NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
369712 |
1bf9   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bf9
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 431
_Distance_constraint_stats_list.Viol_count 1345
_Distance_constraint_stats_list.Viol_total 1022.560
_Distance_constraint_stats_list.Viol_max 0.594
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0331
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLY 0.101 0.035 11 0 "[ . 1 . 2 ]"
1 4 ASP 1.567 0.183 16 0 "[ . 1 . 2 ]"
1 5 GLN 7.091 0.183 16 0 "[ . 1 . 2 ]"
1 6 CYS 0.812 0.109 21 0 "[ . 1 . 2 ]"
1 7 ALA 0.107 0.040 8 0 "[ . 1 . 2 ]"
1 8 SER 0.015 0.007 14 0 "[ . 1 . 2 ]"
1 9 SER 0.003 0.003 22 0 "[ . 1 . 2 ]"
1 10 PRO 0.834 0.174 12 0 "[ . 1 . 2 ]"
1 11 CYS 1.102 0.096 18 0 "[ . 1 . 2 ]"
1 12 GLN 4.145 0.198 18 0 "[ . 1 . 2 ]"
1 13 ASN 1.580 0.065 2 0 "[ . 1 . 2 ]"
1 14 GLY 0.415 0.039 18 0 "[ . 1 . 2 ]"
1 15 GLY 2.471 0.198 18 0 "[ . 1 . 2 ]"
1 16 SER 0.612 0.075 18 0 "[ . 1 . 2 ]"
1 17 CYS 0.613 0.075 18 0 "[ . 1 . 2 ]"
1 18 LYS 3.724 0.117 10 0 "[ . 1 . 2 ]"
1 19 ASP 0.602 0.072 13 0 "[ . 1 . 2 ]"
1 20 GLN 5.401 0.594 2 2 "[ + . - . 2 ]"
1 21 LEU 3.803 0.199 12 0 "[ . 1 . 2 ]"
1 22 GLN 3.866 0.199 12 0 "[ . 1 . 2 ]"
1 23 SER 0.435 0.062 18 0 "[ . 1 . 2 ]"
1 24 TYR 3.007 0.097 9 0 "[ . 1 . 2 ]"
1 25 ILE 6.987 0.594 2 2 "[ + . - . 2 ]"
1 26 CYS 9.064 0.195 19 0 "[ . 1 . 2 ]"
1 27 PHE 2.078 0.195 19 0 "[ . 1 . 2 ]"
1 28 CYS 1.751 0.102 19 0 "[ . 1 . 2 ]"
1 29 LEU 1.443 0.074 2 0 "[ . 1 . 2 ]"
1 30 PRO 0.858 0.048 15 0 "[ . 1 . 2 ]"
1 31 ALA 1.793 0.074 2 0 "[ . 1 . 2 ]"
1 32 PHE 2.832 0.066 10 0 "[ . 1 . 2 ]"
1 33 GLU 0.497 0.052 2 0 "[ . 1 . 2 ]"
1 34 GLY 0.206 0.036 3 0 "[ . 1 . 2 ]"
1 35 ARG 0.121 0.026 12 0 "[ . 1 . 2 ]"
1 36 ASN 1.512 0.184 3 0 "[ . 1 . 2 ]"
1 37 CYS 0.692 0.066 10 0 "[ . 1 . 2 ]"
1 38 GLU 0.748 0.041 14 0 "[ . 1 . 2 ]"
1 39 THR 0.934 0.052 2 0 "[ . 1 . 2 ]"
1 40 HIS 0.269 0.026 3 0 "[ . 1 . 2 ]"
1 41 LYS 0.500 0.056 2 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 GLY H 3.330 . 3.660 2.815 2.216 3.592 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 GLY H 1 4 ASP H 3.200 . 3.520 2.515 1.871 3.527 0.007 6 0 "[ . 1 . 2 ]" 1
3 1 3 GLY H 1 4 ASP QB 3.890 . 4.280 3.919 3.082 4.315 0.035 11 0 "[ . 1 . 2 ]" 1
4 1 3 GLY QA 1 4 ASP H 4.500 . 4.950 2.585 2.167 2.921 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 ASP H 1 4 ASP QB 2.760 . 3.040 2.599 1.983 3.114 0.074 16 0 "[ . 1 . 2 ]" 1
6 1 4 ASP H 1 5 GLN H 3.330 . 3.660 2.861 1.869 3.828 0.168 7 0 "[ . 1 . 2 ]" 1
7 1 4 ASP HA 1 5 GLN H 3.820 . 4.200 3.289 2.134 3.582 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 ASP QB 1 5 GLN H 3.000 . 3.300 2.588 1.798 3.483 0.183 16 0 "[ . 1 . 2 ]" 1
9 1 4 ASP QB 1 6 CYS H 4.380 . 4.820 4.053 2.787 4.912 0.092 21 0 "[ . 1 . 2 ]" 1
10 1 4 ASP QB 1 7 ALA MB 2.910 . 3.500 3.068 1.841 3.538 0.038 4 0 "[ . 1 . 2 ]" 1
11 1 5 GLN H 1 5 GLN HA 2.950 . 3.250 2.764 2.320 2.999 . 0 0 "[ . 1 . 2 ]" 1
12 1 5 GLN H 1 5 GLN HB2 2.850 . 3.140 2.726 2.203 3.256 0.116 3 0 "[ . 1 . 2 ]" 1
13 1 5 GLN H 1 5 GLN HB3 3.740 . 4.110 3.733 3.496 4.103 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 GLN H 1 5 GLN HE22 4.500 . 4.950 4.365 3.085 5.060 0.110 13 0 "[ . 1 . 2 ]" 1
15 1 5 GLN H 1 5 GLN QG 2.830 . 3.110 2.520 1.817 3.223 0.113 12 0 "[ . 1 . 2 ]" 1
16 1 5 GLN H 1 6 CYS H 4.130 . 4.540 2.923 2.119 4.144 . 0 0 "[ . 1 . 2 ]" 1
17 1 5 GLN HA 1 5 GLN HB2 2.630 . 2.890 3.003 2.917 3.020 0.130 5 0 "[ . 1 . 2 ]" 1
18 1 5 GLN HA 1 5 GLN HB3 2.730 . 3.000 2.491 2.346 2.759 . 0 0 "[ . 1 . 2 ]" 1
19 1 5 GLN HA 1 5 GLN HE21 4.500 . 4.950 3.602 1.854 4.867 . 0 0 "[ . 1 . 2 ]" 1
20 1 5 GLN HA 1 5 GLN QG 2.940 . 3.230 2.158 1.855 2.331 . 0 0 "[ . 1 . 2 ]" 1
21 1 5 GLN HA 1 24 TYR QR 3.700 . 4.070 3.638 2.666 4.101 0.031 13 0 "[ . 1 . 2 ]" 1
22 1 5 GLN HB2 1 5 GLN HE22 4.240 . 4.660 3.797 3.150 4.792 0.132 4 0 "[ . 1 . 2 ]" 1
23 1 5 GLN HB2 1 6 CYS H 3.040 . 3.340 2.251 1.904 3.284 . 0 0 "[ . 1 . 2 ]" 1
24 1 5 GLN HB2 1 24 TYR HB2 3.080 . 3.390 3.388 3.022 3.479 0.089 17 0 "[ . 1 . 2 ]" 1
25 1 5 GLN HB2 1 24 TYR HB3 2.610 . 2.870 2.483 2.018 2.866 . 0 0 "[ . 1 . 2 ]" 1
26 1 5 GLN HB2 1 24 TYR QD 3.270 . 3.600 3.565 3.078 3.677 0.077 8 0 "[ . 1 . 2 ]" 1
27 1 5 GLN HB3 1 5 GLN HE21 3.770 . 4.150 2.990 1.868 4.017 . 0 0 "[ . 1 . 2 ]" 1
28 1 5 GLN HB3 1 6 CYS H 3.040 . 3.340 3.249 2.393 3.449 0.109 21 0 "[ . 1 . 2 ]" 1
29 1 5 GLN HB3 1 24 TYR HB3 2.500 . 2.750 1.967 1.774 2.353 0.026 17 0 "[ . 1 . 2 ]" 1
30 1 5 GLN HB3 1 24 TYR HA 4.500 . 4.950 4.577 4.276 4.969 0.019 21 0 "[ . 1 . 2 ]" 1
31 1 5 GLN HB3 1 24 TYR HB2 4.500 . 4.950 2.953 2.534 3.349 . 0 0 "[ . 1 . 2 ]" 1
32 1 5 GLN HB3 1 24 TYR QD 3.030 . 3.330 2.446 2.021 2.807 . 0 0 "[ . 1 . 2 ]" 1
33 1 5 GLN HE21 1 5 GLN QG 3.060 . 3.370 2.719 2.287 2.938 . 0 0 "[ . 1 . 2 ]" 1
