NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620725 |
2ndb   |
26054 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ndb
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 475
_Distance_constraint_stats_list.Viol_count 640
_Distance_constraint_stats_list.Viol_total 885.611
_Distance_constraint_stats_list.Viol_max 0.517
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0692
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.626 0.174 18 0 "[ . 1 . 2]"
1 4 LYS 3.834 0.517 8 1 "[ . + 1 . 2]"
1 5 CYS 3.324 0.250 16 0 "[ . 1 . 2]"
1 6 ILE 2.222 0.245 20 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 5.736 0.352 11 0 "[ . 1 . 2]"
1 9 ASP 4.174 0.344 11 0 "[ . 1 . 2]"
1 10 TYR 3.238 0.338 20 0 "[ . 1 . 2]"
1 11 GLY 2.176 0.176 2 0 "[ . 1 . 2]"
1 12 ARG 0.038 0.026 4 0 "[ . 1 . 2]"
1 13 CYS 1.664 0.228 2 0 "[ . 1 . 2]"
1 14 LYS 0.507 0.144 17 0 "[ . 1 . 2]"
1 15 TRP 4.674 0.198 16 0 "[ . 1 . 2]"
1 16 GLY 2.435 0.198 16 0 "[ . 1 . 2]"
1 17 GLY 0.392 0.073 6 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 1.536 0.202 15 0 "[ . 1 . 2]"
1 20 CYS 1.418 0.202 15 0 "[ . 1 . 2]"
1 21 CYS 0.419 0.210 13 0 "[ . 1 . 2]"
1 22 ARG 0.968 0.108 3 0 "[ . 1 . 2]"
1 23 GLY 0.571 0.121 11 0 "[ . 1 . 2]"
1 24 ARG 2.970 0.409 5 0 "[ . 1 . 2]"
1 25 GLY 2.776 0.456 4 0 "[ . 1 . 2]"
1 26 CYS 4.453 0.301 18 0 "[ . 1 . 2]"
1 27 ILE 2.424 0.170 4 0 "[ . 1 . 2]"
1 28 CYS 1.715 0.209 19 0 "[ . 1 . 2]"
1 29 SER 2.321 0.163 4 0 "[ . 1 . 2]"
1 30 ILE 1.219 0.395 15 0 "[ . 1 . 2]"
1 31 MET 1.406 0.395 15 0 "[ . 1 . 2]"
1 32 GLY 1.271 0.209 19 0 "[ . 1 . 2]"
1 33 THR 0.438 0.077 13 0 "[ . 1 . 2]"
1 34 ASN 0.106 0.038 16 0 "[ . 1 . 2]"
1 35 CYS 1.978 0.163 4 0 "[ . 1 . 2]"
1 36 GLU 2.657 0.170 4 0 "[ . 1 . 2]"
1 37 CYS 2.191 0.176 2 0 "[ . 1 . 2]"
1 38 LYS 4.770 0.456 4 0 "[ . 1 . 2]"
1 39 PRO 0.095 0.060 4 0 "[ . 1 . 2]"
1 40 ARG 0.983 0.255 9 0 "[ . 1 . 2]"
1 41 LEU 0.729 0.255 9 0 "[ . 1 . 2]"
1 42 ILE 0.259 0.121 12 0 "[ . 1 . 2]"
1 43 MET 0.527 0.170 15 0 "[ . 1 . 2]"
1 44 GLU 0.059 0.017 14 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.602 0.094 17 0 "[ . 1 . 2]"
1 47 GLY 0.275 0.175 4 0 "[ . 1 . 2]"
1 48 LEU 0.429 0.175 4 0 "[ . 1 . 2]"
1 49 ALA 0.112 0.037 9 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 3 LYS HA 1 4 LYS H 3.210 . 3.210 2.849 2.178 3.384 0.174 18 0 "[ . 1 . 2]" 1
2 1 4 LYS H 1 4 LYS QB 3.530 . 3.530 2.684 2.122 3.189 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS H 1 4 LYS QD 4.080 . 4.080 3.194 1.796 4.272 0.192 12 0 "[ . 1 . 2]" 1
4 1 4 LYS H 1 4 LYS QE 5.110 . 5.110 4.266 2.391 5.217 0.107 13 0 "[ . 1 . 2]" 1
5 1 4 LYS H 1 4 LYS QG 4.460 . 4.460 2.816 1.823 4.127 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS H 1 5 CYS H 5.500 . 5.500 2.842 1.712 4.452 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS HA 1 4 LYS QD 3.560 . 3.560 3.217 2.260 4.077 0.517 8 1 "[ . + 1 . 2]" 1
8 1 4 LYS HA 1 4 LYS QG 3.530 . 3.530 2.974 2.149 3.396 . 0 0 "[ . 1 . 2]" 1
9 1 4 LYS HA 1 5 CYS H 3.530 . 3.530 3.271 2.133 3.561 0.031 12 0 "[ . 1 . 2]" 1
10 1 4 LYS QB 1 5 CYS H 3.710 . 3.710 2.692 1.697 3.871 0.161 20 0 "[ . 1 . 2]" 1
11 1 4 LYS QB 1 5 CYS HA 4.390 . 4.390 4.069 3.687 4.640 0.250 16 0 "[ . 1 . 2]" 1
12 1 4 LYS QG 1 5 CYS H 4.000 . 4.000 2.748 1.766 4.019 0.019 12 0 "[ . 1 . 2]" 1
13 1 4 LYS QG 1 5 CYS HA 4.650 . 4.650 4.145 3.424 4.741 0.091 10 0 "[ . 1 . 2]" 1
14 1 5 CYS CB 1 21 CYS SG 3.490 . 3.490 3.025 3.018 3.043 . 0 0 "[ . 1 . 2]" 1
15 1 5 CYS H 1 5 CYS QB 3.160 . 3.160 2.919 2.582 3.389 0.229 19 0 "[ . 1 . 2]" 1
16 1 5 CYS H 1 6 ILE H 4.850 . 4.850 4.026 3.095 4.619 . 0 0 "[ . 1 . 2]" 1
17 1 5 CYS HA 1 6 ILE HG13 4.320 . 4.320 4.358 4.066 4.565 0.245 20 0 "[ . 1 . 2]" 1
18 1 5 CYS HA 1 19 PRO QB 4.360 . 4.360 3.581 2.275 4.442 0.082 4 0 "[ . 1 . 2]" 1
19 1 5 CYS HA 1 19 PRO QD 4.910 . 4.910 3.788 2.513 4.935 0.025 2 0 "[ . 1 . 2]" 1
20 1 5 CYS HA 1 19 PRO QG 4.630 . 4.630 2.497 2.170 3.158 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS HA 1 20 CYS H 5.500 . 5.500 5.124 4.071 5.606 0.106 12 0 "[ . 1 . 2]" 1
22 1 5 CYS HA 1 21 CYS H 5.320 . 5.320 4.899 4.346 5.396 0.076 4 0 "[ . 1 . 2]" 1
23 1 5 CYS QB 1 6 ILE HG13 4.730 . 4.730 2.421 2.201 3.219 . 0 0 "[ . 1 . 2]" 1
24 1 5 CYS QB 1 19 PRO QD 4.760 . 4.760 4.166 3.362 4.792 0.032 6 0 "[ . 1 . 2]" 1
25 1 5 CYS QB 1 21 CYS H 3.730 . 3.730 2.376 1.757 2.992 . 0 0 "[ . 1 . 2]" 1
26 1 5 CYS QB 1 21 CYS HA 3.350 . 3.350 2.983 2.201 3.346 . 0 0 "[ . 1 . 2]" 1
27 1 5 CYS HB2 1 6 ILE H 4.060 . 4.060 1.931 1.746 2.607 . 0 0 "[ . 1 . 2]" 1
28 1 5 CYS HB2 1 21 CYS HA 3.930 . 3.930 3.324 2.339 3.821 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS HB3 1 6 ILE H 4.060 . 4.060 3.191 2.074 3.880 . 0 0 "[ . 1 . 2]" 1
30 1 5 CYS HB3 1 21 CYS HA 3.930 . 3.930 3.416 2.683 3.963 0.033 5 0 "[ . 1 . 2]" 1
31 1 5 CYS SG 1 21 CYS CB 3.490 . 3.490 3.033 3.011 3.069 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS SG 1 21 CYS SG 2.040 . 2.040 2.019 2.015 2.024 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE H 1 6 ILE MD 4.070 . 4.070 2.554 1.720 3.363 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE H 1 6 ILE HG13 4.100 . 4.100 1.918 1.712 2.238 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE H 1 19 PRO QB 5.340 . 5.340 4.682 3.404 5.440 0.100 15 0 "[ . 1 . 2]" 1
36 1 6 ILE H 1 19 PRO QG 4.610 . 4.610 4.095 3.381 4.679 0.069 16 0 "[ . 1 . 2]" 1
