NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382758 |
1jo6   |
5092 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jo6
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 492
_Distance_constraint_stats_list.Viol_count 1700
_Distance_constraint_stats_list.Viol_total 2016.292
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0494
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.004 0.004 18 0 "[ . 1 . 2 ]"
1 2 PHE 1.267 0.206 23 0 "[ . 1 . 2 ]"
1 3 ILE 2.982 0.218 23 0 "[ . 1 . 2 ]"
1 4 TRP 6.549 0.218 23 0 "[ . 1 . 2 ]"
1 5 THR 4.546 0.210 21 0 "[ . 1 . 2 ]"
1 6 SER 1.715 0.210 21 0 "[ . 1 . 2 ]"
1 7 GLY 0.007 0.007 18 0 "[ . 1 . 2 ]"
1 8 ARG 0.254 0.088 18 0 "[ . 1 . 2 ]"
1 9 THR 2.475 0.325 13 0 "[ . 1 . 2 ]"
1 10 SER 1.844 0.325 13 0 "[ . 1 . 2 ]"
1 11 SER 1.921 0.142 12 0 "[ . 1 . 2 ]"
1 12 SER 1.933 0.166 12 0 "[ . 1 . 2 ]"
1 13 TYR 6.938 0.166 12 0 "[ . 1 . 2 ]"
1 14 ARG 6.593 0.125 18 0 "[ . 1 . 2 ]"
1 15 HIS 6.113 0.285 14 0 "[ . 1 . 2 ]"
1 16 ASP 7.823 0.186 20 0 "[ . 1 . 2 ]"
1 17 GLU 3.530 0.164 15 0 "[ . 1 . 2 ]"
1 18 LYS 1.097 0.096 15 0 "[ . 1 . 2 ]"
1 19 ARG 8.930 0.173 15 0 "[ . 1 . 2 ]"
1 20 ASN 2.006 0.123 22 0 "[ . 1 . 2 ]"
1 21 ILE 2.190 0.183 20 0 "[ . 1 . 2 ]"
1 22 TYR 3.901 0.123 22 0 "[ . 1 . 2 ]"
1 23 GLN 3.488 0.123 22 0 "[ . 1 . 2 ]"
1 24 LYS 0.379 0.085 20 0 "[ . 1 . 2 ]"
1 25 ILE 6.703 0.192 24 0 "[ . 1 . 2 ]"
1 26 ARG 4.563 0.164 24 0 "[ . 1 . 2 ]"
1 27 ASP 1.798 0.347 24 0 "[ . 1 . 2 ]"
1 28 HIS 1.878 0.347 24 0 "[ . 1 . 2 ]"
1 29 ASP 2.143 0.195 24 0 "[ . 1 . 2 ]"
1 30 LEU 3.660 0.154 18 0 "[ . 1 . 2 ]"
1 31 LEU 4.880 0.191 12 0 "[ . 1 . 2 ]"
1 32 ASP 5.708 0.191 12 0 "[ . 1 . 2 ]"
1 33 LYS 3.404 0.148 11 0 "[ . 1 . 2 ]"
1 34 ARG 4.310 0.149 9 0 "[ . 1 . 2 ]"
1 35 LYS 3.061 0.217 7 0 "[ . 1 . 2 ]"
1 36 THR 1.701 0.358 23 0 "[ . 1 . 2 ]"
1 37 VAL 1.689 0.305 19 0 "[ . 1 . 2 ]"
1 38 THR 3.356 0.305 19 0 "[ . 1 . 2 ]"
1 39 ALA 2.146 0.185 23 0 "[ . 1 . 2 ]"
1 40 LEU 0.002 0.002 8 0 "[ . 1 . 2 ]"
1 41 LYS 3.000 0.136 4 0 "[ . 1 . 2 ]"
1 42 ALA 0.136 0.015 6 0 "[ . 1 . 2 ]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 GLU 0.000 0.000 8 0 "[ . 1 . 2 ]"
1 45 ASP 0.026 0.013 15 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 PHE H . . 2.800 2.429 2.202 2.804 0.004 18 0 "[ . 1 . 2 ]" 1
2 1 2 PHE H 1 2 PHE HB2 . . 3.400 3.151 2.156 3.449 0.049 11 0 "[ . 1 . 2 ]" 1
3 1 2 PHE H 1 2 PHE HB3 . . 3.400 2.946 2.095 3.554 0.154 23 0 "[ . 1 . 2 ]" 1
4 1 2 PHE H 1 3 ILE H . . 4.500 4.248 1.971 4.626 0.126 5 0 "[ . 1 . 2 ]" 1
5 1 2 PHE HA 1 3 ILE H . . 2.800 2.540 2.253 2.993 0.193 23 0 "[ . 1 . 2 ]" 1
6 1 2 PHE QB 1 3 ILE H . . 4.060 3.141 1.934 3.776 . 0 0 "[ . 1 . 2 ]" 1
7 1 2 PHE HB2 1 3 ILE H . . 4.300 3.583 1.946 4.506 0.206 23 0 "[ . 1 . 2 ]" 1
8 1 2 PHE HB3 1 3 ILE H . . 4.300 3.765 2.908 4.087 . 0 0 "[ . 1 . 2 ]" 1
9 1 2 PHE QD 1 3 ILE HA . . 8.000 4.397 3.277 5.574 . 0 0 "[ . 1 . 2 ]" 1
10 1 2 PHE QE 1 4 TRP HA . . 7.000 4.328 2.808 6.190 . 0 0 "[ . 1 . 2 ]" 1
11 1 3 ILE H 1 3 ILE HB . . 3.100 2.668 2.161 3.124 0.024 8 0 "[ . 1 . 2 ]" 1
12 1 3 ILE H 1 3 ILE MD . . 5.000 4.086 3.927 4.192 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 ILE H 1 3 ILE QG . . 5.000 3.942 2.607 4.285 . 0 0 "[ . 1 . 2 ]" 1
14 1 3 ILE H 1 3 ILE MG . . 4.400 2.509 1.898 3.600 . 0 0 "[ . 1 . 2 ]" 1
15 1 3 ILE H 1 4 TRP H . . 4.400 4.440 4.191 4.618 0.218 23 0 "[ . 1 . 2 ]" 1
16 1 3 ILE HA 1 3 ILE MD . . 3.500 2.194 1.898 2.914 . 0 0 "[ . 1 . 2 ]" 1
17 1 3 ILE HA 1 4 TRP H . . 2.800 2.250 2.177 2.857 0.057 21 0 "[ . 1 . 2 ]" 1
18 1 3 ILE HB 1 3 ILE MD . . 3.700 2.677 2.106 3.204 . 0 0 "[ . 1 . 2 ]" 1
19 1 3 ILE HB 1 4 TRP H . . 4.300 4.301 3.636 4.395 0.095 23 0 "[ . 1 . 2 ]" 1
20 1 3 ILE MD 1 4 TRP H . . 3.700 2.497 1.891 3.497 . 0 0 "[ . 1 . 2 ]" 1
21 1 3 ILE MD 1 4 TRP HA . . 7.000 4.549 2.881 5.807 . 0 0 "[ . 1 . 2 ]" 1
22 1 3 ILE MD 1 4 TRP HD1 . . 7.000 4.250 3.405 5.107 . 0 0 "[ . 1 . 2 ]" 1
23 1 3 ILE MD 1 5 THR H . . 5.900 2.962 1.993 4.053 . 0 0 "[ . 1 . 2 ]" 1
24 1 3 ILE MD 1 5 THR HA . . 6.200 4.674 3.960 5.157 . 0 0 "[ . 1 . 2 ]" 1
25 1 3 ILE QG 1 4 TRP H . . 7.000 3.271 1.750 4.313 . 0 0 "[ . 1 . 2 ]" 1
26 1 4 TRP H 1 4 TRP HB2 . . 3.700 3.725 3.630 3.875 0.175 11 0 "[ . 1 . 2 ]" 1
27 1 4 TRP H 1 4 TRP QB . . 3.390 2.815 2.679 2.942 . 0 0 "[ . 1 . 2 ]" 1
28 1 4 TRP H 1 4 TRP HB3 . . 3.700 2.915 2.749 3.080 . 0 0 "[ . 1 . 2 ]" 1
29 1 4 TRP H 1 4 TRP HD1 . . 3.600 2.855 2.465 3.414 . 0 0 "[ . 1 . 2 ]" 1
30 1 4 TRP H 1 4 TRP HE3 . . 4.800 4.811 4.630 4.974 0.174 24 0 "[ . 1 . 2 ]" 1
31 1 4 TRP H 1 5 THR H . . 4.200 2.336 1.864 4.396 0.196 24 0 "[ . 1 . 2 ]" 1
32 1 4 TRP H 1 5 THR MG . . 5.200 3.282 2.677 4.061 . 0 0 "[ . 1 . 2 ]" 1
33 1 4 TRP HA 1 4 TRP HD1 . . 4.700 4.564 4.430 4.773 0.073 16 0 "[ . 1 . 2 ]" 1
34 1 4 TRP HA 1 4 TRP HE3 . . 4.200 3.997 3.566 4.228 0.028 21 0 "[ . 1 . 2 ]" 1
35 1 4 TRP HA 1 5 THR H . . 3.500 3.338 2.303 3.605 0.105 23 0 "[ . 1 . 2 ]" 1
36 1 4 TRP HA 1 5 THR MG . . 7.000 4.600 3.242 5.203 . 0 0 "[ . 1 . 2 ]" 1
37 1 4 TRP QB 1 4 TRP HD1 . . 3.520 2.635 2.588 2.684 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 TRP HB2 1 5 THR H . . 4.200 3.934 3.047 4.218 0.018 18 0 "[ . 1 . 2 ]" 1
39 1 4 TRP HB3 1 5 THR H . . 4.200 4.138 3.959 4.299 0.099 16 0 "[ . 1 . 2 ]" 1
