6.000 4.575 4.194 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 50 VAL MG1 1 52 GLU H 3.900 . 5.800 5.020 4.763 5.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 50 VAL MG1 1 53 LYS H 4.200 . 6.000 4.730 4.219 5.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 51 LYS H 1 51 LYS HA 2.700 . 3.600 2.810 2.761 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
1002 1 51 LYS H 1 51 LYS HB2 2.500 . 3.300 2.529 2.287 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 51 LYS H 1 51 LYS HB3 2.800 . 3.800 2.647 2.344 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
1004 1 51 LYS H 1 51 LYS QE 5.300 . 6.000 4.792 3.410 6.059 0.059 31 0 "[ . 1 . 2 . 3 .]" 1
1005 1 51 LYS H 1 51 LYS QG 3.900 . 5.800 3.790 1.981 4.075 0.019 10 0 "[ . 1 . 2 . 3 .]" 1
1006 1 51 LYS H 1 52 GLU H 2.400 . 3.100 2.650 2.468 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 51 LYS HA 1 51 LYS HB2 2.500 . 3.300 2.521 2.367 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 51 LYS HA 1 51 LYS HB3 3.000 . 4.100 2.958 2.416 3.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 51 LYS HA 1 52 GLU H 2.600 . 3.400 3.502 3.451 3.561 0.161 13 0 "[ . 1 . 2 . 3 .]" 1
1010 1 51 LYS HA 1 54 LEU H 4.000 . 6.000 3.436 2.915 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 51 LYS HA 1 54 LEU QD 2.800 . 3.800 3.237 1.960 3.920 0.120 22 0 "[ . 1 . 2 . 3 .]" 1
1012 1 51 LYS HB2 1 52 GLU H 3.500 . 5.100 3.736 2.437 4.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 51 LYS HB2 1 55 GLU H 2.600 . 6.000 5.643 4.236 6.489 0.489 27 0 "[ . 1 . 2 . 3 .]" 1
1014 1 51 LYS HB3 1 52 GLU H 2.600 . 3.400 2.744 2.283 3.855 0.455 10 0 "[ . 1 . 2 . 3 .]" 1
1015 1 51 LYS QG 1 52 GLU H 3.800 . 5.600 3.748 3.177 4.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 51 LYS QG 1 55 GLU HA 3.000 . 4.100 3.485 2.461 4.268 0.168 21 0 "[ . 1 . 2 . 3 .]" 1
1017 1 51 LYS QG 1 55 GLU HA 2.700 . 3.600 3.527 2.484 4.144 0.544 35 1 "[ . 1 . 2 . 3 +]" 1
1018 1 52 GLU H 1 52 GLU HA 2.600 . 3.400 2.813 2.761 2.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 52 GLU H 1 52 GLU QB 2.300 . 3.000 2.257 2.155 2.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 52 GLU H 1 52 GLU QG 3.800 . 5.600 3.790 2.148 4.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 52 GLU H 1 53 LYS H 2.600 . 3.500 2.690 2.451 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
1022 1 52 GLU H 1 53 LYS HB3 3.200 . 4.500 3.392 2.105 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 52 GLU HA 1 52 GLU QB 2.400 . 3.100 2.358 2.172 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 52 GLU HA 1 52 GLU QG 3.100 . 4.300 2.684 2.336 3.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 52 GLU HA 1 53 LYS H 2.700 . 3.600 3.539 3.450 3.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 52 GLU HA 1 55 GLU H 3.200 . 4.500 3.653 3.142 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 52 GLU QB 1 53 LYS H 3.000 . 4.100 2.563 2.163 3.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 52 GLU QG 1 53 LYS H 4.800 . 6.000 3.523 2.244 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 52 GLU QG 1 56 LYS H 4.000 . 6.000 4.226 3.547 5.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 53 LYS H 1 53 LYS HA 2.700 . 3.600 2.846 2.774 2.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 53 LYS H 1 53 LYS HB2 2.600 . 3.500 2.474 2.088 3.613 0.113 23 0 "[ . 1 . 2 . 3 .]" 1
1032 1 53 LYS H 1 53 LYS QB 2.600 . 3.500 2.320 2.065 2.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 53 LYS H 1 53 LYS HB3 2.900 . 3.900 3.150 2.444 3.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
1034 1 53 LYS H 1 53 LYS QD 4.500 . 6.000 3.988 2.298 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 53 LYS H 1 53 LYS HG2 4.200 . 6.000 3.794 1.836 4.621 0.164 23 0 "[ . 1 . 2 . 3 .]" 1