37 1 6 ILE H 1 20 CYS H 5.500 . 5.500 4.984 4.136 5.634 0.134 2 0 "[ . 1 . 2]" 1
38 1 6 ILE H 1 21 CYS H 5.280 . 5.280 3.025 2.705 3.364 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE H 1 21 CYS HA 5.450 . 5.450 4.644 3.652 5.143 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE HA 1 7 ALA MB 5.500 . 5.500 3.816 3.704 4.304 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE HB 1 6 ILE MD 2.800 . 2.800 2.234 2.150 2.347 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE MD 1 7 ALA H 3.890 . 3.890 2.476 1.840 3.144 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE MD 1 7 ALA HA 4.770 . 4.770 3.371 2.852 4.137 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MD 1 8 LYS H 3.560 . 3.560 2.406 1.761 3.199 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE MD 1 20 CYS HA 3.830 . 3.830 3.061 2.070 3.592 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE MD 1 21 CYS H 3.840 . 3.840 2.474 1.943 2.898 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE HG13 1 21 CYS H 4.660 . 4.660 2.041 1.715 2.359 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE MG 1 21 CYS H 5.500 . 5.500 3.968 3.827 4.287 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA H 1 8 LYS H 4.590 . 4.590 2.845 1.731 3.727 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA MB 1 8 LYS H 4.250 . 4.250 2.629 1.858 3.714 . 0 0 "[ . 1 . 2]" 1
51 1 8 LYS H 1 8 LYS HB2 3.770 . 3.770 3.171 2.535 3.916 0.146 5 0 "[ . 1 . 2]" 1
52 1 8 LYS H 1 8 LYS QB 3.230 . 3.230 2.661 2.054 3.338 0.108 5 0 "[ . 1 . 2]" 1
53 1 8 LYS H 1 8 LYS HB3 3.770 . 3.770 3.123 2.076 3.618 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS H 1 8 LYS HD2 5.500 . 5.500 3.773 1.814 5.140 . 0 0 "[ . 1 . 2]" 1
55 1 8 LYS H 1 8 LYS QD 4.740 . 4.740 3.194 1.718 4.429 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS H 1 8 LYS HD3 5.500 . 5.500 3.744 1.882 5.852 0.352 11 0 "[ . 1 . 2]" 1
57 1 8 LYS H 1 8 LYS HE2 5.500 . 5.500 4.883 4.006 5.553 0.053 6 0 "[ . 1 . 2]" 1
58 1 8 LYS H 1 8 LYS HE3 5.500 . 5.500 4.740 4.110 5.694 0.194 11 0 "[ . 1 . 2]" 1
59 1 8 LYS H 1 9 ASP H 4.590 . 4.590 3.177 1.505 4.525 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS HA 1 8 LYS HD2 4.620 . 4.620 4.098 2.242 4.750 0.130 17 0 "[ . 1 . 2]" 1
61 1 8 LYS HA 1 8 LYS QD 3.980 . 3.980 3.631 2.095 4.205 0.225 7 0 "[ . 1 . 2]" 1
62 1 8 LYS HA 1 8 LYS HD3 4.620 . 4.620 4.255 2.343 4.797 0.177 9 0 "[ . 1 . 2]" 1
63 1 8 LYS HA 1 8 LYS QG 3.330 . 3.330 2.928 2.328 3.410 0.080 20 0 "[ . 1 . 2]" 1
64 1 8 LYS HA 1 9 ASP H 3.420 . 3.420 3.160 2.364 3.544 0.124 9 0 "[ . 1 . 2]" 1
65 1 8 LYS HA 1 9 ASP QB 4.880 . 4.880 4.433 3.935 4.791 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS QB 1 9 ASP H 4.050 . 4.050 2.882 1.749 4.006 . 0 0 "[ . 1 . 2]" 1
67 1 8 LYS HD2 1 9 ASP H 5.500 . 5.500 4.470 1.767 5.554 0.054 8 0 "[ . 1 . 2]" 1
68 1 8 LYS HD3 1 9 ASP H 5.500 . 5.500 4.670 2.501 5.844 0.344 11 0 "[ . 1 . 2]" 1
69 1 8 LYS QG 1 9 ASP H 4.020 . 4.020 3.361 2.073 4.339 0.319 12 0 "[ . 1 . 2]" 1
70 1 9 ASP H 1 9 ASP HB2 4.080 . 4.080 3.644 2.861 4.090 0.010 11 0 "[ . 1 . 2]" 1
71 1 9 ASP H 1 9 ASP QB 3.510 . 3.510 3.183 2.792 3.526 0.016 11 0 "[ . 1 . 2]" 1
72 1 9 ASP H 1 9 ASP HB3 4.080 . 4.080 3.670 2.881 4.016 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP H 1 10 TYR H 5.460 . 5.460 3.935 2.022 4.563 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP H 1 10 TYR HD1 5.500 . 5.500 5.266 4.633 5.838 0.338 20 0 "[ . 1 . 2]" 1
75 1 9 ASP HA 1 10 TYR HD1 4.660 . 4.660 3.806 3.054 4.432 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP HA 1 10 TYR HE1 5.210 . 5.210 4.788 3.407 5.248 0.038 10 0 "[ . 1 . 2]" 1
77 1 9 ASP HA 1 21 CYS QB 4.100 . 4.100 3.557 2.785 4.310 0.210 13 0 "[ . 1 . 2]" 1
78 1 9 ASP HA 1 22 ARG H 3.590 . 3.590 3.135 2.543 3.679 0.089 11 0 "[ . 1 . 2]" 1
79 1 9 ASP HA 1 22 ARG QB 4.040 . 4.040 3.267 2.293 4.128 0.088 9 0 "[ . 1 . 2]" 1
80 1 9 ASP QB 1 10 TYR HD1 3.610 . 3.610 2.328 2.103 3.593 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP QB 1 10 TYR HE1 3.830 . 3.830 3.172 2.432 3.868 0.038 11 0 "[ . 1 . 2]" 1
82 1 9 ASP QB 1 22 ARG H 5.340 . 5.340 4.106 3.335 5.312 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASP HB2 1 10 TYR HE1 4.610 . 4.610 3.894 2.957 4.777 0.167 19 0 "[ . 1 . 2]" 1
84 1 9 ASP HB3 1 10 TYR HE1 4.610 . 4.610 3.739 2.492 4.724 0.114 12 0 "[ . 1 . 2]" 1
85 1 10 TYR H 1 10 TYR HD1 5.500 . 5.500 2.742 1.786 3.397 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QB 1 10 TYR HD1 3.000 . 3.000 2.562 2.393 3.165 0.165 12 0 "[ . 1 . 2]" 1
87 1 10 TYR HD1 1 11 GLY H 5.500 . 5.500 5.297 4.270 5.606 0.106 13 0 "[ . 1 . 2]" 1
88 1 10 TYR HD1 1 22 ARG H 5.500 . 5.500 5.386 4.788 5.608 0.108 3 0 "[ . 1 . 2]" 1
89 1 10 TYR HD1 1 22 ARG QB 4.340 . 4.340 3.467 2.866 4.379 0.039 8 0 "[ . 1 . 2]" 1
90 1 10 TYR HE1 1 22 ARG H 5.500 . 5.500 5.114 4.655 5.499 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HE1 1 22 ARG HA 5.500 . 5.500 4.938 3.722 5.592 0.092 9 0 "[ . 1 . 2]" 1
92 1 10 TYR HE1 1 22 ARG QB 3.710 . 3.710 2.394 2.090 2.829 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLY H 1 12 ARG H 4.590 . 4.590 4.329 3.605 4.616 0.026 4 0 "[ . 1 . 2]" 1