40 1 4 TRP HD1 1 5 THR HA . . 6.000 5.989 5.714 6.136 0.136 16 0 "[ . 1 . 2 ]" 1
41 1 4 TRP HD1 1 5 THR MG . . 7.000 4.620 3.520 5.785 . 0 0 "[ . 1 . 2 ]" 1
42 1 4 TRP HE3 1 5 THR HA . . 4.900 3.201 2.735 4.515 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 TRP HZ2 1 5 THR HA . . 6.000 5.409 5.203 5.584 . 0 0 "[ . 1 . 2 ]" 1
44 1 5 THR H 1 5 THR HB . . 3.800 3.239 2.070 3.927 0.127 16 0 "[ . 1 . 2 ]" 1
45 1 5 THR H 1 5 THR MG . . 4.400 2.338 1.883 3.630 . 0 0 "[ . 1 . 2 ]" 1
46 1 5 THR H 1 6 SER H . . 4.000 3.515 2.012 4.210 0.210 21 0 "[ . 1 . 2 ]" 1
47 1 5 THR HA 1 6 SER H . . 3.500 3.399 2.169 3.626 0.126 6 0 "[ . 1 . 2 ]" 1
48 1 5 THR HB 1 6 SER H . . 3.600 3.007 1.920 3.651 0.051 10 0 "[ . 1 . 2 ]" 1
49 1 5 THR MG 1 6 SER H . . 4.500 3.052 1.823 3.770 . 0 0 "[ . 1 . 2 ]" 1
50 1 6 SER H 1 7 GLY H . . 3.700 3.296 2.269 3.691 . 0 0 "[ . 1 . 2 ]" 1
51 1 6 SER HA 1 7 GLY H . . 2.700 2.403 2.215 2.700 0.000 12 0 "[ . 1 . 2 ]" 1
52 1 7 GLY H 1 8 ARG H . . 3.800 3.365 1.910 3.807 0.007 18 0 "[ . 1 . 2 ]" 1
53 1 8 ARG H 1 8 ARG HB2 . . 3.500 2.824 2.049 3.588 0.088 18 0 "[ . 1 . 2 ]" 1
54 1 8 ARG H 1 8 ARG HB3 . . 3.500 2.964 2.250 3.500 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 ARG H 1 8 ARG QD . . 6.200 3.931 1.940 4.846 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 ARG H 1 8 ARG HG2 . . 4.100 3.141 1.958 4.096 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 ARG H 1 8 ARG QG . . 3.810 2.803 1.914 3.477 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 ARG H 1 8 ARG HG3 . . 4.100 3.529 2.134 3.993 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 ARG HA 1 8 ARG HG2 . . 4.000 2.968 2.000 3.863 . 0 0 "[ . 1 . 2 ]" 1
60 1 8 ARG HA 1 8 ARG HG3 . . 4.000 3.393 2.224 3.873 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 ARG HA 1 9 THR H . . 2.400 2.341 2.228 2.400 . 0 0 "[ . 1 . 2 ]" 1
62 1 8 ARG QB 1 9 THR H . . 3.820 2.957 2.745 3.367 . 0 0 "[ . 1 . 2 ]" 1
63 1 8 ARG HB2 1 9 THR H . . 4.300 3.675 2.823 4.300 . 0 0 "[ . 1 . 2 ]" 1
64 1 8 ARG HB3 1 9 THR H . . 4.300 3.550 2.791 4.297 . 0 0 "[ . 1 . 2 ]" 1
65 1 8 ARG QG 1 9 THR H . . 6.880 3.662 3.154 4.443 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 THR H 1 9 THR HB . . 3.500 3.277 2.673 3.557 0.057 20 0 "[ . 1 . 2 ]" 1
67 1 9 THR H 1 9 THR MG . . 4.300 3.127 1.924 3.682 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 THR H 1 10 SER H . . 4.300 4.327 4.078 4.361 0.061 9 0 "[ . 1 . 2 ]" 1
69 1 9 THR HA 1 9 THR HB . . 3.000 2.753 2.429 3.039 0.039 23 0 "[ . 1 . 2 ]" 1
70 1 9 THR HA 1 9 THR MG . . 3.600 2.264 2.087 3.240 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 THR HA 1 10 SER H . . 2.900 2.845 2.783 3.073 0.173 13 0 "[ . 1 . 2 ]" 1
72 1 9 THR HB 1 10 SER H . . 3.100 2.160 1.933 3.425 0.325 13 0 "[ . 1 . 2 ]" 1
73 1 9 THR MG 1 10 SER H . . 4.100 2.928 1.903 3.659 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 SER H 1 10 SER HB2 . . 3.700 2.919 2.061 3.593 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 SER H 1 10 SER QB . . 3.440 2.483 2.038 2.847 . 0 0 "[ . 1 . 2 ]" 1
76 1 10 SER H 1 10 SER HB3 . . 3.700 3.103 2.349 3.594 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 SER HA 1 11 SER H . . 3.200 2.580 2.275 3.342 0.142 12 0 "[ . 1 . 2 ]" 1
78 1 10 SER HB2 1 11 SER H . . 3.800 3.151 1.958 3.838 0.038 12 0 "[ . 1 . 2 ]" 1
79 1 10 SER HB3 1 11 SER H . . 3.800 3.071 1.951 3.839 0.039 12 0 "[ . 1 . 2 ]" 1
80 1 11 SER H 1 11 SER HB2 . . 3.600 2.563 2.045 3.606 0.006 7 0 "[ . 1 . 2 ]" 1
81 1 11 SER H 1 11 SER HB3 . . 3.600 3.202 2.337 3.543 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 SER H 1 12 SER H . . 3.500 3.030 2.312 3.488 . 0 0 "[ . 1 . 2 ]" 1
83 1 11 SER HA 1 12 SER H . . 3.500 3.501 3.352 3.595 0.095 7 0 "[ . 1 . 2 ]" 1
84 1 11 SER HA 1 14 ARG HB2 . . 5.100 5.121 5.105 5.183 0.083 18 0 "[ . 1 . 2 ]" 1
85 1 11 SER QB 1 12 SER H . . 3.700 2.486 1.835 3.535 . 0 0 "[ . 1 . 2 ]" 1
86 1 11 SER HB2 1 12 SER H . . 3.900 2.756 1.948 3.968 0.068 12 0 "[ . 1 . 2 ]" 1
87 1 11 SER HB3 1 12 SER H . . 3.900 3.020 1.916 3.968 0.068 12 0 "[ . 1 . 2 ]" 1
88 1 12 SER H 1 13 TYR H . . 3.400 2.868 2.592 3.566 0.166 12 0 "[ . 1 . 2 ]" 1
89 1 12 SER HA 1 13 TYR H . . 3.200 3.054 2.671 3.241 0.041 11 0 "[ . 1 . 2 ]" 1
90 1 12 SER HA 1 15 HIS HB2 . . 4.800 2.893 2.390 3.570 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 SER HA 1 15 HIS QB . . 4.620 2.805 2.367 3.330 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 SER HA 1 15 HIS HB3 . . 4.800 3.936 3.444 4.627 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 SER QB 1 14 ARG H . . 6.600 5.480 5.341 5.713 . 0 0 "[ . 1 . 2 ]" 1
94 1 13 TYR H 1 13 TYR HB2 . . 3.600 3.660 3.637 3.737 0.137 18 0 "[ . 1 . 2 ]" 1
95 1 13 TYR H 1 13 TYR HB3 . . 3.100 2.724 2.678 2.809 . 0 0 "[ . 1 . 2 ]" 1
96 1 13 TYR HA 1 13 TYR HB3 . . 3.000 2.618 2.609 2.658 . 0 0 "[ . 1 . 2 ]" 1
97 1 13 TYR HA 1 14 ARG H . . 3.500 3.622 3.616 3.623 0.123 21 0 "[ . 1 . 2 ]" 1
98 1 13 TYR HA 1 16 ASP QB . . 5.780 5.067 4.562 5.204 . 0 0 "[ . 1 . 2 ]" 1
99 1 13 TYR HB2 1 14 ARG H . . 3.700 3.745 3.728 3.821 0.121 18 0 "[ . 1 . 2 ]" 1
100 1 13 TYR HB3 1 14 ARG H . . 3.600 3.631 3.570 3.646 0.046 10 0 "[ . 1 . 2 ]" 1
