NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618138 |
5lqv   |
34036 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lqv
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 970
_Distance_constraint_stats_list.Viol_count 3036
_Distance_constraint_stats_list.Viol_total 4547.061
_Distance_constraint_stats_list.Viol_max 0.423
_Distance_constraint_stats_list.Viol_rms 0.0381
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_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 ALA 0.382 0.056 18 0 "[ . 1 . 2]"
1 2 ILE 1.032 0.082 15 0 "[ . 1 . 2]"
1 3 SER 0.423 0.130 15 0 "[ . 1 . 2]"
1 4 CYS 0.039 0.020 16 0 "[ . 1 . 2]"
1 5 GLY 3.320 0.163 15 0 "[ . 1 . 2]"
1 6 ALA 7.227 0.163 15 0 "[ . 1 . 2]"
1 7 VAL 7.770 0.132 15 0 "[ . 1 . 2]"
1 8 THR 1.738 0.086 8 0 "[ . 1 . 2]"
1 9 SER 2.241 0.133 7 0 "[ . 1 . 2]"
1 10 ASP 2.399 0.095 6 0 "[ . 1 . 2]"
1 11 LEU 6.513 0.171 20 0 "[ . 1 . 2]"
1 12 SER 0.103 0.017 20 0 "[ . 1 . 2]"
1 13 PRO 7.279 0.206 11 0 "[ . 1 . 2]"
1 14 CYS 5.174 0.122 17 0 "[ . 1 . 2]"
1 15 LEU 6.726 0.171 20 0 "[ . 1 . 2]"
1 16 THR 3.101 0.168 2 0 "[ . 1 . 2]"
1 17 TYR 0.647 0.039 1 0 "[ . 1 . 2]"
1 18 LEU 6.670 0.148 6 0 "[ . 1 . 2]"
1 19 THR 3.612 0.134 19 0 "[ . 1 . 2]"
1 20 GLY 1.966 0.158 20 0 "[ . 1 . 2]"
1 21 GLY 10.846 0.245 20 0 "[ . 1 . 2]"
1 22 PRO 11.203 0.245 20 0 "[ . 1 . 2]"
1 23 GLY 5.837 0.180 2 0 "[ . 1 . 2]"
1 24 PRO 7.398 0.177 20 0 "[ . 1 . 2]"
1 25 SER 2.870 0.163 8 0 "[ . 1 . 2]"
1 26 PRO 14.428 0.423 16 0 "[ . 1 . 2]"
1 27 GLN 4.046 0.112 10 0 "[ . 1 . 2]"
1 28 CYS 15.877 0.194 16 0 "[ . 1 . 2]"
1 29 CYS 5.648 0.194 16 0 "[ . 1 . 2]"
1 30 GLY 0.679 0.061 11 0 "[ . 1 . 2]"
1 31 GLY 1.992 0.206 11 0 "[ . 1 . 2]"
1 32 VAL 6.947 0.187 16 0 "[ . 1 . 2]"
1 33 LYS 3.938 0.227 11 0 "[ . 1 . 2]"
1 34 LYS 0.829 0.239 11 0 "[ . 1 . 2]"
1 35 LEU 11.300 0.239 11 0 "[ . 1 . 2]"
1 36 LEU 8.476 0.200 19 0 "[ . 1 . 2]"
1 37 ALA 1.505 0.107 15 0 "[ . 1 . 2]"
1 38 ALA 1.691 0.107 15 0 "[ . 1 . 2]"
1 39 ALA 9.741 0.245 19 0 "[ . 1 . 2]"
1 40 ASN 0.029 0.021 5 0 "[ . 1 . 2]"
1 41 THR 1.483 0.307 5 0 "[ . 1 . 2]"
1 42 THR 3.252 0.188 6 0 "[ . 1 . 2]"
1 43 PRO 6.664 0.213 7 0 "[ . 1 . 2]"
1 44 ASP 4.660 0.307 5 0 "[ . 1 . 2]"
1 45 ARG 4.804 0.245 19 0 "[ . 1 . 2]"
1 46 GLN 4.610 0.193 12 0 "[ . 1 . 2]"
1 47 ALA 1.790 0.097 10 0 "[ . 1 . 2]"
1 48 ALA 1.552 0.083 7 0 "[ . 1 . 2]"
1 49 CYS 3.437 0.202 9 0 "[ . 1 . 2]"
1 50 ASN 2.766 0.166 17 0 "[ . 1 . 2]"
1 51 CYS 0.611 0.086 15 0 "[ . 1 . 2]"
1 52 LEU 4.861 0.132 15 0 "[ . 1 . 2]"
1 53 LYS 7.493 0.270 11 0 "[ . 1 . 2]"
1 54 SER 0.541 0.114 7 0 "[ . 1 . 2]"
1 55 ALA 2.561 0.109 8 0 "[ . 1 . 2]"
1 56 ALA 3.534 0.174 3 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 5.936 0.174 3 0 "[ . 1 . 2]"
1 59 ILE 12.667 0.232 8 0 "[ . 1 . 2]"
1 60 THR 10.282 0.248 5 0 "[ . 1 . 2]"
1 61 LYS 8.917 0.248 5 0 "[ . 1 . 2]"
1 62 LEU 6.920 0.255 19 0 "[ . 1 . 2]"
1 63 ASN 2.359 0.158 20 0 "[ . 1 . 2]"
1 64 THR 0.619 0.058 19 0 "[ . 1 . 2]"
1 65 ASN 2.209 0.104 5 0 "[ . 1 . 2]"
1 66 ASN 3.075 0.148 6 0 "[ . 1 . 2]"
1 67 ALA 0.999 0.075 8 0 "[ . 1 . 2]"
1 68 ALA 1.849 0.085 18 0 "[ . 1 . 2]"
1 69 ALA 0.608 0.097 12 0 "[ . 1 . 2]"
1 70 LEU 6.457 0.135 8 0 "[ . 1 . 2]"
1 71 PRO 7.411 0.169 7 0 "[ . 1 . 2]"
1 72 GLY 2.544 0.114 20 0 "[ . 1 . 2]"
1 73 LYS 0.571 0.083 18 0 "[ . 1 . 2]"
1 74 CYS 2.400 0.097 3 0 "[ . 1 . 2]"
1 75 GLY 0.106 0.021 11 0 "[ . 1 . 2]"
1 76 VAL 4.294 0.151 12 0 "[ . 1 . 2]"
1 77 ASN 9.215 0.296 9 0 "[ . 1 . 2]"
1 78 ILE 1.732 0.176 18 0 "[ . 1 . 2]"
1 80 TYR 0.655 0.070 12 0 "[ . 1 . 2]"
1 82 ILE 3.682 0.216 18 0 "[ . 1 . 2]"
1 83 SER 0.686 0.130 19 0 "[ . 1 . 2]"
1 84 THR 5.542 0.270 11 0 "[ . 1 . 2]"
1 85 THR 0.812 0.130 19 0 "[ . 1 . 2]"
1 86 THR 6.483 0.182 10 0 "[ . 1 . 2]"
1 87 ASN 3.269 0.219 12 0 "[ . 1 . 2]"
1 88 CYS 2.661 0.202 9 0 "[ . 1 . 2]"
1 89 ASN 2.956 0.188 17 0 "[ . 1 . 2]"
1 90 THR 2.168 0.219 12 0 "[ . 1 . 2]"
1 91 VAL 10.062 0.290 8 0 "[ . 1 . 2]"
1 92 LYS 4.597 0.290 8 0 "[ . 1 . 2]"
1 93 PHE 1.383 0.118 18 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 93 PHE HA 1 93 PHE QD . . 3.790 3.077 2.329 3.724 . 0 0 "[ . 1 . 2]" 1
2 1 88 CYS HA 1 91 VAL MG2 . . 4.060 3.306 3.043 3.538 . 0 0 "[ . 1 . 2]" 1
3 1 91 VAL MG1 1 91 VAL MG2 . . 2.680 2.048 1.999 2.098 . 0 0 "[ . 1 . 2]" 1
4 1 91 VAL HA 1 91 VAL MG2 . . 3.250 3.177 3.159 3.196 . 0 0 "[ . 1 . 2]" 1
5 1 91 VAL HA 1 91 VAL MG1 . . 3.180 2.482 2.423 2.535 . 0 0 "[ . 1 . 2]" 1
6 1 80 TYR QD 1 86 THR MG . . 4.020 3.962 3.644 4.090 0.070 12 0 "[ . 1 . 2]" 1
7 1 86 THR HA 1 86 THR HB . . 2.990 3.023 3.020 3.025 0.035 13 0 "[ . 1 . 2]" 1
8 1 86 THR HA 1 86 THR MG . . 3.100 2.369 2.224 2.423 . 0 0 "[ . 1 . 2]" 1
9 1 85 THR HB 1 85 THR MG . . 2.470 2.109 2.090 2.134 . 0 0 "[ . 1 . 2]" 1
10 1 15 LEU HA 1 18 LEU HB2 . . 3.340 2.183 2.149 2.215 . 0 0 "[ . 1 . 2]" 1
11 1 15 LEU HA 1 18 LEU H . . 3.800 3.523 3.444 3.578 . 0 0 "[ . 1 . 2]" 1
12 1 15 LEU HA 1 19 THR H . . 4.770 4.154 4.051 4.526 . 0 0 "[ . 1 . 2]" 1
13 1 15 LEU HA 1 18 LEU MD1 . . 3.380 2.704 2.605 2.925 . 0 0 "[ . 1 . 2]" 1
14 1 15 LEU HA 1 18 LEU HB3 . . 3.650 3.697 3.676 3.734 0.084 8 0 "[ . 1 . 2]" 1
15 1 15 LEU HA 1 16 THR H . . 4.240 3.537 3.530 3.552 . 0 0 "[ . 1 . 2]" 1
16 1 63 ASN HB2 1 66 ASN H . . 4.200 3.217 2.507 3.355 . 0 0 "[ . 1 . 2]" 1
17 1 63 ASN HB2 1 67 ALA H . . 4.710 4.552 4.263 4.628 . 0 0 "[ . 1 . 2]" 1
18 1 63 ASN HB2 1 64 THR H . . 4.840 4.468 3.923 4.537 . 0 0 "[ . 1 . 2]" 1
19 1 20 GLY H 1 63 ASN HB2 . . 4.350 2.646 2.396 4.508 0.158 20 0 "[ . 1 . 2]" 1
20 1 63 ASN HB2 1 66 ASN HB2 . . 3.760 2.715 2.532 3.416 . 0 0 "[ . 1 . 2]" 1
21 1 63 ASN H 1 63 ASN HB2 . . 3.710 2.579 2.419 3.643 . 0 0 "[ . 1 . 2]" 1
22 1 73 LYS H 1 73 LYS HB3 . . 4.120 3.521 3.482 3.592 . 0 0 "[ . 1 . 2]" 1
23 1 73 LYS HB3 1 74 CYS H . . 3.930 3.800 3.698 4.013 0.083 18 0 "[ . 1 . 2]" 1
24 1 25 SER H 1 25 SER HB3 . . 3.290 2.759 2.205 3.016 . 0 0 "[ . 1 . 2]" 1
25 1 59 ILE HG12 1 59 ILE MG . . 3.030 2.365 2.355 2.420 . 0 0 "[ . 1 . 2]" 1
26 1 19 THR MG 1 59 ILE MG . . 2.680 2.610 2.426 2.709 0.029 7 0 "[ . 1 . 2]" 1
27 1 59 ILE MG 1 62 LEU H . . 3.230 2.460 1.988 2.553 . 0 0 "[ . 1 . 2]" 1
28 1 59 ILE H 1 59 ILE MG . . 3.700 3.859 3.856 3.862 0.162 8 0 "[ . 1 . 2]" 1