34 1 5 GLN QG 1 6 CYS H 4.500 . 4.950 3.964 3.372 4.551 . 0 0 "[ . 1 . 2 ]" 1
35 1 5 GLN QG 1 24 TYR QD 3.290 . 3.620 2.057 1.781 2.905 0.019 8 0 "[ . 1 . 2 ]" 1
36 1 6 CYS H 1 6 CYS HA 2.880 . 3.170 2.931 2.916 2.960 . 0 0 "[ . 1 . 2 ]" 1
37 1 6 CYS H 1 6 CYS QB 2.760 . 3.040 2.170 1.986 2.594 . 0 0 "[ . 1 . 2 ]" 1
38 1 6 CYS HA 1 6 CYS QB 2.580 . 2.840 2.412 2.203 2.538 . 0 0 "[ . 1 . 2 ]" 1
39 1 6 CYS HA 1 7 ALA H 3.450 . 3.800 2.942 2.279 3.431 . 0 0 "[ . 1 . 2 ]" 1
40 1 6 CYS HA 1 8 SER H 4.380 . 4.820 3.764 2.985 4.818 . 0 0 "[ . 1 . 2 ]" 1
41 1 6 CYS HA 1 9 SER H 4.500 . 4.950 3.435 2.905 4.398 . 0 0 "[ . 1 . 2 ]" 1
42 1 6 CYS HA 1 10 PRO QD 2.580 . 2.840 2.151 1.835 2.824 . 0 0 "[ . 1 . 2 ]" 1
43 1 6 CYS HA 1 10 PRO QG 4.040 . 4.440 2.720 1.853 3.835 . 0 0 "[ . 1 . 2 ]" 1
44 1 6 CYS QB 1 7 ALA H 3.660 . 4.030 3.685 3.086 4.070 0.040 8 0 "[ . 1 . 2 ]" 1
45 1 7 ALA H 1 7 ALA HA 2.900 . 3.190 2.931 2.821 2.983 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 ALA H 1 7 ALA MB 2.530 . 3.080 2.096 1.915 2.262 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 ALA H 1 8 SER H 3.070 . 3.380 2.538 2.154 2.918 . 0 0 "[ . 1 . 2 ]" 1
48 1 7 ALA H 1 10 PRO QD 3.870 . 4.260 3.279 2.767 3.624 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 ALA HA 1 7 ALA MB 2.400 . 2.940 2.136 2.115 2.157 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 ALA HA 1 8 SER H 3.540 . 3.890 3.461 3.014 3.590 . 0 0 "[ . 1 . 2 ]" 1
51 1 7 ALA MB 1 8 SER H 3.180 . 3.800 2.742 1.947 3.591 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 SER H 1 8 SER QB 3.240 . 3.560 2.527 2.093 3.191 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 SER H 1 9 SER H 2.860 . 3.150 2.350 1.937 3.153 0.003 22 0 "[ . 1 . 2 ]" 1
54 1 8 SER H 1 10 PRO QD 3.380 . 3.720 3.123 2.342 3.727 0.007 14 0 "[ . 1 . 2 ]" 1
55 1 8 SER HA 1 9 SER H 4.500 . 4.950 3.158 2.693 3.405 . 0 0 "[ . 1 . 2 ]" 1
56 1 9 SER H 1 9 SER HA 2.320 . 2.550 2.368 2.363 2.377 . 0 0 "[ . 1 . 2 ]" 1
57 1 9 SER H 1 9 SER QB 3.180 . 3.500 3.019 2.757 3.454 . 0 0 "[ . 1 . 2 ]" 1
58 1 9 SER H 1 10 PRO QD 2.850 . 3.140 2.432 2.087 2.772 . 0 0 "[ . 1 . 2 ]" 1
59 1 9 SER HA 1 10 PRO QD 2.270 . 2.500 2.100 1.915 2.259 . 0 0 "[ . 1 . 2 ]" 1
60 1 10 PRO HA 1 10 PRO HB3 2.720 . 2.990 2.305 2.283 2.323 . 0 0 "[ . 1 . 2 ]" 1
61 1 10 PRO HA 1 10 PRO QD 3.330 . 3.660 3.398 3.267 3.493 . 0 0 "[ . 1 . 2 ]" 1
62 1 10 PRO HA 1 11 CYS H 3.410 . 3.750 3.444 3.308 3.593 . 0 0 "[ . 1 . 2 ]" 1
63 1 10 PRO HB2 1 11 CYS H 4.260 . 4.690 3.370 2.128 3.986 . 0 0 "[ . 1 . 2 ]" 1
64 1 10 PRO HB2 1 24 TYR QE 3.250 . 3.580 2.597 2.060 3.584 0.004 19 0 "[ . 1 . 2 ]" 1
65 1 10 PRO HB2 1 36 ASN HD21 4.150 . 4.570 3.532 1.880 4.590 0.020 12 0 "[ . 1 . 2 ]" 1
66 1 10 PRO HB2 1 36 ASN HD22 3.770 . 4.150 3.282 2.103 4.152 0.002 1 0 "[ . 1 . 2 ]" 1
67 1 10 PRO HB3 1 10 PRO QD 3.040 . 3.340 3.041 2.986 3.514 0.174 12 0 "[ . 1 . 2 ]" 1
68 1 10 PRO HB3 1 11 CYS H 4.410 . 4.850 4.208 3.650 4.513 . 0 0 "[ . 1 . 2 ]" 1
69 1 10 PRO HB3 1 24 TYR QE 3.280 . 3.610 3.288 1.983 3.643 0.033 8 0 "[ . 1 . 2 ]" 1
70 1 10 PRO QD 1 17 CYS QB 2.360 . 2.600 2.399 1.788 2.637 0.037 21 0 "[ . 1 . 2 ]" 1
71 1 10 PRO QD 1 24 TYR QE 4.500 . 4.950 4.725 4.130 4.958 0.008 10 0 "[ . 1 . 2 ]" 1
72 1 10 PRO QG 1 11 CYS H 3.030 . 3.330 2.847 1.948 3.348 0.018 18 0 "[ . 1 . 2 ]" 1
73 1 10 PRO QG 1 24 TYR HB2 4.500 . 4.950 4.095 3.422 4.735 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 PRO QG 1 24 TYR QR 3.180 . 3.500 2.550 2.132 2.848 . 0 0 "[ . 1 . 2 ]" 1
75 1 11 CYS H 1 11 CYS HB2 2.740 . 3.010 2.397 1.988 2.721 . 0 0 "[ . 1 . 2 ]" 1
76 1 11 CYS H 1 11 CYS HB3 3.900 . 4.290 3.370 2.949 3.710 . 0 0 "[ . 1 . 2 ]" 1
77 1 11 CYS H 1 17 CYS QB 4.060 . 4.470 3.279 2.204 4.060 . 0 0 "[ . 1 . 2 ]" 1
78 1 11 CYS HA 1 11 CYS HB2 2.900 . 3.190 2.901 2.685 3.032 . 0 0 "[ . 1 . 2 ]" 1
79 1 11 CYS HA 1 12 GLN H 2.330 . 2.560 2.424 2.287 2.567 0.007 10 0 "[ . 1 . 2 ]" 1
80 1 11 CYS HA 1 26 CYS HB3 4.500 . 4.950 3.562 2.528 5.000 0.050 18 0 "[ . 1 . 2 ]" 1
81 1 11 CYS HA 1 36 ASN HA 4.060 . 4.470 2.491 1.892 3.489 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 CYS HA 1 36 ASN QB 3.640 . 4.000 3.290 2.578 4.010 0.010 6 0 "[ . 1 . 2 ]" 1
83 1 11 CYS HB2 1 12 GLN H 3.920 . 4.310 3.740 3.196 4.344 0.034 19 0 "[ . 1 . 2 ]" 1
84 1 11 CYS HB2 1 15 GLY HA3 4.500 . 4.950 3.981 3.595 4.297 . 0 0 "[ . 1 . 2 ]" 1
85 1 11 CYS HB2 1 26 CYS HB2 4.500 . 4.950 3.708 1.835 4.979 0.029 9 0 "[ . 1 . 2 ]" 1
86 1 11 CYS HB3 1 12 GLN H 3.350 . 3.690 2.996 2.506 3.558 . 0 0 "[ . 1 . 2 ]" 1
87 1 11 CYS HB3 1 15 GLY HA2 4.500 . 4.950 4.472 4.257 4.894 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 CYS HB3 1 15 GLY HA3 2.810 . 3.090 3.067 2.761 3.165 0.075 20 0 "[ . 1 . 2 ]" 1
89 1 11 CYS HB3 1 26 CYS HA 4.500 . 4.950 4.419 3.944 5.046 0.096 18 0 "[ . 1 . 2 ]" 1
