NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388326 |
1n0z   |
5667 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n0z
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 429
_Distance_constraint_stats_list.Viol_count 732
_Distance_constraint_stats_list.Viol_total 2085.074
_Distance_constraint_stats_list.Viol_max 1.108
_Distance_constraint_stats_list.Viol_rms 0.0596
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.1424
_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 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.042 0.042 7 0 "[ . 1 . 2]"
1 7 ASN 0.251 0.156 10 0 "[ . 1 . 2]"
1 8 PHE 3.436 0.442 11 0 "[ . 1 . 2]"
1 9 ARG 3.066 0.442 11 0 "[ . 1 . 2]"
1 10 VAL 3.009 0.248 2 0 "[ . 1 . 2]"
1 11 SER 5.705 0.604 15 2 "[ . 1 -+ 2]"
1 12 ASP 5.958 0.604 15 2 "[ . 1 -+ 2]"
1 13 GLY 3.339 0.308 17 0 "[ . 1 . 2]"
1 14 ASP 3.529 1.108 18 1 "[ . 1 . + 2]"
1 15 TRP 22.172 0.727 18 7 "[ **** 1 -*. + 2]"
1 16 ILE 3.908 0.452 4 0 "[ . 1 . 2]"
1 17 CYS 2.083 0.424 18 0 "[ . 1 . 2]"
1 18 PRO 4.573 0.198 6 0 "[ . 1 . 2]"
1 19 ASP 2.498 0.261 3 0 "[ . 1 . 2]"
1 20 LYS 2.112 0.457 3 0 "[ . 1 . 2]"
1 21 LYS 0.813 0.457 3 0 "[ . 1 . 2]"
1 22 CYS 5.288 0.405 5 0 "[ . 1 . 2]"
1 23 GLY 3.106 0.405 5 0 "[ . 1 . 2]"
1 24 ASN 5.215 0.804 14 1 "[ . 1 +. 2]"
1 25 VAL 0.159 0.159 2 0 "[ . 1 . 2]"
1 26 ASN 10.996 0.849 12 7 "[ * ** 1 +- * * 2]"
1 27 PHE 11.284 0.890 16 3 "[ - . 1 * .+ 2]"
1 28 ALA 7.930 1.108 18 2 "[ . 1 - . + 2]"
1 29 ARG 2.999 0.556 2 1 "[ + . 1 . 2]"
1 30 ARG 4.680 0.890 16 1 "[ . 1 .+ 2]"
1 31 THR 3.331 0.300 14 0 "[ . 1 . 2]"
1 32 SER 1.257 0.159 2 0 "[ . 1 . 2]"
1 33 CYS 10.282 0.703 2 5 "[-+ .* * * 2]"
1 34 ASP 1.262 0.631 4 1 "[ +. 1 . 2]"
1 35 ARG 9.212 0.804 14 3 "[ - *1 +. 2]"
1 36 CYS 5.138 0.295 14 0 "[ . 1 . 2]"
1 37 GLY 7.969 0.703 2 5 "[-+ .* * * 2]"
1 38 ARG 6.851 0.925 1 3 "[+ .* - 1 . 2]"
1 39 GLU 2.980 0.339 11 0 "[ . 1 . 2]"
1 40 LYS 8.016 0.628 3 3 "[ + .- 1 *. 2]"
1 41 THR 0.539 0.126 6 0 "[ . 1 . 2]"
1 42 THR 1.751 0.141 15 0 "[ . 1 . 2]"
1 43 GLY 0.348 0.087 4 0 "[ . 1 . 2]"
1 44 PRO 1.212 0.195 8 0 "[ . 1 . 2]"
1 45 ILE 0.864 0.195 8 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 4 SER HA 1 4 SER HB2 2.700 . 3.600 2.890 2.779 3.020 . 0 0 "[ . 1 . 2]" 1
2 1 4 SER HA 1 4 SER HB3 2.800 . 3.800 2.264 2.236 2.380 . 0 0 "[ . 1 . 2]" 1
3 1 4 SER HA 1 5 THR H 6.000 . 6.000 2.668 2.145 3.569 . 0 0 "[ . 1 . 2]" 1
4 1 5 THR HA 1 6 LYS H 6.000 . 6.000 2.768 2.123 3.579 . 0 0 "[ . 1 . 2]" 1
5 1 6 LYS HA 1 7 ASN H 6.000 . 6.000 2.662 2.132 3.557 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS QB 1 6 LYS HE3 3.100 . 4.300 3.760 2.980 4.342 0.042 7 0 "[ . 1 . 2]" 1
7 1 7 ASN HA 1 8 PHE H 2.500 . 3.300 2.500 2.129 3.456 0.156 10 0 "[ . 1 . 2]" 1
8 1 7 ASN HB2 1 8 PHE H 6.000 . 6.000 4.069 3.244 4.639 . 0 0 "[ . 1 . 2]" 1
9 1 7 ASN HB3 1 7 ASN HD21 3.000 . 4.100 2.663 2.111 3.531 . 0 0 "[ . 1 . 2]" 1
10 1 7 ASN HB3 1 8 PHE H 6.000 . 6.000 3.767 1.632 4.521 . 0 0 "[ . 1 . 2]" 1
11 1 8 PHE H 1 8 PHE HB2 2.700 . 3.600 2.633 2.032 3.708 0.108 15 0 "[ . 1 . 2]" 1
12 1 8 PHE H 1 8 PHE HB3 2.700 . 3.600 3.206 2.200 3.770 0.170 20 0 "[ . 1 . 2]" 1
13 1 8 PHE H 1 9 ARG H 2.900 . 4.000 3.806 2.702 4.442 0.442 11 0 "[ . 1 . 2]" 1
14 1 8 PHE HA 1 8 PHE HB2 2.500 . 3.300 2.714 2.326 3.019 . 0 0 "[ . 1 . 2]" 1
15 1 8 PHE HA 1 9 ARG H 2.300 . 3.000 2.459 2.097 3.144 0.144 9 0 "[ . 1 . 2]" 1
16 1 8 PHE HB2 1 9 ARG H 6.000 . 6.000 4.102 1.604 4.667 . 0 0 "[ . 1 . 2]" 1
17 1 8 PHE HB3 1 9 ARG H 6.000 . 6.000 3.929 2.330 4.501 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG HA 1 9 ARG HB3 2.800 . 3.700 2.634 2.245 3.020 . 0 0 "[ . 1 . 2]" 1
19 1 9 ARG HA 1 10 VAL H 2.100 . 2.600 2.326 2.139 2.761 0.161 10 0 "[ . 1 . 2]" 1
20 1 9 ARG HB2 1 9 ARG QD 3.000 . 4.100 2.643 1.949 3.413 . 0 0 "[ . 1 . 2]" 1
21 1 9 ARG HB2 1 10 VAL H 6.000 . 6.000 4.234 3.172 4.654 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG HB3 1 9 ARG QD 3.000 . 4.100 2.609 1.901 3.501 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG HB3 1 10 VAL H 6.000 . 6.000 4.195 3.087 4.580 . 0 0 "[ . 1 . 2]" 1
24 1 9 ARG QD 1 9 ARG HG3 2.600 . 3.500 2.293 2.140 2.532 . 0 0 "[ . 1 . 2]" 1
25 1 9 ARG HE 1 9 ARG HG2 2.900 . 3.900 2.982 2.143 4.000 0.100 19 0 "[ . 1 . 2]" 1
26 1 9 ARG HE 1 9 ARG HG3 3.500 . 5.000 3.180 2.169 3.748 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG HG2 1 10 VAL H 6.000 . 6.000 4.857 3.425 5.726 . 0 0 "[ . 1 . 2]" 1
28 1 9 ARG HG3 1 10 VAL H 4.000 . 6.000 4.853 2.940 5.935 . 0 0 "[ . 1 . 2]" 1
29 1 10 VAL H 1 10 VAL HA 2.700 . 3.600 2.854 2.262 2.949 . 0 0 "[ . 1 . 2]" 1
30 1 10 VAL H 1 10 VAL HB 2.500 . 3.300 3.069 2.541 3.504 0.204 2 0 "[ . 1 . 2]" 1
31 1 10 VAL H 1 11 SER H 3.100 . 4.300 4.097 1.988 4.548 0.248 2 0 "[ . 1 . 2]" 1