29 1 59 ILE MG 1 60 THR H . . 3.310 2.343 1.990 2.767 . 0 0 "[ . 1 . 2]" 1
30 1 59 ILE HG13 1 59 ILE MG . . 2.970 3.187 3.185 3.202 0.232 8 0 "[ . 1 . 2]" 1
31 1 59 ILE MG 1 61 LYS H . . 3.470 2.304 2.226 2.474 . 0 0 "[ . 1 . 2]" 1
32 1 59 ILE MG 1 62 LEU HA . . 3.360 2.757 2.571 3.220 . 0 0 "[ . 1 . 2]" 1
33 1 59 ILE HA 1 59 ILE MG . . 2.970 2.168 2.130 2.257 . 0 0 "[ . 1 . 2]" 1
34 1 59 ILE MG 1 62 LEU HB2 . . 3.390 2.191 2.001 2.553 . 0 0 "[ . 1 . 2]" 1
35 1 90 THR HA 1 91 VAL H . . 3.590 3.022 2.782 3.378 . 0 0 "[ . 1 . 2]" 1
36 1 34 LYS H 1 34 LYS HB2 . . 3.240 2.631 2.533 2.847 . 0 0 "[ . 1 . 2]" 1
37 1 28 CYS HB2 1 29 CYS H . . 3.770 3.957 3.945 3.964 0.194 16 0 "[ . 1 . 2]" 1
38 1 28 CYS H 1 28 CYS HB2 . . 3.260 2.998 2.977 3.015 . 0 0 "[ . 1 . 2]" 1
39 1 14 CYS H 1 28 CYS HB2 . . 4.840 3.633 3.561 3.713 . 0 0 "[ . 1 . 2]" 1
40 1 25 SER H 1 28 CYS HB2 . . 3.960 3.974 3.928 4.006 0.046 19 0 "[ . 1 . 2]" 1
41 1 70 LEU HB3 1 71 PRO HD2 . . 3.500 2.433 2.421 2.448 . 0 0 "[ . 1 . 2]" 1
42 1 71 PRO HB3 1 71 PRO HD2 . . 3.800 3.873 3.872 3.873 0.073 13 0 "[ . 1 . 2]" 1
43 1 70 LEU H 1 71 PRO HD2 . . 3.500 2.122 2.101 2.133 . 0 0 "[ . 1 . 2]" 1
44 1 24 PRO HD2 1 73 LYS HB2 . . 4.310 3.673 3.509 4.074 . 0 0 "[ . 1 . 2]" 1
45 1 8 THR MG 1 9 SER H . . 3.920 3.842 3.722 3.901 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLY QA 1 8 THR MG . . 4.050 4.041 3.827 4.070 0.020 3 0 "[ . 1 . 2]" 1
47 1 8 THR H 1 8 THR MG . . 3.150 2.378 2.264 2.483 . 0 0 "[ . 1 . 2]" 1
48 1 8 THR MG 1 55 ALA MB . . 2.910 2.385 2.135 2.675 . 0 0 "[ . 1 . 2]" 1
49 1 8 THR HA 1 8 THR MG . . 2.840 2.327 2.277 2.411 . 0 0 "[ . 1 . 2]" 1
50 1 2 ILE H 1 2 ILE MD . . 4.510 3.667 3.630 4.105 . 0 0 "[ . 1 . 2]" 1
51 1 2 ILE MD 1 48 ALA H . . 5.120 2.457 1.971 3.141 . 0 0 "[ . 1 . 2]" 1
52 1 2 ILE MD 1 39 ALA H . . 5.090 5.095 5.009 5.134 0.044 6 0 "[ . 1 . 2]" 1
53 1 2 ILE MD 1 39 ALA MB . . 5.060 3.615 3.401 3.738 . 0 0 "[ . 1 . 2]" 1
54 1 2 ILE MD 1 48 ALA HA . . 5.230 2.352 1.969 2.887 . 0 0 "[ . 1 . 2]" 1
55 1 2 ILE MD 1 6 ALA MB . . 5.260 4.391 3.531 4.746 . 0 0 "[ . 1 . 2]" 1
56 1 2 ILE MD 1 39 ALA HA . . 5.830 4.273 4.024 4.838 . 0 0 "[ . 1 . 2]" 1
57 1 2 ILE MD 1 35 LEU MD1 . . 5.940 3.271 2.831 3.545 . 0 0 "[ . 1 . 2]" 1
58 1 2 ILE HB 1 2 ILE MD . . 3.210 2.427 2.358 2.464 . 0 0 "[ . 1 . 2]" 1
59 1 2 ILE MD 1 44 ASP HB3 . . 5.960 3.560 3.320 3.846 . 0 0 "[ . 1 . 2]" 1
60 1 2 ILE MD 1 48 ALA MB . . 5.210 1.932 1.849 2.082 . 0 0 "[ . 1 . 2]" 1
61 1 26 PRO HB2 1 27 GLN H . . 3.620 3.356 3.328 3.376 . 0 0 "[ . 1 . 2]" 1
62 1 86 THR H 1 86 THR MG . . 3.700 3.763 3.749 3.783 0.083 16 0 "[ . 1 . 2]" 1
63 1 86 THR MG 1 88 CYS HA . . 3.920 3.529 3.334 3.830 . 0 0 "[ . 1 . 2]" 1
64 1 86 THR MG 1 87 ASN H . . 3.710 2.126 1.912 2.428 . 0 0 "[ . 1 . 2]" 1
65 1 61 LYS HA 1 62 LEU H . . 3.430 3.125 3.056 3.362 . 0 0 "[ . 1 . 2]" 1
66 1 32 VAL HA 1 35 LEU HB3 . . 4.040 2.757 2.693 2.838 . 0 0 "[ . 1 . 2]" 1
67 1 35 LEU H 1 35 LEU HB3 . . 3.100 2.298 2.265 2.360 . 0 0 "[ . 1 . 2]" 1
68 1 35 LEU HB3 1 36 LEU H . . 3.370 2.444 2.401 2.465 . 0 0 "[ . 1 . 2]" 1
69 1 32 VAL H 1 32 VAL MG2 . . 2.780 1.919 1.907 1.936 . 0 0 "[ . 1 . 2]" 1
70 1 32 VAL MG2 1 33 LYS H . . 3.970 3.781 3.713 3.808 . 0 0 "[ . 1 . 2]" 1
71 1 29 CYS HA 1 32 VAL MG2 . . 3.370 2.489 2.401 2.573 . 0 0 "[ . 1 . 2]" 1
72 1 31 GLY H 1 32 VAL MG2 . . 3.790 3.823 3.798 3.854 0.064 9 0 "[ . 1 . 2]" 1
73 1 32 VAL MG1 1 32 VAL MG2 . . 2.470 2.086 2.076 2.094 . 0 0 "[ . 1 . 2]" 1
74 1 32 VAL MG2 1 70 LEU HG . . 3.160 3.045 2.943 3.164 0.004 15 0 "[ . 1 . 2]" 1
75 1 9 SER H 1 9 SER HB3 . . 3.430 3.349 2.913 3.563 0.133 7 0 "[ . 1 . 2]" 1
76 1 9 SER HB3 1 10 ASP H . . 3.870 3.134 2.583 3.498 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 11 LEU HG . . 3.460 3.062 2.919 3.124 . 0 0 "[ . 1 . 2]" 1
78 1 58 SER H 1 59 ILE HG12 . . 4.870 4.423 4.405 4.447 . 0 0 "[ . 1 . 2]" 1
79 1 59 ILE H 1 59 ILE HG12 . . 3.720 3.348 3.273 3.408 . 0 0 "[ . 1 . 2]" 1
80 1 2 ILE MG 1 47 ALA H . . 5.410 5.422 5.328 5.492 0.082 15 0 "[ . 1 . 2]" 1
81 1 2 ILE H 1 2 ILE MG . . 3.350 2.417 2.231 3.351 0.001 1 0 "[ . 1 . 2]" 1
82 1 2 ILE MG 1 48 ALA H . . 5.570 4.459 4.253 4.644 . 0 0 "[ . 1 . 2]" 1
83 1 2 ILE MG 1 48 ALA HA . . 5.690 5.256 4.960 5.707 0.017 15 0 "[ . 1 . 2]" 1
84 1 2 ILE MG 1 3 SER H . . 5.120 3.633 3.413 3.724 . 0 0 "[ . 1 . 2]" 1
85 1 2 ILE MG 1 44 ASP HB3 . . 5.700 2.805 2.538 3.147 . 0 0 "[ . 1 . 2]" 1
86 1 19 THR H 1 19 THR HB . . 4.190 3.679 3.653 3.761 . 0 0 "[ . 1 . 2]" 1
87 1 25 SER HB3 1 26 PRO QD . . 3.370 2.832 2.594 3.366 . 0 0 "[ . 1 . 2]" 1
88 1 25 SER HB2 1 26 PRO QD . . 3.160 1.880 1.801 1.921 . 0 0 "[ . 1 . 2]" 1
89 1 25 SER HA 1 26 PRO QD . . 2.840 2.187 2.177 2.194 . 0 0 "[ . 1 . 2]" 1
90 1 26 PRO QD 1 27 GLN H . . 3.650 2.603 2.603 2.604 . 0 0 "[ . 1 . 2]" 1
91 1 36 LEU H 1 36 LEU HB3 . . 3.480 3.568 3.553 3.576 0.096 6 0 "[ . 1 . 2]" 1
92 1 36 LEU HB3 1 76 VAL QG . . 3.440 3.289 2.920 3.447 0.007 16 0 "[ . 1 . 2]" 1
93 1 76 VAL HA 1 76 VAL QG . . 3.110 2.068 2.008 2.276 . 0 0 "[ . 1 . 2]" 1
94 1 33 LYS QE 1 76 VAL QG . . 3.460 3.459 3.297 3.523 0.063 20 0 "[ . 1 . 2]" 1
95 1 74 CYS HB2 1 76 VAL QG . . 3.490 2.420 2.085 2.757 . 0 0 "[ . 1 . 2]" 1
96 1 33 LYS HG3 1 76 VAL QG . . 3.660 3.223 2.846 3.400 . 0 0 "[ . 1 . 2]" 1
97 1 76 VAL MG2 1 77 ASN H . . 3.850 3.785 1.933 4.001 0.151 12 0 "[ . 1 . 2]" 1
98 1 33 LYS HA 1 76 VAL QG . . 3.760 3.266 2.849 3.539 . 0 0 "[ . 1 . 2]" 1
99 1 74 CYS HB3 1 76 VAL QG . . 3.530 2.909 2.601 3.047 . 0 0 "[ . 1 . 2]" 1
100 1 76 VAL H 1 76 VAL QG . . 3.030 2.506 1.948 2.746 . 0 0 "[ . 1 . 2]" 1
101 1 2 ILE H 1 2 ILE HG13 . . 4.050 3.283 2.919 3.442 . 0 0 "[ . 1 . 2]" 1
102 1 2 ILE HG13 1 3 SER H . . 4.220 2.986 2.778 3.463 . 0 0 "[ . 1 . 2]" 1
103 1 42 THR MG 1 92 LYS HB2 . . 3.740 3.584 2.393 3.928 0.188 6 0 "[ . 1 . 2]" 1
104 1 42 THR MG 1 92 LYS HA . . 3.510 2.355 1.920 2.732 . 0 0 "[ . 1 . 2]" 1
105 1 42 THR MG 1 46 GLN HE22 . . 3.860 2.833 2.262 3.867 0.007 15 0 "[ . 1 . 2]" 1
106 1 42 THR MG 1 43 PRO HD3 . . 3.480 2.371 2.020 2.655 . 0 0 "[ . 1 . 2]" 1
107 1 42 THR MG 1 46 GLN HE21 . . 3.550 3.043 2.420 3.605 0.055 19 0 "[ . 1 . 2]" 1