90 1 11 CYS HB3 1 26 CYS HB2 4.500 . 4.950 3.409 3.074 3.694 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 GLN H 1 12 GLN HA 2.660 . 2.930 2.984 2.975 2.994 0.064 10 0 "[ . 1 . 2 ]" 1
92 1 12 GLN H 1 12 GLN QG 2.610 . 2.870 2.900 2.873 2.941 0.071 18 0 "[ . 1 . 2 ]" 1
93 1 12 GLN H 1 15 GLY H 3.370 . 3.710 3.734 3.599 3.908 0.198 18 0 "[ . 1 . 2 ]" 1
94 1 12 GLN H 1 36 ASN HA 3.730 . 4.100 3.673 3.285 4.147 0.047 10 0 "[ . 1 . 2 ]" 1
95 1 12 GLN H 1 37 CYS QB 2.860 . 3.150 2.630 1.860 3.195 0.045 13 0 "[ . 1 . 2 ]" 1
96 1 12 GLN HA 1 12 GLN HB2 2.840 . 3.120 3.033 3.029 3.037 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 GLN HA 1 12 GLN HB3 2.500 . 2.750 2.503 2.475 2.528 . 0 0 "[ . 1 . 2 ]" 1
98 1 12 GLN HA 1 12 GLN HE21 4.500 . 4.950 4.619 4.166 4.974 0.024 22 0 "[ . 1 . 2 ]" 1
99 1 12 GLN HA 1 13 ASN H 2.460 . 2.710 2.589 2.484 2.700 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 GLN HA 1 14 GLY H 3.750 . 4.130 3.646 3.381 4.132 0.002 11 0 "[ . 1 . 2 ]" 1
101 1 12 GLN HB2 1 12 GLN QG 2.290 . 2.520 2.426 2.334 2.529 0.009 18 0 "[ . 1 . 2 ]" 1
102 1 12 GLN HB2 1 13 ASN H 3.300 . 3.630 3.396 3.127 3.636 0.006 1 0 "[ . 1 . 2 ]" 1
103 1 12 GLN HB2 1 13 ASN HD22 3.540 . 3.890 3.633 2.815 3.930 0.040 21 0 "[ . 1 . 2 ]" 1
104 1 12 GLN HB2 1 37 CYS QB 4.500 . 4.950 2.553 1.853 4.354 . 0 0 "[ . 1 . 2 ]" 1
105 1 12 GLN HB3 1 13 ASN H 2.570 . 2.830 2.246 2.024 2.446 . 0 0 "[ . 1 . 2 ]" 1
106 1 12 GLN HB3 1 13 ASN HD22 3.400 . 3.740 3.635 2.867 3.783 0.043 16 0 "[ . 1 . 2 ]" 1
107 1 12 GLN HE21 1 12 GLN QG 2.970 . 3.270 2.603 2.213 2.914 . 0 0 "[ . 1 . 2 ]" 1
108 1 12 GLN HE21 1 36 ASN QB 4.460 . 4.910 2.873 1.860 4.866 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 GLN HE22 1 12 GLN QG 3.570 . 3.930 3.430 3.274 3.534 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 GLN HE22 1 38 GLU HB2 3.730 . 4.100 3.138 1.875 3.641 . 0 0 "[ . 1 . 2 ]" 1
111 1 12 GLN HE22 1 38 GLU HB3 4.500 . 4.950 4.672 3.609 4.967 0.017 18 0 "[ . 1 . 2 ]" 1
112 1 12 GLN QG 1 13 ASN H 3.440 . 3.780 3.814 3.783 3.845 0.065 2 0 "[ . 1 . 2 ]" 1
113 1 13 ASN H 1 13 ASN QB 3.740 . 4.110 3.286 3.164 3.407 . 0 0 "[ . 1 . 2 ]" 1
114 1 13 ASN H 1 13 ASN HD21 3.940 . 4.330 3.840 3.216 4.332 0.002 9 0 "[ . 1 . 2 ]" 1
115 1 13 ASN H 1 14 GLY H 3.310 . 3.640 2.879 2.701 3.219 . 0 0 "[ . 1 . 2 ]" 1
116 1 13 ASN HA 1 13 ASN QB 2.490 . 2.740 2.354 2.262 2.419 . 0 0 "[ . 1 . 2 ]" 1
117 1 13 ASN HA 1 13 ASN HD21 4.500 . 4.950 3.930 2.646 4.530 . 0 0 "[ . 1 . 2 ]" 1
118 1 13 ASN HA 1 13 ASN HD22 4.500 . 4.950 4.404 3.919 4.739 . 0 0 "[ . 1 . 2 ]" 1
119 1 13 ASN HA 1 14 GLY H 2.600 . 2.860 2.832 2.626 2.899 0.039 18 0 "[ . 1 . 2 ]" 1
120 1 13 ASN QB 1 13 ASN HD21 2.570 . 2.830 2.265 2.213 2.472 . 0 0 "[ . 1 . 2 ]" 1
121 1 13 ASN QB 1 13 ASN HD22 3.310 . 3.640 3.318 3.281 3.401 . 0 0 "[ . 1 . 2 ]" 1
122 1 13 ASN QB 1 14 GLY H 3.610 . 3.970 3.862 3.794 3.931 . 0 0 "[ . 1 . 2 ]" 1
123 1 13 ASN QB 1 15 GLY HA3 4.500 . 4.950 3.811 3.397 4.174 . 0 0 "[ . 1 . 2 ]" 1
124 1 13 ASN QB 1 32 PHE HB3 4.500 . 4.950 3.769 3.263 4.446 . 0 0 "[ . 1 . 2 ]" 1
125 1 13 ASN QB 1 37 CYS QB 4.500 . 4.950 2.497 1.790 4.592 0.010 6 0 "[ . 1 . 2 ]" 1
126 1 13 ASN HD21 1 32 PHE QD 3.060 . 3.370 3.346 2.791 3.397 0.027 16 0 "[ . 1 . 2 ]" 1
127 1 14 GLY H 1 14 GLY QA 2.510 . 2.760 2.246 2.233 2.269 . 0 0 "[ . 1 . 2 ]" 1
128 1 14 GLY H 1 15 GLY H 3.010 . 3.310 2.712 2.481 3.145 . 0 0 "[ . 1 . 2 ]" 1
129 1 14 GLY QA 1 15 GLY H 3.530 . 3.880 2.817 2.604 2.925 . 0 0 "[ . 1 . 2 ]" 1
130 1 14 GLY QA 1 29 LEU MD1 3.160 . 3.400 3.109 2.363 3.427 0.027 13 0 "[ . 1 . 2 ]" 1
131 1 14 GLY QA 1 29 LEU HG 4.500 . 4.950 4.711 4.144 4.964 0.014 2 0 "[ . 1 . 2 ]" 1
132 1 15 GLY H 1 15 GLY HA3 2.710 . 2.980 2.401 2.360 2.487 . 0 0 "[ . 1 . 2 ]" 1
133 1 15 GLY HA2 1 16 SER H 2.520 . 2.770 2.313 2.238 2.513 . 0 0 "[ . 1 . 2 ]" 1
134 1 15 GLY HA2 1 29 LEU HG 3.220 . 3.540 3.444 3.055 3.611 0.071 18 0 "[ . 1 . 2 ]" 1
135 1 15 GLY HA3 1 16 SER H 2.810 . 3.090 2.992 2.689 3.151 0.061 18 0 "[ . 1 . 2 ]" 1
136 1 15 GLY HA3 1 16 SER HA 4.500 . 4.950 2.365 2.001 2.712 . 0 0 "[ . 1 . 2 ]" 1
137 1 15 GLY HA3 1 28 CYS HB2 4.500 . 4.950 4.736 3.456 5.052 0.102 19 0 "[ . 1 . 2 ]" 1
138 1 15 GLY HA3 1 29 LEU HG 4.500 . 4.950 4.648 4.384 4.938 . 0 0 "[ . 1 . 2 ]" 1
139 1 16 SER H 1 16 SER QB 2.830 . 3.110 2.228 1.963 2.634 . 0 0 "[ . 1 . 2 ]" 1
140 1 16 SER H 1 17 CYS H 3.460 . 3.810 3.640 2.011 3.844 0.034 4 0 "[ . 1 . 2 ]" 1
141 1 16 SER H 1 27 PHE H 3.100 . 3.410 3.152 2.640 3.421 0.011 18 0 "[ . 1 . 2 ]" 1
142 1 16 SER H 1 27 PHE HB2 3.270 . 3.600 3.439 2.914 3.624 0.024 18 0 "[ . 1 . 2 ]" 1
143 1 16 SER H 1 27 PHE HB3 4.500 . 4.950 4.347 3.613 4.783 . 0 0 "[ . 1 . 2 ]" 1
144 1 16 SER QB 1 17 CYS H 3.090 . 3.400 2.865 2.110 3.475 0.075 18 0 "[ . 1 . 2 ]" 1
145 1 16 SER QB 1 27 PHE H 4.270 . 4.700 3.105 2.145 3.956 . 0 0 "[ . 1 . 2 ]" 1