1036 1 53 LYS H 1 54 LEU H 2.700 . 3.600 2.531 2.235 2.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 53 LYS H 1 54 LEU QB 4.200 . 6.000 4.313 3.930 5.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 53 LYS HA 1 53 LYS QD 3.500 . 5.000 2.892 1.933 3.881 0.067 29 0 "[ . 1 . 2 . 3 .]" 1
1039 1 53 LYS HA 1 53 LYS HG2 2.800 . 3.800 2.383 2.080 3.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1040 1 53 LYS HA 1 53 LYS HG3 2.700 . 3.600 2.959 2.212 3.832 0.232 15 0 "[ . 1 . 2 . 3 .]" 1
1041 1 53 LYS HA 1 54 LEU H 2.400 . 6.000 3.422 3.267 3.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
1042 1 53 LYS HA 1 54 LEU H 2.500 . 3.300 3.373 3.227 3.475 0.175 33 0 "[ . 1 . 2 . 3 .]" 1
1043 1 53 LYS HA 1 54 LEU H 2.200 . 2.800 2.452 2.191 2.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 53 LYS QB 1 54 LEU H 2.700 . 3.600 2.343 2.044 2.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 53 LYS HB3 1 54 LEU HA 3.000 . 4.100 2.666 2.345 2.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
1046 1 54 LEU H 1 54 LEU HA 2.300 . 2.900 2.875 2.789 2.925 0.025 12 0 "[ . 1 . 2 . 3 .]" 1
1047 1 54 LEU H 1 54 LEU QB 2.400 . 3.100 2.286 2.141 2.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
1048 1 54 LEU H 1 54 LEU QD 3.500 . 5.100 3.629 2.565 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 54 LEU H 1 54 LEU HG 3.300 . 4.600 4.185 1.984 4.683 0.083 12 0 "[ . 1 . 2 . 3 .]" 1
1050 1 54 LEU H 1 55 GLU H 2.700 . 3.600 2.482 2.164 2.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 54 LEU H 1 55 GLU H 2.200 . 2.800 2.013 1.588 2.460 0.012 11 0 "[ . 1 . 2 . 3 .]" 1
1052 1 54 LEU HA 1 54 LEU QB 2.600 . 3.500 2.370 2.149 2.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 54 LEU HA 1 54 LEU QD 2.500 . 3.300 2.205 1.882 3.394 0.094 33 0 "[ . 1 . 2 . 3 .]" 1
1054 1 54 LEU HA 1 54 LEU HG 2.900 . 3.900 3.114 2.460 3.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
1055 1 54 LEU QB 1 55 GLU H 2.900 . 4.000 2.511 2.126 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 54 LEU QD 1 55 GLU H 2.900 . 4.000 3.657 2.248 4.080 0.080 25 0 "[ . 1 . 2 . 3 .]" 1
1057 1 54 LEU HG 1 55 GLU H 3.400 . 4.800 4.101 2.865 4.934 0.134 4 0 "[ . 1 . 2 . 3 .]" 1
1058 1 55 GLU H 1 55 GLU HA 2.300 . 3.000 2.269 1.916 2.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 55 GLU H 1 55 GLU HA 2.200 . 2.800 2.189 1.848 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 55 GLU H 1 55 GLU HA 2.300 . 3.000 2.151 1.837 2.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 55 GLU H 1 55 GLU QB 2.400 . 3.100 2.166 1.992 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 55 GLU H 1 55 GLU QB 2.300 . 3.000 2.108 1.957 2.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 55 GLU H 1 55 GLU QB 2.500 . 3.300 2.171 2.013 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 55 GLU H 1 55 GLU QG 3.300 . 4.700 2.412 1.804 3.575 0.096 24 0 "[ . 1 . 2 . 3 .]" 1
1065 1 55 GLU H 1 56 LYS H 2.600 . 3.400 2.582 2.295 3.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 55 GLU HA 1 55 GLU QB 2.600 . 3.400 2.355 2.164 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 55 GLU HA 1 55 GLU QG 3.100 . 4.300 2.701 2.192 3.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 55 GLU HA 1 55 GLU QG 3.000 . 4.200 2.335 2.028 2.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 55 GLU HA 1 56 LYS H 2.400 . 3.100 2.524 2.214 2.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 55 GLU HA 1 59 LYS H 3.300 . 6.000 5.018 3.068 6.099 0.099 25 0 "[ . 1 . 2 . 3 .]" 1
1071 1 55 GLU QB 1 56 LYS H 3.000 . 4.100 2.750 1.860 4.028 0.040 7 0 "[ . 1 . 2 . 3 .]" 1
1072 1 56 LYS H 1 56 LYS QB 2.700 . 3.600 2.774 2.186 3.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 56 LYS H 1 56 LYS QG 3.200 . 4.500 3.312 2.021 4.503 0.003 18 0 "[ . 1 . 2 . 3 .]" 1