108 1 42 THR HA 1 42 THR MG . . 3.110 2.575 2.485 2.660 . 0 0 "[ . 1 . 2]" 1
109 1 42 THR MG 1 93 PHE HB3 . . 4.060 4.112 4.066 4.178 0.118 18 0 "[ . 1 . 2]" 1
110 1 42 THR MG 1 46 GLN QG . . 3.540 2.919 2.746 3.276 . 0 0 "[ . 1 . 2]" 1
111 1 42 THR MG 1 43 PRO HA . . 3.800 3.081 2.941 3.258 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU H 1 11 LEU HB2 . . 3.190 2.370 2.329 2.396 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HB2 1 12 SER H . . 4.000 3.891 3.836 3.927 . 0 0 "[ . 1 . 2]" 1
114 1 92 LYS H 1 92 LYS HB2 . . 3.860 3.531 2.732 3.939 0.079 10 0 "[ . 1 . 2]" 1
115 1 51 CYS HB3 1 52 LEU H . . 4.350 3.159 2.867 3.379 . 0 0 "[ . 1 . 2]" 1
116 1 48 ALA HA 1 51 CYS HB3 . . 4.200 4.159 3.958 4.281 0.081 6 0 "[ . 1 . 2]" 1
117 1 17 TYR QE 1 70 LEU HA . . 3.660 2.257 2.130 2.593 . 0 0 "[ . 1 . 2]" 1
118 1 70 LEU HA 1 73 LYS HB2 . . 3.580 3.545 3.413 3.610 0.030 12 0 "[ . 1 . 2]" 1
119 1 70 LEU HA 1 72 GLY H . . 4.280 4.351 4.326 4.394 0.114 20 0 "[ . 1 . 2]" 1
120 1 70 LEU HA 1 70 LEU HG . . 3.710 3.508 3.484 3.541 . 0 0 "[ . 1 . 2]" 1
121 1 21 GLY HA3 1 22 PRO HD3 . . 3.100 3.178 3.162 3.209 0.109 20 0 "[ . 1 . 2]" 1
122 1 20 GLY HA2 1 66 ASN HD22 . . 4.130 2.422 1.988 3.795 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLY HA2 1 66 ASN HD21 . . 4.270 2.898 2.270 4.126 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLY HA2 1 63 ASN HD21 . . 4.020 2.839 2.190 3.434 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLY HA2 1 63 ASN HB3 . . 4.300 3.563 3.481 3.749 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLY HA2 1 21 GLY H . . 4.060 3.342 3.284 3.396 . 0 0 "[ . 1 . 2]" 1
127 1 89 ASN H 1 91 VAL MG1 . . 5.360 3.809 3.626 4.150 . 0 0 "[ . 1 . 2]" 1
128 1 86 THR MG 1 91 VAL MG1 . . 3.340 3.423 3.264 3.522 0.182 10 0 "[ . 1 . 2]" 1
129 1 46 GLN HA 1 91 VAL MG1 . . 3.920 4.023 3.898 4.113 0.193 12 0 "[ . 1 . 2]" 1
130 1 88 CYS HA 1 91 VAL MG1 . . 3.180 1.871 1.847 1.895 . 0 0 "[ . 1 . 2]" 1
131 1 91 VAL H 1 91 VAL MG1 . . 3.230 2.246 1.913 2.530 . 0 0 "[ . 1 . 2]" 1
132 1 90 THR H 1 91 VAL MG1 . . 3.990 3.013 2.797 3.341 . 0 0 "[ . 1 . 2]" 1
133 1 46 GLN QG 1 91 VAL MG1 . . 3.470 3.496 3.290 3.561 0.091 9 0 "[ . 1 . 2]" 1
134 1 91 VAL MG1 1 92 LYS H . . 3.860 3.940 3.711 4.150 0.290 8 0 "[ . 1 . 2]" 1
135 1 76 VAL HA 1 77 ASN H . . 2.870 2.289 2.205 2.414 . 0 0 "[ . 1 . 2]" 1
136 1 13 PRO HG3 1 14 CYS H . . 4.320 4.285 4.231 4.372 0.052 2 0 "[ . 1 . 2]" 1
137 1 13 PRO HG3 1 31 GLY H . . 4.550 4.609 4.458 4.756 0.206 11 0 "[ . 1 . 2]" 1
138 1 36 LEU HB3 1 36 LEU MD1 . . 3.080 2.482 2.428 2.530 . 0 0 "[ . 1 . 2]" 1
139 1 33 LYS HA 1 36 LEU MD1 . . 3.270 3.208 3.117 3.286 0.016 19 0 "[ . 1 . 2]" 1
140 1 36 LEU HB2 1 36 LEU MD1 . . 3.090 2.208 2.138 2.285 . 0 0 "[ . 1 . 2]" 1
141 1 46 GLN HB3 1 47 ALA H . . 3.630 3.402 3.140 3.567 . 0 0 "[ . 1 . 2]" 1
142 1 46 GLN H 1 46 GLN HB3 . . 3.630 3.589 3.587 3.590 . 0 0 "[ . 1 . 2]" 1
143 1 59 ILE HB 1 62 LEU MD1 . . 3.260 3.295 3.262 3.361 0.101 4 0 "[ . 1 . 2]" 1
144 1 62 LEU MD1 1 64 THR HA . . 3.950 3.963 3.886 4.008 0.058 19 0 "[ . 1 . 2]" 1
145 1 62 LEU H 1 62 LEU MD1 . . 4.100 4.150 4.112 4.190 0.090 7 0 "[ . 1 . 2]" 1
146 1 62 LEU MD1 1 63 ASN H . . 3.470 2.710 1.922 3.051 . 0 0 "[ . 1 . 2]" 1
147 1 62 LEU HB3 1 62 LEU MD1 . . 2.940 3.159 3.126 3.195 0.255 19 0 "[ . 1 . 2]" 1
148 1 62 LEU HA 1 62 LEU MD1 . . 2.860 2.432 2.141 2.632 . 0 0 "[ . 1 . 2]" 1
149 1 62 LEU HB2 1 62 LEU MD1 . . 3.180 2.134 2.033 2.335 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL HB 1 51 CYS HB3 . . 5.230 2.836 2.609 3.635 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL H 1 7 VAL HB . . 3.840 2.570 2.537 2.601 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL HB 1 8 THR H . . 3.840 2.356 2.250 2.479 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU H 1 18 LEU HB2 . . 3.230 2.365 2.329 2.391 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU HB2 1 19 THR H . . 4.110 3.109 2.987 3.507 . 0 0 "[ . 1 . 2]" 1
155 1 72 GLY QA 1 73 LYS H . . 3.160 2.647 2.575 2.733 . 0 0 "[ . 1 . 2]" 1
156 1 13 PRO HA 1 14 CYS H . . 4.290 3.419 3.391 3.437 . 0 0 "[ . 1 . 2]" 1
157 1 16 THR HA 1 17 TYR H . . 4.140 3.571 3.570 3.572 . 0 0 "[ . 1 . 2]" 1
158 1 16 THR HA 1 19 THR H . . 4.070 3.636 3.564 3.742 . 0 0 "[ . 1 . 2]" 1
159 1 16 THR HA 1 21 GLY H . . 4.720 4.230 4.180 4.297 . 0 0 "[ . 1 . 2]" 1
160 1 66 ASN H 1 66 ASN HB2 . . 3.320 2.429 2.327 2.584 . 0 0 "[ . 1 . 2]" 1
161 1 66 ASN HB2 1 67 ALA H . . 3.290 3.094 3.029 3.183 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU HA 1 66 ASN HB2 . . 4.140 2.294 2.034 2.775 . 0 0 "[ . 1 . 2]" 1
163 1 49 CYS H 1 49 CYS HB3 . . 3.180 2.590 2.497 2.795 . 0 0 "[ . 1 . 2]" 1
164 1 7 VAL MG1 1 8 THR HA . . 3.640 3.587 3.442 3.643 0.003 20 0 "[ . 1 . 2]" 1
165 1 49 CYS HB3 1 50 ASN H . . 3.730 2.147 1.974 2.282 . 0 0 "[ . 1 . 2]" 1
166 1 85 THR HB 1 86 THR H . . 4.300 4.211 3.984 4.342 0.042 16 0 "[ . 1 . 2]" 1
167 1 85 THR H 1 85 THR HB . . 3.860 3.389 2.576 3.699 . 0 0 "[ . 1 . 2]" 1
168 1 59 ILE HB 1 62 LEU H . . 4.460 3.376 3.043 3.490 . 0 0 "[ . 1 . 2]" 1
169 1 59 ILE H 1 59 ILE HB . . 3.160 2.764 2.731 2.799 . 0 0 "[ . 1 . 2]" 1
170 1 59 ILE HB 1 62 LEU HB3 . . 3.670 3.098 2.765 3.266 . 0 0 "[ . 1 . 2]" 1
171 1 43 PRO HG3 1 44 ASP H . . 4.890 4.322 4.111 4.397 . 0 0 "[ . 1 . 2]" 1
172 1 17 TYR H 1 17 TYR HB3 . . 3.230 2.378 2.345 2.429 . 0 0 "[ . 1 . 2]" 1
173 1 17 TYR HB3 1 18 LEU H . . 3.610 2.856 2.824 2.888 . 0 0 "[ . 1 . 2]" 1
174 1 56 ALA HA 1 59 ILE HG12 . . 3.860 3.703 3.648 3.820 . 0 0 "[ . 1 . 2]" 1
175 1 56 ALA HA 1 57 GLY H . . 4.100 3.485 3.447 3.513 . 0 0 "[ . 1 . 2]" 1
176 1 56 ALA HA 1 58 SER H . . 4.300 3.812 3.745 3.893 . 0 0 "[ . 1 . 2]" 1
177 1 56 ALA HA 1 59 ILE H . . 4.090 3.582 3.459 3.774 . 0 0 "[ . 1 . 2]" 1
178 1 41 THR H 1 41 THR MG . . 3.860 3.398 3.333 3.481 . 0 0 "[ . 1 . 2]" 1
179 1 41 THR HA 1 41 THR MG . . 3.230 2.024 1.962 2.053 . 0 0 "[ . 1 . 2]" 1
180 1 41 THR MG 1 43 PRO HD2 . . 4.040 3.083 2.950 3.661 . 0 0 "[ . 1 . 2]" 1
181 1 1 ALA MB 1 2 ILE H . . 3.620 3.077 2.111 3.676 0.056 18 0 "[ . 1 . 2]" 1
182 1 87 ASN HD22 1 90 THR MG . . 3.720 3.232 2.390 3.777 0.057 14 0 "[ . 1 . 2]" 1