146 1 16 SER QB 1 27 PHE HB2 2.650 . 2.920 2.499 1.798 2.932 0.012 13 0 "[ . 1 . 2 ]" 1
147 1 16 SER QB 1 27 PHE HB3 4.500 . 4.950 3.832 2.879 4.446 . 0 0 "[ . 1 . 2 ]" 1
148 1 16 SER QB 1 27 PHE QD 3.600 . 3.960 3.662 2.873 3.983 0.023 2 0 "[ . 1 . 2 ]" 1
149 1 16 SER O 1 27 PHE H 2.000 . 2.300 2.182 2.073 2.332 0.032 21 0 "[ . 1 . 2 ]" 1
150 1 16 SER O 1 27 PHE N 3.000 2.700 3.300 2.982 2.835 3.168 . 0 0 "[ . 1 . 2 ]" 1
151 1 17 CYS H 1 17 CYS QB 2.940 . 3.230 2.618 2.164 3.070 . 0 0 "[ . 1 . 2 ]" 1
152 1 17 CYS HA 1 17 CYS QB 2.330 . 2.560 2.288 2.189 2.494 . 0 0 "[ . 1 . 2 ]" 1
153 1 17 CYS HA 1 18 LYS H 2.360 . 2.600 2.229 2.177 2.271 . 0 0 "[ . 1 . 2 ]" 1
154 1 17 CYS HA 1 26 CYS HA 2.590 . 2.850 2.054 1.830 2.362 . 0 0 "[ . 1 . 2 ]" 1
155 1 17 CYS HA 1 26 CYS HB3 4.500 . 4.950 3.750 3.271 4.271 . 0 0 "[ . 1 . 2 ]" 1
156 1 17 CYS HA 1 27 PHE H 4.500 . 4.950 3.664 3.285 4.144 . 0 0 "[ . 1 . 2 ]" 1
157 1 17 CYS QB 1 18 LYS H 4.500 . 4.950 3.451 3.054 3.882 . 0 0 "[ . 1 . 2 ]" 1
158 1 17 CYS QB 1 24 TYR QR 4.030 . 4.430 3.844 3.153 4.333 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 LYS H 1 18 LYS QB 2.770 . 3.050 2.290 2.202 2.365 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 LYS H 1 18 LYS QD 3.960 . 4.360 4.353 4.234 4.398 0.038 3 0 "[ . 1 . 2 ]" 1
161 1 18 LYS H 1 18 LYS QG 3.780 . 4.160 3.991 3.786 4.081 . 0 0 "[ . 1 . 2 ]" 1
162 1 18 LYS H 1 24 TYR HB2 3.770 . 4.150 3.963 3.612 4.170 0.020 10 0 "[ . 1 . 2 ]" 1
163 1 18 LYS H 1 24 TYR QD 4.360 . 4.800 4.157 3.735 4.576 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 LYS H 1 25 ILE H 2.910 . 3.200 3.099 2.806 3.278 0.078 16 0 "[ . 1 . 2 ]" 1
165 1 18 LYS H 1 25 ILE MG 4.050 . 4.760 3.942 3.326 4.359 . 0 0 "[ . 1 . 2 ]" 1
166 1 18 LYS H 1 25 ILE O 2.000 . 2.300 2.122 2.056 2.324 0.024 10 0 "[ . 1 . 2 ]" 1
167 1 18 LYS H 1 26 CYS HA 3.690 . 4.060 2.500 2.373 2.682 . 0 0 "[ . 1 . 2 ]" 1
168 1 18 LYS H 1 26 CYS HB3 4.310 . 4.740 4.796 4.761 4.857 0.117 10 0 "[ . 1 . 2 ]" 1
169 1 18 LYS HA 1 18 LYS QD 4.500 . 4.950 3.410 1.853 4.228 . 0 0 "[ . 1 . 2 ]" 1
170 1 18 LYS QB 1 18 LYS QG 2.260 . 2.490 2.071 2.028 2.108 . 0 0 "[ . 1 . 2 ]" 1
171 1 18 LYS QB 1 19 ASP H 3.300 . 3.630 3.622 3.498 3.702 0.072 13 0 "[ . 1 . 2 ]" 1
172 1 18 LYS QB 1 25 ILE MG 4.500 . 4.950 2.579 1.740 3.281 0.060 12 0 "[ . 1 . 2 ]" 1
173 1 18 LYS QB 1 27 PHE QR 2.920 . 3.210 2.146 1.798 2.866 0.002 9 0 "[ . 1 . 2 ]" 1
174 1 18 LYS QD 1 18 LYS QG 2.290 . 2.520 2.091 2.031 2.109 . 0 0 "[ . 1 . 2 ]" 1
175 1 18 LYS QD 1 19 ASP H 3.930 . 4.320 4.150 2.412 4.358 0.038 5 0 "[ . 1 . 2 ]" 1
176 1 18 LYS QD 1 24 TYR HA 4.500 . 4.950 3.790 3.489 4.009 . 0 0 "[ . 1 . 2 ]" 1
177 1 18 LYS QD 1 25 ILE MD 4.500 . 4.950 4.439 3.144 4.994 0.044 9 0 "[ . 1 . 2 ]" 1
178 1 18 LYS QD 1 27 PHE QE 3.170 . 3.490 2.231 1.814 3.505 0.015 9 0 "[ . 1 . 2 ]" 1
179 1 18 LYS QE 1 18 LYS QG 3.000 . 3.300 2.122 1.925 2.423 . 0 0 "[ . 1 . 2 ]" 1
180 1 18 LYS QG 1 19 ASP H 4.500 . 4.950 2.296 2.128 2.433 . 0 0 "[ . 1 . 2 ]" 1
181 1 18 LYS QG 1 20 GLN QG 2.620 . 2.880 2.870 2.569 2.928 0.048 19 0 "[ . 1 . 2 ]" 1
182 1 18 LYS QG 1 24 TYR HA 4.500 . 4.950 4.280 3.641 4.819 . 0 0 "[ . 1 . 2 ]" 1
183 1 18 LYS QG 1 27 PHE QE 3.130 . 3.440 3.051 2.297 3.452 0.012 13 0 "[ . 1 . 2 ]" 1
184 1 18 LYS N 1 25 ILE O 3.000 2.700 3.300 2.879 2.747 3.132 . 0 0 "[ . 1 . 2 ]" 1
185 1 18 LYS O 1 25 ILE H 2.000 . 2.300 2.291 2.097 2.363 0.063 21 0 "[ . 1 . 2 ]" 1
186 1 18 LYS O 1 25 ILE N 3.000 2.700 3.300 3.059 2.871 3.189 . 0 0 "[ . 1 . 2 ]" 1
187 1 19 ASP H 1 19 ASP QB 2.570 . 2.830 2.444 2.187 2.811 . 0 0 "[ . 1 . 2 ]" 1
188 1 19 ASP HA 1 24 TYR HA 4.500 . 4.950 2.878 2.388 3.192 . 0 0 "[ . 1 . 2 ]" 1
189 1 19 ASP HA 1 24 TYR HB2 3.530 . 3.880 3.017 2.595 3.395 . 0 0 "[ . 1 . 2 ]" 1
190 1 19 ASP QB 1 20 GLN H 4.500 . 4.950 3.742 3.376 4.000 . 0 0 "[ . 1 . 2 ]" 1
191 1 19 ASP QB 1 24 TYR HA 4.500 . 4.950 4.820 4.422 4.965 0.015 13 0 "[ . 1 . 2 ]" 1
192 1 20 GLN H 1 20 GLN QB 3.090 . 3.400 3.040 2.997 3.191 . 0 0 "[ . 1 . 2 ]" 1
193 1 20 GLN H 1 20 GLN QG 3.440 . 3.780 1.877 1.790 2.274 0.010 23 0 "[ . 1 . 2 ]" 1
194 1 20 GLN H 1 21 LEU H 4.100 . 4.510 4.324 2.631 4.561 0.051 19 0 "[ . 1 . 2 ]" 1
195 1 20 GLN H 1 23 SER H 3.630 . 3.990 3.790 3.548 4.052 0.062 18 0 "[ . 1 . 2 ]" 1
196 1 20 GLN H 1 23 SER O 2.000 . 2.300 2.081 2.063 2.159 . 0 0 "[ . 1 . 2 ]" 1
197 1 20 GLN H 1 24 TYR HA 2.800 . 3.080 2.277 1.860 2.636 . 0 0 "[ . 1 . 2 ]" 1
198 1 20 GLN H 1 24 TYR HB3 2.990 . 3.290 3.339 3.295 3.387 0.097 9 0 "[ . 1 . 2 ]" 1
199 1 20 GLN H 1 25 ILE H 4.220 . 4.640 4.168 3.647 4.541 . 0 0 "[ . 1 . 2 ]" 1
200 1 20 GLN HA 1 21 LEU H 2.720 . 2.990 2.617 2.336 3.012 0.022 22 0 "[ . 1 . 2 ]" 1
201 1 20 GLN QB 1 20 GLN HE22 3.590 . 3.950 3.650 3.311 4.089 0.139 13 0 "[ . 1 . 2 ]" 1