32 1 10 VAL HA 1 10 VAL HB 2.700 . 3.600 2.806 2.365 3.028 . 0 0 "[ . 1 . 2]" 1
33 1 10 VAL HA 1 11 SER H 2.400 . 3.100 2.321 2.131 3.103 0.003 11 0 "[ . 1 . 2]" 1
34 1 10 VAL HB 1 11 SER H 3.200 . 4.500 3.923 2.325 4.476 . 0 0 "[ . 1 . 2]" 1
35 1 11 SER H 1 11 SER HA 3.000 . 4.100 2.875 2.805 2.938 . 0 0 "[ . 1 . 2]" 1
36 1 11 SER H 1 11 SER HB2 3.100 . 4.300 3.083 2.368 3.530 . 0 0 "[ . 1 . 2]" 1
37 1 11 SER H 1 12 ASP HA 6.000 . 6.000 5.346 4.631 5.767 . 0 0 "[ . 1 . 2]" 1
38 1 11 SER HA 1 12 ASP H 2.300 . 3.000 2.728 2.251 3.449 0.449 18 0 "[ . 1 . 2]" 1
39 1 11 SER HB2 1 12 ASP H 2.900 . 3.900 2.891 1.316 4.504 0.604 15 2 "[ . 1 -+ 2]" 1
40 1 11 SER HB2 1 12 ASP HB2 6.000 . 6.000 5.094 3.210 6.263 0.263 6 0 "[ . 1 . 2]" 1
41 1 12 ASP H 1 12 ASP HA 2.500 . 3.300 2.873 2.804 2.940 . 0 0 "[ . 1 . 2]" 1
42 1 12 ASP H 1 12 ASP HB2 2.600 . 3.400 2.690 2.124 3.621 0.221 7 0 "[ . 1 . 2]" 1
43 1 12 ASP H 1 12 ASP HB3 2.700 . 3.600 2.755 2.077 3.480 . 0 0 "[ . 1 . 2]" 1
44 1 12 ASP HA 1 12 ASP HB2 2.600 . 3.500 2.568 2.223 2.819 . 0 0 "[ . 1 . 2]" 1
45 1 12 ASP HA 1 13 GLY H 6.000 . 6.000 3.072 2.245 3.577 . 0 0 "[ . 1 . 2]" 1
46 1 12 ASP HB2 1 13 GLY H 2.800 . 3.800 3.429 2.568 4.079 0.279 16 0 "[ . 1 . 2]" 1
47 1 12 ASP HB3 1 13 GLY H 2.800 . 3.800 2.908 1.873 4.108 0.308 17 0 "[ . 1 . 2]" 1
48 1 13 GLY H 1 13 GLY HA2 2.400 . 3.100 2.675 2.344 2.948 . 0 0 "[ . 1 . 2]" 1
49 1 13 GLY H 1 14 ASP H 6.000 . 6.000 2.709 2.155 4.264 . 0 0 "[ . 1 . 2]" 1
50 1 13 GLY HA2 1 14 ASP H 2.500 . 3.300 3.184 2.189 3.488 0.188 1 0 "[ . 1 . 2]" 1
51 1 13 GLY HA3 1 14 ASP H 2.500 . 3.300 3.117 2.130 3.470 0.170 4 0 "[ . 1 . 2]" 1
52 1 14 ASP H 1 15 TRP H 3.900 . 5.800 4.424 2.507 4.672 . 0 0 "[ . 1 . 2]" 1
53 1 14 ASP HA 1 14 ASP HB3 3.000 . 4.200 2.563 2.266 3.019 . 0 0 "[ . 1 . 2]" 1
54 1 14 ASP HA 1 15 TRP H 2.600 . 3.500 2.497 2.181 3.512 0.012 18 0 "[ . 1 . 2]" 1
55 1 14 ASP HA 1 28 ALA HA 2.400 . 3.100 2.714 1.897 4.208 1.108 18 1 "[ . 1 . + 2]" 1
56 1 14 ASP HB2 1 15 TRP H 6.000 . 6.000 3.207 1.865 4.378 . 0 0 "[ . 1 . 2]" 1
57 1 14 ASP HB3 1 15 TRP H 3.700 . 5.400 3.016 1.847 4.138 0.153 2 0 "[ . 1 . 2]" 1
58 1 14 ASP HB3 1 15 TRP HD1 4.100 . 6.000 4.797 1.806 6.063 0.194 18 0 "[ . 1 . 2]" 1
59 1 15 TRP H 1 15 TRP HA 2.300 . 3.000 2.899 2.854 2.939 . 0 0 "[ . 1 . 2]" 1
60 1 15 TRP H 1 15 TRP HD1 2.700 . 3.600 2.580 1.892 3.246 . 0 0 "[ . 1 . 2]" 1
61 1 15 TRP H 1 26 ASN HB3 3.500 . 5.000 4.332 3.299 5.504 0.504 13 1 "[ . 1 + . 2]" 1
62 1 15 TRP HA 1 15 TRP HB2 2.100 . 2.700 2.452 2.342 2.683 . 0 0 "[ . 1 . 2]" 1
63 1 15 TRP HA 1 15 TRP HB3 2.200 . 2.800 2.464 2.276 2.567 . 0 0 "[ . 1 . 2]" 1
64 1 15 TRP HA 1 15 TRP HE3 4.100 . 6.000 4.556 4.373 4.852 . 0 0 "[ . 1 . 2]" 1
65 1 15 TRP HA 1 16 ILE H 2.100 . 2.700 2.443 2.193 3.152 0.452 4 0 "[ . 1 . 2]" 1
66 1 15 TRP HA 1 16 ILE HB 4.000 . 6.000 5.659 4.188 5.856 . 0 0 "[ . 1 . 2]" 1
67 1 15 TRP HB2 1 15 TRP HE3 2.800 . 3.800 2.435 2.376 2.531 . 0 0 "[ . 1 . 2]" 1
68 1 15 TRP HB2 1 15 TRP HZ2 4.600 . 6.000 4.906 4.582 5.378 . 0 0 "[ . 1 . 2]" 1
69 1 15 TRP HB2 1 15 TRP HZ3 3.500 . 5.000 4.196 3.715 4.558 . 0 0 "[ . 1 . 2]" 1
70 1 15 TRP HB2 1 16 ILE H 2.600 . 3.500 2.582 1.803 3.756 0.256 4 0 "[ . 1 . 2]" 1
71 1 15 TRP HB3 1 15 TRP HD1 3.200 . 4.500 2.852 2.729 3.071 . 0 0 "[ . 1 . 2]" 1
72 1 15 TRP HB3 1 15 TRP HE3 2.900 . 4.000 3.946 3.700 4.080 0.080 14 0 "[ . 1 . 2]" 1
73 1 15 TRP HB3 1 16 ILE H 6.000 . 6.000 3.863 3.374 4.345 . 0 0 "[ . 1 . 2]" 1
74 1 15 TRP HD1 1 26 ASN HB2 6.000 . 6.000 4.223 3.384 5.365 . 0 0 "[ . 1 . 2]" 1
75 1 15 TRP HD1 1 26 ASN HB3 6.000 . 6.000 4.836 3.729 5.932 . 0 0 "[ . 1 . 2]" 1
76 1 15 TRP HD1 1 28 ALA HA 2.400 . 3.100 2.605 1.655 3.101 0.045 11 0 "[ . 1 . 2]" 1
77 1 15 TRP HD1 1 40 LYS QE 3.500 . 5.000 4.307 2.630 5.257 0.257 16 0 "[ . 1 . 2]" 1
78 1 15 TRP HE1 1 26 ASN HB2 2.900 . 3.900 3.591 2.416 4.627 0.727 18 3 "[ -* 1 . + 2]" 1
79 1 15 TRP HE1 1 26 ASN HB3 3.200 . 4.500 3.514 2.756 4.606 0.106 14 0 "[ . 1 . 2]" 1
80 1 15 TRP HE1 1 28 ALA H 2.900 . 4.000 4.109 3.679 4.285 0.285 13 0 "[ . 1 . 2]" 1
81 1 15 TRP HE1 1 28 ALA HA 3.000 . 4.100 3.653 2.603 4.310 0.210 20 0 "[ . 1 . 2]" 1
82 1 15 TRP HE1 1 30 ARG H 3.000 . 4.200 2.861 2.293 3.381 . 0 0 "[ . 1 . 2]" 1
83 1 15 TRP HE1 1 30 ARG HB2 2.700 . 3.600 2.533 1.777 3.460 0.023 6 0 "[ . 1 . 2]" 1
84 1 15 TRP HE1 1 30 ARG HB3 2.800 . 3.700 3.451 2.761 3.870 0.170 13 0 "[ . 1 . 2]" 1
85 1 15 TRP HE1 1 30 ARG HG2 3.900 . 5.800 5.047 4.147 5.912 0.112 2 0 "[ . 1 . 2]" 1
86 1 15 TRP HE1 1 30 ARG HG3 6.000 . 6.000 4.694 3.821 5.538 . 0 0 "[ . 1 . 2]" 1
87 1 15 TRP HE1 1 40 LYS HB2 3.400 . 4.800 4.473 2.970 5.428 0.628 3 3 "[ + .- 1 *. 2]" 1
88 1 15 TRP HE3 1 16 ILE H 6.000 . 6.000 3.378 2.786 4.233 . 0 0 "[ . 1 . 2]" 1