183 1 85 THR MG 1 86 THR H . . 4.080 3.582 2.059 4.111 0.031 7 0 "[ . 1 . 2]" 1
184 1 85 THR H 1 85 THR MG . . 3.220 2.302 1.993 2.605 . 0 0 "[ . 1 . 2]" 1
185 1 12 SER HA 1 14 CYS H . . 4.030 3.998 3.915 4.047 0.017 20 0 "[ . 1 . 2]" 1
186 1 12 SER H 1 12 SER HA . . 3.100 2.776 2.772 2.779 . 0 0 "[ . 1 . 2]" 1
187 1 12 SER HA 1 15 LEU H . . 3.960 3.687 3.658 3.702 . 0 0 "[ . 1 . 2]" 1
188 1 12 SER HA 1 15 LEU HB2 . . 4.140 3.175 3.135 3.213 . 0 0 "[ . 1 . 2]" 1
189 1 53 LYS HD3 1 84 THR HA . . 3.970 4.062 3.976 4.240 0.270 11 0 "[ . 1 . 2]" 1
190 1 84 THR HA 1 84 THR MG . . 2.850 2.251 2.088 2.317 . 0 0 "[ . 1 . 2]" 1
191 1 84 THR HA 1 85 THR H . . 3.920 3.389 3.331 3.427 . 0 0 "[ . 1 . 2]" 1
192 1 53 LYS QE 1 84 THR HA . . 3.360 2.185 1.869 3.118 . 0 0 "[ . 1 . 2]" 1
193 1 84 THR HA 1 84 THR HB . . 2.840 2.517 2.456 2.671 . 0 0 "[ . 1 . 2]" 1
194 1 16 THR MG 1 21 GLY HA3 . . 3.590 2.045 2.002 2.097 . 0 0 "[ . 1 . 2]" 1
195 1 16 THR HA 1 16 THR MG . . 3.000 2.379 2.375 2.386 . 0 0 "[ . 1 . 2]" 1
196 1 16 THR MG 1 17 TYR H . . 3.940 3.002 2.951 3.075 . 0 0 "[ . 1 . 2]" 1
197 1 16 THR MG 1 22 PRO HD2 . . 3.400 2.249 2.201 2.333 . 0 0 "[ . 1 . 2]" 1
198 1 16 THR MG 1 21 GLY HA2 . . 3.320 3.451 3.393 3.488 0.168 2 0 "[ . 1 . 2]" 1
199 1 16 THR MG 1 21 GLY H . . 3.990 3.584 3.550 3.654 . 0 0 "[ . 1 . 2]" 1
200 1 63 ASN HA 1 64 THR H . . 2.910 2.241 2.207 2.267 . 0 0 "[ . 1 . 2]" 1
201 1 65 ASN HA 1 66 ASN H . . 4.080 3.544 3.533 3.569 . 0 0 "[ . 1 . 2]" 1
202 1 65 ASN HA 1 68 ALA H . . 4.100 3.684 3.649 3.751 . 0 0 "[ . 1 . 2]" 1
203 1 65 ASN HA 1 68 ALA MB . . 3.270 3.234 3.091 3.306 0.036 12 0 "[ . 1 . 2]" 1
204 1 65 ASN HA 1 69 ALA H . . 4.970 4.447 4.415 4.516 . 0 0 "[ . 1 . 2]" 1
205 1 43 PRO HB3 1 44 ASP H . . 4.400 4.379 4.275 4.413 0.013 11 0 "[ . 1 . 2]" 1
206 1 83 SER HA 1 84 THR H . . 3.530 2.144 2.137 2.163 . 0 0 "[ . 1 . 2]" 1
207 1 12 SER HA 1 15 LEU MD2 . . 3.990 3.705 3.535 3.806 . 0 0 "[ . 1 . 2]" 1
208 1 15 LEU HB3 1 15 LEU MD2 . . 2.990 2.335 2.273 2.437 . 0 0 "[ . 1 . 2]" 1
209 1 15 LEU HB2 1 15 LEU MD2 . . 2.950 2.317 2.233 2.402 . 0 0 "[ . 1 . 2]" 1
210 1 8 THR HB 1 15 LEU MD2 . . 5.540 5.391 4.872 5.567 0.027 20 0 "[ . 1 . 2]" 1
211 1 15 LEU MD2 1 16 THR H . . 4.530 4.520 4.389 4.564 0.034 3 0 "[ . 1 . 2]" 1
212 1 62 LEU H 1 62 LEU MD2 . . 4.330 4.165 4.136 4.201 . 0 0 "[ . 1 . 2]" 1
213 1 62 LEU HB3 1 62 LEU MD2 . . 3.250 2.171 2.060 2.281 . 0 0 "[ . 1 . 2]" 1
214 1 62 LEU MD2 1 64 THR MG . . 2.890 2.569 2.383 2.798 . 0 0 "[ . 1 . 2]" 1
215 1 62 LEU HB2 1 62 LEU MD2 . . 3.260 2.523 2.424 2.607 . 0 0 "[ . 1 . 2]" 1
216 1 53 LYS QB 1 54 SER H . . 3.420 2.541 2.365 2.732 . 0 0 "[ . 1 . 2]" 1
217 1 53 LYS H 1 53 LYS QB . . 3.520 2.387 2.050 2.630 . 0 0 "[ . 1 . 2]" 1
218 1 87 ASN HB3 1 87 ASN HD22 . . 4.010 3.558 3.447 3.818 . 0 0 "[ . 1 . 2]" 1
219 1 87 ASN HB3 1 87 ASN HD21 . . 3.510 2.419 2.147 3.002 . 0 0 "[ . 1 . 2]" 1
220 1 87 ASN H 1 87 ASN HB3 . . 3.850 2.771 2.520 2.899 . 0 0 "[ . 1 . 2]" 1
221 1 64 THR H 1 64 THR HB . . 3.770 3.610 3.605 3.617 . 0 0 "[ . 1 . 2]" 1
222 1 69 ALA MB 1 73 LYS HE3 . . 3.060 2.721 1.954 3.082 0.022 7 0 "[ . 1 . 2]" 1
223 1 46 GLN HA 1 47 ALA H . . 3.890 3.564 3.557 3.570 . 0 0 "[ . 1 . 2]" 1
224 1 46 GLN HA 1 49 CYS HB3 . . 3.460 3.263 2.982 3.459 . 0 0 "[ . 1 . 2]" 1
225 1 46 GLN HA 1 50 ASN H . . 3.850 3.841 3.602 3.969 0.119 14 0 "[ . 1 . 2]" 1
226 1 46 GLN HA 1 46 GLN QG . . 3.020 2.471 2.281 2.529 . 0 0 "[ . 1 . 2]" 1
227 1 46 GLN HA 1 88 CYS HB2 . . 4.060 3.513 3.003 3.826 . 0 0 "[ . 1 . 2]" 1
228 1 22 PRO HB3 1 23 GLY H . . 3.560 3.709 3.684 3.740 0.180 2 0 "[ . 1 . 2]" 1
229 1 39 ALA MB 1 40 ASN H . . 3.830 3.694 3.654 3.709 . 0 0 "[ . 1 . 2]" 1
230 1 39 ALA H 1 39 ALA MB . . 2.870 2.252 2.175 2.289 . 0 0 "[ . 1 . 2]" 1
231 1 39 ALA MB 1 44 ASP HB2 . . 3.770 3.922 3.658 4.009 0.239 17 0 "[ . 1 . 2]" 1
232 1 39 ALA MB 1 44 ASP H . . 5.180 4.959 4.661 5.051 . 0 0 "[ . 1 . 2]" 1
233 1 36 LEU MD2 1 39 ALA MB . . 3.150 3.294 3.189 3.350 0.200 19 0 "[ . 1 . 2]" 1
234 1 39 ALA MB 1 45 ARG HA . . 3.300 2.131 1.954 2.376 . 0 0 "[ . 1 . 2]" 1
235 1 39 ALA MB 1 45 ARG HG2 . . 3.660 1.955 1.910 1.967 . 0 0 "[ . 1 . 2]" 1
236 1 39 ALA MB 1 45 ARG H . . 4.300 3.438 3.175 3.541 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU HA 1 39 ALA MB . . 3.310 2.822 2.709 2.927 . 0 0 "[ . 1 . 2]" 1
238 1 39 ALA MB 1 44 ASP HB3 . . 3.510 3.051 2.724 3.220 . 0 0 "[ . 1 . 2]" 1
239 1 39 ALA MB 1 40 ASN HA . . 4.540 4.230 4.132 4.253 . 0 0 "[ . 1 . 2]" 1
240 1 39 ALA MB 1 48 ALA MB . . 3.030 2.784 2.606 3.050 0.020 11 0 "[ . 1 . 2]" 1
241 1 39 ALA MB 1 45 ARG HB3 . . 3.140 3.268 3.151 3.385 0.245 19 0 "[ . 1 . 2]" 1
242 1 24 PRO HB2 1 29 CYS H . . 4.230 3.972 3.913 4.004 . 0 0 "[ . 1 . 2]" 1
243 1 24 PRO HB2 1 28 CYS H . . 5.500 5.425 5.401 5.464 . 0 0 "[ . 1 . 2]" 1
244 1 24 PRO HB2 1 28 CYS HB3 . . 3.750 3.882 3.859 3.927 0.177 20 0 "[ . 1 . 2]" 1
245 1 24 PRO HB2 1 25 SER H . . 4.180 3.545 3.441 3.690 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU H 1 15 LEU HB3 . . 3.170 2.894 2.869 2.919 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU HB3 1 16 THR H . . 3.510 2.568 2.438 2.627 . 0 0 "[ . 1 . 2]" 1
248 1 83 SER HB2 1 85 THR H . . 4.260 3.993 2.808 4.335 0.075 16 0 "[ . 1 . 2]" 1
249 1 51 CYS HB2 1 52 LEU H . . 3.910 2.690 2.501 2.960 . 0 0 "[ . 1 . 2]" 1
250 1 33 LYS H 1 33 LYS HG2 . . 3.750 3.738 3.583 3.800 0.050 3 0 "[ . 1 . 2]" 1
251 1 27 GLN HB3 1 28 CYS H . . 3.880 3.948 3.934 3.970 0.090 20 0 "[ . 1 . 2]" 1
252 1 27 GLN H 1 27 GLN HB3 . . 3.700 3.611 3.609 3.612 . 0 0 "[ . 1 . 2]" 1
253 1 71 PRO HA 1 74 CYS HB2 . . 3.710 2.670 2.489 2.802 . 0 0 "[ . 1 . 2]" 1
254 1 71 PRO HA 1 74 CYS H . . 3.840 3.631 3.507 3.747 . 0 0 "[ . 1 . 2]" 1
255 1 71 PRO HA 1 71 PRO HB3 . . 2.930 2.298 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
256 1 32 VAL MG1 1 71 PRO HA . . 3.500 2.323 2.070 2.482 . 0 0 "[ . 1 . 2]" 1
257 1 71 PRO HA 1 71 PRO QG . . 3.510 3.503 3.502 3.503 . 0 0 "[ . 1 . 2]" 1
258 1 70 LEU HG 1 71 PRO HA . . 4.030 3.073 3.052 3.090 . 0 0 "[ . 1 . 2]" 1
259 1 3 SER HB2 1 4 CYS H . . 4.640 4.281 3.770 4.506 . 0 0 "[ . 1 . 2]" 1
260 1 3 SER HB2 1 6 ALA H . . 4.230 2.938 2.487 3.423 . 0 0 "[ . 1 . 2]" 1