202 1 20 GLN QB 1 22 GLN H 4.500 . 4.950 2.871 2.172 4.556 . 0 0 "[ . 1 . 2 ]" 1
203 1 20 GLN QB 1 23 SER H 3.890 . 4.280 2.663 2.336 3.436 . 0 0 "[ . 1 . 2 ]" 1
204 1 20 GLN QB 1 23 SER QB 4.500 . 4.950 4.509 3.802 4.974 0.024 21 0 "[ . 1 . 2 ]" 1
205 1 20 GLN QB 1 24 TYR HA 4.500 . 4.950 3.949 3.786 4.122 . 0 0 "[ . 1 . 2 ]" 1
206 1 20 GLN HE21 1 25 ILE MD 3.430 . 4.070 3.546 2.122 4.664 0.594 2 2 "[ + . - . 2 ]" 1
207 1 20 GLN HE22 1 20 GLN QG 3.420 . 3.760 3.349 3.276 3.440 . 0 0 "[ . 1 . 2 ]" 1
208 1 20 GLN HE22 1 25 ILE MD 3.960 . 4.660 2.524 1.821 4.062 . 0 0 "[ . 1 . 2 ]" 1
209 1 20 GLN HE22 1 25 ILE MG 4.500 . 5.250 3.699 1.830 5.385 0.135 9 0 "[ . 1 . 2 ]" 1
210 1 20 GLN QG 1 24 TYR HA 4.500 . 4.950 1.849 1.777 2.064 0.023 21 0 "[ . 1 . 2 ]" 1
211 1 20 GLN QG 1 25 ILE MD 4.500 . 4.950 4.238 2.493 4.972 0.022 19 0 "[ . 1 . 2 ]" 1
212 1 20 GLN QG 1 25 ILE QG 4.500 . 4.950 4.317 3.397 4.999 0.049 18 0 "[ . 1 . 2 ]" 1
213 1 20 GLN QG 1 25 ILE MG 4.500 . 4.950 4.119 2.338 4.982 0.032 8 0 "[ . 1 . 2 ]" 1
214 1 20 GLN N 1 23 SER O 3.000 2.700 3.300 2.899 2.737 3.023 . 0 0 "[ . 1 . 2 ]" 1
215 1 21 LEU H 1 21 LEU QB 2.810 . 3.090 2.233 1.983 3.026 . 0 0 "[ . 1 . 2 ]" 1
216 1 21 LEU H 1 21 LEU QD 4.500 . 5.250 3.060 1.811 3.741 . 0 0 "[ . 1 . 2 ]" 1
217 1 21 LEU H 1 22 GLN H 3.530 . 3.880 2.843 2.230 4.025 0.145 22 0 "[ . 1 . 2 ]" 1
218 1 21 LEU HA 1 21 LEU QB 2.310 . 2.540 2.454 2.321 2.542 0.002 22 0 "[ . 1 . 2 ]" 1
219 1 21 LEU HA 1 21 LEU QD 2.500 . 3.050 2.628 1.818 2.965 . 0 0 "[ . 1 . 2 ]" 1
220 1 21 LEU HA 1 22 GLN H 3.010 . 3.310 3.445 3.363 3.509 0.199 12 0 "[ . 1 . 2 ]" 1
221 1 21 LEU QB 1 21 LEU QD 2.690 . 3.260 1.842 1.795 1.999 0.005 21 0 "[ . 1 . 2 ]" 1
222 1 21 LEU QB 1 22 GLN H 2.710 . 2.980 2.547 1.799 3.005 0.025 11 0 "[ . 1 . 2 ]" 1
223 1 22 GLN H 1 22 GLN QB 2.900 . 3.190 2.488 2.044 2.765 . 0 0 "[ . 1 . 2 ]" 1
224 1 22 GLN H 1 22 GLN QG 3.040 . 3.340 2.158 1.829 3.399 0.059 19 0 "[ . 1 . 2 ]" 1
225 1 22 GLN H 1 23 SER H 2.730 . 3.000 2.457 2.026 3.025 0.025 20 0 "[ . 1 . 2 ]" 1
226 1 22 GLN HA 1 23 SER H 3.220 . 3.540 3.489 2.987 3.565 0.025 22 0 "[ . 1 . 2 ]" 1
227 1 22 GLN QG 1 23 SER H 3.560 . 3.920 2.625 1.796 3.920 0.004 10 0 "[ . 1 . 2 ]" 1
228 1 23 SER H 1 23 SER QB 2.530 . 2.780 2.332 2.165 2.445 . 0 0 "[ . 1 . 2 ]" 1
229 1 23 SER HA 1 24 TYR H 4.500 . 4.950 3.113 2.638 3.380 . 0 0 "[ . 1 . 2 ]" 1
230 1 23 SER QB 1 23 SER HG 2.480 . 2.730 2.096 2.005 2.351 . 0 0 "[ . 1 . 2 ]" 1
231 1 23 SER QB 1 24 TYR H 3.040 . 3.340 2.011 1.795 2.958 0.005 7 0 "[ . 1 . 2 ]" 1
232 1 24 TYR H 1 24 TYR HB3 3.590 . 3.950 3.270 2.752 3.468 . 0 0 "[ . 1 . 2 ]" 1
233 1 24 TYR H 1 24 TYR QD 3.080 . 3.390 2.663 1.985 3.190 . 0 0 "[ . 1 . 2 ]" 1
234 1 24 TYR HA 1 24 TYR HB2 2.890 . 3.180 2.473 2.417 2.535 . 0 0 "[ . 1 . 2 ]" 1
235 1 24 TYR HA 1 24 TYR HB3 2.580 . 2.840 2.473 2.406 2.528 . 0 0 "[ . 1 . 2 ]" 1
236 1 24 TYR HA 1 25 ILE H 2.530 . 2.780 2.328 2.269 2.488 . 0 0 "[ . 1 . 2 ]" 1
237 1 24 TYR HB2 1 24 TYR QD 2.520 . 2.770 2.400 2.309 2.582 . 0 0 "[ . 1 . 2 ]" 1
238 1 24 TYR HB2 1 25 ILE H 2.770 . 3.050 2.953 2.472 3.088 0.038 23 0 "[ . 1 . 2 ]" 1
239 1 24 TYR HB3 1 24 TYR QD 2.510 . 2.760 2.437 2.315 2.579 . 0 0 "[ . 1 . 2 ]" 1
240 1 24 TYR HB3 1 25 ILE H 3.780 . 4.160 4.098 3.814 4.202 0.042 12 0 "[ . 1 . 2 ]" 1
241 1 24 TYR QD 1 25 ILE H 3.650 . 4.010 3.697 3.349 4.019 0.009 1 0 "[ . 1 . 2 ]" 1
242 1 24 TYR QD 1 26 CYS H 3.590 . 3.950 3.848 3.390 3.969 0.019 21 0 "[ . 1 . 2 ]" 1
243 1 25 ILE H 1 25 ILE HB 3.290 . 3.620 2.666 2.385 3.166 . 0 0 "[ . 1 . 2 ]" 1
244 1 25 ILE H 1 25 ILE MD 3.690 . 4.360 4.259 3.348 4.498 0.138 16 0 "[ . 1 . 2 ]" 1
245 1 25 ILE H 1 25 ILE QG 4.500 . 4.950 3.644 3.248 4.217 . 0 0 "[ . 1 . 2 ]" 1
246 1 25 ILE H 1 25 ILE MG 3.370 . 4.010 3.071 1.861 3.691 . 0 0 "[ . 1 . 2 ]" 1
247 1 25 ILE HA 1 25 ILE HB 2.960 . 3.260 2.826 2.465 3.006 . 0 0 "[ . 1 . 2 ]" 1
248 1 25 ILE HA 1 25 ILE MD 2.990 . 3.590 3.548 2.422 3.654 0.064 2 0 "[ . 1 . 2 ]" 1
249 1 25 ILE HA 1 25 ILE QG 2.820 . 3.100 2.174 2.016 2.505 . 0 0 "[ . 1 . 2 ]" 1
250 1 25 ILE HA 1 25 ILE MG 3.460 . 4.110 2.838 2.594 3.203 . 0 0 "[ . 1 . 2 ]" 1
251 1 25 ILE HA 1 26 CYS H 2.280 . 2.510 2.204 2.187 2.229 . 0 0 "[ . 1 . 2 ]" 1
252 1 25 ILE HB 1 25 ILE MD 2.710 . 3.280 2.284 1.892 3.164 . 0 0 "[ . 1 . 2 ]" 1
253 1 25 ILE HB 1 25 ILE MG 2.480 . 3.030 2.148 2.119 2.155 . 0 0 "[ . 1 . 2 ]" 1
254 1 25 ILE HB 1 26 CYS H 4.500 . 4.950 4.485 4.382 4.647 . 0 0 "[ . 1 . 2 ]" 1
255 1 25 ILE MD 1 27 PHE QR 3.420 . 4.060 3.822 2.381 4.096 0.036 13 0 "[ . 1 . 2 ]" 1
256 1 25 ILE QG 1 25 ILE MG 2.770 . 3.350 2.261 1.977 2.525 . 0 0 "[ . 1 . 2 ]" 1
257 1 25 ILE QG 1 26 CYS H 3.480 . 3.830 3.573 2.910 3.975 0.145 9 0 "[ . 1 . 2 ]" 1
258 1 25 ILE QG 1 27 PHE QR 4.450 . 4.900 4.162 2.662 4.905 0.005 8 0 "[ . 1 . 2 ]" 1
259 1 25 ILE MG 1 26 CYS H 3.340 . 3.970 3.340 2.810 4.030 0.060 16 0 "[ . 1 . 2 ]" 1