101 1 13 TYR QD 1 14 ARG H . . 7.300 2.658 2.430 2.771 . 0 0 "[ . 1 . 2 ]" 1
102 1 13 TYR QD 1 14 ARG HA . . 8.000 3.602 3.405 3.886 . 0 0 "[ . 1 . 2 ]" 1
103 1 13 TYR QD 1 14 ARG QG . . 8.000 2.627 2.371 2.849 . 0 0 "[ . 1 . 2 ]" 1
104 1 13 TYR QE 1 15 HIS HA . . 7.000 6.404 6.212 6.484 . 0 0 "[ . 1 . 2 ]" 1
105 1 14 ARG H 1 14 ARG HB2 . . 3.100 2.192 2.167 2.214 . 0 0 "[ . 1 . 2 ]" 1
106 1 14 ARG H 1 14 ARG HB3 . . 3.500 3.296 3.224 3.386 . 0 0 "[ . 1 . 2 ]" 1
107 1 14 ARG H 1 14 ARG QD . . 5.700 4.578 4.249 4.955 . 0 0 "[ . 1 . 2 ]" 1
108 1 14 ARG H 1 14 ARG QG . . 4.500 3.489 3.370 3.582 . 0 0 "[ . 1 . 2 ]" 1
109 1 14 ARG H 1 15 HIS H . . 3.600 2.117 2.068 2.234 . 0 0 "[ . 1 . 2 ]" 1
110 1 14 ARG HA 1 14 ARG HB2 . . 3.000 2.933 2.900 2.972 . 0 0 "[ . 1 . 2 ]" 1
111 1 14 ARG HA 1 14 ARG QD . . 4.800 3.033 2.107 4.038 . 0 0 "[ . 1 . 2 ]" 1
112 1 14 ARG HA 1 14 ARG QG . . 3.900 2.218 2.096 2.389 . 0 0 "[ . 1 . 2 ]" 1
113 1 14 ARG HA 1 15 HIS H . . 3.500 3.550 3.530 3.625 0.125 18 0 "[ . 1 . 2 ]" 1
114 1 14 ARG HB2 1 14 ARG HE . . 4.400 3.955 3.366 4.402 0.002 11 0 "[ . 1 . 2 ]" 1
115 1 14 ARG HB2 1 15 HIS H . . 3.800 3.248 2.885 3.344 . 0 0 "[ . 1 . 2 ]" 1
116 1 14 ARG HB3 1 14 ARG HE . . 4.100 3.296 2.321 4.103 0.003 6 0 "[ . 1 . 2 ]" 1
117 1 14 ARG HB3 1 15 HIS H . . 3.400 3.360 2.994 3.414 0.014 15 0 "[ . 1 . 2 ]" 1
118 1 14 ARG QG 1 15 HIS H . . 6.200 4.602 4.439 4.674 . 0 0 "[ . 1 . 2 ]" 1
119 1 15 HIS H 1 15 HIS HB2 . . 3.700 2.135 2.007 2.588 . 0 0 "[ . 1 . 2 ]" 1
120 1 15 HIS H 1 15 HIS QB . . 3.390 2.113 1.990 2.528 . 0 0 "[ . 1 . 2 ]" 1
121 1 15 HIS H 1 15 HIS HB3 . . 3.700 3.391 3.265 3.544 . 0 0 "[ . 1 . 2 ]" 1
122 1 15 HIS H 1 15 HIS HD2 . . 3.700 3.480 2.324 3.728 0.028 16 0 "[ . 1 . 2 ]" 1
123 1 15 HIS HA 1 15 HIS HD2 . . 3.800 2.856 2.021 3.842 0.042 21 0 "[ . 1 . 2 ]" 1
124 1 15 HIS HA 1 15 HIS HE1 . . 6.000 5.308 4.790 5.921 . 0 0 "[ . 1 . 2 ]" 1
125 1 15 HIS HA 1 16 ASP H . . 3.500 3.556 3.229 3.642 0.142 12 0 "[ . 1 . 2 ]" 1
126 1 15 HIS QB 1 15 HIS HD2 . . 3.490 3.077 2.696 3.331 . 0 0 "[ . 1 . 2 ]" 1
127 1 15 HIS HB2 1 15 HIS HD2 . . 3.700 3.339 2.754 3.739 0.039 1 0 "[ . 1 . 2 ]" 1
128 1 15 HIS HB2 1 16 ASP H . . 3.600 2.913 2.002 3.530 . 0 0 "[ . 1 . 2 ]" 1
129 1 15 HIS HB3 1 15 HIS HD2 . . 3.700 3.789 3.737 3.985 0.285 14 0 "[ . 1 . 2 ]" 1
130 1 15 HIS HB3 1 16 ASP H . . 3.600 3.001 1.977 3.607 0.007 23 0 "[ . 1 . 2 ]" 1
131 1 16 ASP H 1 16 ASP HB2 . . 3.300 3.269 2.984 3.448 0.148 19 0 "[ . 1 . 2 ]" 1
132 1 16 ASP H 1 16 ASP QB . . 3.080 2.915 2.824 2.974 . 0 0 "[ . 1 . 2 ]" 1
133 1 16 ASP H 1 16 ASP HB3 . . 3.300 3.315 3.072 3.486 0.186 20 0 "[ . 1 . 2 ]" 1
134 1 16 ASP HA 1 16 ASP QB . . 2.750 2.203 2.178 2.303 . 0 0 "[ . 1 . 2 ]" 1
135 1 16 ASP HA 1 17 GLU H . . 2.600 2.349 2.288 2.615 0.015 14 0 "[ . 1 . 2 ]" 1
136 1 16 ASP HA 1 19 ARG HG2 . . 6.000 6.020 5.760 6.103 0.103 21 0 "[ . 1 . 2 ]" 1
137 1 16 ASP HB2 1 17 GLU H . . 3.500 3.425 3.185 3.598 0.098 15 0 "[ . 1 . 2 ]" 1
138 1 16 ASP HB3 1 17 GLU H . . 3.500 3.552 3.261 3.664 0.164 15 0 "[ . 1 . 2 ]" 1
139 1 17 GLU H 1 17 GLU HA . . 2.900 2.845 2.695 2.870 . 0 0 "[ . 1 . 2 ]" 1
140 1 17 GLU H 1 17 GLU HB2 . . 3.200 2.120 2.024 2.151 . 0 0 "[ . 1 . 2 ]" 1
141 1 17 GLU H 1 17 GLU HB3 . . 3.400 3.334 3.207 3.416 0.016 2 0 "[ . 1 . 2 ]" 1
142 1 17 GLU H 1 17 GLU QG . . 4.600 3.347 3.110 3.804 . 0 0 "[ . 1 . 2 ]" 1
143 1 17 GLU HA 1 17 GLU HB2 . . 3.000 2.939 2.851 2.985 . 0 0 "[ . 1 . 2 ]" 1
144 1 17 GLU HA 1 17 GLU HB3 . . 2.800 2.805 2.742 2.908 0.108 15 0 "[ . 1 . 2 ]" 1
145 1 17 GLU HA 1 18 LYS H . . 3.600 3.554 3.475 3.616 0.016 3 0 "[ . 1 . 2 ]" 1
146 1 17 GLU HA 1 20 ASN QB . . 5.300 4.366 3.412 4.891 . 0 0 "[ . 1 . 2 ]" 1
147 1 17 GLU HB2 1 18 LYS H . . 3.600 2.835 2.336 3.636 0.036 15 0 "[ . 1 . 2 ]" 1
148 1 17 GLU HB3 1 18 LYS H . . 3.400 2.630 1.946 3.496 0.096 15 0 "[ . 1 . 2 ]" 1
149 1 17 GLU QG 1 18 LYS H . . 6.400 4.246 3.899 4.728 . 0 0 "[ . 1 . 2 ]" 1
150 1 18 LYS H 1 18 LYS HB2 . . 4.200 2.199 2.144 2.260 . 0 0 "[ . 1 . 2 ]" 1
151 1 18 LYS H 1 18 LYS QB . . 3.720 2.177 2.124 2.235 . 0 0 "[ . 1 . 2 ]" 1
152 1 18 LYS H 1 18 LYS HB3 . . 4.200 3.477 3.437 3.522 . 0 0 "[ . 1 . 2 ]" 1
153 1 18 LYS H 1 18 LYS QD . . 6.200 4.544 4.257 4.694 . 0 0 "[ . 1 . 2 ]" 1
154 1 18 LYS H 1 18 LYS HG2 . . 3.700 3.511 3.358 3.683 . 0 0 "[ . 1 . 2 ]" 1
155 1 18 LYS H 1 18 LYS QG . . 3.300 2.949 2.702 3.033 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 LYS H 1 18 LYS HG3 . . 3.700 3.186 2.779 3.413 . 0 0 "[ . 1 . 2 ]" 1
157 1 18 LYS HA 1 18 LYS HB2 . . 3.000 3.000 2.985 3.016 0.016 12 0 "[ . 1 . 2 ]" 1
158 1 18 LYS HA 1 18 LYS HB3 . . 3.000 2.642 2.590 2.678 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 LYS HA 1 18 LYS QD . . 4.900 3.465 3.210 3.836 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 LYS HA 1 18 LYS HG2 . . 3.400 2.081 2.025 2.226 . 0 0 "[ . 1 . 2 ]" 1
161 1 18 LYS HA 1 18 LYS QG . . 3.080 2.057 2.005 2.170 . 0 0 "[ . 1 . 2 ]" 1
162 1 18 LYS HA 1 18 LYS HG3 . . 3.400 3.256 3.007 3.391 . 0 0 "[ . 1 . 2 ]" 1
163 1 18 LYS HA 1 19 ARG H . . 3.500 3.165 2.785 3.345 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 LYS HA 1 21 ILE H . . 4.000 4.007 3.844 4.061 0.061 20 0 "[ . 1 . 2 ]" 1