94 1 11 GLY H 1 37 CYS H 5.500 . 5.500 3.254 2.258 4.224 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLY H 1 37 CYS HA 5.500 . 5.500 4.693 4.067 5.250 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLY H 1 37 CYS HB2 5.500 . 5.500 3.403 2.379 4.231 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLY H 1 37 CYS QB 4.830 . 4.830 2.735 2.148 4.071 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLY H 1 37 CYS HB3 5.500 . 5.500 3.102 2.183 5.295 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLY H 1 37 CYS O 2.300 . 2.300 2.364 2.302 2.476 0.176 2 0 "[ . 1 . 2]" 1
100 1 11 GLY H 1 38 LYS H 5.500 . 5.500 5.275 4.928 5.509 0.009 4 0 "[ . 1 . 2]" 1
101 1 11 GLY H 1 38 LYS HA 5.500 . 5.500 4.385 3.896 4.683 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLY QA 1 12 ARG HA 5.300 . 5.300 3.977 3.944 4.008 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLY QA 1 37 CYS H 4.340 . 4.340 3.702 2.397 4.321 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLY QA 1 37 CYS QB 5.090 . 5.090 4.043 3.352 5.155 0.065 4 0 "[ . 1 . 2]" 1
105 1 11 GLY N 1 37 CYS O 3.300 . 3.300 3.274 3.106 3.376 0.076 2 0 "[ . 1 . 2]" 1
106 1 11 GLY O 1 37 CYS H 2.300 . 2.300 1.697 1.574 1.905 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLY O 1 37 CYS N 3.300 . 3.300 2.555 2.426 2.822 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG H 1 12 ARG HB2 3.800 . 3.800 2.956 2.101 3.656 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG H 1 12 ARG QB 3.010 . 3.010 2.459 2.080 3.008 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG H 1 12 ARG HB3 3.800 . 3.800 2.819 2.382 3.590 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG H 1 12 ARG HG2 5.500 . 5.500 3.670 1.820 4.746 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG H 1 12 ARG HG3 5.500 . 5.500 3.591 1.841 4.935 . 0 0 "[ . 1 . 2]" 1
113 1 12 ARG H 1 13 CYS H 5.420 . 5.420 4.530 4.398 4.630 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG H 1 36 GLU HA 5.480 . 5.480 4.636 3.885 5.185 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG H 1 37 CYS H 4.780 . 4.780 4.366 4.061 4.715 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG HA 1 12 ARG HD2 5.500 . 5.500 4.030 2.334 4.775 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG HA 1 12 ARG HD3 5.500 . 5.500 4.459 2.317 5.500 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG HA 1 13 CYS H 3.360 . 3.360 2.208 2.150 2.327 . 0 0 "[ . 1 . 2]" 1
119 1 13 CYS CB 1 26 CYS SG 3.490 . 3.490 3.028 3.018 3.041 . 0 0 "[ . 1 . 2]" 1
120 1 13 CYS H 1 14 LYS H 5.440 . 5.440 4.378 4.262 4.489 . 0 0 "[ . 1 . 2]" 1
121 1 13 CYS H 1 26 CYS HA 5.500 . 5.500 5.539 5.308 5.728 0.228 2 0 "[ . 1 . 2]" 1
122 1 13 CYS H 1 35 CYS H 5.500 . 5.500 5.246 4.841 5.613 0.113 12 0 "[ . 1 . 2]" 1
123 1 13 CYS H 1 35 CYS HB2 5.500 . 5.500 3.635 3.067 4.243 . 0 0 "[ . 1 . 2]" 1
124 1 13 CYS H 1 35 CYS QB 4.650 . 4.650 3.186 2.828 3.511 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS H 1 35 CYS HB3 5.500 . 5.500 3.611 3.001 4.139 . 0 0 "[ . 1 . 2]" 1
126 1 13 CYS H 1 35 CYS O 2.300 . 2.300 2.208 1.753 2.299 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS H 1 36 GLU H 5.500 . 5.500 4.528 3.998 5.022 . 0 0 "[ . 1 . 2]" 1
128 1 13 CYS H 1 36 GLU HA 3.810 . 3.810 2.836 2.053 3.508 . 0 0 "[ . 1 . 2]" 1
129 1 13 CYS H 1 36 GLU HG2 5.500 . 5.500 4.793 3.492 5.506 0.006 16 0 "[ . 1 . 2]" 1
130 1 13 CYS H 1 36 GLU HG3 5.500 . 5.500 4.748 3.380 5.499 . 0 0 "[ . 1 . 2]" 1
131 1 13 CYS H 1 37 CYS H 5.400 . 5.400 3.561 2.847 4.121 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS HA 1 14 LYS H 3.450 . 3.450 2.441 2.221 2.671 . 0 0 "[ . 1 . 2]" 1
133 1 13 CYS HA 1 37 CYS H 5.500 . 5.500 5.110 4.076 5.603 0.103 16 0 "[ . 1 . 2]" 1
134 1 13 CYS QB 1 14 LYS H 3.510 . 3.510 2.700 2.092 3.550 0.040 6 0 "[ . 1 . 2]" 1
135 1 13 CYS QB 1 37 CYS H 4.930 . 4.930 3.230 1.978 4.271 . 0 0 "[ . 1 . 2]" 1
136 1 13 CYS N 1 35 CYS O 3.300 . 3.300 3.152 2.675 3.255 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS SG 1 26 CYS CB 3.490 . 3.490 3.025 3.013 3.044 . 0 0 "[ . 1 . 2]" 1
138 1 13 CYS SG 1 26 CYS SG 2.040 . 2.040 2.020 2.017 2.023 . 0 0 "[ . 1 . 2]" 1
139 1 14 LYS H 1 14 LYS HB2 4.170 . 4.170 3.002 2.650 3.475 . 0 0 "[ . 1 . 2]" 1
140 1 14 LYS H 1 14 LYS QB 3.420 . 3.420 2.744 2.571 2.845 . 0 0 "[ . 1 . 2]" 1
141 1 14 LYS H 1 14 LYS HB3 4.170 . 4.170 3.312 2.934 3.641 . 0 0 "[ . 1 . 2]" 1
142 1 14 LYS H 1 14 LYS QD 5.340 . 5.340 4.832 4.268 5.318 . 0 0 "[ . 1 . 2]" 1
143 1 14 LYS H 1 14 LYS QG 5.060 . 5.060 4.073 3.814 4.264 . 0 0 "[ . 1 . 2]" 1
144 1 14 LYS H 1 17 GLY H 5.500 . 5.500 4.520 3.767 5.166 . 0 0 "[ . 1 . 2]" 1
145 1 14 LYS H 1 17 GLY HA3 5.500 . 5.500 5.073 3.807 5.524 0.024 7 0 "[ . 1 . 2]" 1
146 1 14 LYS H 1 18 THR H 5.500 . 5.500 3.909 2.931 5.017 . 0 0 "[ . 1 . 2]" 1
147 1 14 LYS H 1 35 CYS QB 5.340 . 5.340 4.515 3.733 5.155 . 0 0 "[ . 1 . 2]" 1
148 1 14 LYS HA 1 14 LYS QG 3.600 . 3.600 2.233 2.133 2.397 . 0 0 "[ . 1 . 2]" 1
149 1 14 LYS HA 1 15 TRP H 3.170 . 3.170 2.170 2.129 2.299 . 0 0 "[ . 1 . 2]" 1
150 1 14 LYS HA 1 15 TRP HD1 5.470 . 5.470 4.708 3.851 5.497 0.027 14 0 "[ . 1 . 2]" 1
151 1 14 LYS HA 1 17 GLY H 5.040 . 5.040 4.359 3.855 5.030 . 0 0 "[ . 1 . 2]" 1
152 1 14 LYS QB 1 17 GLY H 4.370 . 4.370 2.624 1.822 3.646 . 0 0 "[ . 1 . 2]" 1
153 1 14 LYS QB 1 17 GLY HA3 4.450 . 4.450 2.476 2.171 3.150 . 0 0 "[ . 1 . 2]" 1
154 1 14 LYS HB2 1 17 GLY HA3 5.070 . 5.070 3.636 2.618 4.882 . 0 0 "[ . 1 . 2]" 1
155 1 14 LYS HB3 1 17 GLY HA3 5.070 . 5.070 2.536 2.318 3.190 . 0 0 "[ . 1 . 2]" 1