89 1 15 TRP HE3 1 16 ILE HA 3.100 . 4.300 3.818 3.542 4.234 . 0 0 "[ . 1 . 2]" 1
90 1 15 TRP HE3 1 16 ILE HB 3.800 . 5.600 5.460 4.893 5.844 0.244 5 0 "[ . 1 . 2]" 1
91 1 15 TRP HE3 1 17 CYS QB 6.000 . 6.000 5.115 4.149 5.403 . 0 0 "[ . 1 . 2]" 1
92 1 15 TRP HE3 1 18 PRO HA 3.400 . 4.900 4.359 3.617 4.898 . 0 0 "[ . 1 . 2]" 1
93 1 15 TRP HE3 1 18 PRO HD3 2.900 . 3.900 3.770 3.458 4.040 0.140 14 0 "[ . 1 . 2]" 1
94 1 15 TRP HE3 1 40 LYS HA 3.900 . 5.800 4.612 3.931 5.186 . 0 0 "[ . 1 . 2]" 1
95 1 15 TRP HE3 1 40 LYS QG 4.800 . 6.000 3.678 2.765 4.673 . 0 0 "[ . 1 . 2]" 1
96 1 15 TRP HH2 1 17 CYS HA 3.000 . 4.100 3.888 3.394 4.154 0.054 5 0 "[ . 1 . 2]" 1
97 1 15 TRP HH2 1 18 PRO HA 6.000 . 6.000 5.896 5.457 6.198 0.198 6 0 "[ . 1 . 2]" 1
98 1 15 TRP HH2 1 32 SER HA 2.600 . 3.500 3.297 2.575 3.659 0.159 2 0 "[ . 1 . 2]" 1
99 1 15 TRP HH2 1 33 CYS HA 2.900 . 3.900 3.371 2.366 4.041 0.141 15 0 "[ . 1 . 2]" 1
100 1 15 TRP HH2 1 33 CYS QB 3.000 . 4.100 3.771 3.292 4.228 0.128 19 0 "[ . 1 . 2]" 1
101 1 15 TRP HH2 1 39 GLU HA 3.800 . 5.600 4.519 3.810 5.272 . 0 0 "[ . 1 . 2]" 1
102 1 15 TRP HH2 1 40 LYS H 4.700 . 6.000 4.107 3.509 5.026 . 0 0 "[ . 1 . 2]" 1
103 1 15 TRP HH2 1 40 LYS HA 6.000 . 6.000 3.390 2.617 4.119 . 0 0 "[ . 1 . 2]" 1
104 1 15 TRP HH2 1 40 LYS HB2 3.400 . 4.900 3.685 2.598 4.493 . 0 0 "[ . 1 . 2]" 1
105 1 15 TRP HH2 1 40 LYS HB3 6.000 . 6.000 5.177 4.328 5.778 . 0 0 "[ . 1 . 2]" 1
106 1 15 TRP HZ2 1 26 ASN HB2 3.300 . 4.700 4.016 3.133 4.561 . 0 0 "[ . 1 . 2]" 1
107 1 15 TRP HZ2 1 26 ASN HB3 3.200 . 4.500 3.666 2.613 4.112 . 0 0 "[ . 1 . 2]" 1
108 1 15 TRP HZ2 1 30 ARG HB2 3.200 . 4.500 3.426 2.651 4.391 . 0 0 "[ . 1 . 2]" 1
109 1 15 TRP HZ2 1 30 ARG HB3 2.700 . 3.600 2.806 2.181 3.229 . 0 0 "[ . 1 . 2]" 1
110 1 15 TRP HZ2 1 30 ARG HG2 6.000 . 6.000 5.567 4.885 6.024 0.024 15 0 "[ . 1 . 2]" 1
111 1 15 TRP HZ2 1 31 THR HA 2.800 . 3.800 3.900 3.539 4.028 0.228 7 0 "[ . 1 . 2]" 1
112 1 15 TRP HZ2 1 32 SER H 2.900 . 4.000 3.346 2.794 3.742 . 0 0 "[ . 1 . 2]" 1
113 1 15 TRP HZ2 1 32 SER HA 3.100 . 4.300 3.826 3.232 4.367 0.067 14 0 "[ . 1 . 2]" 1
114 1 15 TRP HZ2 1 33 CYS H 6.000 . 6.000 4.457 4.074 5.066 . 0 0 "[ . 1 . 2]" 1
115 1 15 TRP HZ2 1 33 CYS HA 3.100 . 4.300 3.883 3.387 4.518 0.218 2 0 "[ . 1 . 2]" 1
116 1 15 TRP HZ2 1 39 GLU HA 6.000 . 6.000 5.547 4.762 6.051 0.051 7 0 "[ . 1 . 2]" 1
117 1 15 TRP HZ2 1 40 LYS HA 3.800 . 5.600 4.807 3.627 5.839 0.239 14 0 "[ . 1 . 2]" 1
118 1 15 TRP HZ2 1 40 LYS HB2 2.900 . 4.000 3.691 2.936 4.444 0.444 17 0 "[ . 1 . 2]" 1
119 1 15 TRP HZ2 1 40 LYS HB3 6.000 . 6.000 5.316 4.280 6.083 0.083 17 0 "[ . 1 . 2]" 1
120 1 15 TRP HZ3 1 17 CYS HA 2.300 . 2.900 2.330 1.788 2.714 . 0 0 "[ . 1 . 2]" 1
121 1 15 TRP HZ3 1 17 CYS QB 3.600 . 5.200 4.390 3.817 4.790 . 0 0 "[ . 1 . 2]" 1
122 1 15 TRP HZ3 1 18 PRO HB2 6.000 . 6.000 4.879 4.544 5.208 . 0 0 "[ . 1 . 2]" 1
123 1 15 TRP HZ3 1 18 PRO HD2 3.500 . 5.100 3.386 3.223 3.608 . 0 0 "[ . 1 . 2]" 1
124 1 15 TRP HZ3 1 18 PRO HD3 2.500 . 3.300 1.663 1.556 1.853 0.144 2 0 "[ . 1 . 2]" 1
125 1 15 TRP HZ3 1 18 PRO HG2 3.000 . 4.200 3.543 3.022 4.087 . 0 0 "[ . 1 . 2]" 1
126 1 15 TRP HZ3 1 26 ASN QD 3.300 . 4.600 3.846 3.055 4.466 . 0 0 "[ . 1 . 2]" 1
127 1 15 TRP HZ3 1 32 SER HA 6.000 . 6.000 5.546 4.735 6.040 0.040 8 0 "[ . 1 . 2]" 1
128 1 15 TRP HZ3 1 33 CYS H 6.000 . 6.000 5.221 4.159 5.736 . 0 0 "[ . 1 . 2]" 1
129 1 15 TRP HZ3 1 40 LYS HA 2.800 . 3.800 3.457 2.789 3.876 0.076 6 0 "[ . 1 . 2]" 1
130 1 15 TRP HZ3 1 40 LYS HB2 6.000 . 6.000 4.473 3.309 5.370 . 0 0 "[ . 1 . 2]" 1
131 1 16 ILE H 1 16 ILE HA 2.400 . 3.100 2.894 2.277 2.942 . 0 0 "[ . 1 . 2]" 1
132 1 16 ILE H 1 16 ILE HB 2.700 . 3.600 3.660 3.442 3.770 0.170 15 0 "[ . 1 . 2]" 1
133 1 16 ILE H 1 16 ILE HG12 2.700 . 3.600 2.826 2.303 3.119 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE HA 1 16 ILE HG12 2.700 . 3.600 3.298 2.655 3.900 0.300 14 0 "[ . 1 . 2]" 1
135 1 16 ILE HB 1 17 CYS H 3.100 . 4.300 2.603 1.864 4.222 0.036 6 0 "[ . 1 . 2]" 1
136 1 17 CYS H 1 17 CYS HA 2.600 . 3.400 2.775 2.661 2.933 . 0 0 "[ . 1 . 2]" 1
137 1 17 CYS H 1 17 CYS QB 2.400 . 3.100 2.430 2.043 2.930 . 0 0 "[ . 1 . 2]" 1
138 1 17 CYS H 1 24 ASN H 3.300 . 4.600 3.540 2.689 5.024 0.424 18 0 "[ . 1 . 2]" 1
139 1 17 CYS HA 1 17 CYS QB 3.100 . 4.300 2.438 2.277 2.520 . 0 0 "[ . 1 . 2]" 1
140 1 17 CYS HA 1 18 PRO HB2 6.000 . 6.000 5.250 5.121 5.474 . 0 0 "[ . 1 . 2]" 1
141 1 17 CYS HA 1 18 PRO HD3 3.200 . 4.500 1.903 1.813 2.175 0.087 17 0 "[ . 1 . 2]" 1
142 1 17 CYS HA 1 18 PRO HG2 3.500 . 5.000 4.519 4.427 4.791 . 0 0 "[ . 1 . 2]" 1
143 1 17 CYS HA 1 26 ASN QD 4.000 . 6.000 3.062 2.390 3.880 . 0 0 "[ . 1 . 2]" 1
144 1 17 CYS QB 1 18 PRO HA 6.000 . 6.000 4.800 4.541 5.051 . 0 0 "[ . 1 . 2]" 1