165 1 18 LYS QB 1 19 ARG H . . 4.580 3.675 3.450 3.978 . 0 0 "[ . 1 . 2 ]" 1
166 1 18 LYS HG2 1 19 ARG H . . 6.000 4.944 4.739 5.161 . 0 0 "[ . 1 . 2 ]" 1
167 1 18 LYS HG3 1 19 ARG H . . 6.000 5.368 4.981 5.607 . 0 0 "[ . 1 . 2 ]" 1
168 1 19 ARG H 1 19 ARG HB2 . . 3.400 2.239 2.098 2.394 . 0 0 "[ . 1 . 2 ]" 1
169 1 19 ARG H 1 19 ARG QB . . 3.130 2.213 2.079 2.360 . 0 0 "[ . 1 . 2 ]" 1
170 1 19 ARG H 1 19 ARG HB3 . . 3.400 3.473 3.401 3.573 0.173 15 0 "[ . 1 . 2 ]" 1
171 1 19 ARG H 1 19 ARG QD . . 6.000 4.736 4.573 4.946 . 0 0 "[ . 1 . 2 ]" 1
172 1 19 ARG H 1 19 ARG HG2 . . 3.600 3.668 3.556 3.761 0.161 14 0 "[ . 1 . 2 ]" 1
173 1 19 ARG H 1 19 ARG HG3 . . 3.600 3.520 3.251 3.650 0.050 14 0 "[ . 1 . 2 ]" 1
174 1 19 ARG H 1 20 ASN H . . 3.600 2.176 1.867 2.635 . 0 0 "[ . 1 . 2 ]" 1
175 1 19 ARG HA 1 19 ARG QB . . 2.750 2.535 2.515 2.556 . 0 0 "[ . 1 . 2 ]" 1
176 1 19 ARG HA 1 19 ARG HE . . 6.000 3.692 2.638 5.447 . 0 0 "[ . 1 . 2 ]" 1
177 1 19 ARG HA 1 19 ARG HG2 . . 2.900 2.072 2.025 2.117 . 0 0 "[ . 1 . 2 ]" 1
178 1 19 ARG HA 1 19 ARG HG3 . . 3.200 3.315 3.208 3.370 0.170 15 0 "[ . 1 . 2 ]" 1
179 1 19 ARG HA 1 20 ASN H . . 3.400 3.419 3.364 3.465 0.065 15 0 "[ . 1 . 2 ]" 1
180 1 19 ARG HA 1 21 ILE H . . 4.000 3.627 3.362 3.848 . 0 0 "[ . 1 . 2 ]" 1
181 1 19 ARG HA 1 22 TYR QB . . 5.880 4.724 4.204 4.983 . 0 0 "[ . 1 . 2 ]" 1
182 1 19 ARG HA 1 22 TYR QD . . 8.000 3.923 3.565 4.025 . 0 0 "[ . 1 . 2 ]" 1
183 1 19 ARG QB 1 20 ASN H . . 3.700 3.244 3.132 3.357 . 0 0 "[ . 1 . 2 ]" 1
184 1 19 ARG QB 1 20 ASN HA . . 6.880 4.067 3.990 4.128 . 0 0 "[ . 1 . 2 ]" 1
185 1 19 ARG HB2 1 19 ARG HE . . 4.300 4.001 3.103 4.316 0.016 17 0 "[ . 1 . 2 ]" 1
186 1 19 ARG HB2 1 20 ASN H . . 3.900 3.457 3.298 3.613 . 0 0 "[ . 1 . 2 ]" 1
187 1 19 ARG HB3 1 19 ARG HE . . 4.300 3.086 2.309 4.203 . 0 0 "[ . 1 . 2 ]" 1
188 1 19 ARG HB3 1 20 ASN H . . 3.900 3.933 3.900 4.023 0.123 22 0 "[ . 1 . 2 ]" 1
189 1 19 ARG HE 1 19 ARG HG3 . . 4.100 3.305 2.074 4.054 . 0 0 "[ . 1 . 2 ]" 1
190 1 19 ARG HG2 1 20 ASN H . . 6.000 5.002 4.949 5.061 . 0 0 "[ . 1 . 2 ]" 1
191 1 19 ARG HG3 1 20 ASN H . . 6.000 5.261 5.108 5.439 . 0 0 "[ . 1 . 2 ]" 1
192 1 20 ASN H 1 20 ASN QB . . 3.700 2.465 2.326 2.869 . 0 0 "[ . 1 . 2 ]" 1
193 1 20 ASN H 1 20 ASN HD21 . . 4.900 4.398 2.070 4.906 0.006 24 0 "[ . 1 . 2 ]" 1
194 1 20 ASN H 1 21 ILE H . . 3.300 2.633 2.491 2.699 . 0 0 "[ . 1 . 2 ]" 1
195 1 20 ASN H 1 21 ILE MD . . 6.600 4.133 3.519 5.452 . 0 0 "[ . 1 . 2 ]" 1
196 1 20 ASN HA 1 20 ASN HD21 . . 4.800 3.779 2.230 4.585 . 0 0 "[ . 1 . 2 ]" 1
197 1 20 ASN HA 1 21 ILE H . . 3.000 2.991 2.884 3.086 0.086 19 0 "[ . 1 . 2 ]" 1
198 1 20 ASN HA 1 21 ILE MD . . 7.000 4.579 4.202 5.500 . 0 0 "[ . 1 . 2 ]" 1
199 1 20 ASN HA 1 23 GLN H . . 5.400 3.845 3.464 4.195 . 0 0 "[ . 1 . 2 ]" 1
200 1 20 ASN HA 1 23 GLN HB2 . . 6.000 4.320 2.984 5.667 . 0 0 "[ . 1 . 2 ]" 1
201 1 20 ASN HA 1 23 GLN HB3 . . 5.100 4.671 3.410 5.118 0.018 22 0 "[ . 1 . 2 ]" 1
202 1 20 ASN HA 1 23 GLN QG . . 7.000 5.800 3.947 6.277 . 0 0 "[ . 1 . 2 ]" 1
203 1 20 ASN QB 1 22 TYR QE . . 8.000 4.046 3.414 4.471 . 0 0 "[ . 1 . 2 ]" 1
204 1 21 ILE H 1 21 ILE HB . . 3.500 3.522 3.429 3.683 0.183 20 0 "[ . 1 . 2 ]" 1
205 1 21 ILE H 1 21 ILE MD . . 3.900 2.252 1.868 3.352 . 0 0 "[ . 1 . 2 ]" 1
206 1 21 ILE H 1 21 ILE QG . . 4.400 2.045 1.809 3.619 . 0 0 "[ . 1 . 2 ]" 1
207 1 21 ILE H 1 21 ILE MG . . 4.000 3.001 1.883 3.400 . 0 0 "[ . 1 . 2 ]" 1
208 1 21 ILE H 1 22 TYR H . . 3.400 2.052 1.884 2.444 . 0 0 "[ . 1 . 2 ]" 1
209 1 21 ILE HA 1 21 ILE HB . . 2.700 2.581 2.215 2.713 0.013 8 0 "[ . 1 . 2 ]" 1
210 1 21 ILE HA 1 21 ILE MD . . 4.200 3.501 3.453 3.561 . 0 0 "[ . 1 . 2 ]" 1
211 1 21 ILE HA 1 22 TYR H . . 3.600 3.566 3.504 3.633 0.033 16 0 "[ . 1 . 2 ]" 1
212 1 21 ILE HA 1 23 GLN H . . 4.200 4.109 3.849 4.225 0.025 8 0 "[ . 1 . 2 ]" 1
213 1 21 ILE HA 1 24 LYS H . . 5.200 3.142 2.824 3.983 . 0 0 "[ . 1 . 2 ]" 1
214 1 21 ILE HB 1 21 ILE MD . . 3.400 2.280 2.114 3.201 . 0 0 "[ . 1 . 2 ]" 1
215 1 21 ILE HB 1 22 TYR H . . 4.800 3.691 3.417 4.365 . 0 0 "[ . 1 . 2 ]" 1
216 1 21 ILE HB 1 22 TYR QD . . 7.000 5.374 5.215 6.050 . 0 0 "[ . 1 . 2 ]" 1
217 1 21 ILE HB 1 22 TYR QE . . 8.300 7.297 7.210 7.546 . 0 0 "[ . 1 . 2 ]" 1
218 1 21 ILE MD 1 22 TYR H . . 3.400 1.819 1.740 1.890 . 0 0 "[ . 1 . 2 ]" 1
219 1 21 ILE MD 1 22 TYR HA . . 7.000 2.652 2.248 2.948 . 0 0 "[ . 1 . 2 ]" 1
220 1 21 ILE MD 1 22 TYR QD . . 6.000 3.068 2.795 3.460 . 0 0 "[ . 1 . 2 ]" 1
221 1 21 ILE MD 1 22 TYR QE . . 7.300 5.060 4.817 5.425 . 0 0 "[ . 1 . 2 ]" 1
222 1 21 ILE MD 1 23 GLN H . . 5.100 4.159 4.104 4.210 . 0 0 "[ . 1 . 2 ]" 1
223 1 21 ILE QG 1 22 TYR H . . 7.000 2.956 1.918 3.404 . 0 0 "[ . 1 . 2 ]" 1
224 1 21 ILE QG 1 22 TYR QD . . 8.000 4.007 3.120 5.112 . 0 0 "[ . 1 . 2 ]" 1
225 1 21 ILE MG 1 22 TYR H . . 7.000 4.135 3.229 4.341 . 0 0 "[ . 1 . 2 ]" 1
226 1 22 TYR H 1 22 TYR HB2 . . 3.400 3.414 3.374 3.445 0.045 22 0 "[ . 1 . 2 ]" 1
227 1 22 TYR H 1 22 TYR QB . . 3.180 2.120 2.028 2.222 . 0 0 "[ . 1 . 2 ]" 1
228 1 22 TYR H 1 22 TYR HB3 . . 3.400 2.141 2.045 2.250 . 0 0 "[ . 1 . 2 ]" 1
229 1 22 TYR H 1 23 GLN H . . 4.600 2.887 2.833 3.016 . 0 0 "[ . 1 . 2 ]" 1
230 1 22 TYR HA 1 22 TYR QE . . 5.900 5.734 5.701 5.748 . 0 0 "[ . 1 . 2 ]" 1
231 1 22 TYR HA 1 23 GLN H . . 3.500 3.611 3.594 3.623 0.123 22 0 "[ . 1 . 2 ]" 1