156 1 14 LYS QD 1 15 TRP H 5.340 . 5.340 4.532 2.440 5.427 0.087 11 0 "[ . 1 . 2]" 1
157 1 14 LYS QD 1 17 GLY HA3 5.340 . 5.340 3.405 2.132 5.120 . 0 0 "[ . 1 . 2]" 1
158 1 14 LYS QG 1 15 TRP H 3.860 . 3.860 3.329 2.601 4.004 0.144 17 0 "[ . 1 . 2]" 1
159 1 14 LYS QG 1 17 GLY H 4.430 . 4.430 3.609 2.407 4.451 0.021 14 0 "[ . 1 . 2]" 1
160 1 15 TRP H 1 15 TRP QB 3.120 . 3.120 2.464 2.049 2.934 . 0 0 "[ . 1 . 2]" 1
161 1 15 TRP H 1 15 TRP HD1 4.430 . 4.430 3.084 2.336 3.846 . 0 0 "[ . 1 . 2]" 1
162 1 15 TRP H 1 15 TRP HE3 5.500 . 5.500 4.549 2.866 5.623 0.123 8 0 "[ . 1 . 2]" 1
163 1 15 TRP H 1 16 GLY H 5.500 . 5.500 3.122 2.474 4.637 . 0 0 "[ . 1 . 2]" 1
164 1 15 TRP H 1 17 GLY H 5.500 . 5.500 4.110 3.386 4.597 . 0 0 "[ . 1 . 2]" 1
165 1 15 TRP H 1 26 CYS QB 4.250 . 4.250 4.021 3.010 4.333 0.083 17 0 "[ . 1 . 2]" 1
166 1 15 TRP HA 1 15 TRP HD1 3.990 . 3.990 3.436 2.415 4.047 0.057 14 0 "[ . 1 . 2]" 1
167 1 15 TRP HA 1 15 TRP HE1 5.500 . 5.500 5.125 4.384 5.679 0.179 17 0 "[ . 1 . 2]" 1
168 1 15 TRP HA 1 15 TRP HE3 5.000 . 5.000 4.013 2.636 5.120 0.120 15 0 "[ . 1 . 2]" 1
169 1 15 TRP HA 1 16 GLY H 3.350 . 3.350 3.209 2.137 3.543 0.193 20 0 "[ . 1 . 2]" 1
170 1 15 TRP QB 1 15 TRP HD1 3.370 . 3.370 2.655 2.469 3.077 . 0 0 "[ . 1 . 2]" 1
171 1 15 TRP QB 1 15 TRP HE3 3.370 . 3.370 2.620 2.406 2.953 . 0 0 "[ . 1 . 2]" 1
172 1 15 TRP QB 1 16 GLY H 3.940 . 3.940 2.885 1.974 3.546 . 0 0 "[ . 1 . 2]" 1
173 1 15 TRP HB2 1 16 GLY H 4.550 . 4.550 3.200 1.985 4.540 . 0 0 "[ . 1 . 2]" 1
174 1 15 TRP HB2 1 17 GLY H 5.500 . 5.500 4.947 4.222 5.472 . 0 0 "[ . 1 . 2]" 1
175 1 15 TRP HB3 1 16 GLY H 4.550 . 4.550 3.639 2.251 4.387 . 0 0 "[ . 1 . 2]" 1
176 1 15 TRP HB3 1 17 GLY H 5.500 . 5.500 5.212 4.399 5.573 0.073 6 0 "[ . 1 . 2]" 1
177 1 15 TRP HD1 1 16 GLY H 5.500 . 5.500 5.339 4.492 5.698 0.198 16 0 "[ . 1 . 2]" 1
178 1 15 TRP HD1 1 26 CYS H 5.500 . 5.500 4.823 3.728 5.557 0.057 11 0 "[ . 1 . 2]" 1
179 1 15 TRP HD1 1 26 CYS HA 5.500 . 5.500 5.215 4.726 5.535 0.035 20 0 "[ . 1 . 2]" 1
180 1 15 TRP HD1 1 26 CYS HB2 4.110 . 4.110 3.552 2.519 4.145 0.035 7 0 "[ . 1 . 2]" 1
181 1 15 TRP HD1 1 26 CYS QB 3.460 . 3.460 2.512 2.304 2.788 . 0 0 "[ . 1 . 2]" 1
182 1 15 TRP HD1 1 26 CYS HB3 4.110 . 4.110 2.686 2.336 3.584 . 0 0 "[ . 1 . 2]" 1
183 1 15 TRP HE1 1 26 CYS HB2 5.500 . 5.500 3.444 1.800 5.465 . 0 0 "[ . 1 . 2]" 1
184 1 15 TRP HE1 1 26 CYS HB3 5.500 . 5.500 2.829 2.028 4.068 . 0 0 "[ . 1 . 2]" 1
185 1 15 TRP HE3 1 16 GLY H 5.500 . 5.500 4.141 1.949 5.549 0.049 10 0 "[ . 1 . 2]" 1
186 1 15 TRP HE3 1 16 GLY QA 5.260 . 5.260 4.491 3.226 5.267 0.007 11 0 "[ . 1 . 2]" 1
187 1 16 GLY H 1 17 GLY H 4.020 . 4.020 2.604 2.188 3.420 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLY H 1 18 THR H 4.870 . 4.870 3.560 2.598 4.150 . 0 0 "[ . 1 . 2]" 1
189 1 18 THR H 1 18 THR MG . . 3.720 2.351 1.815 3.319 . 0 0 "[ . 1 . 2]" 1
190 1 18 THR HA 1 18 THR MG 3.430 . 3.430 2.314 2.102 2.551 . 0 0 "[ . 1 . 2]" 1
191 1 19 PRO HA 1 20 CYS H 3.300 . 3.300 2.878 2.291 3.502 0.202 15 0 "[ . 1 . 2]" 1
192 1 19 PRO QB 1 20 CYS H 3.580 . 3.580 2.424 1.809 3.451 . 0 0 "[ . 1 . 2]" 1
193 1 19 PRO HB2 1 20 CYS H 4.330 . 4.330 2.550 1.820 3.635 . 0 0 "[ . 1 . 2]" 1
194 1 19 PRO HB3 1 20 CYS H 4.330 . 4.330 3.317 2.355 4.299 . 0 0 "[ . 1 . 2]" 1
195 1 19 PRO QG 1 20 CYS H 4.690 . 4.690 3.535 2.367 4.542 . 0 0 "[ . 1 . 2]" 1
196 1 19 PRO HG2 1 20 CYS H 5.500 . 5.500 3.777 2.390 5.302 . 0 0 "[ . 1 . 2]" 1
197 1 19 PRO HG3 1 20 CYS H 5.500 . 5.500 4.479 3.847 5.372 . 0 0 "[ . 1 . 2]" 1
198 1 20 CYS CB 1 37 CYS SG 3.490 . 3.490 3.027 3.015 3.082 . 0 0 "[ . 1 . 2]" 1
199 1 20 CYS H 1 20 CYS HB2 4.040 . 4.040 3.039 2.273 3.904 . 0 0 "[ . 1 . 2]" 1
200 1 20 CYS H 1 20 CYS QB 3.520 . 3.520 2.798 2.238 3.112 . 0 0 "[ . 1 . 2]" 1
201 1 20 CYS H 1 20 CYS HB3 4.040 . 4.040 3.378 2.896 3.930 . 0 0 "[ . 1 . 2]" 1
202 1 20 CYS H 1 21 CYS H 5.500 . 5.500 3.564 2.359 4.470 . 0 0 "[ . 1 . 2]" 1
203 1 20 CYS HA 1 21 CYS H 3.550 . 3.550 2.282 2.147 2.970 . 0 0 "[ . 1 . 2]" 1
204 1 20 CYS SG 1 37 CYS CB 3.490 . 3.490 3.028 3.013 3.064 . 0 0 "[ . 1 . 2]" 1
205 1 20 CYS SG 1 37 CYS SG 2.040 . 2.040 2.020 2.016 2.026 . 0 0 "[ . 1 . 2]" 1
206 1 22 ARG H 1 22 ARG QG 4.760 . 4.760 2.615 1.992 3.992 . 0 0 "[ . 1 . 2]" 1
207 1 22 ARG HA 1 22 ARG QD 4.320 . 4.320 3.450 2.155 4.127 . 0 0 "[ . 1 . 2]" 1
208 1 22 ARG QB 1 23 GLY H 4.340 . 4.340 3.409 2.310 3.877 . 0 0 "[ . 1 . 2]" 1
209 1 23 GLY H 1 24 ARG H 4.310 . 4.310 3.148 2.599 4.431 0.121 11 0 "[ . 1 . 2]" 1
210 1 23 GLY H 1 24 ARG HA 5.300 . 5.300 4.670 4.149 5.244 . 0 0 "[ . 1 . 2]" 1
211 1 23 GLY H 1 24 ARG HB3 5.010 . 5.010 4.794 4.035 5.107 0.097 11 0 "[ . 1 . 2]" 1
212 1 24 ARG H 1 24 ARG HB2 3.850 . 3.850 3.340 2.335 3.847 . 0 0 "[ . 1 . 2]" 1
213 1 24 ARG H 1 24 ARG QD 4.180 . 4.180 3.350 1.866 4.562 0.382 15 0 "[ . 1 . 2]" 1
214 1 24 ARG H 1 24 ARG QG 3.590 . 3.590 2.440 1.692 3.999 0.409 5 0 "[ . 1 . 2]" 1
215 1 24 ARG H 1 25 GLY H 5.500 . 5.500 2.422 1.607 2.976 . 0 0 "[ . 1 . 2]" 1
216 1 24 ARG QG 1 25 GLY QA 4.230 . 4.230 3.659 3.261 4.270 0.040 5 0 "[ . 1 . 2]" 1
217 1 24 ARG QG 1 26 CYS H 5.340 . 5.340 4.605 3.674 5.320 . 0 0 "[ . 1 . 2]" 1
218 1 25 GLY H 1 26 CYS H 4.440 . 4.440 3.548 3.146 4.189 . 0 0 "[ . 1 . 2]" 1
219 1 25 GLY H 1 38 LYS H 5.300 . 5.300 3.535 2.848 4.249 . 0 0 "[ . 1 . 2]" 1