145 1 17 CYS QB 1 18 PRO HD2 3.300 . 4.600 3.198 2.172 3.891 . 0 0 "[ . 1 . 2]" 1
146 1 17 CYS QB 1 18 PRO HD3 6.000 . 6.000 3.442 2.745 3.814 . 0 0 "[ . 1 . 2]" 1
147 1 17 CYS QB 1 19 ASP H 6.000 . 6.000 2.838 2.442 3.360 . 0 0 "[ . 1 . 2]" 1
148 1 17 CYS QB 1 19 ASP HB2 6.000 . 6.000 4.940 4.283 5.996 . 0 0 "[ . 1 . 2]" 1
149 1 17 CYS QB 1 22 CYS HB2 3.600 . 5.200 3.008 2.030 4.284 . 0 0 "[ . 1 . 2]" 1
150 1 17 CYS QB 1 23 GLY H 3.300 . 4.700 2.122 1.890 2.905 0.110 2 0 "[ . 1 . 2]" 1
151 1 17 CYS QB 1 23 GLY HA2 2.900 . 3.800 2.959 2.201 3.573 . 0 0 "[ . 1 . 2]" 1
152 1 17 CYS QB 1 24 ASN H 2.600 . 3.300 2.263 1.672 2.904 0.128 7 0 "[ . 1 . 2]" 1
153 1 17 CYS QB 1 26 ASN QD 3.900 . 5.800 3.614 3.208 4.231 . 0 0 "[ . 1 . 2]" 1
154 1 18 PRO HA 1 18 PRO HB2 2.400 . 3.100 2.946 2.907 2.973 . 0 0 "[ . 1 . 2]" 1
155 1 18 PRO HA 1 18 PRO HB3 2.100 . 2.700 2.277 2.249 2.297 . 0 0 "[ . 1 . 2]" 1
156 1 18 PRO HA 1 18 PRO HD3 2.800 . 3.800 3.806 3.656 3.903 0.103 10 0 "[ . 1 . 2]" 1
157 1 18 PRO HA 1 18 PRO HG2 2.900 . 3.900 3.977 3.918 4.020 0.120 11 0 "[ . 1 . 2]" 1
158 1 18 PRO HA 1 19 ASP H 2.700 . 3.600 3.450 3.296 3.527 . 0 0 "[ . 1 . 2]" 1
159 1 18 PRO HB2 1 18 PRO HG2 2.200 . 2.800 2.316 2.297 2.342 . 0 0 "[ . 1 . 2]" 1
160 1 18 PRO HB2 1 19 ASP H 2.900 . 4.000 3.122 2.732 3.651 . 0 0 "[ . 1 . 2]" 1
161 1 18 PRO HB3 1 18 PRO HD3 3.100 . 4.300 4.051 4.022 4.074 . 0 0 "[ . 1 . 2]" 1
162 1 18 PRO HB3 1 18 PRO HG2 2.500 . 3.300 2.674 2.649 2.695 . 0 0 "[ . 1 . 2]" 1
163 1 18 PRO HD2 1 19 ASP H 6.000 . 6.000 2.595 2.339 2.901 . 0 0 "[ . 1 . 2]" 1
164 1 18 PRO HD3 1 18 PRO HG2 2.600 . 3.400 2.674 2.647 2.700 . 0 0 "[ . 1 . 2]" 1
165 1 18 PRO HD3 1 19 ASP H 6.000 . 6.000 3.779 3.530 3.979 . 0 0 "[ . 1 . 2]" 1
166 1 18 PRO HG2 1 19 ASP H 6.000 . 6.000 4.237 3.867 4.628 . 0 0 "[ . 1 . 2]" 1
167 1 18 PRO HG3 1 19 ASP H 4.100 . 6.000 4.594 4.403 4.769 . 0 0 "[ . 1 . 2]" 1
168 1 19 ASP H 1 19 ASP HB3 2.200 . 2.800 2.847 2.449 3.061 0.261 3 0 "[ . 1 . 2]" 1
169 1 19 ASP H 1 22 CYS HB2 6.000 . 6.000 4.226 2.218 6.191 0.191 5 0 "[ . 1 . 2]" 1
170 1 19 ASP H 1 23 GLY H 3.700 . 5.400 4.335 3.373 5.536 0.136 3 0 "[ . 1 . 2]" 1
171 1 19 ASP HA 1 19 ASP HB2 2.600 . 3.400 2.604 2.394 2.710 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASP HA 1 19 ASP HB3 2.800 . 3.800 2.995 2.959 3.025 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASP HA 1 20 LYS H 2.100 . 2.600 2.458 2.161 2.698 0.098 6 0 "[ . 1 . 2]" 1
174 1 19 ASP HB2 1 20 LYS H 6.000 . 6.000 3.892 3.622 4.222 . 0 0 "[ . 1 . 2]" 1
175 1 19 ASP HB2 1 23 GLY H 4.000 . 6.000 3.840 3.458 4.189 . 0 0 "[ . 1 . 2]" 1
176 1 20 LYS H 1 20 LYS HA 2.500 . 3.300 2.879 2.217 2.952 . 0 0 "[ . 1 . 2]" 1
177 1 20 LYS H 1 20 LYS QB 2.300 . 2.900 2.618 2.113 3.319 0.419 3 0 "[ . 1 . 2]" 1
178 1 20 LYS H 1 20 LYS QD 6.000 . 6.000 3.383 2.337 4.553 . 0 0 "[ . 1 . 2]" 1
179 1 20 LYS H 1 21 LYS H 2.700 . 3.600 2.402 1.777 4.057 0.457 3 0 "[ . 1 . 2]" 1
180 1 20 LYS HA 1 20 LYS QB 2.100 . 2.700 2.321 2.156 2.542 . 0 0 "[ . 1 . 2]" 1
181 1 20 LYS HA 1 20 LYS QG 2.800 . 3.800 2.753 2.077 3.369 . 0 0 "[ . 1 . 2]" 1
182 1 20 LYS HA 1 21 LYS H 6.000 . 6.000 3.260 2.151 3.517 . 0 0 "[ . 1 . 2]" 1
183 1 20 LYS HA 1 22 CYS H 2.800 . 3.800 3.623 2.806 3.918 0.118 8 0 "[ . 1 . 2]" 1
184 1 20 LYS QB 1 21 LYS H 6.000 . 6.000 3.389 2.651 4.027 . 0 0 "[ . 1 . 2]" 1
185 1 20 LYS QG 1 21 LYS H 6.000 . 6.000 3.781 2.204 4.826 . 0 0 "[ . 1 . 2]" 1
186 1 21 LYS H 1 21 LYS QD 6.000 . 6.000 3.824 2.989 4.471 . 0 0 "[ . 1 . 2]" 1
187 1 21 LYS H 1 21 LYS QG 2.500 . 3.300 2.355 1.848 3.360 0.060 15 0 "[ . 1 . 2]" 1
188 1 21 LYS H 1 22 CYS H 2.300 . 3.000 2.441 2.139 3.156 0.156 3 0 "[ . 1 . 2]" 1
189 1 21 LYS H 1 22 CYS HB3 6.000 . 6.000 5.224 4.137 5.880 . 0 0 "[ . 1 . 2]" 1
190 1 21 LYS HA 1 22 CYS H 2.700 . 3.600 3.361 2.778 3.540 . 0 0 "[ . 1 . 2]" 1
191 1 21 LYS QB 1 21 LYS HG3 2.000 . 2.500 2.105 2.076 2.129 . 0 0 "[ . 1 . 2]" 1
192 1 21 LYS QB 1 22 CYS H 2.900 . 3.900 3.249 2.501 4.008 0.108 3 0 "[ . 1 . 2]" 1
193 1 21 LYS QG 1 22 CYS H 6.000 . 6.000 3.403 2.004 4.538 . 0 0 "[ . 1 . 2]" 1
194 1 22 CYS H 1 22 CYS HA 2.400 . 3.100 2.909 2.865 2.942 . 0 0 "[ . 1 . 2]" 1
195 1 22 CYS H 1 23 GLY H 2.200 . 2.800 2.842 2.573 3.014 0.214 11 0 "[ . 1 . 2]" 1
196 1 22 CYS H 1 24 ASN H 4.100 . 6.000 5.102 4.376 5.661 . 0 0 "[ . 1 . 2]" 1
197 1 22 CYS HA 1 22 CYS HB2 2.100 . 2.600 2.262 2.130 2.377 . 0 0 "[ . 1 . 2]" 1
198 1 22 CYS HA 1 22 CYS HB3 2.600 . 3.400 2.838 2.242 3.029 . 0 0 "[ . 1 . 2]" 1
199 1 22 CYS HA 1 23 GLY H 3.500 . 5.000 3.509 3.418 3.558 . 0 0 "[ . 1 . 2]" 1
200 1 22 CYS HB2 1 24 ASN H 6.000 . 6.000 4.169 2.258 5.267 . 0 0 "[ . 1 . 2]" 1
201 1 22 CYS HB3 1 23 GLY H 2.200 . 2.800 1.974 1.553 3.205 0.405 5 0 "[ . 1 . 2]" 1
202 1 22 CYS HB3 1 24 ASN H 3.500 . 5.000 2.980 1.821 5.117 0.179 6 0 "[ . 1 . 2]" 1