232 1 22 TYR HA 1 25 ILE H . . 4.000 3.790 3.270 4.001 0.001 23 0 "[ . 1 . 2 ]" 1
233 1 22 TYR HA 1 25 ILE HB . . 3.600 3.545 2.396 3.666 0.066 20 0 "[ . 1 . 2 ]" 1
234 1 22 TYR HA 1 25 ILE MD . . 7.000 2.003 1.842 2.218 . 0 0 "[ . 1 . 2 ]" 1
235 1 22 TYR HA 1 25 ILE QG . . 6.880 4.235 3.894 4.530 . 0 0 "[ . 1 . 2 ]" 1
236 1 22 TYR QB 1 23 GLN H . . 3.650 3.334 3.275 3.390 . 0 0 "[ . 1 . 2 ]" 1
237 1 22 TYR HB2 1 23 GLN H . . 3.900 3.785 3.609 3.943 0.043 16 0 "[ . 1 . 2 ]" 1
238 1 22 TYR HB3 1 23 GLN H . . 3.900 3.704 3.568 3.765 . 0 0 "[ . 1 . 2 ]" 1
239 1 22 TYR QD 1 23 GLN H . . 6.600 2.626 2.297 2.800 . 0 0 "[ . 1 . 2 ]" 1
240 1 22 TYR QD 1 23 GLN HA . . 8.000 3.450 2.717 3.817 . 0 0 "[ . 1 . 2 ]" 1
241 1 22 TYR QD 1 23 GLN QG . . 8.000 4.304 3.530 5.189 . 0 0 "[ . 1 . 2 ]" 1
242 1 22 TYR QD 1 25 ILE MD . . 8.000 4.601 4.518 4.847 . 0 0 "[ . 1 . 2 ]" 1
243 1 22 TYR QE 1 24 LYS HA . . 8.000 7.389 7.293 7.559 . 0 0 "[ . 1 . 2 ]" 1
244 1 22 TYR QE 1 26 ARG QD . . 10.000 5.273 3.171 6.293 . 0 0 "[ . 1 . 2 ]" 1
245 1 23 GLN H 1 23 GLN HB2 . . 3.100 2.295 2.051 2.839 . 0 0 "[ . 1 . 2 ]" 1
246 1 23 GLN H 1 23 GLN HB3 . . 3.300 2.771 2.216 3.241 . 0 0 "[ . 1 . 2 ]" 1
247 1 23 GLN H 1 23 GLN QG . . 4.400 3.787 3.372 3.977 . 0 0 "[ . 1 . 2 ]" 1
248 1 23 GLN H 1 24 LYS H . . 4.000 2.577 2.450 2.967 . 0 0 "[ . 1 . 2 ]" 1
249 1 23 GLN HA 1 23 GLN HB2 . . 3.000 2.637 2.358 2.895 . 0 0 "[ . 1 . 2 ]" 1
250 1 23 GLN HA 1 23 GLN HB3 . . 3.000 3.005 2.864 3.048 0.048 17 0 "[ . 1 . 2 ]" 1
251 1 23 GLN HA 1 23 GLN QG . . 4.000 2.308 1.996 3.149 . 0 0 "[ . 1 . 2 ]" 1
252 1 23 GLN HA 1 24 LYS H . . 3.500 3.470 3.319 3.585 0.085 20 0 "[ . 1 . 2 ]" 1
253 1 23 GLN HB2 1 24 LYS H . . 4.900 3.982 3.399 4.327 . 0 0 "[ . 1 . 2 ]" 1
254 1 23 GLN HB3 1 24 LYS H . . 4.100 3.300 2.835 3.721 . 0 0 "[ . 1 . 2 ]" 1
255 1 23 GLN QG 1 24 LYS H . . 7.000 4.363 3.598 4.737 . 0 0 "[ . 1 . 2 ]" 1
256 1 24 LYS H 1 24 LYS HB2 . . 3.100 2.162 2.005 2.411 . 0 0 "[ . 1 . 2 ]" 1
257 1 24 LYS H 1 24 LYS HB3 . . 3.300 2.977 2.773 3.143 . 0 0 "[ . 1 . 2 ]" 1
258 1 24 LYS H 1 24 LYS QD . . 5.100 4.147 3.369 4.553 . 0 0 "[ . 1 . 2 ]" 1
259 1 24 LYS H 1 24 LYS QG . . 5.100 3.783 3.479 3.990 . 0 0 "[ . 1 . 2 ]" 1
260 1 24 LYS H 1 25 ILE H . . 4.400 2.740 2.487 3.127 . 0 0 "[ . 1 . 2 ]" 1
261 1 24 LYS HA 1 24 LYS HB2 . . 2.900 2.746 2.638 2.811 . 0 0 "[ . 1 . 2 ]" 1
262 1 24 LYS HA 1 24 LYS HB3 . . 3.000 2.946 2.904 3.001 0.001 11 0 "[ . 1 . 2 ]" 1
263 1 24 LYS HA 1 24 LYS QD . . 5.000 3.546 2.184 3.997 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 LYS HA 1 27 ASP HB2 . . 3.400 2.536 2.213 3.241 . 0 0 "[ . 1 . 2 ]" 1
265 1 24 LYS HA 1 27 ASP HB3 . . 3.500 3.405 2.751 3.505 0.005 24 0 "[ . 1 . 2 ]" 1
266 1 24 LYS HB2 1 25 ILE H . . 3.600 3.220 3.040 3.435 . 0 0 "[ . 1 . 2 ]" 1
267 1 24 LYS HB3 1 25 ILE H . . 3.100 2.280 2.162 2.473 . 0 0 "[ . 1 . 2 ]" 1
268 1 24 LYS QG 1 25 ILE H . . 6.400 4.049 3.791 4.392 . 0 0 "[ . 1 . 2 ]" 1
269 1 25 ILE H 1 25 ILE HB . . 3.000 2.684 2.630 2.713 . 0 0 "[ . 1 . 2 ]" 1
270 1 25 ILE H 1 25 ILE MD . . 4.600 1.975 1.873 2.354 . 0 0 "[ . 1 . 2 ]" 1
271 1 25 ILE H 1 25 ILE HG12 . . 3.300 3.417 3.404 3.449 0.149 20 0 "[ . 1 . 2 ]" 1
272 1 25 ILE H 1 25 ILE QG . . 3.080 2.071 1.932 2.177 . 0 0 "[ . 1 . 2 ]" 1
273 1 25 ILE H 1 25 ILE HG13 . . 3.300 2.089 1.942 2.201 . 0 0 "[ . 1 . 2 ]" 1
274 1 25 ILE H 1 25 ILE MG . . 4.600 3.687 3.683 3.704 . 0 0 "[ . 1 . 2 ]" 1
275 1 25 ILE H 1 26 ARG H . . 4.100 2.959 2.917 3.149 . 0 0 "[ . 1 . 2 ]" 1
276 1 25 ILE HA 1 25 ILE MD . . 4.300 3.657 3.614 3.796 . 0 0 "[ . 1 . 2 ]" 1
277 1 25 ILE HA 1 25 ILE HG12 . . 3.500 3.431 3.187 3.470 . 0 0 "[ . 1 . 2 ]" 1
278 1 25 ILE HA 1 25 ILE QG . . 3.240 2.459 2.435 2.469 . 0 0 "[ . 1 . 2 ]" 1
279 1 25 ILE HA 1 25 ILE HG13 . . 3.500 2.520 2.490 2.539 . 0 0 "[ . 1 . 2 ]" 1
280 1 25 ILE HA 1 26 ARG H . . 3.500 3.626 3.615 3.640 0.140 16 0 "[ . 1 . 2 ]" 1
281 1 25 ILE HA 1 28 HIS HB2 . . 3.800 2.582 2.281 3.992 0.192 24 0 "[ . 1 . 2 ]" 1
282 1 25 ILE HA 1 28 HIS QB . . 3.600 2.475 2.256 2.778 . 0 0 "[ . 1 . 2 ]" 1
283 1 25 ILE HA 1 28 HIS HB3 . . 3.800 3.618 2.443 3.814 0.014 16 0 "[ . 1 . 2 ]" 1
284 1 25 ILE HB 1 25 ILE MD . . 3.400 2.029 1.930 2.122 . 0 0 "[ . 1 . 2 ]" 1
285 1 25 ILE HB 1 26 ARG H . . 3.300 2.494 2.183 2.599 . 0 0 "[ . 1 . 2 ]" 1
286 1 25 ILE MD 1 26 ARG H . . 4.500 3.210 3.065 3.635 . 0 0 "[ . 1 . 2 ]" 1
287 1 25 ILE QG 1 26 ARG H . . 5.410 4.174 4.112 4.229 . 0 0 "[ . 1 . 2 ]" 1
288 1 25 ILE HG12 1 26 ARG H . . 6.000 5.034 4.823 5.146 . 0 0 "[ . 1 . 2 ]" 1
289 1 25 ILE HG13 1 26 ARG H . . 6.000 4.457 4.376 4.527 . 0 0 "[ . 1 . 2 ]" 1
290 1 25 ILE MG 1 26 ARG H . . 4.400 3.609 3.293 3.672 . 0 0 "[ . 1 . 2 ]" 1
291 1 26 ARG H 1 26 ARG HB2 . . 3.400 2.096 2.072 2.119 . 0 0 "[ . 1 . 2 ]" 1
292 1 26 ARG H 1 26 ARG HB3 . . 3.400 3.400 3.368 3.415 0.015 22 0 "[ . 1 . 2 ]" 1
293 1 26 ARG H 1 26 ARG QD . . 5.100 4.513 4.455 4.568 . 0 0 "[ . 1 . 2 ]" 1
294 1 26 ARG H 1 26 ARG HG2 . . 3.600 3.605 3.595 3.635 0.035 16 0 "[ . 1 . 2 ]" 1
295 1 26 ARG H 1 26 ARG HG3 . . 3.600 3.197 3.111 3.332 . 0 0 "[ . 1 . 2 ]" 1
296 1 26 ARG HA 1 26 ARG QD . . 5.100 3.814 3.540 3.971 . 0 0 "[ . 1 . 2 ]" 1