1074 1 56 LYS HA 1 58 SER H 2.600 . 3.500 3.118 2.307 3.529 0.029 3 0 "[ . 1 . 2 . 3 .]" 1
1075 1 56 LYS QB 1 57 GLU H 3.100 . 4.300 3.262 1.803 4.041 0.097 35 0 "[ . 1 . 2 . 3 .]" 1
1076 1 56 LYS QB 1 57 GLU H 3.000 . 4.200 2.796 1.799 3.493 0.001 35 0 "[ . 1 . 2 . 3 .]" 1
1077 1 56 LYS QB 1 58 SER H 4.000 . 6.000 4.369 2.288 6.072 0.072 18 0 "[ . 1 . 2 . 3 .]" 1
1078 1 57 GLU H 1 57 GLU QG 3.100 . 4.300 3.285 1.894 4.454 0.154 2 0 "[ . 1 . 2 . 3 .]" 1
1079 1 57 GLU H 1 58 SER H 2.400 . 3.100 2.529 1.765 3.317 0.217 13 0 "[ . 1 . 2 . 3 .]" 1
1080 1 57 GLU HA 1 58 SER H 2.800 . 3.800 3.326 2.312 3.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 57 GLU QB 1 58 SER H 3.500 . 5.000 3.013 1.910 4.000 0.090 3 0 "[ . 1 . 2 . 3 .]" 1
1082 1 57 GLU QG 1 58 SER H 4.800 . 6.000 3.759 1.969 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
1083 1 58 SER H 1 58 SER HA 2.400 . 3.100 2.796 2.246 2.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 58 SER H 1 58 SER QB 2.600 . 3.400 2.763 2.209 3.403 0.003 32 0 "[ . 1 . 2 . 3 .]" 1
1085 1 58 SER H 1 59 LYS QG 5.100 . 6.000 4.247 2.460 5.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 58 SER HA 1 58 SER QB 2.300 . 3.000 2.299 2.173 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 58 SER HA 1 59 LYS H 2.900 . 4.000 2.895 2.135 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 58 SER QB 1 59 LYS H 3.600 . 5.200 3.431 2.048 4.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 58 SER QB 1 60 GLU H 4.300 . 6.000 4.532 2.831 5.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 59 LYS H 1 59 LYS HA 2.800 . 3.800 2.838 2.248 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
1091 1 59 LYS H 1 59 LYS HB2 3.100 . 4.300 3.110 2.370 4.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
1092 1 59 LYS H 1 59 LYS QG 2.600 . 3.400 2.558 1.818 3.436 0.036 3 0 "[ . 1 . 2 . 3 .]" 1
1093 1 59 LYS H 1 60 GLU H 2.500 . 3.300 2.513 1.634 3.456 0.156 12 0 "[ . 1 . 2 . 3 .]" 1
1094 1 59 LYS H 1 60 GLU HB3 3.900 . 5.800 5.494 4.133 6.666 0.866 22 5 "[* * . 1 .- 2 + . 3 * .]" 1
1095 1 59 LYS HA 1 59 LYS HB3 2.800 . 3.800 2.465 2.244 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 59 LYS HA 1 60 GLU H 2.600 . 3.400 2.533 1.995 2.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 59 LYS HB2 1 60 GLU H 3.800 . 5.600 3.526 2.106 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 59 LYS QG 1 60 GLU H 4.600 . 6.000 3.753 1.970 4.666 0.030 21 0 "[ . 1 . 2 . 3 .]" 1
1099 1 60 GLU H 1 60 GLU HB2 2.900 . 4.000 2.909 2.290 3.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 60 GLU H 1 60 GLU QG 3.700 . 5.500 3.477 1.981 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 60 GLU H 1 61 THR H 3.000 . 4.100 3.330 2.217 4.231 0.131 5 0 "[ . 1 . 2 . 3 .]" 1
1102 1 60 GLU HA 1 60 GLU QG 3.200 . 4.500 2.397 2.129 2.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 60 GLU HA 1 61 THR H 2.500 . 3.300 2.407 1.963 2.798 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 60 GLU HA 1 61 THR H 2.300 . 3.000 2.234 1.851 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 60 GLU HB3 1 61 THR H 3.800 . 5.600 3.303 1.739 4.514 0.261 4 0 "[ . 1 . 2 . 3 .]" 1
1106 1 60 GLU QG 1 61 THR H 4.000 . 6.000 3.914 2.378 4.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 61 THR H 1 61 THR HB 2.900 . 3.900 3.251 2.572 4.024 0.124 6 0 "[ . 1 . 2 . 3 .]" 1
1108 1 61 THR H 1 61 THR MG 3.200 . 4.500 3.170 1.899 4.055 0.001 8 0 "[ . 1 . 2 . 3 .]" 1
1109 1 61 THR H 1 62 GLU H 2.500 . 3.300 2.577 1.651 3.538 0.238 25 0 "[ . 1 . 2 . 3 .]" 1
1110 1 61 THR HB 1 61 THR MG 2.200 . 2.800 2.134 2.126 2.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 61 THR MG 1 63 GLY H 4.100 . 6.000 4.925 2.304 6.081 0.081 35 0 "[ . 1 . 2 . 3 .]" 1