261 1 3 SER H 1 3 SER HB2 . . 3.920 2.634 2.295 3.491 . 0 0 "[ . 1 . 2]" 1
262 1 22 PRO HA 1 23 GLY H . . 3.140 2.247 2.232 2.260 . 0 0 "[ . 1 . 2]" 1
263 1 40 ASN H 1 44 ASP HB2 . . 4.360 3.626 3.425 3.752 . 0 0 "[ . 1 . 2]" 1
264 1 41 THR H 1 44 ASP HB2 . . 4.260 2.387 2.158 3.293 . 0 0 "[ . 1 . 2]" 1
265 1 44 ASP H 1 44 ASP HB2 . . 3.650 2.208 2.180 2.237 . 0 0 "[ . 1 . 2]" 1
266 1 39 ALA HA 1 44 ASP HB2 . . 3.640 3.027 2.518 3.170 . 0 0 "[ . 1 . 2]" 1
267 1 44 ASP HB2 1 45 ARG H . . 3.870 2.915 2.873 3.014 . 0 0 "[ . 1 . 2]" 1
268 1 61 LYS H 1 61 LYS HB2 . . 4.060 2.342 2.226 2.513 . 0 0 "[ . 1 . 2]" 1
269 1 30 GLY HA2 1 33 LYS QE . . 4.280 3.948 3.767 4.323 0.043 17 0 "[ . 1 . 2]" 1
270 1 14 CYS HB3 1 18 LEU H . . 4.530 4.283 4.233 4.393 . 0 0 "[ . 1 . 2]" 1
271 1 14 CYS HB3 1 18 LEU HG . . 4.180 2.499 2.411 2.675 . 0 0 "[ . 1 . 2]" 1
272 1 14 CYS HB3 1 15 LEU H . . 4.290 3.910 3.855 3.958 . 0 0 "[ . 1 . 2]" 1
273 1 11 LEU MD2 1 14 CYS HB3 . . 3.960 2.739 2.667 2.849 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLY HA3 1 25 SER H . . 4.000 2.588 2.475 2.702 . 0 0 "[ . 1 . 2]" 1
275 1 66 ASN HA 1 67 ALA H . . 3.870 3.434 3.409 3.447 . 0 0 "[ . 1 . 2]" 1
276 1 66 ASN HA 1 68 ALA H . . 4.340 4.245 4.200 4.321 . 0 0 "[ . 1 . 2]" 1
277 1 66 ASN HA 1 69 ALA H . . 4.060 3.423 3.378 3.454 . 0 0 "[ . 1 . 2]" 1
278 1 70 LEU H 1 70 LEU HB2 . . 3.070 2.881 2.871 2.895 . 0 0 "[ . 1 . 2]" 1
279 1 84 THR MG 1 85 THR H . . 4.310 4.165 4.052 4.362 0.052 3 0 "[ . 1 . 2]" 1
280 1 84 THR H 1 84 THR MG . . 3.460 2.483 2.286 2.825 . 0 0 "[ . 1 . 2]" 1
281 1 45 ARG H 1 45 ARG HB2 . . 3.360 2.609 2.459 2.740 . 0 0 "[ . 1 . 2]" 1
282 1 77 ASN H 1 77 ASN HB2 . . 3.630 2.565 2.299 2.759 . 0 0 "[ . 1 . 2]" 1
283 1 77 ASN HB2 1 78 ILE H . . 4.280 4.278 3.632 4.456 0.176 18 0 "[ . 1 . 2]" 1
284 1 23 GLY HA2 1 25 SER H . . 3.850 2.995 2.678 3.173 . 0 0 "[ . 1 . 2]" 1
285 1 32 VAL HA 1 32 VAL MG2 . . 2.900 2.429 2.390 2.450 . 0 0 "[ . 1 . 2]" 1
286 1 32 VAL HA 1 33 LYS H . . 3.810 3.550 3.545 3.565 . 0 0 "[ . 1 . 2]" 1
287 1 32 VAL HA 1 35 LEU HB2 . . 3.930 3.929 3.833 3.964 0.034 5 0 "[ . 1 . 2]" 1
288 1 32 VAL HA 1 35 LEU MD2 . . 4.040 3.434 3.275 3.586 . 0 0 "[ . 1 . 2]" 1
289 1 32 VAL HA 1 35 LEU H . . 3.900 3.577 3.503 3.624 . 0 0 "[ . 1 . 2]" 1
290 1 32 VAL HA 1 36 LEU H . . 4.040 3.997 3.827 4.066 0.026 20 0 "[ . 1 . 2]" 1
291 1 32 VAL HA 1 32 VAL MG1 . . 2.920 2.406 2.401 2.412 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU H 1 18 LEU HG . . 3.180 2.540 2.476 2.659 . 0 0 "[ . 1 . 2]" 1
293 1 10 ASP HB3 1 11 LEU H . . 4.170 3.818 3.679 4.001 . 0 0 "[ . 1 . 2]" 1
294 1 10 ASP HB3 1 35 LEU HB2 . . 4.120 2.472 2.305 2.703 . 0 0 "[ . 1 . 2]" 1
295 1 10 ASP HB3 1 35 LEU H . . 4.590 3.839 3.762 3.965 . 0 0 "[ . 1 . 2]" 1
296 1 10 ASP H 1 10 ASP HB3 . . 3.600 3.559 3.528 3.589 . 0 0 "[ . 1 . 2]" 1
297 1 46 GLN HE21 1 89 ASN HA . . 4.020 3.802 2.678 4.138 0.118 12 0 "[ . 1 . 2]" 1
298 1 89 ASN HA 1 90 THR H . . 3.630 3.417 3.365 3.489 . 0 0 "[ . 1 . 2]" 1
299 1 35 LEU H 1 35 LEU HB2 . . 3.210 2.742 2.672 2.782 . 0 0 "[ . 1 . 2]" 1
300 1 34 LYS HG3 1 35 LEU H . . 4.390 4.381 4.321 4.629 0.239 11 0 "[ . 1 . 2]" 1
301 1 35 LEU HB3 1 35 LEU MD2 . . 3.280 2.398 2.324 2.466 . 0 0 "[ . 1 . 2]" 1
302 1 11 LEU HG 1 35 LEU MD2 . . 3.830 2.565 2.466 2.663 . 0 0 "[ . 1 . 2]" 1
303 1 35 LEU HB2 1 35 LEU MD2 . . 3.400 2.285 2.197 2.375 . 0 0 "[ . 1 . 2]" 1
304 1 35 LEU H 1 35 LEU MD2 . . 4.170 4.226 4.210 4.249 0.079 7 0 "[ . 1 . 2]" 1
305 1 35 LEU MD2 1 36 LEU H . . 4.340 4.065 3.976 4.147 . 0 0 "[ . 1 . 2]" 1
306 1 67 ALA HA 1 68 ALA H . . 4.180 3.521 3.513 3.533 . 0 0 "[ . 1 . 2]" 1
307 1 67 ALA HA 1 70 LEU HB2 . . 3.970 2.925 2.837 3.066 . 0 0 "[ . 1 . 2]" 1
308 1 67 ALA HA 1 70 LEU HB3 . . 4.180 2.628 2.561 2.699 . 0 0 "[ . 1 . 2]" 1
309 1 67 ALA HA 1 70 LEU H . . 4.040 3.516 3.495 3.551 . 0 0 "[ . 1 . 2]" 1
310 1 67 ALA HA 1 70 LEU MD2 . . 3.910 2.767 2.659 2.856 . 0 0 "[ . 1 . 2]" 1
311 1 68 ALA H 1 82 ILE MG . . 4.370 3.265 3.035 3.514 . 0 0 "[ . 1 . 2]" 1
312 1 82 ILE HA 1 82 ILE MG . . 2.930 2.512 2.374 2.673 . 0 0 "[ . 1 . 2]" 1
313 1 68 ALA MB 1 82 ILE MG . . 3.240 2.079 1.918 2.562 . 0 0 "[ . 1 . 2]" 1
314 1 82 ILE QG 1 82 ILE MG . . 2.910 2.326 2.279 2.371 . 0 0 "[ . 1 . 2]" 1
315 1 68 ALA HA 1 82 ILE MG . . 3.210 2.001 1.952 2.109 . 0 0 "[ . 1 . 2]" 1
316 1 70 LEU H 1 82 ILE MG . . 5.480 5.216 4.855 5.401 . 0 0 "[ . 1 . 2]" 1
317 1 89 ASN H 1 90 THR MG . . 4.280 3.749 3.428 4.172 . 0 0 "[ . 1 . 2]" 1
318 1 90 THR H 1 90 THR MG . . 3.210 2.380 1.892 2.945 . 0 0 "[ . 1 . 2]" 1
319 1 47 ALA HA 1 48 ALA H . . 3.920 3.562 3.547 3.572 . 0 0 "[ . 1 . 2]" 1
320 1 47 ALA HA 1 50 ASN HD22 . . 4.270 4.279 4.090 4.330 0.060 7 0 "[ . 1 . 2]" 1
321 1 47 ALA HA 1 50 ASN HD21 . . 3.800 2.853 2.693 2.965 . 0 0 "[ . 1 . 2]" 1
322 1 47 ALA HA 1 50 ASN H . . 4.260 3.849 3.695 4.065 . 0 0 "[ . 1 . 2]" 1
323 1 47 ALA HA 1 50 ASN HB2 . . 3.530 2.746 2.488 3.116 . 0 0 "[ . 1 . 2]" 1
324 1 52 LEU HA 1 56 ALA H . . 4.200 4.238 4.213 4.268 0.068 14 0 "[ . 1 . 2]" 1
325 1 52 LEU HA 1 53 LYS H . . 4.370 3.513 3.430 3.567 . 0 0 "[ . 1 . 2]" 1
326 1 52 LEU HA 1 52 LEU HG . . 3.720 3.091 2.614 3.285 . 0 0 "[ . 1 . 2]" 1
327 1 25 SER HB2 1 28 CYS H . . 4.060 3.302 2.955 4.045 . 0 0 "[ . 1 . 2]" 1
328 1 11 LEU HA 1 13 PRO HD2 . . 3.700 3.280 3.261 3.302 . 0 0 "[ . 1 . 2]" 1
329 1 25 SER H 1 25 SER HB2 . . 3.830 3.498 3.485 3.525 . 0 0 "[ . 1 . 2]" 1
330 1 25 SER HB2 1 27 GLN H . . 3.810 2.691 2.404 3.332 . 0 0 "[ . 1 . 2]" 1
331 1 52 LEU HA 1 55 ALA MB . . 3.070 2.581 2.391 2.865 . 0 0 "[ . 1 . 2]" 1
332 1 52 LEU MD2 1 55 ALA MB . . 3.270 3.317 3.277 3.373 0.103 18 0 "[ . 1 . 2]" 1
333 1 74 CYS HB2 1 75 GLY H . . 4.360 3.778 3.229 3.981 . 0 0 "[ . 1 . 2]" 1
334 1 74 CYS H 1 74 CYS HB2 . . 3.180 2.374 2.319 2.425 . 0 0 "[ . 1 . 2]" 1
335 1 74 CYS HB2 1 76 VAL H . . 4.670 4.278 2.842 4.692 0.022 7 0 "[ . 1 . 2]" 1
336 1 34 LYS HA 1 34 LYS HB2 . . 3.130 2.409 2.316 2.451 . 0 0 "[ . 1 . 2]" 1
337 1 34 LYS HA 1 37 ALA H . . 3.810 3.620 3.573 3.722 . 0 0 "[ . 1 . 2]" 1
338 1 34 LYS HA 1 38 ALA H . . 4.740 4.478 4.347 4.738 . 0 0 "[ . 1 . 2]" 1