203 1 22 CYS HB3 1 36 CYS H 4.200 . 6.000 5.643 4.669 6.186 0.186 19 0 "[ . 1 . 2]" 1
204 1 23 GLY H 1 23 GLY QA 2.400 . 3.100 2.211 2.178 2.353 . 0 0 "[ . 1 . 2]" 1
205 1 23 GLY H 1 24 ASN H 2.700 . 3.600 2.592 2.221 2.976 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLY H 1 24 ASN HB3 4.300 . 6.000 3.741 3.094 3.943 . 0 0 "[ . 1 . 2]" 1
207 1 23 GLY HA2 1 24 ASN H 2.500 . 3.300 2.846 2.516 3.112 . 0 0 "[ . 1 . 2]" 1
208 1 24 ASN H 1 24 ASN HA 2.500 . 3.300 2.875 2.788 2.952 . 0 0 "[ . 1 . 2]" 1
209 1 24 ASN H 1 24 ASN HB2 2.200 . 2.800 2.822 2.547 3.233 0.433 4 0 "[ . 1 . 2]" 1
210 1 24 ASN H 1 24 ASN HB3 2.400 . 3.100 2.359 1.996 2.545 . 0 0 "[ . 1 . 2]" 1
211 1 24 ASN H 1 24 ASN QD . . 5.600 4.163 3.761 4.657 . 0 0 "[ . 1 . 2]" 1
212 1 24 ASN HA 1 24 ASN HB2 2.400 . 3.100 2.397 2.232 2.502 . 0 0 "[ . 1 . 2]" 1
213 1 24 ASN HA 1 24 ASN HB3 2.900 . 4.000 3.010 2.824 3.034 . 0 0 "[ . 1 . 2]" 1
214 1 24 ASN HA 1 24 ASN QD 3.000 . 4.100 3.873 3.559 3.999 . 0 0 "[ . 1 . 2]" 1
215 1 24 ASN HA 1 25 VAL H 6.000 . 6.000 2.291 2.139 2.679 . 0 0 "[ . 1 . 2]" 1
216 1 24 ASN HA 1 25 VAL HA 6.000 . 6.000 4.377 4.323 4.510 . 0 0 "[ . 1 . 2]" 1
217 1 24 ASN HB2 1 24 ASN QD 3.100 . 3.600 3.149 2.140 3.285 . 0 0 "[ . 1 . 2]" 1
218 1 24 ASN HB2 1 25 VAL H 3.800 . 5.600 3.894 3.489 4.219 . 0 0 "[ . 1 . 2]" 1
219 1 24 ASN HB2 1 26 ASN QD 3.500 . 5.000 4.580 3.341 5.049 0.049 6 0 "[ . 1 . 2]" 1
220 1 24 ASN HB2 1 35 ARG QB 2.700 . 3.600 2.488 1.815 3.175 . 0 0 "[ . 1 . 2]" 1
221 1 24 ASN HB2 1 35 ARG HG2 3.500 . 5.000 4.293 2.964 5.804 0.804 14 1 "[ . 1 +. 2]" 1
222 1 24 ASN HB2 1 35 ARG HG3 4.400 . 6.000 3.750 2.511 4.773 . 0 0 "[ . 1 . 2]" 1
223 1 24 ASN HB3 1 24 ASN QD 2.900 . 3.300 2.187 2.051 3.202 . 0 0 "[ . 1 . 2]" 1
224 1 24 ASN HB3 1 25 VAL H 6.000 . 6.000 3.985 3.161 4.395 . 0 0 "[ . 1 . 2]" 1
225 1 24 ASN HB3 1 26 ASN QD 3.200 . 4.500 3.170 2.040 4.175 . 0 0 "[ . 1 . 2]" 1
226 1 24 ASN HB3 1 35 ARG H 2.900 . 4.000 3.924 3.562 4.160 0.160 13 0 "[ . 1 . 2]" 1
227 1 24 ASN HB3 1 35 ARG QB 2.900 . 4.000 3.162 2.633 3.784 . 0 0 "[ . 1 . 2]" 1
228 1 24 ASN HB3 1 35 ARG HG2 4.000 . 6.000 5.406 4.050 6.047 0.047 15 0 "[ . 1 . 2]" 1
229 1 24 ASN HB3 1 35 ARG HG3 4.300 . 6.000 4.989 3.803 6.024 0.024 5 0 "[ . 1 . 2]" 1
230 1 24 ASN QD 1 25 VAL HB 3.900 . 5.800 5.118 4.827 5.399 . 0 0 "[ . 1 . 2]" 1
231 1 24 ASN QD 1 26 ASN HA 2.800 . 3.800 2.754 2.256 3.365 . 0 0 "[ . 1 . 2]" 1
232 1 24 ASN QD 1 26 ASN HB2 3.800 . 5.600 3.984 2.967 4.898 . 0 0 "[ . 1 . 2]" 1
233 1 24 ASN QD 1 26 ASN QD 2.900 . 3.900 2.298 2.008 3.372 . 0 0 "[ . 1 . 2]" 1
234 1 24 ASN QD 1 33 CYS HA 6.000 . 6.000 3.622 3.000 4.570 . 0 0 "[ . 1 . 2]" 1
235 1 24 ASN QD 1 34 ASP H 3.000 . 3.900 2.502 2.108 2.877 . 0 0 "[ . 1 . 2]" 1
236 1 24 ASN QD 1 34 ASP QB 2.700 . 3.600 2.125 1.685 2.680 0.115 10 0 "[ . 1 . 2]" 1
237 1 24 ASN QD 1 35 ARG H 2.900 . 4.000 3.210 2.771 3.762 . 0 0 "[ . 1 . 2]" 1
238 1 25 VAL H 1 25 VAL HA 2.600 . 3.400 2.898 2.868 2.945 . 0 0 "[ . 1 . 2]" 1
239 1 25 VAL H 1 25 VAL HB 2.800 . 3.800 3.569 3.517 3.636 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL H 1 26 ASN H 3.200 . 4.500 4.144 3.605 4.443 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL HA 1 26 ASN H 2.200 . 2.800 2.192 2.129 2.509 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL HA 1 26 ASN HB2 4.200 . 6.000 4.705 4.241 5.598 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL HA 1 26 ASN HB3 6.000 . 6.000 5.642 5.262 5.985 . 0 0 "[ . 1 . 2]" 1
244 1 25 VAL HA 1 26 ASN QD 6.000 . 6.000 4.950 4.292 5.646 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL HB 1 26 ASN H 3.000 . 4.100 3.840 3.436 4.259 0.159 2 0 "[ . 1 . 2]" 1
246 1 26 ASN H 1 26 ASN HA 2.700 . 3.600 2.904 2.873 2.945 . 0 0 "[ . 1 . 2]" 1
247 1 26 ASN H 1 26 ASN HB3 2.800 . 3.800 3.557 3.062 3.741 . 0 0 "[ . 1 . 2]" 1
248 1 26 ASN H 1 26 ASN QD 3.200 . 4.400 3.505 2.951 4.026 . 0 0 "[ . 1 . 2]" 1
249 1 26 ASN HA 1 26 ASN HB2 2.400 . 3.100 2.971 2.758 3.031 . 0 0 "[ . 1 . 2]" 1
250 1 26 ASN HA 1 27 PHE H 2.000 . 2.500 2.360 2.061 2.626 0.126 6 0 "[ . 1 . 2]" 1
251 1 26 ASN HB2 1 26 ASN QD 3.500 . 5.000 2.585 2.042 3.270 . 0 0 "[ . 1 . 2]" 1
252 1 26 ASN HB2 1 27 PHE H 2.700 . 3.600 3.612 2.698 4.449 0.849 12 2 "[ - . 1 + . 2]" 1
253 1 26 ASN HB2 1 30 ARG HB2 3.800 . 5.600 4.006 2.666 5.190 . 0 0 "[ . 1 . 2]" 1
254 1 26 ASN HB2 1 34 ASP H 4.100 . 6.000 5.082 4.334 5.968 . 0 0 "[ . 1 . 2]" 1
255 1 26 ASN HB3 1 26 ASN QD . . 3.100 2.671 2.112 3.225 0.125 17 0 "[ . 1 . 2]" 1
256 1 26 ASN HB3 1 27 PHE H 3.300 . 4.700 2.712 1.943 3.595 . 0 0 "[ . 1 . 2]" 1
257 1 26 ASN HB3 1 30 ARG HB2 3.200 . 4.500 3.058 2.339 3.733 . 0 0 "[ . 1 . 2]" 1
258 1 26 ASN QD 1 33 CYS HA 2.800 . 3.800 1.784 1.292 2.145 0.508 15 1 "[ . 1 + 2]" 1