260 1 25 ILE MG 1 27 PHE QE 3.170 . 3.790 2.167 1.798 2.952 0.002 7 0 "[ . 1 . 2 ]" 1
261 1 26 CYS H 1 26 CYS HB2 2.690 . 2.960 2.624 2.143 3.150 0.190 20 0 "[ . 1 . 2 ]" 1
262 1 26 CYS H 1 26 CYS HB3 3.180 . 3.500 2.889 1.871 3.575 0.075 2 0 "[ . 1 . 2 ]" 1
263 1 26 CYS HA 1 26 CYS HB2 2.680 . 2.950 2.721 2.250 3.026 0.076 2 0 "[ . 1 . 2 ]" 1
264 1 26 CYS HA 1 26 CYS HB3 2.450 . 2.700 2.647 2.426 2.892 0.192 11 0 "[ . 1 . 2 ]" 1
265 1 26 CYS HA 1 27 PHE H 2.330 . 2.560 2.352 2.197 2.562 0.002 13 0 "[ . 1 . 2 ]" 1
266 1 26 CYS HB2 1 27 PHE H 4.390 . 4.830 3.776 3.230 4.381 . 0 0 "[ . 1 . 2 ]" 1
267 1 26 CYS HB2 1 36 ASN HA 2.930 . 3.220 2.979 2.395 3.404 0.184 3 0 "[ . 1 . 2 ]" 1
268 1 26 CYS HB3 1 27 PHE H 3.510 . 3.860 3.444 2.313 4.055 0.195 19 0 "[ . 1 . 2 ]" 1
269 1 26 CYS HB3 1 36 ASN HA 3.500 . 3.850 3.388 2.546 3.870 0.020 18 0 "[ . 1 . 2 ]" 1
270 1 27 PHE H 1 27 PHE HB2 2.740 . 3.010 2.402 2.117 2.702 . 0 0 "[ . 1 . 2 ]" 1
271 1 27 PHE H 1 27 PHE HB3 3.920 . 4.310 3.635 3.457 3.820 . 0 0 "[ . 1 . 2 ]" 1
272 1 27 PHE H 1 27 PHE QD 3.330 . 3.660 3.045 2.127 3.719 0.059 3 0 "[ . 1 . 2 ]" 1
273 1 27 PHE HB2 1 27 PHE QD 2.910 . 3.200 2.464 2.301 2.739 . 0 0 "[ . 1 . 2 ]" 1
274 1 27 PHE HB2 1 28 CYS H 4.500 . 4.950 4.309 2.518 4.588 . 0 0 "[ . 1 . 2 ]" 1
275 1 27 PHE HB3 1 27 PHE QD 2.970 . 3.270 2.490 2.300 2.772 . 0 0 "[ . 1 . 2 ]" 1
276 1 27 PHE HB3 1 28 CYS H 3.790 . 4.170 3.957 1.861 4.251 0.081 11 0 "[ . 1 . 2 ]" 1
277 1 28 CYS H 1 28 CYS HB2 2.580 . 2.840 2.574 1.972 2.931 0.091 10 0 "[ . 1 . 2 ]" 1
278 1 28 CYS H 1 28 CYS HB3 3.500 . 3.850 3.528 3.012 3.854 0.004 2 0 "[ . 1 . 2 ]" 1
279 1 28 CYS HB2 1 29 LEU H 3.230 . 3.550 3.007 2.375 3.574 0.024 2 0 "[ . 1 . 2 ]" 1
280 1 28 CYS HB2 1 33 GLU HA 4.500 . 4.950 3.462 2.681 4.642 . 0 0 "[ . 1 . 2 ]" 1
281 1 28 CYS HB3 1 29 LEU H 2.970 . 3.270 2.154 1.865 2.404 . 0 0 "[ . 1 . 2 ]" 1
282 1 28 CYS HB3 1 32 PHE HA 4.500 . 4.950 4.887 4.560 4.988 0.038 2 0 "[ . 1 . 2 ]" 1
283 1 28 CYS HB3 1 32 PHE QD 3.600 . 3.960 3.174 2.227 3.577 . 0 0 "[ . 1 . 2 ]" 1
284 1 28 CYS HB3 1 33 GLU HA 4.500 . 4.950 4.486 3.946 4.953 0.003 12 0 "[ . 1 . 2 ]" 1
285 1 28 CYS HB3 1 37 CYS QB 4.500 . 4.950 3.004 2.354 4.343 . 0 0 "[ . 1 . 2 ]" 1
286 1 29 LEU H 1 29 LEU QB 2.960 . 3.260 2.580 2.463 2.661 . 0 0 "[ . 1 . 2 ]" 1
287 1 29 LEU H 1 29 LEU QB 2.180 . 2.400 2.077 1.828 2.412 0.012 20 0 "[ . 1 . 2 ]" 1
288 1 29 LEU H 1 29 LEU MD1 4.500 . 4.950 3.056 1.849 3.631 . 0 0 "[ . 1 . 2 ]" 1
289 1 29 LEU H 1 29 LEU MD2 4.500 . 4.950 3.519 3.163 4.049 . 0 0 "[ . 1 . 2 ]" 1
290 1 29 LEU H 1 31 ALA MB 3.450 . 4.100 4.120 4.068 4.174 0.074 2 0 "[ . 1 . 2 ]" 1
291 1 29 LEU H 1 32 PHE H 4.100 . 4.510 3.223 2.885 3.802 . 0 0 "[ . 1 . 2 ]" 1
292 1 29 LEU H 1 32 PHE QD 3.630 . 3.990 2.390 1.990 2.648 . 0 0 "[ . 1 . 2 ]" 1
293 1 29 LEU H 1 32 PHE QE 4.320 . 4.750 4.258 3.422 4.757 0.007 4 0 "[ . 1 . 2 ]" 1
294 1 29 LEU HA 1 29 LEU MD1 3.540 . 4.190 3.860 3.609 3.944 . 0 0 "[ . 1 . 2 ]" 1
295 1 29 LEU HA 1 29 LEU MD2 3.140 . 3.750 2.379 1.982 3.394 . 0 0 "[ . 1 . 2 ]" 1
296 1 29 LEU HA 1 30 PRO QD 4.500 . 4.950 2.190 2.122 2.269 . 0 0 "[ . 1 . 2 ]" 1
297 1 29 LEU HA 1 32 PHE QD 4.500 . 4.950 4.696 4.382 4.953 0.003 9 0 "[ . 1 . 2 ]" 1
298 1 29 LEU QB 1 29 LEU MD1 2.980 . 3.580 2.106 2.074 2.127 . 0 0 "[ . 1 . 2 ]" 1
299 1 29 LEU QB 1 29 LEU MD2 2.880 . 3.470 2.232 2.080 2.310 . 0 0 "[ . 1 . 2 ]" 1
300 1 29 LEU QB 1 32 PHE QE 3.570 . 3.930 3.059 2.447 3.591 . 0 0 "[ . 1 . 2 ]" 1
301 1 29 LEU QB 1 31 ALA H 3.310 . 3.640 2.275 2.222 2.381 . 0 0 "[ . 1 . 2 ]" 1
302 1 29 LEU QB 1 32 PHE QD 2.440 . 2.680 2.595 2.442 2.693 0.013 16 0 "[ . 1 . 2 ]" 1
303 1 29 LEU QB 1 32 PHE QE 4.450 . 4.900 3.135 2.479 3.643 . 0 0 "[ . 1 . 2 ]" 1
304 1 29 LEU QD 1 30 PRO QD 2.960 . 3.560 2.901 2.758 3.066 . 0 0 "[ . 1 . 2 ]" 1
305 1 29 LEU QD 1 32 PHE HZ 3.710 . 4.380 4.346 3.787 4.395 0.015 19 0 "[ . 1 . 2 ]" 1
306 1 29 LEU MD1 1 32 PHE QD 2.990 . 3.590 3.072 1.962 3.595 0.005 11 0 "[ . 1 . 2 ]" 1
307 1 29 LEU MD1 1 32 PHE QE 3.020 . 3.620 2.482 2.066 2.685 . 0 0 "[ . 1 . 2 ]" 1
308 1 29 LEU O 1 32 PHE H 2.000 . 2.300 2.221 2.083 2.309 0.009 12 0 "[ . 1 . 2 ]" 1
309 1 29 LEU O 1 32 PHE N 3.000 2.700 3.300 3.031 2.944 3.080 . 0 0 "[ . 1 . 2 ]" 1
310 1 30 PRO HA 1 30 PRO HB3 2.550 . 2.810 2.290 2.287 2.293 . 0 0 "[ . 1 . 2 ]" 1
311 1 30 PRO HA 1 30 PRO QG 3.400 . 3.740 3.071 3.048 3.116 . 0 0 "[ . 1 . 2 ]" 1
312 1 30 PRO HA 1 31 ALA H 3.060 . 3.370 3.406 3.387 3.418 0.048 15 0 "[ . 1 . 2 ]" 1
313 1 30 PRO HB2 1 30 PRO QD 2.870 . 3.160 2.980 2.959 3.004 . 0 0 "[ . 1 . 2 ]" 1
314 1 30 PRO HB2 1 31 ALA H 3.130 . 3.440 3.390 3.319 3.453 0.013 2 0 "[ . 1 . 2 ]" 1
315 1 30 PRO HB3 1 30 PRO QD 3.280 . 3.610 3.531 3.528 3.534 . 0 0 "[ . 1 . 2 ]" 1
316 1 30 PRO HB3 1 31 ALA H 4.480 . 4.930 4.425 4.386 4.466 . 0 0 "[ . 1 . 2 ]" 1