339 1 34 LYS HA 1 35 LEU H . . 3.740 3.530 3.526 3.541 . 0 0 "[ . 1 . 2]" 1
340 1 34 LYS HA 1 36 LEU H . . 4.780 4.809 4.788 4.846 0.066 11 0 "[ . 1 . 2]" 1
341 1 34 LYS HA 1 34 LYS HB3 . . 3.130 3.020 2.990 3.025 . 0 0 "[ . 1 . 2]" 1
342 1 34 LYS HA 1 37 ALA MB . . 3.030 2.444 2.382 2.653 . 0 0 "[ . 1 . 2]" 1
343 1 28 CYS HB3 1 29 CYS H . . 3.270 2.642 2.623 2.655 . 0 0 "[ . 1 . 2]" 1
344 1 28 CYS H 1 28 CYS HB3 . . 3.080 2.178 2.166 2.194 . 0 0 "[ . 1 . 2]" 1
345 1 25 SER H 1 28 CYS HB3 . . 3.440 2.915 2.855 2.968 . 0 0 "[ . 1 . 2]" 1
346 1 57 GLY HA3 1 58 SER H . . 3.260 3.024 3.019 3.028 . 0 0 "[ . 1 . 2]" 1
347 1 24 PRO HB3 1 25 SER H . . 4.220 4.009 3.939 4.109 . 0 0 "[ . 1 . 2]" 1
348 1 29 CYS HA 1 74 CYS HB3 . . 4.020 3.543 3.314 3.961 . 0 0 "[ . 1 . 2]" 1
349 1 43 PRO HB2 1 44 ASP H . . 4.050 3.744 3.564 3.805 . 0 0 "[ . 1 . 2]" 1
350 1 28 CYS HA 1 29 CYS H . . 4.260 3.561 3.559 3.563 . 0 0 "[ . 1 . 2]" 1
351 1 13 PRO HG3 1 28 CYS HA . . 3.650 3.076 3.022 3.135 . 0 0 "[ . 1 . 2]" 1
352 1 13 PRO HB3 1 28 CYS HA . . 3.790 3.914 3.883 3.954 0.164 11 0 "[ . 1 . 2]" 1
353 1 28 CYS HA 1 31 GLY H . . 3.960 3.571 3.540 3.607 . 0 0 "[ . 1 . 2]" 1
354 1 14 CYS HA 1 28 CYS HA . . 4.260 4.213 4.058 4.291 0.031 11 0 "[ . 1 . 2]" 1
355 1 13 PRO HB2 1 28 CYS HA . . 3.170 2.506 2.426 2.557 . 0 0 "[ . 1 . 2]" 1
356 1 2 ILE HA 1 3 SER H . . 2.790 2.606 2.472 2.681 . 0 0 "[ . 1 . 2]" 1
357 1 66 ASN HB3 1 66 ASN HD22 . . 4.160 3.733 3.435 3.895 . 0 0 "[ . 1 . 2]" 1
358 1 66 ASN H 1 66 ASN HB3 . . 3.710 3.594 3.571 3.610 . 0 0 "[ . 1 . 2]" 1
359 1 33 LYS H 1 33 LYS HG3 . . 3.780 2.269 2.049 2.355 . 0 0 "[ . 1 . 2]" 1
360 1 26 PRO HA 1 29 CYS H . . 3.830 3.792 3.770 3.832 0.002 20 0 "[ . 1 . 2]" 1
361 1 26 PRO HA 1 26 PRO QD . . 3.850 3.381 3.380 3.382 . 0 0 "[ . 1 . 2]" 1
362 1 26 PRO HA 1 26 PRO HG3 . . 3.730 4.024 4.024 4.025 0.295 3 0 "[ . 1 . 2]" 1
363 1 26 PRO HA 1 26 PRO HB3 . . 2.920 2.297 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
364 1 26 PRO HA 1 26 PRO HG2 . . 3.430 3.852 3.852 3.853 0.423 16 0 "[ . 1 . 2]" 1
365 1 26 PRO HA 1 27 GLN H . . 4.360 3.520 3.516 3.526 . 0 0 "[ . 1 . 2]" 1
366 1 26 PRO HA 1 30 GLY H . . 4.670 4.675 4.670 4.677 0.007 19 0 "[ . 1 . 2]" 1
367 1 26 PRO HA 1 29 CYS HB2 . . 3.480 3.115 3.092 3.148 . 0 0 "[ . 1 . 2]" 1
368 1 86 THR H 1 86 THR HB . . 2.920 2.464 2.415 2.600 . 0 0 "[ . 1 . 2]" 1
369 1 36 LEU H 1 36 LEU HG . . 3.300 2.473 2.395 2.584 . 0 0 "[ . 1 . 2]" 1
370 1 37 ALA HA 1 38 ALA H . . 3.380 3.455 3.426 3.487 0.107 15 0 "[ . 1 . 2]" 1
371 1 32 VAL H 1 32 VAL HB . . 3.110 2.609 2.598 2.631 . 0 0 "[ . 1 . 2]" 1
372 1 32 VAL HB 1 33 LYS H . . 3.220 2.501 2.322 2.555 . 0 0 "[ . 1 . 2]" 1
373 1 29 CYS HA 1 32 VAL HB . . 3.740 2.636 2.583 2.710 . 0 0 "[ . 1 . 2]" 1
374 1 19 THR HA 1 20 GLY H . . 4.060 2.970 2.851 3.016 . 0 0 "[ . 1 . 2]" 1
375 1 33 LYS HA 1 34 LYS H . . 3.710 3.540 3.535 3.551 . 0 0 "[ . 1 . 2]" 1
376 1 33 LYS HA 1 33 LYS HG2 . . 3.240 2.939 2.896 3.005 . 0 0 "[ . 1 . 2]" 1
377 1 33 LYS HA 1 35 LEU H . . 4.250 4.385 4.361 4.477 0.227 11 0 "[ . 1 . 2]" 1
378 1 33 LYS HA 1 36 LEU HB2 . . 3.230 2.925 2.838 3.000 . 0 0 "[ . 1 . 2]" 1
379 1 70 LEU H 1 70 LEU HB3 . . 3.110 2.182 2.174 2.189 . 0 0 "[ . 1 . 2]" 1
380 1 92 LYS H 1 92 LYS QG . . 3.830 3.030 1.942 4.016 0.186 9 0 "[ . 1 . 2]" 1
381 1 48 ALA HA 1 52 LEU H . . 4.610 4.470 4.195 4.612 0.002 12 0 "[ . 1 . 2]" 1
382 1 48 ALA HA 1 49 CYS H . . 3.640 3.559 3.532 3.572 . 0 0 "[ . 1 . 2]" 1
383 1 48 ALA HA 1 51 CYS HB2 . . 3.760 2.761 2.588 2.984 . 0 0 "[ . 1 . 2]" 1
384 1 2 ILE H 1 2 ILE HG12 . . 4.110 2.143 2.051 2.601 . 0 0 "[ . 1 . 2]" 1
385 1 15 LEU HB3 1 19 THR MG . . 3.650 3.762 3.707 3.784 0.134 19 0 "[ . 1 . 2]" 1
386 1 19 THR MG 1 61 LYS HB2 . . 3.960 3.286 2.520 3.595 . 0 0 "[ . 1 . 2]" 1
387 1 19 THR H 1 19 THR MG . . 3.390 2.814 2.689 3.022 . 0 0 "[ . 1 . 2]" 1
388 1 19 THR HA 1 19 THR MG . . 3.020 2.249 2.225 2.293 . 0 0 "[ . 1 . 2]" 1
389 1 19 THR MG 1 62 LEU H . . 4.390 4.385 4.022 4.428 0.038 1 0 "[ . 1 . 2]" 1
390 1 19 THR MG 1 63 ASN H . . 4.140 3.884 3.680 4.235 0.095 20 0 "[ . 1 . 2]" 1
391 1 19 THR MG 1 61 LYS H . . 4.520 4.415 4.186 4.533 0.013 19 0 "[ . 1 . 2]" 1
392 1 19 THR MG 1 62 LEU HA . . 3.320 2.983 2.887 3.203 . 0 0 "[ . 1 . 2]" 1
393 1 15 LEU HG 1 19 THR MG . . 3.140 2.061 2.011 2.140 . 0 0 "[ . 1 . 2]" 1
394 1 29 CYS H 1 29 CYS HB3 . . 3.580 3.559 3.519 3.580 . 0 0 "[ . 1 . 2]" 1
395 1 29 CYS HB3 1 74 CYS HB3 . . 3.660 2.968 2.833 3.286 . 0 0 "[ . 1 . 2]" 1
396 1 29 CYS HB3 1 30 GLY H . . 4.240 3.547 3.423 3.632 . 0 0 "[ . 1 . 2]" 1
397 1 9 SER H 1 9 SER HB2 . . 3.150 2.227 2.182 2.327 . 0 0 "[ . 1 . 2]" 1
398 1 9 SER HB2 1 10 ASP H . . 3.520 3.037 2.729 3.614 0.094 8 0 "[ . 1 . 2]" 1
399 1 54 SER HA 1 57 GLY H . . 4.350 3.418 3.338 3.510 . 0 0 "[ . 1 . 2]" 1
400 1 54 SER HA 1 54 SER QB . . 2.660 2.357 2.235 2.482 . 0 0 "[ . 1 . 2]" 1
401 1 13 PRO HD2 1 14 CYS H . . 3.740 2.776 2.745 2.830 . 0 0 "[ . 1 . 2]" 1
402 1 12 SER H 1 13 PRO HD2 . . 3.330 2.134 2.122 2.143 . 0 0 "[ . 1 . 2]" 1
403 1 13 PRO HB2 1 13 PRO HD2 . . 3.890 4.044 4.043 4.045 0.155 20 0 "[ . 1 . 2]" 1
404 1 12 SER QB 1 13 PRO HD2 . . 3.750 2.454 2.426 2.474 . 0 0 "[ . 1 . 2]" 1
405 1 41 THR HB 1 44 ASP H . . 4.840 2.997 2.775 4.070 . 0 0 "[ . 1 . 2]" 1
406 1 41 THR HB 1 42 THR H . . 4.250 2.409 2.289 2.540 . 0 0 "[ . 1 . 2]" 1
407 1 65 ASN HB3 1 66 ASN H . . 3.550 3.220 2.954 3.306 . 0 0 "[ . 1 . 2]" 1
408 1 65 ASN H 1 65 ASN HB3 . . 3.390 3.492 3.491 3.494 0.104 5 0 "[ . 1 . 2]" 1
409 1 63 ASN HB2 1 64 THR HA . . 5.390 5.384 5.231 5.418 0.028 14 0 "[ . 1 . 2]" 1
410 1 64 THR HA 1 67 ALA H . . 3.450 3.243 3.217 3.372 . 0 0 "[ . 1 . 2]" 1
411 1 62 LEU MD2 1 64 THR HA . . 4.010 3.963 3.797 4.028 0.018 19 0 "[ . 1 . 2]" 1
412 1 64 THR HA 1 64 THR HB . . 3.020 2.414 2.396 2.439 . 0 0 "[ . 1 . 2]" 1
413 1 64 THR HA 1 68 ALA H . . 4.350 4.233 4.067 4.351 0.001 6 0 "[ . 1 . 2]" 1
414 1 64 THR HA 1 67 ALA MB . . 2.920 2.190 2.047 2.358 . 0 0 "[ . 1 . 2]" 1
415 1 62 LEU HG 1 64 THR H . . 4.550 3.240 3.017 3.383 . 0 0 "[ . 1 . 2]" 1
416 1 62 LEU HG 1 63 ASN H . . 4.240 3.011 2.363 3.169 . 0 0 "[ . 1 . 2]" 1
417 1 7 VAL MG1 1 8 THR MG . . 3.130 3.119 3.054 3.163 0.033 6 0 "[ . 1 . 2]" 1