259 1 26 ASN QD 1 33 CYS QB 3.800 . 4.000 2.928 1.907 3.577 0.093 19 0 "[ . 1 . 2]" 1
260 1 26 ASN QD 1 34 ASP H 2.900 . 4.000 2.415 1.822 2.941 0.078 9 0 "[ . 1 . 2]" 1
261 1 27 PHE H 1 27 PHE HB2 2.400 . 3.100 2.478 2.222 3.531 0.431 2 0 "[ . 1 . 2]" 1
262 1 27 PHE H 1 27 PHE HB3 2.500 . 3.300 2.711 2.426 3.032 . 0 0 "[ . 1 . 2]" 1
263 1 27 PHE H 1 28 ALA H 3.000 . 4.100 3.702 3.043 4.501 0.401 13 0 "[ . 1 . 2]" 1
264 1 27 PHE H 1 30 ARG HB2 6.000 . 6.000 3.366 2.182 4.493 . 0 0 "[ . 1 . 2]" 1
265 1 27 PHE H 1 30 ARG QD 6.000 . 6.000 4.139 2.530 5.571 . 0 0 "[ . 1 . 2]" 1
266 1 27 PHE H 1 30 ARG HG2 3.100 . 4.300 4.120 3.059 4.551 0.251 6 0 "[ . 1 . 2]" 1
267 1 27 PHE H 1 30 ARG HG3 2.900 . 3.900 2.787 2.156 3.512 . 0 0 "[ . 1 . 2]" 1
268 1 27 PHE HA 1 28 ALA H 2.800 . 3.800 3.167 2.148 3.554 . 0 0 "[ . 1 . 2]" 1
269 1 27 PHE HB2 1 28 ALA H 3.600 . 5.200 3.523 2.210 4.360 . 0 0 "[ . 1 . 2]" 1
270 1 27 PHE HB2 1 29 ARG H 3.800 . 5.600 4.959 3.162 5.709 0.109 14 0 "[ . 1 . 2]" 1
271 1 27 PHE HB2 1 30 ARG H 4.100 . 6.000 5.358 3.924 6.890 0.890 16 1 "[ . 1 .+ 2]" 1
272 1 27 PHE HB2 1 30 ARG HG3 3.600 . 5.200 3.289 2.059 5.456 0.256 2 0 "[ . 1 . 2]" 1
273 1 27 PHE HB3 1 28 ALA H 2.600 . 3.500 2.291 1.682 3.672 0.172 11 0 "[ . 1 . 2]" 1
274 1 27 PHE HB3 1 29 ARG H 3.100 . 4.300 3.565 2.708 4.856 0.556 2 1 "[ + . 1 . 2]" 1
275 1 27 PHE HZ 1 29 ARG QB 3.900 . 5.800 5.605 4.512 5.877 0.077 1 0 "[ . 1 . 2]" 1
276 1 28 ALA H 1 29 ARG H 3.000 . 4.100 2.649 2.085 3.062 . 0 0 "[ . 1 . 2]" 1
277 1 28 ALA H 1 30 ARG H 3.000 . 4.100 3.219 2.111 4.224 0.124 19 0 "[ . 1 . 2]" 1
278 1 29 ARG H 1 29 ARG HA 2.900 . 4.000 2.876 2.825 2.910 . 0 0 "[ . 1 . 2]" 1
279 1 29 ARG H 1 29 ARG QB 2.300 . 2.900 2.327 2.059 2.713 . 0 0 "[ . 1 . 2]" 1
280 1 29 ARG H 1 29 ARG QD 2.900 . 3.900 3.640 2.433 4.256 0.356 2 0 "[ . 1 . 2]" 1
281 1 29 ARG H 1 29 ARG QG 2.500 . 3.300 2.752 2.005 3.526 0.226 16 0 "[ . 1 . 2]" 1
282 1 29 ARG H 1 30 ARG H 2.800 . 3.800 3.018 2.491 3.757 . 0 0 "[ . 1 . 2]" 1
283 1 29 ARG HA 1 29 ARG QB 2.100 . 2.700 2.348 2.153 2.509 . 0 0 "[ . 1 . 2]" 1
284 1 29 ARG HA 1 30 ARG H 2.600 . 3.500 2.906 2.260 3.402 . 0 0 "[ . 1 . 2]" 1
285 1 29 ARG QB 1 29 ARG HD2 2.300 . 3.000 2.427 1.931 2.845 . 0 0 "[ . 1 . 2]" 1
286 1 29 ARG QB 1 29 ARG HG2 2.100 . 2.700 2.140 1.948 2.347 . 0 0 "[ . 1 . 2]" 1
287 1 29 ARG QB 1 30 ARG H 6.000 . 6.000 3.788 3.161 4.036 . 0 0 "[ . 1 . 2]" 1
288 1 29 ARG QD 1 29 ARG HG2 2.400 . 3.100 2.109 2.081 2.131 . 0 0 "[ . 1 . 2]" 1
289 1 29 ARG QG 1 30 ARG H 6.000 . 6.000 4.235 2.722 5.063 . 0 0 "[ . 1 . 2]" 1
290 1 30 ARG H 1 30 ARG HB2 2.600 . 3.400 2.323 2.078 2.837 . 0 0 "[ . 1 . 2]" 1
291 1 30 ARG H 1 30 ARG QD 6.000 . 6.000 4.518 4.067 4.882 . 0 0 "[ . 1 . 2]" 1
292 1 30 ARG H 1 30 ARG HG2 2.700 . 3.600 3.472 2.932 3.690 0.090 5 0 "[ . 1 . 2]" 1
293 1 30 ARG HA 1 30 ARG HB2 2.800 . 3.800 2.980 2.889 3.027 . 0 0 "[ . 1 . 2]" 1
294 1 30 ARG HA 1 30 ARG QD 3.600 . 5.200 2.783 1.999 4.029 0.001 1 0 "[ . 1 . 2]" 1
295 1 30 ARG HA 1 30 ARG HE 6.000 . 6.000 4.283 2.366 5.633 . 0 0 "[ . 1 . 2]" 1
296 1 30 ARG HA 1 31 THR H 2.300 . 3.000 2.168 2.130 2.267 . 0 0 "[ . 1 . 2]" 1
297 1 30 ARG HA 1 32 SER H 2.900 . 3.900 3.405 3.145 3.838 . 0 0 "[ . 1 . 2]" 1
298 1 30 ARG HB2 1 30 ARG QD 3.200 . 4.500 3.154 2.625 3.358 . 0 0 "[ . 1 . 2]" 1
299 1 30 ARG HB2 1 32 SER H 6.000 . 6.000 4.331 3.933 4.935 . 0 0 "[ . 1 . 2]" 1
300 1 30 ARG HB3 1 30 ARG QD 2.900 . 3.900 2.188 1.907 2.412 . 0 0 "[ . 1 . 2]" 1
301 1 30 ARG HB3 1 32 SER H 6.000 . 6.000 2.801 2.384 3.389 . 0 0 "[ . 1 . 2]" 1
302 1 30 ARG QD 1 30 ARG HG3 2.600 . 3.400 2.324 2.138 2.534 . 0 0 "[ . 1 . 2]" 1
303 1 30 ARG QD 1 31 THR H 6.000 . 6.000 3.756 2.712 5.487 . 0 0 "[ . 1 . 2]" 1
304 1 30 ARG HG3 1 32 SER H 6.000 . 6.000 5.158 4.380 5.528 . 0 0 "[ . 1 . 2]" 1
305 1 31 THR H 1 32 SER H 2.500 . 3.300 2.369 2.151 2.745 . 0 0 "[ . 1 . 2]" 1
306 1 31 THR H 1 32 SER HB2 6.000 . 6.000 5.070 4.478 5.607 . 0 0 "[ . 1 . 2]" 1
307 1 31 THR HA 1 31 THR HB 2.700 . 3.600 2.848 2.705 2.952 . 0 0 "[ . 1 . 2]" 1
308 1 31 THR HA 1 32 SER H 3.000 . 4.100 3.297 3.016 3.493 . 0 0 "[ . 1 . 2]" 1
309 1 31 THR HA 1 40 LYS HB2 3.300 . 4.700 2.937 2.069 4.023 . 0 0 "[ . 1 . 2]" 1
310 1 31 THR HB 1 32 SER H 6.000 . 6.000 3.675 3.152 4.013 . 0 0 "[ . 1 . 2]" 1
311 1 32 SER H 1 32 SER HA 2.700 . 3.600 2.918 2.883 2.941 . 0 0 "[ . 1 . 2]" 1
312 1 32 SER H 1 33 CYS H 6.000 . 6.000 4.376 4.274 4.502 . 0 0 "[ . 1 . 2]" 1
313 1 32 SER HA 1 32 SER HB2 2.500 . 3.300 2.944 2.772 3.038 . 0 0 "[ . 1 . 2]" 1
314 1 32 SER HA 1 32 SER HB3 2.700 . 3.600 2.318 2.245 2.465 . 0 0 "[ . 1 . 2]" 1
315 1 32 SER HA 1 33 CYS H 2.200 . 2.800 2.320 2.170 2.483 . 0 0 "[ . 1 . 2]" 1
316 1 32 SER HA 1 39 GLU H 4.500 . 6.000 4.512 3.831 5.011 . 0 0 "[ . 1 . 2]" 1