317 1 30 PRO QD 1 31 ALA H 4.090 . 4.500 2.730 2.679 2.830 . 0 0 "[ . 1 . 2 ]" 1
318 1 31 ALA H 1 31 ALA HA 2.940 . 3.230 2.942 2.925 2.958 . 0 0 "[ . 1 . 2 ]" 1
319 1 31 ALA H 1 31 ALA MB 2.510 . 3.060 2.084 2.000 2.148 . 0 0 "[ . 1 . 2 ]" 1
320 1 31 ALA H 1 32 PHE H 2.790 . 3.070 2.411 2.336 2.572 . 0 0 "[ . 1 . 2 ]" 1
321 1 31 ALA HA 1 31 ALA MB 2.410 . 2.950 2.145 2.129 2.153 . 0 0 "[ . 1 . 2 ]" 1
322 1 31 ALA HA 1 32 PHE H 3.210 . 3.530 3.508 3.266 3.552 0.022 22 0 "[ . 1 . 2 ]" 1
323 1 31 ALA HA 1 41 LYS HB2 3.330 . 3.660 3.183 2.716 3.506 . 0 0 "[ . 1 . 2 ]" 1
324 1 31 ALA HA 1 41 LYS HB3 4.500 . 4.950 4.528 3.972 4.857 . 0 0 "[ . 1 . 2 ]" 1
325 1 31 ALA HA 1 41 LYS QD 2.560 . 2.820 2.800 2.652 2.830 0.010 2 0 "[ . 1 . 2 ]" 1
326 1 31 ALA HA 1 41 LYS QG 4.500 . 4.950 4.325 3.727 4.906 . 0 0 "[ . 1 . 2 ]" 1
327 1 31 ALA MB 1 32 PHE H 3.740 . 4.410 2.750 2.553 3.346 . 0 0 "[ . 1 . 2 ]" 1
328 1 31 ALA MB 1 32 PHE HZ 4.500 . 5.250 3.224 2.882 3.456 . 0 0 "[ . 1 . 2 ]" 1
329 1 31 ALA MB 1 40 HIS HD2 4.500 . 5.250 3.911 2.587 5.276 0.026 3 0 "[ . 1 . 2 ]" 1
330 1 31 ALA MB 1 41 LYS H 3.800 . 4.480 4.466 4.343 4.499 0.019 3 0 "[ . 1 . 2 ]" 1
331 1 32 PHE H 1 32 PHE HA 2.660 . 2.930 2.990 2.964 2.996 0.066 10 0 "[ . 1 . 2 ]" 1
332 1 32 PHE H 1 32 PHE HB2 2.620 . 2.880 2.712 2.602 2.890 0.010 2 0 "[ . 1 . 2 ]" 1
333 1 32 PHE H 1 32 PHE QD 3.040 . 3.340 2.119 1.870 2.837 . 0 0 "[ . 1 . 2 ]" 1
334 1 32 PHE HA 1 32 PHE HB2 2.950 . 3.250 3.025 3.010 3.030 . 0 0 "[ . 1 . 2 ]" 1
335 1 32 PHE HA 1 32 PHE HB3 2.450 . 2.700 2.388 2.343 2.417 . 0 0 "[ . 1 . 2 ]" 1
336 1 32 PHE HA 1 32 PHE QD 3.100 . 3.410 3.076 2.824 3.217 . 0 0 "[ . 1 . 2 ]" 1
337 1 32 PHE HA 1 33 GLU H 2.450 . 2.700 2.580 2.431 2.708 0.008 6 0 "[ . 1 . 2 ]" 1
338 1 32 PHE HA 1 37 CYS HA 4.500 . 4.950 4.662 4.337 4.952 0.002 9 0 "[ . 1 . 2 ]" 1
339 1 32 PHE HA 1 40 HIS HA 2.970 . 3.270 2.449 1.991 2.786 . 0 0 "[ . 1 . 2 ]" 1
340 1 32 PHE HA 1 40 HIS QB 4.500 . 4.950 4.428 3.731 4.813 . 0 0 "[ . 1 . 2 ]" 1
341 1 32 PHE HA 1 41 LYS H 3.020 . 3.320 2.006 1.845 2.157 . 0 0 "[ . 1 . 2 ]" 1
342 1 32 PHE HA 1 41 LYS HB3 4.500 . 4.950 4.922 4.715 5.006 0.056 2 0 "[ . 1 . 2 ]" 1
343 1 32 PHE HA 1 41 LYS QG 3.030 . 3.330 2.360 1.865 3.333 0.003 2 0 "[ . 1 . 2 ]" 1
344 1 32 PHE HB2 1 32 PHE QD 2.640 . 2.900 2.467 2.371 2.520 . 0 0 "[ . 1 . 2 ]" 1
345 1 32 PHE HB2 1 33 GLU H 3.840 . 4.220 3.198 2.931 3.501 . 0 0 "[ . 1 . 2 ]" 1
346 1 32 PHE HB2 1 37 CYS HA 4.500 . 4.950 3.209 2.594 4.083 . 0 0 "[ . 1 . 2 ]" 1
347 1 32 PHE HB2 1 37 CYS QB 2.640 . 2.900 2.872 2.406 2.966 0.066 10 0 "[ . 1 . 2 ]" 1
348 1 32 PHE HB3 1 32 PHE QD 2.560 . 2.820 2.369 2.339 2.457 . 0 0 "[ . 1 . 2 ]" 1
349 1 32 PHE HB3 1 32 PHE QE 4.500 . 4.950 4.435 4.426 4.457 . 0 0 "[ . 1 . 2 ]" 1
350 1 32 PHE HB3 1 33 GLU H 2.980 . 3.280 2.452 2.287 2.730 . 0 0 "[ . 1 . 2 ]" 1
351 1 32 PHE QD 1 40 HIS HA 3.270 . 3.600 2.118 1.859 2.416 . 0 0 "[ . 1 . 2 ]" 1
352 1 32 PHE QD 1 40 HIS QB 3.580 . 3.940 2.612 1.864 3.347 . 0 0 "[ . 1 . 2 ]" 1
353 1 32 PHE QD 1 40 HIS HD2 4.500 . 4.950 3.241 1.873 4.971 0.021 2 0 "[ . 1 . 2 ]" 1
354 1 32 PHE QE 1 40 HIS HA 3.710 . 4.080 3.872 3.301 4.101 0.021 3 0 "[ . 1 . 2 ]" 1
355 1 32 PHE QE 1 40 HIS QB 2.980 . 3.280 3.109 2.114 3.286 0.006 4 0 "[ . 1 . 2 ]" 1
356 1 33 GLU H 1 37 CYS HA 3.860 . 4.250 2.945 2.218 3.584 . 0 0 "[ . 1 . 2 ]" 1
357 1 33 GLU H 1 39 THR H 3.200 . 3.520 3.509 3.192 3.572 0.052 2 0 "[ . 1 . 2 ]" 1
358 1 33 GLU H 1 39 THR HB 3.200 . 3.520 3.053 2.157 3.528 0.008 4 0 "[ . 1 . 2 ]" 1
359 1 33 GLU H 1 39 THR MG 4.500 . 5.250 3.243 2.770 3.778 . 0 0 "[ . 1 . 2 ]" 1
360 1 33 GLU H 1 40 HIS HA 4.500 . 4.950 3.861 3.335 4.421 . 0 0 "[ . 1 . 2 ]" 1
361 1 33 GLU H 1 41 LYS H 3.690 . 4.060 3.982 3.740 4.068 0.008 1 0 "[ . 1 . 2 ]" 1
362 1 33 GLU HA 1 37 CYS HA 4.500 . 4.950 4.166 3.036 4.954 0.004 17 0 "[ . 1 . 2 ]" 1
363 1 33 GLU HA 1 39 THR MG 4.500 . 4.950 4.350 4.017 4.947 . 0 0 "[ . 1 . 2 ]" 1
364 1 33 GLU HA 1 41 LYS QE 4.500 . 4.950 4.300 3.207 4.951 0.001 3 0 "[ . 1 . 2 ]" 1
365 1 33 GLU QB 1 39 THR MG 2.510 . 3.060 2.739 1.838 3.072 0.012 11 0 "[ . 1 . 2 ]" 1
366 1 33 GLU QB 1 41 LYS QE 2.550 . 2.810 2.208 1.795 2.813 0.005 2 0 "[ . 1 . 2 ]" 1
367 1 34 GLY QA 1 35 ARG H 2.620 . 2.880 2.300 2.263 2.325 . 0 0 "[ . 1 . 2 ]" 1
368 1 34 GLY O 1 37 CYS H 2.000 . 2.300 2.220 2.103 2.336 0.036 3 0 "[ . 1 . 2 ]" 1
369 1 34 GLY O 1 37 CYS N 3.000 2.700 3.300 3.159 2.902 3.307 0.007 4 0 "[ . 1 . 2 ]" 1
370 1 35 ARG H 1 35 ARG HA 2.860 . 3.150 2.823 2.760 2.882 . 0 0 "[ . 1 . 2 ]" 1
371 1 35 ARG H 1 35 ARG QB 2.700 . 2.970 2.255 1.942 2.539 . 0 0 "[ . 1 . 2 ]" 1
372 1 35 ARG H 1 35 ARG QG 3.820 . 4.200 2.976 1.858 3.997 . 0 0 "[ . 1 . 2 ]" 1
373 1 35 ARG H 1 36 ASN H 2.870 . 3.160 2.804 2.653 3.116 . 0 0 "[ . 1 . 2 ]" 1