418 1 7 VAL MG1 1 52 LEU H . . 4.060 2.942 2.707 3.543 . 0 0 "[ . 1 . 2]" 1
419 1 7 VAL MG1 1 51 CYS HB3 . . 3.620 2.691 2.508 3.706 0.086 15 0 "[ . 1 . 2]" 1
420 1 7 VAL MG1 1 51 CYS HB2 . . 3.660 2.484 2.256 3.521 . 0 0 "[ . 1 . 2]" 1
421 1 7 VAL MG1 1 52 LEU HA . . 3.780 3.847 3.777 3.912 0.132 15 0 "[ . 1 . 2]" 1
422 1 7 VAL MG1 1 48 ALA HA . . 3.580 2.128 1.969 2.540 . 0 0 "[ . 1 . 2]" 1
423 1 7 VAL H 1 7 VAL MG1 . . 3.680 3.769 3.766 3.773 0.093 14 0 "[ . 1 . 2]" 1
424 1 7 VAL MG1 1 52 LEU HG . . 3.200 1.876 1.843 1.897 . 0 0 "[ . 1 . 2]" 1
425 1 4 CYS HA 1 7 VAL MG1 . . 4.050 3.952 3.492 4.070 0.020 16 0 "[ . 1 . 2]" 1
426 1 7 VAL MG1 1 8 THR H . . 3.590 3.382 3.305 3.469 . 0 0 "[ . 1 . 2]" 1
427 1 7 VAL HA 1 7 VAL MG1 . . 3.010 2.359 2.309 2.411 . 0 0 "[ . 1 . 2]" 1
428 1 7 VAL MG1 1 7 VAL MG2 . . 2.490 2.027 1.995 2.072 . 0 0 "[ . 1 . 2]" 1
429 1 7 VAL MG1 1 48 ALA MB . . 3.190 2.355 1.916 2.563 . 0 0 "[ . 1 . 2]" 1
430 1 20 GLY HA3 1 63 ASN HB3 . . 4.490 4.562 4.524 4.581 0.091 3 0 "[ . 1 . 2]" 1
431 1 20 GLY HA3 1 21 GLY H . . 4.290 3.212 3.145 3.278 . 0 0 "[ . 1 . 2]" 1
432 1 91 VAL H 1 91 VAL HB . . 3.620 3.710 3.602 3.819 0.199 19 0 "[ . 1 . 2]" 1
433 1 75 GLY H 1 75 GLY HA3 . . 2.960 2.819 2.757 2.938 . 0 0 "[ . 1 . 2]" 1
434 1 75 GLY HA3 1 76 VAL H . . 3.620 3.483 2.970 3.567 . 0 0 "[ . 1 . 2]" 1
435 1 13 PRO HG2 1 14 CYS H . . 4.410 2.910 2.838 3.024 . 0 0 "[ . 1 . 2]" 1
436 1 13 PRO HG2 1 28 CYS HA . . 3.680 1.961 1.945 1.976 . 0 0 "[ . 1 . 2]" 1
437 1 82 ILE HA 1 83 SER H . . 3.710 2.497 2.140 3.478 . 0 0 "[ . 1 . 2]" 1
438 1 73 LYS H 1 73 LYS HG3 . . 3.450 3.171 2.687 3.498 0.048 12 0 "[ . 1 . 2]" 1
439 1 36 LEU HB3 1 36 LEU MD2 . . 3.010 2.342 2.300 2.361 . 0 0 "[ . 1 . 2]" 1
440 1 36 LEU MD2 1 39 ALA H . . 4.700 4.679 4.556 4.724 0.024 14 0 "[ . 1 . 2]" 1
441 1 36 LEU H 1 36 LEU MD2 . . 3.600 3.609 3.546 3.660 0.060 10 0 "[ . 1 . 2]" 1
442 1 36 LEU HA 1 36 LEU MD2 . . 2.830 1.992 1.955 2.065 . 0 0 "[ . 1 . 2]" 1
443 1 46 GLN HB2 1 47 ALA H . . 3.380 2.324 2.080 2.426 . 0 0 "[ . 1 . 2]" 1
444 1 46 GLN H 1 46 GLN HB2 . . 3.520 2.543 2.468 2.589 . 0 0 "[ . 1 . 2]" 1
445 1 27 GLN HA 1 29 CYS H . . 4.640 4.736 4.720 4.752 0.112 10 0 "[ . 1 . 2]" 1
446 1 27 GLN HA 1 28 CYS H . . 3.860 3.477 3.471 3.482 . 0 0 "[ . 1 . 2]" 1
447 1 27 GLN HA 1 27 GLN HB3 . . 3.130 2.440 2.435 2.443 . 0 0 "[ . 1 . 2]" 1
448 1 27 GLN HA 1 27 GLN HG3 . . 3.170 3.069 2.750 3.107 . 0 0 "[ . 1 . 2]" 1
449 1 27 GLN HA 1 30 GLY H . . 3.780 3.700 3.673 3.721 . 0 0 "[ . 1 . 2]" 1
450 1 27 GLN HA 1 27 GLN HG2 . . 3.580 2.655 2.623 2.969 . 0 0 "[ . 1 . 2]" 1
451 1 43 PRO HD3 1 44 ASP H . . 4.750 3.924 3.867 3.948 . 0 0 "[ . 1 . 2]" 1
452 1 43 PRO HB2 1 43 PRO HD3 . . 3.950 3.917 3.917 3.918 . 0 0 "[ . 1 . 2]" 1
453 1 41 THR HB 1 43 PRO HD3 . . 3.500 3.501 3.291 3.575 0.075 8 0 "[ . 1 . 2]" 1
454 1 42 THR HB 1 43 PRO HD3 . . 3.080 1.904 1.838 1.954 . 0 0 "[ . 1 . 2]" 1
455 1 43 PRO HA 1 43 PRO HD3 . . 3.990 3.602 3.601 3.603 . 0 0 "[ . 1 . 2]" 1
456 1 3 SER HB2 1 6 ALA MB . . 3.530 2.565 2.189 3.549 0.019 6 0 "[ . 1 . 2]" 1
457 1 6 ALA MB 1 7 VAL H . . 3.080 2.987 2.936 3.081 0.001 4 0 "[ . 1 . 2]" 1
458 1 6 ALA H 1 6 ALA MB . . 2.810 2.282 2.269 2.290 . 0 0 "[ . 1 . 2]" 1
459 1 6 ALA MB 1 9 SER H . . 5.110 4.782 4.668 4.897 . 0 0 "[ . 1 . 2]" 1
460 1 3 SER H 1 6 ALA MB . . 3.530 3.545 3.465 3.660 0.130 15 0 "[ . 1 . 2]" 1
461 1 5 GLY QA 1 6 ALA MB . . 3.940 4.072 4.012 4.103 0.163 15 0 "[ . 1 . 2]" 1
462 1 6 ALA HA 1 6 ALA MB . . 2.580 2.120 2.116 2.127 . 0 0 "[ . 1 . 2]" 1
463 1 17 TYR HA 1 20 GLY H . . 4.400 4.115 3.965 4.384 . 0 0 "[ . 1 . 2]" 1
464 1 17 TYR HA 1 18 LEU H . . 4.380 3.500 3.492 3.508 . 0 0 "[ . 1 . 2]" 1
465 1 17 TYR HA 1 19 THR H . . 4.560 3.864 3.564 3.986 . 0 0 "[ . 1 . 2]" 1
466 1 17 TYR HA 1 17 TYR QD . . 3.500 2.598 2.404 2.722 . 0 0 "[ . 1 . 2]" 1
467 1 17 TYR HA 1 21 GLY H . . 3.500 3.041 2.876 3.141 . 0 0 "[ . 1 . 2]" 1
468 1 11 LEU HA 1 11 LEU HG . . 4.040 3.100 3.070 3.124 . 0 0 "[ . 1 . 2]" 1
469 1 11 LEU HA 1 14 CYS H . . 4.190 3.143 3.112 3.197 . 0 0 "[ . 1 . 2]" 1
470 1 11 LEU HA 1 12 SER H . . 3.760 3.076 3.054 3.112 . 0 0 "[ . 1 . 2]" 1
471 1 11 LEU HA 1 14 CYS HB2 . . 4.170 2.468 2.441 2.511 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLY HA3 1 32 VAL H . . 3.620 2.809 2.787 2.830 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLY H 1 31 GLY HA3 . . 3.040 2.309 2.308 2.310 . 0 0 "[ . 1 . 2]" 1
474 1 13 PRO HB3 1 14 CYS H . . 4.830 4.362 4.337 4.403 . 0 0 "[ . 1 . 2]" 1
475 1 13 PRO HB3 1 13 PRO HD2 . . 4.140 3.873 3.872 3.874 . 0 0 "[ . 1 . 2]" 1
476 1 16 THR HB 1 17 TYR H . . 3.600 2.145 2.101 2.190 . 0 0 "[ . 1 . 2]" 1
477 1 16 THR H 1 16 THR HB . . 3.350 2.552 2.538 2.586 . 0 0 "[ . 1 . 2]" 1
478 1 49 CYS HA 1 52 LEU H . . 4.140 3.528 3.366 3.824 . 0 0 "[ . 1 . 2]" 1
479 1 49 CYS HA 1 50 ASN H . . 3.650 3.569 3.566 3.571 . 0 0 "[ . 1 . 2]" 1
480 1 49 CYS HA 1 49 CYS HB2 . . 3.120 2.493 2.450 2.599 . 0 0 "[ . 1 . 2]" 1
481 1 49 CYS HA 1 52 LEU HB2 . . 3.870 3.155 2.708 3.420 . 0 0 "[ . 1 . 2]" 1
482 1 49 CYS HA 1 52 LEU MD1 . . 3.340 3.340 3.091 3.401 0.061 7 0 "[ . 1 . 2]" 1
483 1 88 CYS HA 1 89 ASN H . . 4.000 3.328 3.271 3.392 . 0 0 "[ . 1 . 2]" 1
484 1 88 CYS HA 1 90 THR H . . 3.990 3.676 3.493 3.914 . 0 0 "[ . 1 . 2]" 1
485 1 78 ILE H 1 78 ILE HB . . 3.930 2.919 2.723 3.847 . 0 0 "[ . 1 . 2]" 1
486 1 43 PRO HG2 1 44 ASP H . . 4.560 2.959 2.678 3.058 . 0 0 "[ . 1 . 2]" 1
487 1 17 TYR H 1 17 TYR HB2 . . 3.410 2.692 2.637 2.733 . 0 0 "[ . 1 . 2]" 1
488 1 17 TYR HB2 1 18 LEU H . . 4.070 4.091 4.064 4.109 0.039 1 0 "[ . 1 . 2]" 1
489 1 39 ALA HA 1 40 ASN H . . 3.330 2.432 2.344 2.480 . 0 0 "[ . 1 . 2]" 1
490 1 51 CYS HA 1 54 SER H . . 4.340 3.930 3.679 4.329 . 0 0 "[ . 1 . 2]" 1
491 1 45 ARG HA 1 48 ALA H . . 4.120 3.692 3.448 3.966 . 0 0 "[ . 1 . 2]" 1
492 1 67 ALA H 1 68 ALA MB . . 4.080 4.130 4.106 4.155 0.075 8 0 "[ . 1 . 2]" 1
493 1 68 ALA H 1 68 ALA MB . . 2.700 2.074 2.055 2.155 . 0 0 "[ . 1 . 2]" 1
494 1 68 ALA MB 1 82 ILE HB . . 3.550 2.179 1.953 2.628 . 0 0 "[ . 1 . 2]" 1
495 1 41 THR HA 1 42 THR H . . 3.740 2.614 2.402 3.552 . 0 0 "[ . 1 . 2]" 1
496 1 82 ILE H 1 82 ILE QG . . 3.680 2.661 2.336 3.259 . 0 0 "[ . 1 . 2]" 1