220 1 25 GLY H 1 38 LYS O 2.300 . 2.300 2.383 2.294 2.482 0.182 14 0 "[ . 1 . 2]" 1
221 1 25 GLY QA 1 27 ILE H 4.840 . 4.840 4.505 3.773 4.872 0.032 17 0 "[ . 1 . 2]" 1
222 1 25 GLY QA 1 38 LYS H 3.760 . 3.760 3.124 2.153 3.692 . 0 0 "[ . 1 . 2]" 1
223 1 25 GLY QA 1 38 LYS QE 4.580 . 4.580 4.104 2.532 5.036 0.456 4 0 "[ . 1 . 2]" 1
224 1 25 GLY HA2 1 27 ILE H 5.500 . 5.500 5.066 4.241 5.479 . 0 0 "[ . 1 . 2]" 1
225 1 25 GLY HA3 1 27 ILE H 5.500 . 5.500 5.050 4.229 5.489 . 0 0 "[ . 1 . 2]" 1
226 1 25 GLY N 1 38 LYS O 3.300 . 3.300 3.047 2.773 3.192 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLY O 1 38 LYS H 2.300 . 2.300 2.096 1.602 2.366 0.066 14 0 "[ . 1 . 2]" 1
228 1 25 GLY O 1 38 LYS N 3.300 . 3.300 3.009 2.526 3.332 0.032 14 0 "[ . 1 . 2]" 1
229 1 26 CYS H 1 26 CYS HB2 3.690 . 3.690 2.442 2.178 2.681 . 0 0 "[ . 1 . 2]" 1
230 1 26 CYS H 1 26 CYS HB3 3.690 . 3.690 3.079 2.544 3.611 . 0 0 "[ . 1 . 2]" 1
231 1 26 CYS H 1 27 ILE H 4.790 . 4.790 4.171 3.725 4.398 . 0 0 "[ . 1 . 2]" 1
232 1 26 CYS H 1 27 ILE HB 5.500 . 5.500 5.322 4.974 5.653 0.153 19 0 "[ . 1 . 2]" 1
233 1 26 CYS H 1 37 CYS HA 5.500 . 5.500 4.090 3.513 4.644 . 0 0 "[ . 1 . 2]" 1
234 1 26 CYS HA 1 27 ILE H 3.520 . 3.520 2.187 2.088 2.368 . 0 0 "[ . 1 . 2]" 1
235 1 26 CYS HA 1 27 ILE MG 4.890 . 4.890 3.735 3.494 3.975 . 0 0 "[ . 1 . 2]" 1
236 1 26 CYS HA 1 36 GLU H 4.940 . 4.940 4.106 3.281 4.701 . 0 0 "[ . 1 . 2]" 1
237 1 26 CYS HA 1 36 GLU HB2 5.500 . 5.500 5.376 4.697 5.575 0.075 3 0 "[ . 1 . 2]" 1
238 1 26 CYS HA 1 36 GLU HB3 5.500 . 5.500 5.426 4.795 5.604 0.104 3 0 "[ . 1 . 2]" 1
239 1 26 CYS HA 1 38 LYS H 4.330 . 4.330 3.291 2.710 3.630 . 0 0 "[ . 1 . 2]" 1
240 1 26 CYS HA 1 38 LYS QB 5.340 . 5.340 5.256 4.148 5.641 0.301 18 0 "[ . 1 . 2]" 1
241 1 26 CYS HA 1 38 LYS QG 5.110 . 5.110 4.051 3.345 4.978 . 0 0 "[ . 1 . 2]" 1
242 1 26 CYS QB 1 37 CYS HA 4.260 . 4.260 3.610 2.814 4.184 . 0 0 "[ . 1 . 2]" 1
243 1 26 CYS QB 1 38 LYS H 5.340 . 5.340 4.811 4.079 5.324 . 0 0 "[ . 1 . 2]" 1
244 1 26 CYS HB2 1 37 CYS HA 5.140 . 5.140 3.944 2.854 4.927 . 0 0 "[ . 1 . 2]" 1
245 1 26 CYS HB3 1 37 CYS HA 5.140 . 5.140 4.535 4.028 4.882 . 0 0 "[ . 1 . 2]" 1
246 1 27 ILE H 1 27 ILE HB 3.830 . 3.830 2.973 2.673 3.278 . 0 0 "[ . 1 . 2]" 1
247 1 27 ILE H 1 27 ILE QG 4.430 . 4.430 4.005 3.923 4.105 . 0 0 "[ . 1 . 2]" 1
248 1 27 ILE H 1 27 ILE MG 3.550 . 3.550 1.905 1.720 2.132 . 0 0 "[ . 1 . 2]" 1
249 1 27 ILE H 1 28 CYS H 5.500 . 5.500 4.453 4.162 4.560 . 0 0 "[ . 1 . 2]" 1
250 1 27 ILE H 1 36 GLU H 5.170 . 5.170 3.272 2.501 3.645 . 0 0 "[ . 1 . 2]" 1
251 1 27 ILE H 1 36 GLU O 2.300 . 2.300 2.350 2.140 2.470 0.170 4 0 "[ . 1 . 2]" 1
252 1 27 ILE H 1 37 CYS HA 3.930 . 3.930 3.888 3.722 4.064 0.134 8 0 "[ . 1 . 2]" 1
253 1 27 ILE H 1 38 LYS H 4.990 . 4.990 4.046 3.489 4.464 . 0 0 "[ . 1 . 2]" 1
254 1 27 ILE H 1 38 LYS QE 5.340 . 5.340 4.279 3.446 5.343 0.003 5 0 "[ . 1 . 2]" 1
255 1 27 ILE H 1 38 LYS QG 4.150 . 4.150 3.583 2.870 4.221 0.071 5 0 "[ . 1 . 2]" 1
256 1 27 ILE HA 1 27 ILE QG 3.180 . 3.180 2.315 2.267 2.342 . 0 0 "[ . 1 . 2]" 1
257 1 27 ILE HA 1 28 CYS H 3.290 . 3.290 2.248 2.114 2.363 . 0 0 "[ . 1 . 2]" 1
258 1 27 ILE HB 1 27 ILE MD 3.400 . 3.400 2.248 2.148 2.322 . 0 0 "[ . 1 . 2]" 1
259 1 27 ILE HB 1 28 CYS H 4.790 . 4.790 4.001 3.766 4.466 . 0 0 "[ . 1 . 2]" 1
260 1 27 ILE QG 1 28 CYS H 3.670 . 3.670 2.132 1.748 3.218 . 0 0 "[ . 1 . 2]" 1
261 1 27 ILE HG12 1 28 CYS H 4.470 . 4.470 2.739 2.261 4.378 . 0 0 "[ . 1 . 2]" 1
262 1 27 ILE HG13 1 28 CYS H 4.470 . 4.470 2.284 1.800 3.311 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE MG 1 28 CYS H 4.320 . 4.320 3.681 3.455 4.140 . 0 0 "[ . 1 . 2]" 1
264 1 27 ILE MG 1 28 CYS HA 5.040 . 5.040 3.859 3.624 4.211 . 0 0 "[ . 1 . 2]" 1
265 1 27 ILE MG 1 38 LYS QB 5.340 . 5.340 4.002 3.295 4.609 . 0 0 "[ . 1 . 2]" 1
266 1 27 ILE MG 1 38 LYS QD 5.340 . 5.340 2.983 2.057 3.818 . 0 0 "[ . 1 . 2]" 1
267 1 27 ILE MG 1 38 LYS HE2 4.980 . 4.980 2.825 2.127 4.305 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE MG 1 38 LYS QE 4.280 . 4.280 2.437 2.054 3.639 . 0 0 "[ . 1 . 2]" 1
269 1 27 ILE MG 1 38 LYS HE3 4.980 . 4.980 2.990 2.142 4.491 . 0 0 "[ . 1 . 2]" 1
270 1 27 ILE N 1 36 GLU O 3.300 . 3.300 3.217 3.071 3.342 0.042 18 0 "[ . 1 . 2]" 1
271 1 27 ILE O 1 36 GLU H 2.300 . 2.300 2.117 1.811 2.376 0.076 19 0 "[ . 1 . 2]" 1
272 1 27 ILE O 1 36 GLU N 3.300 . 3.300 3.024 2.776 3.301 0.001 19 0 "[ . 1 . 2]" 1
273 1 28 CYS CB 1 35 CYS SG 3.490 . 3.490 3.027 3.021 3.034 . 0 0 "[ . 1 . 2]" 1
274 1 28 CYS H 1 28 CYS HB2 3.570 . 3.570 2.734 2.202 2.991 . 0 0 "[ . 1 . 2]" 1
275 1 28 CYS H 1 29 SER H 5.500 . 5.500 4.445 4.346 4.570 . 0 0 "[ . 1 . 2]" 1
276 1 28 CYS H 1 32 GLY HA2 5.500 . 5.500 5.412 5.079 5.709 0.209 19 0 "[ . 1 . 2]" 1
277 1 28 CYS HA 1 32 GLY H 5.500 . 5.500 5.440 4.971 5.570 0.070 2 0 "[ . 1 . 2]" 1
278 1 28 CYS HA 1 33 THR H 5.460 . 5.460 4.489 3.942 4.970 . 0 0 "[ . 1 . 2]" 1
279 1 28 CYS HA 1 35 CYS H 4.520 . 4.520 3.945 3.025 4.310 . 0 0 "[ . 1 . 2]" 1
280 1 28 CYS HA 1 36 GLU H 3.800 . 3.800 3.592 3.268 3.927 0.127 19 0 "[ . 1 . 2]" 1
281 1 28 CYS HB3 1 29 SER H 3.460 . 3.460 2.601 2.232 2.991 . 0 0 "[ . 1 . 2]" 1
282 1 28 CYS HB3 1 29 SER QB 4.400 . 4.400 4.331 4.060 4.537 0.137 18 0 "[ . 1 . 2]" 1
283 1 28 CYS HB3 1 32 GLY H 3.950 . 3.950 3.918 3.750 4.038 0.088 19 0 "[ . 1 . 2]" 1