297 1 26 ARG HA 1 26 ARG HG2 . . 3.100 2.022 1.996 2.054 . 0 0 "[ . 1 . 2 ]" 1
298 1 26 ARG HA 1 26 ARG HG3 . . 3.100 3.105 3.098 3.126 0.026 16 0 "[ . 1 . 2 ]" 1
299 1 26 ARG HA 1 27 ASP H . . 3.500 3.537 3.511 3.644 0.144 24 0 "[ . 1 . 2 ]" 1
300 1 26 ARG HA 1 28 HIS H . . 3.900 3.833 3.718 4.064 0.164 24 0 "[ . 1 . 2 ]" 1
301 1 26 ARG HA 1 29 ASP HB2 . . 3.700 2.671 2.157 3.639 . 0 0 "[ . 1 . 2 ]" 1
302 1 26 ARG HA 1 29 ASP QB . . 3.490 2.576 2.109 3.212 . 0 0 "[ . 1 . 2 ]" 1
303 1 26 ARG HA 1 29 ASP HB3 . . 3.700 3.566 2.960 3.751 0.051 24 0 "[ . 1 . 2 ]" 1
304 1 26 ARG QB 1 26 ARG HE . . 4.010 2.951 2.396 3.595 . 0 0 "[ . 1 . 2 ]" 1
305 1 26 ARG HB2 1 26 ARG HE . . 4.200 3.963 3.758 4.143 . 0 0 "[ . 1 . 2 ]" 1
306 1 26 ARG HB2 1 27 ASP H . . 3.500 3.225 2.829 3.367 . 0 0 "[ . 1 . 2 ]" 1
307 1 26 ARG HB3 1 26 ARG HE . . 4.200 3.176 2.420 4.187 . 0 0 "[ . 1 . 2 ]" 1
308 1 26 ARG HB3 1 27 ASP H . . 3.500 3.469 2.695 3.507 0.007 2 0 "[ . 1 . 2 ]" 1
309 1 26 ARG HE 1 26 ARG HG2 . . 4.100 2.698 2.251 3.877 . 0 0 "[ . 1 . 2 ]" 1
310 1 26 ARG HE 1 26 ARG HG3 . . 4.100 3.130 2.063 4.037 . 0 0 "[ . 1 . 2 ]" 1
311 1 26 ARG QG 1 27 ASP H . . 5.180 4.548 4.335 4.605 . 0 0 "[ . 1 . 2 ]" 1
312 1 26 ARG HG2 1 27 ASP H . . 5.400 5.039 4.807 5.052 . 0 0 "[ . 1 . 2 ]" 1
313 1 26 ARG HG3 1 27 ASP H . . 5.400 5.177 4.929 5.309 . 0 0 "[ . 1 . 2 ]" 1
314 1 27 ASP H 1 27 ASP HB2 . . 3.000 2.112 2.067 2.216 . 0 0 "[ . 1 . 2 ]" 1
315 1 27 ASP H 1 27 ASP HB3 . . 3.000 2.946 2.762 3.015 0.015 16 0 "[ . 1 . 2 ]" 1
316 1 27 ASP H 1 28 HIS H . . 3.800 2.422 2.343 2.824 . 0 0 "[ . 1 . 2 ]" 1
317 1 27 ASP HA 1 27 ASP HB3 . . 3.000 2.986 2.966 3.050 0.050 24 0 "[ . 1 . 2 ]" 1
318 1 27 ASP HA 1 28 HIS H . . 3.500 3.507 3.478 3.591 0.091 24 0 "[ . 1 . 2 ]" 1
319 1 27 ASP HA 1 30 LEU QB . . 5.200 3.431 2.502 4.254 . 0 0 "[ . 1 . 2 ]" 1
320 1 27 ASP HA 1 30 LEU MD1 . . 6.900 2.220 1.791 3.475 . 0 0 "[ . 1 . 2 ]" 1
321 1 27 ASP HA 1 30 LEU MD2 . . 6.800 4.569 3.669 5.740 . 0 0 "[ . 1 . 2 ]" 1
322 1 27 ASP HA 1 30 LEU HG . . 4.800 3.391 2.282 4.809 0.009 8 0 "[ . 1 . 2 ]" 1
323 1 27 ASP HB2 1 28 HIS H . . 3.700 3.674 3.519 3.767 0.067 24 0 "[ . 1 . 2 ]" 1
324 1 27 ASP HB3 1 28 HIS H . . 3.500 3.194 2.684 3.328 . 0 0 "[ . 1 . 2 ]" 1
325 1 27 ASP HB3 1 28 HIS HD2 . . 5.600 4.237 3.766 5.947 0.347 24 0 "[ . 1 . 2 ]" 1
326 1 28 HIS H 1 28 HIS HB2 . . 3.500 2.190 2.033 3.329 . 0 0 "[ . 1 . 2 ]" 1
327 1 28 HIS H 1 28 HIS QB . . 3.290 2.100 2.006 2.234 . 0 0 "[ . 1 . 2 ]" 1
328 1 28 HIS H 1 28 HIS HB3 . . 3.500 3.051 2.034 3.227 . 0 0 "[ . 1 . 2 ]" 1
329 1 28 HIS H 1 28 HIS HD2 . . 4.300 4.217 3.290 4.312 0.012 16 0 "[ . 1 . 2 ]" 1
330 1 28 HIS H 1 29 ASP H . . 3.700 2.334 2.182 2.656 . 0 0 "[ . 1 . 2 ]" 1
331 1 28 HIS HA 1 28 HIS HD2 . . 4.200 2.343 2.203 4.316 0.116 24 0 "[ . 1 . 2 ]" 1
332 1 28 HIS HA 1 28 HIS HE1 . . 6.000 5.521 5.459 6.262 0.262 24 0 "[ . 1 . 2 ]" 1
333 1 28 HIS HA 1 29 ASP H . . 3.600 3.495 3.306 3.602 0.002 14 0 "[ . 1 . 2 ]" 1
334 1 28 HIS HA 1 31 LEU H . . 4.200 3.618 3.162 4.014 . 0 0 "[ . 1 . 2 ]" 1
335 1 28 HIS HA 1 31 LEU QB . . 4.800 3.883 2.923 4.349 . 0 0 "[ . 1 . 2 ]" 1
336 1 28 HIS HA 1 31 LEU HG . . 4.500 3.925 2.364 4.513 0.013 9 0 "[ . 1 . 2 ]" 1
337 1 28 HIS HB2 1 28 HIS HD2 . . 4.000 3.420 3.352 4.000 . 24 0 "[ . 1 . 2 ]" 1
338 1 28 HIS HB2 1 28 HIS HE1 . . 5.100 5.081 4.763 5.115 0.015 18 0 "[ . 1 . 2 ]" 1
339 1 28 HIS HB2 1 29 ASP H . . 4.100 3.655 3.274 4.295 0.195 24 0 "[ . 1 . 2 ]" 1
340 1 28 HIS HB3 1 28 HIS HD2 . . 4.000 3.922 3.179 3.968 . 0 0 "[ . 1 . 2 ]" 1
341 1 28 HIS HB3 1 28 HIS HE1 . . 5.100 4.808 4.782 5.196 0.096 24 0 "[ . 1 . 2 ]" 1
342 1 28 HIS HB3 1 29 ASP H . . 4.100 3.398 2.889 3.922 . 0 0 "[ . 1 . 2 ]" 1
343 1 28 HIS HD2 1 31 LEU QD . . 8.570 2.795 2.113 4.943 . 0 0 "[ . 1 . 2 ]" 1
344 1 28 HIS HE1 1 31 LEU QD . . 8.570 4.692 3.927 5.817 . 0 0 "[ . 1 . 2 ]" 1
345 1 29 ASP H 1 29 ASP HB2 . . 3.100 2.184 2.032 2.595 . 0 0 "[ . 1 . 2 ]" 1
346 1 29 ASP H 1 29 ASP QB . . 2.820 2.099 2.006 2.267 . 0 0 "[ . 1 . 2 ]" 1
347 1 29 ASP H 1 29 ASP HB3 . . 3.100 2.872 2.322 3.090 . 0 0 "[ . 1 . 2 ]" 1
348 1 29 ASP H 1 30 LEU H . . 3.300 2.506 1.986 3.107 . 0 0 "[ . 1 . 2 ]" 1
349 1 29 ASP HA 1 30 LEU H . . 3.500 3.569 3.534 3.654 0.154 18 0 "[ . 1 . 2 ]" 1
350 1 29 ASP HA 1 31 LEU H . . 3.900 3.623 3.378 3.943 0.043 18 0 "[ . 1 . 2 ]" 1
351 1 29 ASP QB 1 30 LEU H . . 3.340 2.706 1.939 2.927 . 0 0 "[ . 1 . 2 ]" 1
352 1 29 ASP HB2 1 30 LEU H . . 3.600 3.554 3.049 3.667 0.067 24 0 "[ . 1 . 2 ]" 1
353 1 29 ASP HB3 1 30 LEU H . . 3.600 2.831 1.949 3.102 . 0 0 "[ . 1 . 2 ]" 1
354 1 30 LEU H 1 30 LEU HA . . 2.700 2.778 2.756 2.814 0.114 2 0 "[ . 1 . 2 ]" 1
355 1 30 LEU H 1 30 LEU MD1 . . 5.000 3.283 2.949 3.595 . 0 0 "[ . 1 . 2 ]" 1
356 1 30 LEU H 1 30 LEU MD2 . . 4.800 3.612 3.263 3.841 . 0 0 "[ . 1 . 2 ]" 1
357 1 30 LEU H 1 30 LEU HG . . 2.800 2.283 1.942 2.484 . 0 0 "[ . 1 . 2 ]" 1
358 1 30 LEU H 1 31 LEU H . . 3.300 2.668 2.580 2.715 . 0 0 "[ . 1 . 2 ]" 1
359 1 30 LEU HA 1 30 LEU MD1 . . 4.800 3.888 3.849 3.973 . 0 0 "[ . 1 . 2 ]" 1
360 1 30 LEU HA 1 30 LEU MD2 . . 3.600 2.268 2.000 2.617 . 0 0 "[ . 1 . 2 ]" 1
361 1 30 LEU HA 1 30 LEU HG . . 3.000 2.829 2.631 3.020 0.020 24 0 "[ . 1 . 2 ]" 1
362 1 30 LEU QB 1 31 LEU H . . 4.700 3.104 2.886 3.284 . 0 0 "[ . 1 . 2 ]" 1