317 1 32 SER HA 1 39 GLU HA 2.300 . 3.000 2.201 1.571 2.741 0.029 14 0 "[ . 1 . 2]" 1
318 1 32 SER HA 1 40 LYS H 2.600 . 3.500 3.066 2.381 3.627 0.127 6 0 "[ . 1 . 2]" 1
319 1 32 SER HB2 1 33 CYS H 2.900 . 4.000 3.331 2.716 3.844 . 0 0 "[ . 1 . 2]" 1
320 1 32 SER HB2 1 39 GLU HA 4.800 . 6.000 4.313 3.607 5.030 . 0 0 "[ . 1 . 2]" 1
321 1 32 SER HB2 1 40 LYS H 6.000 . 6.000 5.712 5.024 6.032 0.032 20 0 "[ . 1 . 2]" 1
322 1 32 SER HB3 1 33 CYS H 2.900 . 4.000 2.947 2.376 3.455 . 0 0 "[ . 1 . 2]" 1
323 1 32 SER HB3 1 39 GLU HA 3.100 . 4.300 2.968 2.205 3.657 . 0 0 "[ . 1 . 2]" 1
324 1 32 SER HB3 1 40 LYS H 6.000 . 6.000 4.774 3.833 5.541 . 0 0 "[ . 1 . 2]" 1
325 1 33 CYS H 1 33 CYS QB . . 3.100 2.238 2.065 2.902 . 0 0 "[ . 1 . 2]" 1
326 1 33 CYS H 1 34 ASP H 6.000 . 6.000 4.584 4.525 4.629 . 0 0 "[ . 1 . 2]" 1
327 1 33 CYS H 1 37 GLY H 6.000 . 6.000 3.877 3.157 4.945 . 0 0 "[ . 1 . 2]" 1
328 1 33 CYS H 1 37 GLY HA2 6.000 . 6.000 3.992 2.922 6.703 0.703 2 1 "[ + . 1 . 2]" 1
329 1 33 CYS H 1 38 ARG H 3.100 . 4.300 3.253 2.423 3.824 . 0 0 "[ . 1 . 2]" 1
330 1 33 CYS H 1 38 ARG HA 6.000 . 6.000 4.346 3.156 4.878 . 0 0 "[ . 1 . 2]" 1
331 1 33 CYS H 1 38 ARG HB2 6.000 . 6.000 4.558 3.663 5.504 . 0 0 "[ . 1 . 2]" 1
332 1 33 CYS H 1 38 ARG HB3 6.000 . 6.000 4.589 3.776 5.786 . 0 0 "[ . 1 . 2]" 1
333 1 33 CYS H 1 39 GLU HA 2.900 . 3.900 3.708 2.992 4.078 0.178 19 0 "[ . 1 . 2]" 1
334 1 33 CYS H 1 40 LYS H 6.000 . 6.000 4.913 4.198 5.549 . 0 0 "[ . 1 . 2]" 1
335 1 33 CYS H 1 40 LYS HA 6.000 . 6.000 5.480 4.438 6.061 0.061 15 0 "[ . 1 . 2]" 1
336 1 33 CYS HA 1 33 CYS QB 3.100 . 3.300 2.372 2.127 2.480 . 0 0 "[ . 1 . 2]" 1
337 1 33 CYS HA 1 34 ASP H 2.000 . 2.500 2.265 2.138 2.421 . 0 0 "[ . 1 . 2]" 1
338 1 33 CYS HA 1 38 ARG H 6.000 . 6.000 4.926 4.245 5.560 . 0 0 "[ . 1 . 2]" 1
339 1 33 CYS QB 1 34 ASP H 3.000 . 4.100 3.191 2.209 3.645 . 0 0 "[ . 1 . 2]" 1
340 1 33 CYS QB 1 35 ARG H 6.000 . 6.000 3.088 2.342 3.810 . 0 0 "[ . 1 . 2]" 1
341 1 33 CYS QB 1 36 CYS H 2.900 . 4.000 2.649 2.285 3.670 . 0 0 "[ . 1 . 2]" 1
342 1 33 CYS QB 1 37 GLY H 3.000 . 4.100 1.747 1.197 2.761 0.703 15 4 "[- .* * + 2]" 1
343 1 33 CYS QB 1 38 ARG H 2.400 . 3.100 2.252 1.654 3.028 0.146 11 0 "[ . 1 . 2]" 1
344 1 34 ASP H 1 34 ASP HA 2.600 . 3.500 2.910 2.852 2.938 . 0 0 "[ . 1 . 2]" 1
345 1 34 ASP H 1 34 ASP HB2 2.200 . 2.800 2.507 2.162 3.431 0.631 4 1 "[ +. 1 . 2]" 1
346 1 34 ASP H 1 35 ARG H 2.700 . 3.600 2.236 2.027 2.509 . 0 0 "[ . 1 . 2]" 1
347 1 34 ASP H 1 36 CYS H 4.300 . 6.000 4.109 3.561 4.486 . 0 0 "[ . 1 . 2]" 1
348 1 34 ASP HA 1 35 ARG H 6.000 . 6.000 3.402 3.196 3.548 . 0 0 "[ . 1 . 2]" 1
349 1 34 ASP QB 1 35 ARG H 2.900 . 4.000 3.070 2.569 3.452 . 0 0 "[ . 1 . 2]" 1
350 1 35 ARG H 1 35 ARG QB 2.500 . 3.300 2.328 2.137 2.713 . 0 0 "[ . 1 . 2]" 1
351 1 35 ARG H 1 35 ARG HD2 6.000 . 6.000 5.385 4.413 6.253 0.253 9 0 "[ . 1 . 2]" 1
352 1 35 ARG H 1 36 CYS H 2.300 . 2.900 2.336 1.934 2.586 . 0 0 "[ . 1 . 2]" 1
353 1 35 ARG H 1 36 CYS HB2 6.000 . 6.000 5.472 4.349 6.202 0.202 4 0 "[ . 1 . 2]" 1
354 1 35 ARG H 1 37 GLY H 2.900 . 3.900 3.598 2.949 4.056 0.156 2 0 "[ . 1 . 2]" 1
355 1 35 ARG HA 1 35 ARG HD2 3.000 . 4.100 3.872 2.170 4.897 0.797 9 2 "[ - +1 . 2]" 1
356 1 35 ARG HA 1 35 ARG HG2 2.600 . 3.400 2.713 2.020 3.998 0.598 5 1 "[ + 1 . 2]" 1
357 1 35 ARG HA 1 35 ARG HG3 2.900 . 3.900 3.080 2.197 3.623 . 0 0 "[ . 1 . 2]" 1
358 1 35 ARG HA 1 36 CYS H 6.000 . 6.000 3.569 3.517 3.621 . 0 0 "[ . 1 . 2]" 1
359 1 35 ARG QB 1 36 CYS H 2.400 . 3.200 2.440 1.991 3.235 0.035 9 0 "[ . 1 . 2]" 1
360 1 35 ARG HD2 1 35 ARG HG2 2.600 . 3.400 2.642 2.219 3.005 . 0 0 "[ . 1 . 2]" 1
361 1 35 ARG HD3 1 35 ARG HG2 2.500 . 3.300 2.657 2.249 3.015 . 0 0 "[ . 1 . 2]" 1
362 1 35 ARG HG2 1 36 CYS H 3.400 . 4.800 4.495 3.544 5.095 0.295 14 0 "[ . 1 . 2]" 1
363 1 35 ARG HG3 1 36 CYS H 3.500 . 5.000 4.630 3.269 5.078 0.078 7 0 "[ . 1 . 2]" 1
364 1 36 CYS H 1 36 CYS HA 2.700 . 3.600 2.893 2.843 2.951 . 0 0 "[ . 1 . 2]" 1
365 1 36 CYS H 1 36 CYS HB2 2.700 . 3.600 3.283 2.453 3.836 0.236 12 0 "[ . 1 . 2]" 1
366 1 36 CYS H 1 36 CYS HB3 3.000 . 4.100 3.175 2.634 3.667 . 0 0 "[ . 1 . 2]" 1
367 1 36 CYS H 1 37 GLY H 2.200 . 2.800 2.387 1.876 2.687 . 0 0 "[ . 1 . 2]" 1
368 1 36 CYS H 1 37 GLY HA2 3.500 . 5.000 4.638 4.157 4.948 . 0 0 "[ . 1 . 2]" 1
369 1 36 CYS H 1 38 ARG H 3.500 . 5.000 4.256 3.486 5.152 0.152 14 0 "[ . 1 . 2]" 1
370 1 36 CYS HA 1 36 CYS HB2 2.200 . 2.800 2.689 2.374 2.999 0.199 1 0 "[ . 1 . 2]" 1
371 1 36 CYS HA 1 36 CYS HB3 2.200 . 2.800 2.368 2.223 2.511 . 0 0 "[ . 1 . 2]" 1
372 1 36 CYS HA 1 37 GLY H 2.800 . 3.800 3.520 3.417 3.579 . 0 0 "[ . 1 . 2]" 1
373 1 36 CYS HB2 1 37 GLY H 2.900 . 3.900 3.206 2.205 4.088 0.188 12 0 "[ . 1 . 2]" 1