284 1 28 CYS HB3 1 33 THR H 4.320 . 4.320 3.543 2.580 4.292 . 0 0 "[ . 1 . 2]" 1
285 1 28 CYS SG 1 35 CYS CB 3.490 . 3.490 3.033 3.019 3.057 . 0 0 "[ . 1 . 2]" 1
286 1 28 CYS SG 1 35 CYS SG 2.040 . 2.040 2.021 2.019 2.023 . 0 0 "[ . 1 . 2]" 1
287 1 29 SER H 1 29 SER QB 3.130 . 3.130 2.174 2.074 2.276 . 0 0 "[ . 1 . 2]" 1
288 1 29 SER H 1 30 ILE H 5.500 . 5.500 4.589 4.536 4.638 . 0 0 "[ . 1 . 2]" 1
289 1 29 SER H 1 32 GLY H 5.350 . 5.350 3.243 2.895 3.583 . 0 0 "[ . 1 . 2]" 1
290 1 29 SER H 1 33 THR H 4.640 . 4.640 2.776 2.445 3.001 . 0 0 "[ . 1 . 2]" 1
291 1 29 SER H 1 34 ASN QB 4.610 . 4.610 2.978 2.189 4.063 . 0 0 "[ . 1 . 2]" 1
292 1 29 SER H 1 35 CYS H 4.680 . 4.680 4.484 3.749 4.732 0.052 3 0 "[ . 1 . 2]" 1
293 1 29 SER H 1 35 CYS HA 4.320 . 4.320 4.377 4.273 4.483 0.163 4 0 "[ . 1 . 2]" 1
294 1 29 SER HA 1 30 ILE HA 5.420 . 5.420 4.306 4.296 4.317 . 0 0 "[ . 1 . 2]" 1
295 1 29 SER HA 1 30 ILE MG 4.880 . 4.880 4.262 3.845 4.573 . 0 0 "[ . 1 . 2]" 1
296 1 29 SER HA 1 32 GLY H 4.530 . 4.530 4.402 4.278 4.544 0.014 20 0 "[ . 1 . 2]" 1
297 1 29 SER QB 1 30 ILE H 3.430 . 3.430 2.660 1.969 3.388 . 0 0 "[ . 1 . 2]" 1
298 1 29 SER QB 1 30 ILE MG . . 4.560 3.137 2.837 3.799 . 0 0 "[ . 1 . 2]" 1
299 1 29 SER QB 1 31 MET H 4.390 . 4.390 2.437 2.144 3.343 . 0 0 "[ . 1 . 2]" 1
300 1 29 SER QB 1 32 GLY H 3.370 . 3.370 2.733 2.386 3.296 . 0 0 "[ . 1 . 2]" 1
301 1 29 SER QB 1 33 THR H 3.410 . 3.410 2.940 2.496 3.414 0.004 16 0 "[ . 1 . 2]" 1
302 1 29 SER QB 1 33 THR MG 4.360 . 4.360 2.743 2.321 3.212 . 0 0 "[ . 1 . 2]" 1
303 1 29 SER QB 1 34 ASN H 3.770 . 3.770 2.712 2.171 3.309 . 0 0 "[ . 1 . 2]" 1
304 1 29 SER QB 1 34 ASN QB 3.490 . 3.490 2.675 2.238 3.281 . 0 0 "[ . 1 . 2]" 1
305 1 29 SER HB2 1 30 ILE H 3.930 . 3.930 3.783 2.882 4.004 0.074 13 0 "[ . 1 . 2]" 1
306 1 29 SER HB2 1 34 ASN H 4.600 . 4.600 3.008 2.187 4.604 0.004 11 0 "[ . 1 . 2]" 1
307 1 29 SER HB2 1 34 ASN HB2 4.900 . 4.900 3.378 2.443 4.872 . 0 0 "[ . 1 . 2]" 1
308 1 29 SER HB2 1 34 ASN HB3 4.900 . 4.900 3.146 2.510 4.912 0.012 3 0 "[ . 1 . 2]" 1
309 1 29 SER HB3 1 30 ILE H 3.930 . 3.930 2.825 1.982 3.960 0.030 11 0 "[ . 1 . 2]" 1
310 1 29 SER HB3 1 34 ASN H 4.600 . 4.600 3.934 2.850 4.596 . 0 0 "[ . 1 . 2]" 1
311 1 29 SER HB3 1 34 ASN HB2 4.900 . 4.900 4.432 3.027 4.938 0.038 16 0 "[ . 1 . 2]" 1
312 1 29 SER HB3 1 34 ASN HB3 4.900 . 4.900 4.292 2.605 4.829 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE H 1 30 ILE HB 3.640 . 3.640 2.428 2.259 2.580 . 0 0 "[ . 1 . 2]" 1
314 1 30 ILE H 1 30 ILE MD 5.500 . 5.500 3.900 3.745 4.063 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE H 1 30 ILE HG12 5.410 . 5.410 4.625 4.374 4.670 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE H 1 30 ILE QG 4.620 . 4.620 4.035 3.996 4.081 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE H 1 30 ILE HG13 5.410 . 5.410 4.451 4.354 4.621 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE H 1 30 ILE MG . . 3.730 2.297 1.956 2.567 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE H 1 31 MET H 4.440 . 4.440 2.763 2.634 2.872 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE HA 1 30 ILE MD 3.470 . 3.470 2.301 2.066 3.521 0.051 15 0 "[ . 1 . 2]" 1
321 1 30 ILE HA 1 31 MET HG2 5.500 . 5.500 5.142 4.889 5.402 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE HA 1 31 MET HG3 5.490 . 5.490 5.409 5.107 5.506 0.016 5 0 "[ . 1 . 2]" 1
323 1 30 ILE QG 1 30 ILE MG . . 3.330 2.071 1.957 2.558 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE QG 1 31 MET HG2 3.930 . 3.930 3.844 3.276 4.325 0.395 15 0 "[ . 1 . 2]" 1
325 1 30 ILE MG 1 31 MET H 3.470 . 3.470 1.995 1.907 2.377 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE MG 1 31 MET HA 5.500 . 5.500 3.451 3.289 3.651 . 0 0 "[ . 1 . 2]" 1
327 1 30 ILE MG 1 31 MET HG2 5.080 . 5.080 2.207 2.074 2.438 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE MG 1 31 MET HG3 4.480 . 4.480 2.337 2.274 2.491 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE MG 1 32 GLY H 5.360 . 5.360 4.141 4.018 4.331 . 0 0 "[ . 1 . 2]" 1
330 1 31 MET H 1 31 MET QB 3.320 . 3.320 2.624 2.552 2.706 . 0 0 "[ . 1 . 2]" 1
331 1 31 MET H 1 31 MET HG2 4.460 . 4.460 2.672 2.512 3.016 . 0 0 "[ . 1 . 2]" 1
332 1 31 MET H 1 31 MET HG3 4.370 . 4.370 2.233 1.852 2.827 . 0 0 "[ . 1 . 2]" 1
333 1 31 MET H 1 32 GLY H 4.270 . 4.270 2.366 2.133 2.498 . 0 0 "[ . 1 . 2]" 1
334 1 31 MET H 1 32 GLY HA2 5.500 . 5.500 4.604 4.312 4.729 . 0 0 "[ . 1 . 2]" 1
335 1 31 MET H 1 33 THR MG 5.500 . 5.500 4.149 3.696 4.415 . 0 0 "[ . 1 . 2]" 1
336 1 31 MET HA 1 31 MET HG2 3.680 . 3.680 2.550 2.414 2.677 . 0 0 "[ . 1 . 2]" 1
337 1 31 MET HA 1 31 MET HG3 3.600 . 3.600 3.554 3.430 3.631 0.031 5 0 "[ . 1 . 2]" 1
338 1 31 MET HA 1 32 GLY H 3.520 . 3.520 3.525 3.412 3.563 0.043 12 0 "[ . 1 . 2]" 1
339 1 31 MET QB 1 32 GLY H 4.280 . 4.280 2.612 2.314 3.116 . 0 0 "[ . 1 . 2]" 1
340 1 31 MET QB 1 33 THR H 4.810 . 4.810 3.667 3.194 3.875 . 0 0 "[ . 1 . 2]" 1
341 1 31 MET QB 1 33 THR MG 4.150 . 4.150 2.508 2.196 3.130 . 0 0 "[ . 1 . 2]" 1
342 1 31 MET HB2 1 33 THR H 5.470 . 5.470 3.744 3.245 3.961 . 0 0 "[ . 1 . 2]" 1
343 1 31 MET HB2 1 33 THR MG 4.940 . 4.940 2.550 2.245 3.207 . 0 0 "[ . 1 . 2]" 1
344 1 31 MET HB3 1 33 THR H 5.470 . 5.470 5.239 4.701 5.505 0.035 18 0 "[ . 1 . 2]" 1
345 1 31 MET HB3 1 33 THR MG 4.940 . 4.940 3.747 3.107 4.360 . 0 0 "[ . 1 . 2]" 1
346 1 31 MET HG3 1 33 THR H 5.500 . 5.500 5.356 4.940 5.510 0.010 19 0 "[ . 1 . 2]" 1