374 1 35 ARG H 1 37 CYS H 4.500 . 4.950 4.134 3.732 4.543 . 0 0 "[ . 1 . 2 ]" 1
375 1 35 ARG HA 1 35 ARG QB 2.390 . 2.630 2.404 2.308 2.538 . 0 0 "[ . 1 . 2 ]" 1
376 1 35 ARG HA 1 35 ARG QD 4.500 . 4.950 3.377 1.883 4.193 . 0 0 "[ . 1 . 2 ]" 1
377 1 35 ARG HA 1 35 ARG HE 4.500 . 4.950 4.503 3.085 4.956 0.006 1 0 "[ . 1 . 2 ]" 1
378 1 35 ARG HA 1 35 ARG QG 2.600 . 2.860 2.402 2.095 2.805 . 0 0 "[ . 1 . 2 ]" 1
379 1 35 ARG HA 1 36 ASN H 4.500 . 4.950 3.491 3.378 3.591 . 0 0 "[ . 1 . 2 ]" 1
380 1 35 ARG HA 1 37 CYS H 4.120 . 4.530 4.332 3.874 4.556 0.026 12 0 "[ . 1 . 2 ]" 1
381 1 35 ARG QB 1 35 ARG QD 2.820 . 3.100 2.232 1.952 2.487 . 0 0 "[ . 1 . 2 ]" 1
382 1 35 ARG QB 1 36 ASN H 2.950 . 3.250 2.797 2.204 3.222 . 0 0 "[ . 1 . 2 ]" 1
383 1 35 ARG HE 1 35 ARG QG 3.300 . 3.630 2.414 1.995 3.185 . 0 0 "[ . 1 . 2 ]" 1
384 1 35 ARG QG 1 36 ASN H 3.800 . 4.180 4.063 3.584 4.193 0.013 1 0 "[ . 1 . 2 ]" 1
385 1 36 ASN H 1 36 ASN HA 2.930 . 3.220 2.988 2.962 3.008 . 0 0 "[ . 1 . 2 ]" 1
386 1 36 ASN H 1 36 ASN QB 2.740 . 3.010 2.554 2.166 2.748 . 0 0 "[ . 1 . 2 ]" 1
387 1 36 ASN H 1 37 CYS H 2.770 . 3.050 2.278 1.901 2.885 . 0 0 "[ . 1 . 2 ]" 1
388 1 36 ASN H 1 38 GLU H 4.100 . 4.510 2.883 2.603 3.244 . 0 0 "[ . 1 . 2 ]" 1
389 1 36 ASN H 1 39 THR H 4.500 . 4.950 4.699 4.354 4.986 0.036 10 0 "[ . 1 . 2 ]" 1
390 1 36 ASN HA 1 36 ASN QB 2.630 . 2.890 2.398 2.321 2.547 . 0 0 "[ . 1 . 2 ]" 1
391 1 36 ASN HA 1 36 ASN HD21 3.770 . 4.150 2.982 1.885 4.176 0.026 12 0 "[ . 1 . 2 ]" 1
392 1 36 ASN HA 1 37 CYS H 3.440 . 3.780 3.079 2.913 3.292 . 0 0 "[ . 1 . 2 ]" 1
393 1 36 ASN QB 1 36 ASN HD21 2.860 . 3.150 2.462 2.210 2.905 . 0 0 "[ . 1 . 2 ]" 1
394 1 36 ASN QB 1 36 ASN HD22 3.520 . 3.870 3.384 3.277 3.531 . 0 0 "[ . 1 . 2 ]" 1
395 1 36 ASN QB 1 38 GLU HB3 2.890 . 3.180 3.183 2.978 3.221 0.041 14 0 "[ . 1 . 2 ]" 1
396 1 37 CYS H 1 37 CYS HA 2.380 . 2.620 2.365 2.349 2.380 . 0 0 "[ . 1 . 2 ]" 1
397 1 37 CYS H 1 38 GLU H 3.300 . 3.630 2.691 2.625 2.882 . 0 0 "[ . 1 . 2 ]" 1
398 1 37 CYS HA 1 37 CYS QB 2.270 . 2.500 2.288 2.175 2.336 . 0 0 "[ . 1 . 2 ]" 1
399 1 37 CYS HA 1 38 GLU H 3.450 . 3.800 3.194 3.048 3.247 . 0 0 "[ . 1 . 2 ]" 1
400 1 37 CYS HA 1 39 THR H 3.870 . 4.260 3.255 3.081 3.666 . 0 0 "[ . 1 . 2 ]" 1
401 1 38 GLU H 1 38 GLU HB2 4.120 . 4.530 2.751 2.655 2.845 . 0 0 "[ . 1 . 2 ]" 1
402 1 38 GLU H 1 38 GLU HB3 2.880 . 3.170 2.148 2.063 2.234 . 0 0 "[ . 1 . 2 ]" 1
403 1 38 GLU H 1 38 GLU QG 3.720 . 4.090 3.834 3.766 3.949 . 0 0 "[ . 1 . 2 ]" 1
404 1 38 GLU H 1 39 THR H 2.970 . 3.270 2.639 2.444 2.736 . 0 0 "[ . 1 . 2 ]" 1
405 1 38 GLU HA 1 38 GLU HB2 2.570 . 2.830 2.352 2.324 2.377 . 0 0 "[ . 1 . 2 ]" 1
406 1 38 GLU HA 1 38 GLU QG 2.670 . 2.940 2.637 2.548 2.726 . 0 0 "[ . 1 . 2 ]" 1
407 1 38 GLU HA 1 39 THR H 3.770 . 4.150 3.447 3.386 3.559 . 0 0 "[ . 1 . 2 ]" 1
408 1 38 GLU HB2 1 38 GLU QG 2.360 . 2.600 2.346 2.167 2.419 . 0 0 "[ . 1 . 2 ]" 1
409 1 38 GLU HB3 1 38 GLU QG 2.550 . 2.810 2.387 2.315 2.540 . 0 0 "[ . 1 . 2 ]" 1
410 1 38 GLU HB3 1 39 THR H 3.980 . 4.380 3.176 2.765 3.395 . 0 0 "[ . 1 . 2 ]" 1
411 1 38 GLU QG 1 39 THR H 3.240 . 3.560 3.573 3.539 3.590 0.030 5 0 "[ . 1 . 2 ]" 1
412 1 39 THR H 1 39 THR HB 2.730 . 3.000 2.430 2.168 2.922 . 0 0 "[ . 1 . 2 ]" 1
413 1 39 THR H 1 39 THR MG 3.540 . 4.190 3.717 3.638 3.816 . 0 0 "[ . 1 . 2 ]" 1
414 1 39 THR HA 1 40 HIS H 2.640 . 2.900 2.527 2.331 2.673 . 0 0 "[ . 1 . 2 ]" 1
415 1 39 THR MG 1 40 HIS H 3.230 . 3.850 3.772 3.450 3.868 0.018 14 0 "[ . 1 . 2 ]" 1
416 1 40 HIS H 1 40 HIS HA 2.940 . 3.230 2.827 2.762 2.896 . 0 0 "[ . 1 . 2 ]" 1
417 1 40 HIS H 1 40 HIS QB 2.450 . 2.700 2.196 2.129 2.542 . 0 0 "[ . 1 . 2 ]" 1
418 1 40 HIS HA 1 40 HIS QB 2.580 . 2.840 2.311 2.192 2.399 . 0 0 "[ . 1 . 2 ]" 1
419 1 40 HIS HA 1 40 HIS HD2 4.500 . 4.950 3.007 2.275 4.527 . 0 0 "[ . 1 . 2 ]" 1
420 1 40 HIS HA 1 41 LYS H 2.350 . 2.590 2.233 2.193 2.322 . 0 0 "[ . 1 . 2 ]" 1
421 1 40 HIS QB 1 41 LYS H 3.890 . 4.280 3.853 3.329 4.054 . 0 0 "[ . 1 . 2 ]" 1
422 1 41 LYS H 1 41 LYS HA 2.920 . 3.210 2.816 2.756 2.899 . 0 0 "[ . 1 . 2 ]" 1
423 1 41 LYS H 1 41 LYS HB2 2.640 . 2.900 2.428 2.150 2.582 . 0 0 "[ . 1 . 2 ]" 1
424 1 41 LYS H 1 41 LYS QD 4.500 . 4.950 3.375 2.761 3.781 . 0 0 "[ . 1 . 2 ]" 1
425 1 41 LYS H 1 41 LYS QG 2.760 . 3.040 1.963 1.844 2.576 . 0 0 "[ . 1 . 2 ]" 1
426 1 41 LYS HA 1 41 LYS QG 3.210 . 3.530 2.379 2.211 2.486 . 0 0 "[ . 1 . 2 ]" 1
427 1 41 LYS HB2 1 41 LYS QE 4.500 . 4.950 3.896 3.289 4.204 . 0 0 "[ . 1 . 2 ]" 1
428 1 41 LYS HB2 1 41 LYS QG 2.410 . 2.650 2.412 2.294 2.527 . 0 0 "[ . 1 . 2 ]" 1
429 1 41 LYS HB3 1 41 LYS QE 4.500 . 4.950 3.532 2.738 4.231 . 0 0 "[ . 1 . 2 ]" 1
430 1 41 LYS HB3 1 41 LYS QG 2.400 . 2.640 2.321 2.200 2.440 . 0 0 "[ . 1 . 2 ]" 1
431 1 41 LYS QE 1 41 LYS QG 2.870 . 3.160 2.110 1.894 2.480 . 0 0 "[ . 1 . 2 ]" 1
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