363 1 30 LEU HG 1 31 LEU H . . 4.700 4.616 4.342 4.717 0.017 22 0 "[ . 1 . 2 ]" 1
364 1 31 LEU H 1 31 LEU MD1 . . 5.200 2.860 2.429 3.649 . 0 0 "[ . 1 . 2 ]" 1
365 1 31 LEU H 1 31 LEU QD . . 4.600 2.800 2.408 3.475 . 0 0 "[ . 1 . 2 ]" 1
366 1 31 LEU H 1 31 LEU MD2 . . 5.200 4.134 3.915 4.391 . 0 0 "[ . 1 . 2 ]" 1
367 1 31 LEU H 1 31 LEU HG . . 3.300 2.848 2.401 3.328 0.028 21 0 "[ . 1 . 2 ]" 1
368 1 31 LEU H 1 32 ASP H . . 3.700 3.209 2.412 3.863 0.163 22 0 "[ . 1 . 2 ]" 1
369 1 31 LEU HA 1 31 LEU QD . . 4.000 2.850 2.583 2.984 . 0 0 "[ . 1 . 2 ]" 1
370 1 31 LEU HA 1 31 LEU HG . . 2.700 2.500 2.158 2.773 0.073 24 0 "[ . 1 . 2 ]" 1
371 1 31 LEU HA 1 32 ASP H . . 3.100 2.818 2.290 3.291 0.191 12 0 "[ . 1 . 2 ]" 1
372 1 31 LEU QB 1 32 ASP H . . 5.000 3.708 1.798 3.994 . 0 0 "[ . 1 . 2 ]" 1
373 1 31 LEU QD 1 32 ASP H . . 6.170 4.324 3.338 4.609 . 0 0 "[ . 1 . 2 ]" 1
374 1 31 LEU QD 1 32 ASP HA . . 8.570 5.269 4.876 5.708 . 0 0 "[ . 1 . 2 ]" 1
375 1 31 LEU HG 1 32 ASP H . . 4.500 4.584 4.387 4.687 0.187 6 0 "[ . 1 . 2 ]" 1
376 1 32 ASP H 1 32 ASP HB2 . . 3.300 2.484 2.011 3.475 0.175 4 0 "[ . 1 . 2 ]" 1
377 1 32 ASP H 1 32 ASP HB3 . . 3.300 3.237 3.012 3.474 0.174 11 0 "[ . 1 . 2 ]" 1
378 1 32 ASP HA 1 32 ASP HB2 . . 2.900 2.873 2.781 3.022 0.122 11 0 "[ . 1 . 2 ]" 1
379 1 32 ASP HA 1 32 ASP QB . . 2.660 2.495 2.177 2.574 . 0 0 "[ . 1 . 2 ]" 1
380 1 32 ASP HA 1 32 ASP HB3 . . 2.900 2.768 2.270 2.951 0.051 12 0 "[ . 1 . 2 ]" 1
381 1 32 ASP HA 1 33 LYS H . . 3.500 3.363 2.300 3.648 0.148 11 0 "[ . 1 . 2 ]" 1
382 1 32 ASP HA 1 34 ARG H . . 4.100 3.662 3.355 4.105 0.005 17 0 "[ . 1 . 2 ]" 1
383 1 32 ASP HA 1 35 LYS HB2 . . 4.900 3.395 1.996 4.964 0.064 19 0 "[ . 1 . 2 ]" 1
384 1 32 ASP HA 1 35 LYS QB . . 4.390 3.073 1.783 3.987 . 0 0 "[ . 1 . 2 ]" 1
385 1 32 ASP HA 1 35 LYS HB3 . . 4.900 3.894 2.003 4.812 . 0 0 "[ . 1 . 2 ]" 1
386 1 32 ASP QB 1 33 LYS H . . 3.440 2.961 1.952 3.185 . 0 0 "[ . 1 . 2 ]" 1
387 1 32 ASP HB2 1 33 LYS H . . 3.700 3.310 1.964 3.582 . 0 0 "[ . 1 . 2 ]" 1
388 1 32 ASP HB3 1 33 LYS H . . 3.700 3.437 2.678 3.729 0.029 11 0 "[ . 1 . 2 ]" 1
389 1 33 LYS H 1 33 LYS HB2 . . 3.100 2.120 2.101 2.215 . 0 0 "[ . 1 . 2 ]" 1
390 1 33 LYS H 1 33 LYS HB3 . . 3.400 3.425 3.411 3.491 0.091 17 0 "[ . 1 . 2 ]" 1
391 1 33 LYS H 1 33 LYS QD . . 4.700 4.270 4.262 4.293 . 0 0 "[ . 1 . 2 ]" 1
392 1 33 LYS H 1 33 LYS HG2 . . 3.700 3.652 3.002 3.723 0.023 17 0 "[ . 1 . 2 ]" 1
393 1 33 LYS H 1 33 LYS QG . . 3.490 2.862 2.843 2.882 . 0 0 "[ . 1 . 2 ]" 1
394 1 33 LYS H 1 33 LYS HG3 . . 3.700 3.037 2.950 3.711 0.011 8 0 "[ . 1 . 2 ]" 1
395 1 33 LYS HA 1 33 LYS HB2 . . 3.000 2.948 2.933 3.006 0.006 17 0 "[ . 1 . 2 ]" 1
396 1 33 LYS HA 1 33 LYS HB3 . . 2.800 2.746 2.626 2.773 . 0 0 "[ . 1 . 2 ]" 1
397 1 33 LYS HA 1 33 LYS QD . . 4.500 3.748 2.506 3.884 . 0 0 "[ . 1 . 2 ]" 1
398 1 33 LYS HA 1 33 LYS HG2 . . 3.400 2.087 2.065 2.237 . 0 0 "[ . 1 . 2 ]" 1
399 1 33 LYS HA 1 33 LYS QG . . 3.080 2.045 2.020 2.212 . 0 0 "[ . 1 . 2 ]" 1
400 1 33 LYS HA 1 33 LYS HG3 . . 3.400 2.937 2.844 3.496 0.096 14 0 "[ . 1 . 2 ]" 1
401 1 33 LYS HA 1 34 ARG H . . 3.500 3.561 3.547 3.605 0.105 17 0 "[ . 1 . 2 ]" 1
402 1 33 LYS HB2 1 34 ARG H . . 3.500 3.196 2.841 3.287 . 0 0 "[ . 1 . 2 ]" 1
403 1 33 LYS HB3 1 34 ARG H . . 3.500 3.500 3.267 3.530 0.030 5 0 "[ . 1 . 2 ]" 1
404 1 33 LYS QG 1 34 ARG H . . 5.230 4.537 4.340 4.629 . 0 0 "[ . 1 . 2 ]" 1
405 1 33 LYS HG2 1 34 ARG H . . 5.500 5.089 5.003 5.112 . 0 0 "[ . 1 . 2 ]" 1
406 1 33 LYS HG3 1 34 ARG H . . 5.500 5.102 4.743 5.440 . 0 0 "[ . 1 . 2 ]" 1
407 1 34 ARG H 1 34 ARG HB2 . . 3.800 2.684 2.093 2.941 . 0 0 "[ . 1 . 2 ]" 1
408 1 34 ARG H 1 34 ARG QB . . 3.550 2.612 2.072 2.847 . 0 0 "[ . 1 . 2 ]" 1
409 1 34 ARG H 1 34 ARG HB3 . . 3.800 3.636 3.329 3.867 0.067 22 0 "[ . 1 . 2 ]" 1
410 1 34 ARG H 1 34 ARG HG2 . . 3.800 3.184 2.761 3.688 . 0 0 "[ . 1 . 2 ]" 1
411 1 34 ARG H 1 34 ARG QG . . 3.500 2.325 1.906 3.281 . 0 0 "[ . 1 . 2 ]" 1
412 1 34 ARG H 1 34 ARG HG3 . . 3.800 2.442 1.937 3.678 . 0 0 "[ . 1 . 2 ]" 1
413 1 34 ARG HA 1 34 ARG HB2 . . 3.000 3.024 2.955 3.059 0.059 22 0 "[ . 1 . 2 ]" 1
414 1 34 ARG HA 1 34 ARG HB3 . . 3.000 2.462 2.337 2.822 . 0 0 "[ . 1 . 2 ]" 1
415 1 34 ARG HA 1 34 ARG HG2 . . 3.400 2.598 2.007 2.915 . 0 0 "[ . 1 . 2 ]" 1
416 1 34 ARG HA 1 34 ARG QG . . 3.130 2.506 1.991 2.756 . 0 0 "[ . 1 . 2 ]" 1
417 1 34 ARG HA 1 34 ARG HG3 . . 3.400 3.401 3.310 3.474 0.074 12 0 "[ . 1 . 2 ]" 1
418 1 34 ARG HA 1 35 LYS H . . 3.500 3.480 2.816 3.649 0.149 9 0 "[ . 1 . 2 ]" 1
419 1 34 ARG QB 1 34 ARG HE . . 3.850 2.566 2.037 3.393 . 0 0 "[ . 1 . 2 ]" 1
420 1 34 ARG QB 1 35 LYS H . . 3.980 2.443 1.805 3.120 . 0 0 "[ . 1 . 2 ]" 1
421 1 34 ARG HB2 1 34 ARG HE . . 4.100 3.466 2.595 4.035 . 0 0 "[ . 1 . 2 ]" 1
422 1 34 ARG HB3 1 34 ARG HE . . 4.100 2.888 2.059 4.114 0.014 22 0 "[ . 1 . 2 ]" 1
423 1 34 ARG HE 1 34 ARG HG2 . . 4.100 2.959 2.244 3.895 . 0 0 "[ . 1 . 2 ]" 1
424 1 34 ARG HE 1 34 ARG QG . . 3.900 2.485 2.065 3.273 . 0 0 "[ . 1 . 2 ]" 1
425 1 34 ARG HE 1 34 ARG HG3 . . 4.100 3.229 2.083 4.032 . 0 0 "[ . 1 . 2 ]" 1
426 1 34 ARG QG 1 35 LYS H . . 4.080 3.549 3.362 3.868 . 0 0 "[ . 1 . 2 ]" 1
427 1 35 LYS H 1 35 LYS HA . . 2.800 2.452 2.207 2.856 0.056 13 0 "[ . 1 . 2 ]" 1