374 1 36 CYS HB2 1 38 ARG H 6.000 . 6.000 3.509 1.905 6.057 0.057 14 0 "[ . 1 . 2]" 1
375 1 36 CYS HB3 1 37 GLY H 6.000 . 6.000 3.930 3.447 4.516 . 0 0 "[ . 1 . 2]" 1
376 1 37 GLY H 1 37 GLY HA2 2.200 . 2.800 2.475 2.302 2.952 0.152 9 0 "[ . 1 . 2]" 1
377 1 37 GLY H 1 37 GLY HA3 2.500 . 3.300 2.867 2.493 2.956 . 0 0 "[ . 1 . 2]" 1
378 1 37 GLY H 1 38 ARG H 2.600 . 3.400 2.378 1.858 3.416 0.016 14 0 "[ . 1 . 2]" 1
379 1 37 GLY HA2 1 38 ARG H 3.200 . 4.500 3.181 2.707 3.546 . 0 0 "[ . 1 . 2]" 1
380 1 37 GLY HA3 1 38 ARG H 4.300 . 6.000 3.204 2.149 3.536 . 0 0 "[ . 1 . 2]" 1
381 1 38 ARG H 1 38 ARG HB2 2.500 . 3.300 2.510 2.093 3.609 0.309 8 0 "[ . 1 . 2]" 1
382 1 38 ARG H 1 38 ARG QD 6.000 . 6.000 3.852 2.452 4.884 . 0 0 "[ . 1 . 2]" 1
383 1 38 ARG HA 1 38 ARG QD 2.800 . 3.800 2.790 1.843 3.693 . 0 0 "[ . 1 . 2]" 1
384 1 38 ARG HA 1 38 ARG QG 2.700 . 3.600 2.478 2.051 3.400 . 0 0 "[ . 1 . 2]" 1
385 1 38 ARG HA 1 39 GLU H 2.300 . 2.900 2.443 2.169 3.156 0.256 2 0 "[ . 1 . 2]" 1
386 1 38 ARG HB2 1 39 GLU H 6.000 . 6.000 3.729 2.304 4.375 . 0 0 "[ . 1 . 2]" 1
387 1 38 ARG HB3 1 38 ARG HE 3.000 . 4.100 4.169 2.928 5.025 0.925 1 3 "[+ .* - 1 . 2]" 1
388 1 38 ARG HB3 1 38 ARG QG 2.400 . 3.100 2.241 2.130 2.482 . 0 0 "[ . 1 . 2]" 1
389 1 38 ARG HB3 1 39 GLU H 6.000 . 6.000 2.872 1.495 3.906 0.005 2 0 "[ . 1 . 2]" 1
390 1 38 ARG QG 1 39 GLU H 6.000 . 6.000 3.325 2.324 4.181 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLU H 1 39 GLU HA 2.600 . 3.400 2.864 2.703 2.949 . 0 0 "[ . 1 . 2]" 1
392 1 39 GLU H 1 39 GLU HB2 3.400 . 4.900 2.888 2.104 3.701 . 0 0 "[ . 1 . 2]" 1
393 1 39 GLU H 1 39 GLU HB3 2.600 . 3.500 3.273 2.373 3.839 0.339 11 0 "[ . 1 . 2]" 1
394 1 39 GLU H 1 39 GLU HG2 3.300 . 4.700 2.997 1.954 4.370 . 0 0 "[ . 1 . 2]" 1
395 1 39 GLU H 1 39 GLU HG3 3.100 . 4.300 3.440 1.962 4.238 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLU HA 1 39 GLU HB2 2.600 . 3.400 2.799 2.346 3.032 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLU HA 1 39 GLU HB3 2.600 . 3.400 2.481 2.259 2.767 . 0 0 "[ . 1 . 2]" 1
398 1 39 GLU HA 1 39 GLU HG2 4.400 . 6.000 3.333 2.571 3.764 . 0 0 "[ . 1 . 2]" 1
399 1 39 GLU HA 1 39 GLU HG3 3.800 . 5.600 3.507 2.266 4.234 . 0 0 "[ . 1 . 2]" 1
400 1 39 GLU HA 1 40 LYS H 2.000 . 2.500 2.297 2.168 2.556 0.056 6 0 "[ . 1 . 2]" 1
401 1 39 GLU HA 1 40 LYS HB2 6.000 . 6.000 4.370 4.211 4.524 . 0 0 "[ . 1 . 2]" 1
402 1 39 GLU HB2 1 40 LYS H 2.900 . 4.000 3.380 2.225 4.176 0.176 2 0 "[ . 1 . 2]" 1
403 1 39 GLU HB2 1 41 THR H 6.000 . 6.000 4.927 3.864 5.995 . 0 0 "[ . 1 . 2]" 1
404 1 39 GLU HB3 1 40 LYS H 2.900 . 3.900 3.173 2.598 4.019 0.119 5 0 "[ . 1 . 2]" 1
405 1 39 GLU QG 1 40 LYS H 6.000 . 6.000 3.875 2.860 4.500 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS H 1 40 LYS HB2 2.300 . 2.900 2.324 2.098 2.690 . 0 0 "[ . 1 . 2]" 1
407 1 40 LYS H 1 40 LYS HB3 2.300 . 3.000 2.775 2.418 3.095 0.095 14 0 "[ . 1 . 2]" 1
408 1 40 LYS H 1 40 LYS HD2 6.000 . 6.000 5.088 4.496 5.965 . 0 0 "[ . 1 . 2]" 1
409 1 40 LYS H 1 40 LYS QG 3.700 . 5.000 3.889 3.688 4.011 . 0 0 "[ . 1 . 2]" 1
410 1 40 LYS HA 1 40 LYS HB2 2.700 . 3.600 2.601 2.428 2.760 . 0 0 "[ . 1 . 2]" 1
411 1 40 LYS HA 1 40 LYS QG 3.000 . 4.100 2.287 2.012 2.495 . 0 0 "[ . 1 . 2]" 1
412 1 40 LYS HA 1 41 THR H 2.000 . 2.500 2.268 2.101 2.555 0.055 6 0 "[ . 1 . 2]" 1
413 1 40 LYS HB2 1 41 THR H 3.400 . 4.900 4.572 4.406 4.644 . 0 0 "[ . 1 . 2]" 1
414 1 40 LYS HB3 1 40 LYS QG 3.200 . 4.500 2.344 2.138 2.522 . 0 0 "[ . 1 . 2]" 1
415 1 40 LYS HB3 1 41 THR H 3.400 . 4.800 4.309 4.027 4.447 . 0 0 "[ . 1 . 2]" 1
416 1 40 LYS HD2 1 40 LYS QE 3.000 . 4.100 2.233 2.138 2.524 . 0 0 "[ . 1 . 2]" 1
417 1 40 LYS QE 1 40 LYS QG 3.200 . 4.400 2.191 1.956 2.818 0.044 15 0 "[ . 1 . 2]" 1
418 1 40 LYS QG 1 41 THR H . . 4.300 3.622 3.225 4.181 . 0 0 "[ . 1 . 2]" 1
419 1 41 THR H 1 41 THR HA 2.700 . 3.600 2.866 2.714 2.940 . 0 0 "[ . 1 . 2]" 1
420 1 41 THR HA 1 41 THR HB 2.200 . 2.800 2.720 2.431 2.926 0.126 6 0 "[ . 1 . 2]" 1
421 1 41 THR HB 1 42 THR H 6.000 . 6.000 3.705 2.455 4.521 . 0 0 "[ . 1 . 2]" 1
422 1 42 THR H 1 42 THR HA 2.200 . 2.800 2.834 2.255 2.941 0.141 15 0 "[ . 1 . 2]" 1
423 1 42 THR HA 1 43 GLY H 6.000 . 6.000 2.726 2.124 3.583 . 0 0 "[ . 1 . 2]" 1
424 1 42 THR HB 1 43 GLY H 6.000 . 6.000 3.599 2.079 4.384 . 0 0 "[ . 1 . 2]" 1
425 1 43 GLY H 1 43 GLY HA3 2.700 . 3.600 2.673 2.326 2.948 . 0 0 "[ . 1 . 2]" 1
426 1 43 GLY HA2 1 44 PRO QD 2.600 . 3.400 2.463 1.733 3.487 0.087 4 0 "[ . 1 . 2]" 1
427 1 43 GLY HA3 1 44 PRO QD 2.600 . 3.500 2.594 1.844 3.535 0.035 2 0 "[ . 1 . 2]" 1
428 1 44 PRO HA 1 45 ILE H 2.500 . 3.300 2.765 2.143 3.495 0.195 8 0 "[ . 1 . 2]" 1
429 1 45 ILE H 1 45 ILE HA 3.000 . 4.100 2.925 2.878 2.949 . 0 0 "[ . 1 . 2]" 1
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