347 1 32 GLY H 1 33 THR H 3.970 . 3.970 2.525 2.331 2.941 . 0 0 "[ . 1 . 2]" 1
348 1 32 GLY H 1 33 THR MG 4.780 . 4.780 3.265 2.912 3.799 . 0 0 "[ . 1 . 2]" 1
349 1 32 GLY HA3 1 33 THR HA 5.500 . 5.500 4.593 4.575 4.640 . 0 0 "[ . 1 . 2]" 1
350 1 33 THR H 1 33 THR MG 4.100 . 4.100 2.107 1.903 2.293 . 0 0 "[ . 1 . 2]" 1
351 1 33 THR H 1 34 ASN H 5.350 . 5.350 1.740 1.530 2.110 . 0 0 "[ . 1 . 2]" 1
352 1 33 THR H 1 34 ASN HA 4.830 . 4.830 4.485 4.319 4.738 . 0 0 "[ . 1 . 2]" 1
353 1 33 THR H 1 35 CYS H 5.500 . 5.500 3.951 3.352 4.193 . 0 0 "[ . 1 . 2]" 1
354 1 33 THR H 1 35 CYS HA 5.500 . 5.500 5.350 5.029 5.488 . 0 0 "[ . 1 . 2]" 1
355 1 33 THR HA 1 35 CYS H 3.800 . 3.800 3.721 3.505 3.877 0.077 13 0 "[ . 1 . 2]" 1
356 1 33 THR HB 1 34 ASN H 5.050 . 5.050 4.054 3.764 4.324 . 0 0 "[ . 1 . 2]" 1
357 1 33 THR MG 1 34 ASN H 4.050 . 4.050 2.042 1.705 2.714 . 0 0 "[ . 1 . 2]" 1
358 1 33 THR MG 1 34 ASN HA 4.510 . 4.510 3.583 3.305 3.934 . 0 0 "[ . 1 . 2]" 1
359 1 33 THR MG 1 35 CYS H 5.500 . 5.500 4.453 4.157 4.735 . 0 0 "[ . 1 . 2]" 1
360 1 34 ASN H 1 34 ASN HB2 4.080 . 4.080 2.655 2.333 3.634 . 0 0 "[ . 1 . 2]" 1
361 1 34 ASN H 1 34 ASN QB 3.410 . 3.410 2.347 2.224 2.498 . 0 0 "[ . 1 . 2]" 1
362 1 34 ASN H 1 34 ASN HB3 4.080 . 4.080 2.714 2.479 3.580 . 0 0 "[ . 1 . 2]" 1
363 1 34 ASN H 1 35 CYS H 4.280 . 4.280 3.185 2.543 3.438 . 0 0 "[ . 1 . 2]" 1
364 1 34 ASN HA 1 35 CYS H 3.420 . 3.420 2.751 2.644 3.138 . 0 0 "[ . 1 . 2]" 1
365 1 35 CYS H 1 35 CYS HB2 3.800 . 3.800 2.457 2.196 2.839 . 0 0 "[ . 1 . 2]" 1
366 1 35 CYS H 1 35 CYS QB 3.330 . 3.330 2.414 2.175 2.741 . 0 0 "[ . 1 . 2]" 1
367 1 35 CYS H 1 35 CYS HB3 3.800 . 3.800 3.582 3.503 3.616 . 0 0 "[ . 1 . 2]" 1
368 1 35 CYS HA 1 36 GLU H 3.470 . 3.470 2.179 2.140 2.304 . 0 0 "[ . 1 . 2]" 1
369 1 35 CYS QB 1 36 GLU H 4.100 . 4.100 3.510 3.260 3.824 . 0 0 "[ . 1 . 2]" 1
370 1 36 GLU H 1 36 GLU QB 3.630 . 3.630 2.457 2.267 2.934 . 0 0 "[ . 1 . 2]" 1
371 1 36 GLU H 1 36 GLU HG2 5.500 . 5.500 4.351 3.518 4.700 . 0 0 "[ . 1 . 2]" 1
372 1 36 GLU H 1 36 GLU QG 4.760 . 4.760 3.297 2.657 3.812 . 0 0 "[ . 1 . 2]" 1
373 1 36 GLU H 1 36 GLU HG3 5.500 . 5.500 3.450 2.749 4.283 . 0 0 "[ . 1 . 2]" 1
374 1 36 GLU H 1 37 CYS H 5.500 . 5.500 4.400 4.159 4.569 . 0 0 "[ . 1 . 2]" 1
375 1 36 GLU H 1 37 CYS HA 5.300 . 5.300 4.925 4.706 5.170 . 0 0 "[ . 1 . 2]" 1
376 1 36 GLU HA 1 36 GLU QG 3.730 . 3.730 2.252 2.131 2.566 . 0 0 "[ . 1 . 2]" 1
377 1 36 GLU QB 1 37 CYS H 4.170 . 4.170 3.049 2.609 3.629 . 0 0 "[ . 1 . 2]" 1
378 1 36 GLU HB2 1 37 CYS H 4.850 . 4.850 4.222 3.861 4.574 . 0 0 "[ . 1 . 2]" 1
379 1 36 GLU HB3 1 37 CYS H 4.850 . 4.850 3.134 2.647 3.807 . 0 0 "[ . 1 . 2]" 1
380 1 36 GLU QG 1 37 CYS H 4.710 . 4.710 3.630 3.124 4.360 . 0 0 "[ . 1 . 2]" 1
381 1 36 GLU HG2 1 37 CYS H 5.500 . 5.500 3.819 3.238 4.660 . 0 0 "[ . 1 . 2]" 1
382 1 36 GLU HG3 1 37 CYS H 5.500 . 5.500 4.555 4.106 5.248 . 0 0 "[ . 1 . 2]" 1
383 1 37 CYS H 1 38 LYS H 5.500 . 5.500 4.353 4.184 4.518 . 0 0 "[ . 1 . 2]" 1
384 1 38 LYS H 1 38 LYS HE2 5.500 . 5.500 5.035 4.135 5.560 0.060 7 0 "[ . 1 . 2]" 1
385 1 38 LYS H 1 38 LYS QE 4.650 . 4.650 4.154 3.894 4.673 0.023 6 0 "[ . 1 . 2]" 1
386 1 38 LYS H 1 38 LYS HE3 5.500 . 5.500 4.635 4.038 5.587 0.087 6 0 "[ . 1 . 2]" 1
387 1 38 LYS H 1 38 LYS QG 3.150 . 3.150 2.319 2.007 3.138 . 0 0 "[ . 1 . 2]" 1
388 1 38 LYS H 1 39 PRO HD2 5.500 . 5.500 4.891 4.822 5.014 . 0 0 "[ . 1 . 2]" 1
389 1 38 LYS H 1 39 PRO QD 4.760 . 4.760 4.386 4.337 4.429 . 0 0 "[ . 1 . 2]" 1
390 1 38 LYS H 1 39 PRO HD3 5.500 . 5.500 4.960 4.757 5.041 . 0 0 "[ . 1 . 2]" 1
391 1 38 LYS HA 1 38 LYS HD2 5.500 . 5.500 4.402 3.761 5.435 . 0 0 "[ . 1 . 2]" 1
392 1 38 LYS HA 1 38 LYS QD 4.810 . 4.810 4.042 3.591 4.306 . 0 0 "[ . 1 . 2]" 1
393 1 38 LYS HA 1 38 LYS HD3 5.500 . 5.500 4.808 4.196 5.299 . 0 0 "[ . 1 . 2]" 1
394 1 39 PRO HA 1 40 ARG QG 5.190 . 5.190 3.974 2.986 5.193 0.003 1 0 "[ . 1 . 2]" 1
395 1 39 PRO QB 1 40 ARG H 3.250 . 3.250 2.158 1.872 3.260 0.010 1 0 "[ . 1 . 2]" 1
396 1 39 PRO QG 1 40 ARG H 4.200 . 4.200 3.558 1.853 4.260 0.060 4 0 "[ . 1 . 2]" 1
397 1 40 ARG H 1 40 ARG QB 3.490 . 3.490 2.828 2.334 3.329 . 0 0 "[ . 1 . 2]" 1
398 1 40 ARG H 1 40 ARG HD2 5.500 . 5.500 4.562 1.777 5.510 0.010 14 0 "[ . 1 . 2]" 1
399 1 40 ARG H 1 40 ARG HD3 5.500 . 5.500 4.514 3.273 5.384 . 0 0 "[ . 1 . 2]" 1
400 1 40 ARG H 1 40 ARG HG2 3.570 . 3.570 2.839 1.820 3.720 0.150 4 0 "[ . 1 . 2]" 1
401 1 40 ARG H 1 40 ARG HG3 3.570 . 3.570 2.651 1.814 3.601 0.031 10 0 "[ . 1 . 2]" 1
402 1 40 ARG H 1 41 LEU H 4.810 . 4.810 4.251 2.960 4.642 . 0 0 "[ . 1 . 2]" 1
403 1 40 ARG HA 1 40 ARG HG2 3.980 . 3.980 3.067 2.268 4.192 0.212 4 0 "[ . 1 . 2]" 1
404 1 40 ARG HA 1 40 ARG HG3 3.980 . 3.980 3.466 2.946 3.878 . 0 0 "[ . 1 . 2]" 1
405 1 40 ARG HA 1 41 LEU MD1 3.860 . 3.860 3.103 2.229 3.740 . 0 0 "[ . 1 . 2]" 1
406 1 40 ARG QB 1 41 LEU H 3.420 . 3.420 2.258 1.708 3.562 0.142 9 0 "[ . 1 . 2]" 1
407 1 40 ARG QB 1 41 LEU HA 4.750 . 4.750 4.295 3.829 4.665 . 0 0 "[ . 1 . 2]" 1
408 1 40 ARG QG 1 41 LEU H 3.960 . 3.960 3.641 1.914 4.215 0.255 9 0 "[ . 1 . 2]" 1
409 1 41 LEU H 1 41 LEU QB 3.630 . 3.630 2.546 2.172 3.286 . 0 0 "[ . 1 . 2]" 1
410 1 41 LEU H 1 41 LEU MD1 3.600 . 3.600 2.088 1.773 2.565 . 0 0 "[ . 1 . 2]" 1
411 1 41 LEU H 1 42 ILE H 4.480 . 4.480 3.958 2.456 4.601 0.121 12 0 "[ . 1 . 2]" 1