428 1 35 LYS H 1 35 LYS HB2 . . 3.400 2.667 2.027 3.212 . 0 0 "[ . 1 . 2 ]" 1
429 1 35 LYS H 1 35 LYS QB . . 3.180 2.532 2.008 2.996 . 0 0 "[ . 1 . 2 ]" 1
430 1 35 LYS H 1 35 LYS HB3 . . 3.400 3.282 2.652 3.617 0.217 7 0 "[ . 1 . 2 ]" 1
431 1 35 LYS H 1 35 LYS QD . . 5.600 4.003 2.439 5.027 . 0 0 "[ . 1 . 2 ]" 1
432 1 35 LYS H 1 35 LYS QG . . 5.100 4.047 3.282 4.471 . 0 0 "[ . 1 . 2 ]" 1
433 1 35 LYS HA 1 35 LYS QD . . 4.500 2.951 1.946 3.963 . 0 0 "[ . 1 . 2 ]" 1
434 1 35 LYS QB 1 36 THR H . . 3.600 2.454 1.954 3.413 . 0 0 "[ . 1 . 2 ]" 1
435 1 35 LYS HB2 1 36 THR H . . 3.800 3.630 3.256 3.895 0.095 19 0 "[ . 1 . 2 ]" 1
436 1 35 LYS HB3 1 36 THR H . . 3.800 2.556 1.964 3.834 0.034 10 0 "[ . 1 . 2 ]" 1
437 1 35 LYS QG 1 36 THR H . . 7.000 2.579 1.835 4.396 . 0 0 "[ . 1 . 2 ]" 1
438 1 36 THR H 1 36 THR HA . . 2.800 2.700 2.243 2.899 0.099 22 0 "[ . 1 . 2 ]" 1
439 1 36 THR H 1 36 THR HB . . 3.200 2.835 2.055 3.558 0.358 23 0 "[ . 1 . 2 ]" 1
440 1 36 THR H 1 36 THR MG . . 4.400 3.392 2.615 3.710 . 0 0 "[ . 1 . 2 ]" 1
441 1 36 THR HA 1 36 THR MG . . 3.600 2.707 2.107 3.220 . 0 0 "[ . 1 . 2 ]" 1
442 1 36 THR HA 1 37 VAL H . . 2.800 2.628 2.343 2.892 0.092 23 0 "[ . 1 . 2 ]" 1
443 1 36 THR HA 1 37 VAL QG . . 6.500 4.123 3.604 4.522 . 0 0 "[ . 1 . 2 ]" 1
444 1 36 THR HB 1 37 VAL H . . 3.700 3.610 2.604 3.859 0.159 4 0 "[ . 1 . 2 ]" 1
445 1 36 THR MG 1 37 VAL H . . 3.600 2.009 1.805 2.837 . 0 0 "[ . 1 . 2 ]" 1
446 1 37 VAL H 1 37 VAL HB . . 3.000 2.706 2.202 2.997 . 0 0 "[ . 1 . 2 ]" 1
447 1 37 VAL HA 1 37 VAL HB . . 2.900 2.545 2.394 2.715 . 0 0 "[ . 1 . 2 ]" 1
448 1 37 VAL HA 1 38 THR H . . 3.300 2.773 2.502 3.605 0.305 19 0 "[ . 1 . 2 ]" 1
449 1 37 VAL HB 1 38 THR H . . 3.800 3.782 3.517 3.884 0.084 21 0 "[ . 1 . 2 ]" 1
450 1 37 VAL QG 1 38 THR H . . 5.400 1.866 1.688 2.636 . 0 0 "[ . 1 . 2 ]" 1
451 1 37 VAL QG 1 39 ALA H . . 6.400 4.629 4.364 4.749 . 0 0 "[ . 1 . 2 ]" 1
452 1 38 THR H 1 38 THR HB . . 3.400 2.926 2.033 3.645 0.245 5 0 "[ . 1 . 2 ]" 1
453 1 38 THR H 1 38 THR MG . . 4.100 3.294 2.712 3.604 . 0 0 "[ . 1 . 2 ]" 1
454 1 38 THR HA 1 38 THR MG . . 3.500 2.440 2.072 3.241 . 0 0 "[ . 1 . 2 ]" 1
455 1 38 THR HA 1 39 ALA H . . 2.700 2.609 2.281 2.885 0.185 23 0 "[ . 1 . 2 ]" 1
456 1 38 THR HB 1 39 ALA H . . 3.600 3.237 2.060 3.741 0.141 15 0 "[ . 1 . 2 ]" 1
457 1 38 THR MG 1 39 ALA H . . 3.900 2.285 1.895 3.289 . 0 0 "[ . 1 . 2 ]" 1
458 1 39 ALA H 1 39 ALA HA . . 2.800 2.763 2.213 2.851 0.051 18 0 "[ . 1 . 2 ]" 1
459 1 39 ALA H 1 39 ALA MB . . 3.400 2.722 1.936 2.862 . 0 0 "[ . 1 . 2 ]" 1
460 1 39 ALA HA 1 40 LEU H . . 2.900 2.506 2.391 2.743 . 0 0 "[ . 1 . 2 ]" 1
461 1 39 ALA MB 1 40 LEU H . . 3.400 2.522 2.193 2.768 . 0 0 "[ . 1 . 2 ]" 1
462 1 40 LEU H 1 40 LEU QB . . 3.900 2.646 2.071 3.189 . 0 0 "[ . 1 . 2 ]" 1
463 1 40 LEU H 1 40 LEU MD1 . . 4.400 3.485 3.191 3.593 . 0 0 "[ . 1 . 2 ]" 1
464 1 40 LEU H 1 40 LEU MD2 . . 5.400 4.233 3.926 4.503 . 0 0 "[ . 1 . 2 ]" 1
465 1 40 LEU H 1 40 LEU HG . . 3.400 3.052 2.548 3.402 0.002 8 0 "[ . 1 . 2 ]" 1
466 1 40 LEU H 1 41 LYS H . . 4.000 3.522 3.071 3.995 . 0 0 "[ . 1 . 2 ]" 1
467 1 40 LEU HA 1 40 LEU MD1 . . 4.500 3.795 3.742 3.825 . 0 0 "[ . 1 . 2 ]" 1
468 1 40 LEU HA 1 40 LEU MD2 . . 3.500 2.663 2.148 2.833 . 0 0 "[ . 1 . 2 ]" 1
469 1 40 LEU HA 1 40 LEU HG . . 3.200 2.506 2.397 2.647 . 0 0 "[ . 1 . 2 ]" 1
470 1 40 LEU HA 1 41 LYS H . . 2.700 2.428 2.198 2.604 . 0 0 "[ . 1 . 2 ]" 1
471 1 40 LEU QB 1 41 LYS H . . 5.600 3.923 3.637 4.004 . 0 0 "[ . 1 . 2 ]" 1
472 1 41 LYS H 1 41 LYS HB2 . . 3.300 3.029 2.021 3.436 0.136 4 0 "[ . 1 . 2 ]" 1
473 1 41 LYS H 1 41 LYS QB . . 3.080 2.086 2.004 2.112 . 0 0 "[ . 1 . 2 ]" 1
474 1 41 LYS H 1 41 LYS HB3 . . 3.300 2.472 2.130 3.324 0.024 18 0 "[ . 1 . 2 ]" 1
475 1 41 LYS H 1 41 LYS QD . . 5.800 4.314 3.994 4.719 . 0 0 "[ . 1 . 2 ]" 1
476 1 41 LYS H 1 41 LYS HG2 . . 3.800 3.043 2.821 3.812 0.012 2 0 "[ . 1 . 2 ]" 1
477 1 41 LYS H 1 41 LYS QG . . 3.600 2.890 2.753 3.280 . 0 0 "[ . 1 . 2 ]" 1
478 1 41 LYS H 1 41 LYS HG3 . . 3.800 3.795 3.305 3.840 0.040 24 0 "[ . 1 . 2 ]" 1
479 1 41 LYS HA 1 41 LYS HG2 . . 4.000 3.295 1.987 3.825 . 0 0 "[ . 1 . 2 ]" 1
480 1 41 LYS HA 1 41 LYS HG3 . . 4.000 3.455 2.939 3.522 . 0 0 "[ . 1 . 2 ]" 1
481 1 41 LYS HA 1 42 ALA H . . 2.900 2.620 2.582 2.654 . 0 0 "[ . 1 . 2 ]" 1
482 1 41 LYS HB2 1 42 ALA H . . 3.900 2.920 2.501 3.898 . 0 0 "[ . 1 . 2 ]" 1
483 1 41 LYS HB3 1 42 ALA H . . 3.900 3.464 2.375 3.900 0.000 23 0 "[ . 1 . 2 ]" 1
484 1 42 ALA H 1 42 ALA HA . . 2.800 2.623 2.213 2.815 0.015 6 0 "[ . 1 . 2 ]" 1
485 1 42 ALA H 1 42 ALA MB . . 3.400 2.558 1.942 2.860 . 0 0 "[ . 1 . 2 ]" 1
486 1 42 ALA HA 1 43 GLY H . . 2.700 2.408 2.189 2.676 . 0 0 "[ . 1 . 2 ]" 1
487 1 42 ALA MB 1 43 GLY H . . 4.200 2.813 2.076 3.538 . 0 0 "[ . 1 . 2 ]" 1
488 1 43 GLY H 1 44 GLU H . . 3.400 2.905 2.236 3.397 . 0 0 "[ . 1 . 2 ]" 1
489 1 44 GLU H 1 44 GLU QB . . 3.860 2.898 2.035 3.379 . 0 0 "[ . 1 . 2 ]" 1
490 1 44 GLU H 1 45 ASP H . . 4.300 3.469 1.903 4.300 0.000 8 0 "[ . 1 . 2 ]" 1
491 1 45 ASP HA 1 45 ASP HB2 . . 3.000 2.762 2.347 3.000 0.000 13 0 "[ . 1 . 2 ]" 1
492 1 45 ASP HA 1 45 ASP HB3 . . 3.000 2.782 2.330 3.013 0.013 15 0 "[ . 1 . 2 ]" 1
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