1112 1 62 GLU H 1 62 GLU HA 2.300 . 3.000 2.721 2.251 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 62 GLU H 1 62 GLU HB2 2.900 . 4.000 3.113 2.319 4.133 0.133 1 0 "[ . 1 . 2 . 3 .]" 1
1114 1 62 GLU H 1 62 GLU QG 3.400 . 4.800 3.351 1.951 4.579 0.049 21 0 "[ . 1 . 2 . 3 .]" 1
1115 1 62 GLU HA 1 62 GLU QG 3.000 . 4.200 2.370 2.123 2.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 62 GLU HA 1 63 GLY H 2.400 . 3.100 2.525 2.115 3.457 0.357 11 0 "[ . 1 . 2 . 3 .]" 1
1117 1 62 GLU HB3 1 63 GLY H 4.100 . 6.000 3.803 1.792 4.496 0.208 11 0 "[ . 1 . 2 . 3 .]" 1
1118 1 62 GLU QG 1 63 GLY H 5.000 . 6.000 3.802 2.129 4.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 63 GLY H 1 64 LYS H 3.000 . 4.100 3.304 1.910 4.340 0.240 14 0 "[ . 1 . 2 . 3 .]" 1
1120 1 63 GLY QA 1 64 LYS H 2.800 . 3.800 2.412 2.046 2.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
1121 1 64 LYS H 1 64 LYS HB2 3.000 . 4.100 3.308 2.475 4.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 64 LYS H 1 64 LYS QG 3.700 . 5.400 3.347 1.947 4.562 0.053 19 0 "[ . 1 . 2 . 3 .]" 1
1123 1 64 LYS H 1 65 ASP H 3.300 . 4.700 3.561 2.065 4.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 64 LYS HA 1 64 LYS QG 2.800 . 3.800 2.846 2.271 3.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 64 LYS HA 1 65 ASP H 2.700 . 3.600 2.744 2.098 3.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 64 LYS HB3 1 65 ASP H 3.900 . 5.800 3.756 2.162 4.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 65 ASP H 1 65 ASP HA 2.500 . 3.300 2.383 1.946 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 65 ASP H 1 65 ASP QB 3.500 . 4.600 2.689 2.224 3.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 65 ASP HA 1 66 GLU H 2.900 . 3.900 2.809 2.104 3.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 65 ASP HA 1 69 ASN QB 2.900 . 3.900 2.816 1.490 3.887 0.410 20 0 "[ . 1 . 2 . 3 .]" 1
1131 1 65 ASP QB 1 68 ALA H 3.900 . 5.800 4.705 2.976 5.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 66 GLU H 1 66 GLU QB 3.200 . 4.500 2.692 2.129 3.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 66 GLU H 1 66 GLU QG 3.300 . 4.700 3.473 1.951 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 66 GLU HA 1 66 GLU QG 3.000 . 4.200 2.637 2.252 3.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 67 LYS H 1 67 LYS QG 3.600 . 5.200 3.386 1.877 4.494 0.123 23 0 "[ . 1 . 2 . 3 .]" 1
1136 1 67 LYS HA 1 68 ALA H 2.800 . 3.800 2.547 1.946 2.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 67 LYS QB 1 68 ALA H 4.100 . 6.000 3.103 1.887 3.975 0.113 27 0 "[ . 1 . 2 . 3 .]" 1
1138 1 68 ALA H 1 68 ALA MB 3.000 . 4.100 2.638 2.133 2.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 68 ALA HA 1 69 ASN H 3.200 . 4.400 2.848 2.110 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 68 ALA MB 1 69 ASN H 4.500 . 6.000 3.004 1.888 3.721 0.112 22 0 "[ . 1 . 2 . 3 .]" 1
1141 1 69 ASN H 1 69 ASN QB 3.700 . 4.300 2.606 2.248 3.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 69 ASN HA 1 69 ASN QB 3.000 . 4.100 2.343 2.178 2.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 69 ASN QB 1 69 ASN HD21 3.900 . 5.800 2.221 2.136 2.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 70 THR H 1 70 THR MG 4.900 . 6.000 3.273 2.112 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 70 THR HA 1 71 THR H 3.800 . 5.600 2.792 2.089 3.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 70 THR HB 1 70 THR MG 2.300 . 3.000 2.136 2.127 2.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 71 THR HB 1 71 THR MG 2.200 . 2.800 2.135 2.129 2.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
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