412 1 41 LEU HA 1 41 LEU MD1 3.850 . 3.850 2.774 2.095 3.531 . 0 0 "[ . 1 . 2]" 1
413 1 41 LEU QB 1 42 ILE H 4.370 . 4.370 2.913 1.821 3.920 . 0 0 "[ . 1 . 2]" 1
414 1 41 LEU HB2 1 42 ILE H 5.070 . 5.070 3.660 1.831 4.587 . 0 0 "[ . 1 . 2]" 1
415 1 41 LEU HB3 1 42 ILE H 5.070 . 5.070 3.252 1.910 4.538 . 0 0 "[ . 1 . 2]" 1
416 1 42 ILE H 1 42 ILE HB 4.100 . 4.100 3.095 2.276 3.941 . 0 0 "[ . 1 . 2]" 1
417 1 42 ILE H 1 42 ILE MD 4.000 . 4.000 3.436 1.683 3.853 . 0 0 "[ . 1 . 2]" 1
418 1 42 ILE H 1 42 ILE HG12 4.980 . 4.980 3.440 1.768 4.778 . 0 0 "[ . 1 . 2]" 1
419 1 42 ILE H 1 42 ILE QG 4.320 . 4.320 2.964 1.641 4.169 . 0 0 "[ . 1 . 2]" 1
420 1 42 ILE H 1 42 ILE HG13 4.980 . 4.980 3.419 1.859 4.985 0.005 2 0 "[ . 1 . 2]" 1
421 1 42 ILE H 1 42 ILE MG 3.240 . 3.240 2.599 1.948 3.069 . 0 0 "[ . 1 . 2]" 1
422 1 42 ILE HB 1 43 MET H 4.520 . 4.520 3.417 2.083 4.204 . 0 0 "[ . 1 . 2]" 1
423 1 43 MET H 1 43 MET QB 3.600 . 3.600 2.554 2.230 3.077 . 0 0 "[ . 1 . 2]" 1
424 1 43 MET H 1 43 MET HG2 4.780 . 4.780 3.698 2.258 4.950 0.170 15 0 "[ . 1 . 2]" 1
425 1 43 MET H 1 43 MET QG 3.970 . 3.970 2.798 1.864 4.129 0.159 15 0 "[ . 1 . 2]" 1
426 1 43 MET H 1 43 MET HG3 4.780 . 4.780 3.105 1.959 4.421 . 0 0 "[ . 1 . 2]" 1
427 1 43 MET HA 1 43 MET HG2 3.950 . 3.950 3.197 2.516 3.639 . 0 0 "[ . 1 . 2]" 1
428 1 43 MET HA 1 43 MET QG 3.390 . 3.390 2.483 2.231 3.286 . 0 0 "[ . 1 . 2]" 1
429 1 43 MET HA 1 43 MET HG3 3.950 . 3.950 2.694 2.331 3.785 . 0 0 "[ . 1 . 2]" 1
430 1 43 MET HA 1 46 LEU H 5.500 . 5.500 4.918 3.308 5.533 0.033 19 0 "[ . 1 . 2]" 1
431 1 43 MET HA 1 48 LEU H 5.500 . 5.500 4.792 3.239 5.575 0.075 4 0 "[ . 1 . 2]" 1
432 1 43 MET QB 1 44 GLU H 4.030 . 4.030 3.152 2.379 3.783 . 0 0 "[ . 1 . 2]" 1
433 1 43 MET QB 1 46 LEU H 5.330 . 5.330 3.813 2.535 5.194 . 0 0 "[ . 1 . 2]" 1
434 1 43 MET QB 1 47 GLY H 5.340 . 5.340 3.944 2.117 5.391 0.051 15 0 "[ . 1 . 2]" 1
435 1 43 MET QB 1 48 LEU H 4.500 . 4.500 3.537 2.546 4.330 . 0 0 "[ . 1 . 2]" 1
436 1 43 MET QB 1 49 ALA H 4.290 . 4.290 3.683 2.331 4.238 . 0 0 "[ . 1 . 2]" 1
437 1 43 MET QG 1 44 GLU H 4.670 . 4.670 3.843 2.278 4.416 . 0 0 "[ . 1 . 2]" 1
438 1 43 MET QG 1 46 LEU H 5.340 . 5.340 5.028 4.036 5.368 0.028 12 0 "[ . 1 . 2]" 1
439 1 43 MET QG 1 49 ALA MB 5.340 . 5.340 2.941 2.150 4.188 . 0 0 "[ . 1 . 2]" 1
440 1 43 MET HG2 1 49 ALA H 5.500 . 5.500 3.831 2.415 5.326 . 0 0 "[ . 1 . 2]" 1
441 1 43 MET HG3 1 49 ALA H 5.500 . 5.500 4.173 2.327 5.278 . 0 0 "[ . 1 . 2]" 1
442 1 44 GLU H 1 44 GLU QB 3.530 . 3.530 2.322 2.059 2.955 . 0 0 "[ . 1 . 2]" 1
443 1 44 GLU H 1 45 GLY H 4.840 . 4.840 2.837 2.249 4.475 . 0 0 "[ . 1 . 2]" 1
444 1 44 GLU H 1 46 LEU H 5.500 . 5.500 4.233 3.384 5.517 0.017 14 0 "[ . 1 . 2]" 1
445 1 44 GLU H 1 49 ALA H 5.500 . 5.500 4.703 2.952 5.511 0.011 15 0 "[ . 1 . 2]" 1
446 1 44 GLU H 1 49 ALA MB 5.160 . 5.160 3.410 1.921 4.693 . 0 0 "[ . 1 . 2]" 1
447 1 44 GLU HA 1 44 GLU HG2 3.720 . 3.720 2.919 2.350 3.612 . 0 0 "[ . 1 . 2]" 1
448 1 44 GLU HA 1 44 GLU HG3 3.720 . 3.720 2.826 2.349 3.726 0.006 6 0 "[ . 1 . 2]" 1
449 1 44 GLU QG 1 45 GLY H 5.270 . 5.270 3.945 2.156 4.555 . 0 0 "[ . 1 . 2]" 1
450 1 45 GLY H 1 46 LEU H 3.540 . 3.540 2.429 1.492 3.426 . 0 0 "[ . 1 . 2]" 1
451 1 46 LEU H 1 46 LEU HB2 4.100 . 4.100 2.813 2.401 3.352 . 0 0 "[ . 1 . 2]" 1
452 1 46 LEU H 1 46 LEU QB 3.520 . 3.520 2.729 2.366 3.192 . 0 0 "[ . 1 . 2]" 1
453 1 46 LEU H 1 46 LEU HB3 4.100 . 4.100 3.741 3.574 4.009 . 0 0 "[ . 1 . 2]" 1
454 1 46 LEU H 1 46 LEU MD1 3.140 . 3.140 1.769 1.644 1.880 . 0 0 "[ . 1 . 2]" 1
455 1 46 LEU H 1 46 LEU HG 3.360 . 3.360 2.981 2.603 3.418 0.058 10 0 "[ . 1 . 2]" 1
456 1 46 LEU H 1 49 ALA H 5.500 . 5.500 5.048 3.644 5.484 . 0 0 "[ . 1 . 2]" 1
457 1 46 LEU HA 1 46 LEU HG 2.880 . 2.880 2.528 2.333 2.974 0.094 17 0 "[ . 1 . 2]" 1
458 1 46 LEU HA 1 48 LEU H 5.220 . 5.220 4.762 3.988 5.281 0.061 1 0 "[ . 1 . 2]" 1
459 1 46 LEU QB 1 47 GLY H 4.340 . 4.340 2.710 1.716 3.915 . 0 0 "[ . 1 . 2]" 1
460 1 47 GLY H 1 48 LEU H 3.990 . 3.990 2.486 1.542 3.710 . 0 0 "[ . 1 . 2]" 1
461 1 47 GLY H 1 48 LEU HA 5.100 . 5.100 4.673 4.091 5.275 0.175 4 0 "[ . 1 . 2]" 1
462 1 47 GLY H 1 49 ALA H 5.500 . 5.500 4.133 3.001 5.527 0.027 15 0 "[ . 1 . 2]" 1
463 1 47 GLY QA 1 49 ALA H 4.840 . 4.840 4.124 3.712 4.438 . 0 0 "[ . 1 . 2]" 1
464 1 48 LEU H 1 48 LEU QB 3.660 . 3.660 2.492 2.207 2.797 . 0 0 "[ . 1 . 2]" 1
465 1 48 LEU H 1 48 LEU MD2 4.050 . 4.050 3.567 3.464 3.818 . 0 0 "[ . 1 . 2]" 1
466 1 48 LEU H 1 49 ALA H 3.670 . 3.670 2.027 1.856 2.337 . 0 0 "[ . 1 . 2]" 1
467 1 48 LEU H 1 49 ALA HA 5.500 . 5.500 4.682 4.460 5.015 . 0 0 "[ . 1 . 2]" 1
468 1 48 LEU H 1 49 ALA MB 4.400 . 4.400 3.713 3.402 3.999 . 0 0 "[ . 1 . 2]" 1
469 1 48 LEU HA 1 48 LEU HG 2.870 . 2.870 2.597 2.530 2.632 . 0 0 "[ . 1 . 2]" 1
470 1 48 LEU QB 1 48 LEU MD2 3.040 . 3.040 2.123 2.083 2.141 . 0 0 "[ . 1 . 2]" 1
471 1 48 LEU QB 1 49 ALA H 3.500 . 3.500 2.708 2.541 2.751 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU MD2 1 49 ALA H 3.460 . 3.460 2.413 2.372 2.764 . 0 0 "[ . 1 . 2]" 1
473 1 48 LEU MD2 1 49 ALA HA . . 3.520 2.379 2.309 2.528 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU HG 1 49 ALA H 4.120 . 4.120 4.079 4.013 4.112 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU HG 1 49 ALA HA 4.200 . 4.200 4.138 4.075 4.237 0.037 9 0 "[ . 1 . 2]" 1
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