497 1 52 LEU H 1 52 LEU HG . . 3.910 2.485 2.170 3.177 . 0 0 "[ . 1 . 2]" 1
498 1 8 THR MG 1 52 LEU MD2 . . 3.250 2.040 1.864 2.465 . 0 0 "[ . 1 . 2]" 1
499 1 52 LEU HA 1 52 LEU MD2 . . 2.760 2.028 1.942 2.346 . 0 0 "[ . 1 . 2]" 1
500 1 7 VAL MG1 1 52 LEU MD2 . . 2.590 2.183 1.833 2.668 0.078 16 0 "[ . 1 . 2]" 1
501 1 52 LEU HB3 1 52 LEU MD2 . . 2.530 2.361 2.224 2.461 . 0 0 "[ . 1 . 2]" 1
502 1 52 LEU HB2 1 52 LEU MD2 . . 3.450 3.181 3.141 3.196 . 0 0 "[ . 1 . 2]" 1
503 1 4 CYS HA 1 7 VAL HB . . 3.990 2.849 2.133 3.075 . 0 0 "[ . 1 . 2]" 1
504 1 38 ALA HA 1 39 ALA H . . 3.880 3.523 3.504 3.539 . 0 0 "[ . 1 . 2]" 1
505 1 14 CYS HA 1 28 CYS HB2 . . 3.390 2.380 2.265 2.431 . 0 0 "[ . 1 . 2]" 1
506 1 14 CYS HA 1 17 TYR H . . 4.310 3.502 3.467 3.531 . 0 0 "[ . 1 . 2]" 1
507 1 14 CYS HA 1 28 CYS HB3 . . 3.500 3.597 3.553 3.622 0.122 17 0 "[ . 1 . 2]" 1
508 1 14 CYS HA 1 15 LEU H . . 4.330 3.477 3.464 3.492 . 0 0 "[ . 1 . 2]" 1
509 1 68 ALA HA 1 69 ALA H . . 4.030 3.532 3.519 3.540 . 0 0 "[ . 1 . 2]" 1
510 1 68 ALA HA 1 82 ILE HB . . 3.210 3.134 2.280 3.295 0.085 18 0 "[ . 1 . 2]" 1
511 1 68 ALA HA 1 82 ILE MD . . 3.620 2.881 2.620 3.375 . 0 0 "[ . 1 . 2]" 1
512 1 15 LEU H 1 15 LEU HB2 . . 3.000 2.200 2.185 2.216 . 0 0 "[ . 1 . 2]" 1
513 1 15 LEU HB2 1 16 THR H . . 4.000 3.635 3.556 3.678 . 0 0 "[ . 1 . 2]" 1
514 1 42 THR HA 1 45 ARG HB2 . . 3.800 3.653 3.288 3.836 0.036 11 0 "[ . 1 . 2]" 1
515 1 42 THR HA 1 93 PHE H . . 4.060 3.378 1.966 4.086 0.026 16 0 "[ . 1 . 2]" 1
516 1 42 THR HA 1 93 PHE HB3 . . 4.070 3.185 2.271 4.137 0.067 8 0 "[ . 1 . 2]" 1
517 1 42 THR HA 1 45 ARG H . . 3.960 3.694 3.658 3.737 . 0 0 "[ . 1 . 2]" 1
518 1 42 THR HA 1 46 GLN H . . 4.360 4.370 4.306 4.402 0.042 18 0 "[ . 1 . 2]" 1
519 1 87 ASN HB2 1 89 ASN H . . 4.460 4.535 4.429 4.648 0.188 17 0 "[ . 1 . 2]" 1
520 1 87 ASN HB2 1 90 THR MG . . 4.050 3.468 3.086 4.052 0.002 20 0 "[ . 1 . 2]" 1
521 1 87 ASN H 1 87 ASN HB2 . . 3.880 2.456 2.341 2.717 . 0 0 "[ . 1 . 2]" 1
522 1 27 GLN HG3 1 28 CYS H . . 4.220 4.257 4.244 4.320 0.100 19 0 "[ . 1 . 2]" 1
523 1 27 GLN H 1 27 GLN HG3 . . 3.860 2.198 2.187 2.261 . 0 0 "[ . 1 . 2]" 1
524 1 70 LEU HB2 1 71 PRO HD3 . . 3.490 3.527 3.518 3.536 0.046 16 0 "[ . 1 . 2]" 1
525 1 70 LEU HB3 1 71 PRO HD3 . . 3.140 1.920 1.907 1.934 . 0 0 "[ . 1 . 2]" 1
526 1 70 LEU H 1 71 PRO HD3 . . 3.450 3.164 3.149 3.174 . 0 0 "[ . 1 . 2]" 1
527 1 32 VAL MG1 1 71 PRO HD3 . . 4.960 4.062 3.898 4.210 . 0 0 "[ . 1 . 2]" 1
528 1 71 PRO HD3 1 72 GLY H . . 4.220 3.849 3.845 3.850 . 0 0 "[ . 1 . 2]" 1
529 1 69 ALA MB 1 73 LYS HE2 . . 3.320 2.607 1.918 3.326 0.006 20 0 "[ . 1 . 2]" 1
530 1 56 ALA H 1 56 ALA MB . . 2.580 2.121 2.055 2.305 . 0 0 "[ . 1 . 2]" 1
531 1 56 ALA MB 1 57 GLY H . . 3.460 2.885 2.792 3.006 . 0 0 "[ . 1 . 2]" 1
532 1 56 ALA MB 1 59 ILE H . . 4.580 4.376 4.264 4.549 . 0 0 "[ . 1 . 2]" 1
533 1 56 ALA MB 1 57 GLY HA2 . . 4.350 3.802 3.721 3.894 . 0 0 "[ . 1 . 2]" 1
534 1 53 LYS HA 1 56 ALA MB . . 2.810 2.560 2.364 2.744 . 0 0 "[ . 1 . 2]" 1
535 1 21 GLY HA3 1 22 PRO HD2 . . 3.330 2.294 2.279 2.323 . 0 0 "[ . 1 . 2]" 1
536 1 21 GLY HA2 1 22 PRO HD2 . . 2.630 2.744 2.712 2.761 0.131 9 0 "[ . 1 . 2]" 1
537 1 21 GLY H 1 22 PRO HD2 . . 4.350 4.568 4.555 4.595 0.245 20 0 "[ . 1 . 2]" 1
538 1 2 ILE MD 1 38 ALA MB . . 5.020 3.907 3.544 4.159 . 0 0 "[ . 1 . 2]" 1
539 1 38 ALA MB 1 39 ALA H . . 3.120 2.665 2.587 2.811 . 0 0 "[ . 1 . 2]" 1
540 1 38 ALA H 1 38 ALA MB . . 2.810 2.220 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA HA 1 38 ALA MB . . 2.560 2.118 2.088 2.127 . 0 0 "[ . 1 . 2]" 1
542 1 35 LEU HA 1 38 ALA MB . . 3.170 2.970 2.613 3.223 0.053 15 0 "[ . 1 . 2]" 1
543 1 44 ASP HA 1 47 ALA H . . 4.250 3.994 3.906 4.120 . 0 0 "[ . 1 . 2]" 1
544 1 2 ILE MG 1 44 ASP HA . . 5.210 2.406 2.202 2.714 . 0 0 "[ . 1 . 2]" 1
545 1 30 GLY H 1 30 GLY HA2 . . 3.060 2.776 2.773 2.784 . 0 0 "[ . 1 . 2]" 1
546 1 57 GLY H 1 57 GLY HA2 . . 2.890 2.821 2.794 2.858 . 0 0 "[ . 1 . 2]" 1
547 1 49 CYS H 1 88 CYS HB3 . . 4.790 4.283 4.123 4.543 . 0 0 "[ . 1 . 2]" 1
548 1 33 LYS H 1 33 LYS QB . . 2.980 2.453 2.428 2.548 . 0 0 "[ . 1 . 2]" 1
549 1 30 GLY HA2 1 33 LYS QB . . 3.610 3.614 3.551 3.647 0.037 3 0 "[ . 1 . 2]" 1
550 1 27 GLN HB2 1 28 CYS H . . 3.560 2.904 2.885 2.931 . 0 0 "[ . 1 . 2]" 1
551 1 27 GLN H 1 27 GLN HB2 . . 3.250 2.529 2.523 2.540 . 0 0 "[ . 1 . 2]" 1
552 1 71 PRO HB2 1 72 GLY H . . 3.400 3.441 3.407 3.459 0.059 19 0 "[ . 1 . 2]" 1
553 1 67 ALA H 1 67 ALA MB . . 2.810 2.133 2.050 2.248 . 0 0 "[ . 1 . 2]" 1
554 1 67 ALA MB 1 68 ALA H . . 3.090 2.713 2.632 2.786 . 0 0 "[ . 1 . 2]" 1
555 1 18 LEU MD2 1 67 ALA MB . . 2.760 2.606 2.381 2.707 . 0 0 "[ . 1 . 2]" 1
556 1 22 PRO HB2 1 23 GLY H . . 3.660 3.071 3.028 3.123 . 0 0 "[ . 1 . 2]" 1
557 1 45 ARG H 1 45 ARG HG2 . . 3.530 2.375 2.284 2.554 . 0 0 "[ . 1 . 2]" 1
558 1 89 ASN H 1 89 ASN QB . . 2.890 2.273 2.065 2.611 . 0 0 "[ . 1 . 2]" 1
559 1 89 ASN QB 1 90 THR MG . . 3.830 3.319 2.817 3.993 0.163 13 0 "[ . 1 . 2]" 1
560 1 89 ASN QB 1 90 THR H . . 3.820 3.129 2.901 3.707 . 0 0 "[ . 1 . 2]" 1
561 1 17 TYR QE 1 69 ALA MB . . 4.160 3.691 3.457 4.170 0.010 20 0 "[ . 1 . 2]" 1
562 1 66 ASN HA 1 69 ALA MB . . 2.880 2.887 2.739 2.977 0.097 12 0 "[ . 1 . 2]" 1
563 1 69 ALA H 1 69 ALA MB . . 2.720 2.239 2.107 2.295 . 0 0 "[ . 1 . 2]" 1
564 1 69 ALA MB 1 70 LEU H . . 3.320 3.181 3.125 3.240 . 0 0 "[ . 1 . 2]" 1
565 1 69 ALA MB 1 72 GLY H . . 4.520 4.309 4.248 4.366 . 0 0 "[ . 1 . 2]" 1
566 1 69 ALA HA 1 69 ALA MB . . 2.590 2.119 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
567 1 36 LEU MD2 1 71 PRO HB3 . . 3.920 4.035 3.947 4.089 0.169 7 0 "[ . 1 . 2]" 1
568 1 71 PRO HB3 1 72 GLY H . . 4.190 4.205 4.186 4.216 0.026 19 0 "[ . 1 . 2]" 1
569 1 8 THR HB 1 9 SER H . . 3.780 3.754 3.600 3.831 0.051 11 0 "[ . 1 . 2]" 1
570 1 8 THR H 1 8 THR HB . . 3.710 3.633 3.629 3.636 . 0 0 "[ . 1 . 2]" 1
571 1 14 CYS H 1 14 CYS HB2 . . 3.090 2.478 2.443 2.491 . 0 0 "[ . 1 . 2]" 1
572 1 14 CYS HB2 1 18 LEU HG . . 4.160 3.614 3.506 3.912 . 0 0 "[ . 1 . 2]" 1
573 1 14 CYS HB2 1 18 LEU MD1 . . 3.580 2.843 2.680 3.011 . 0 0 "[ . 1 . 2]" 1
574 1 14 CYS HB2 1 15 LEU H . . 4.210 2.914 2.848 2.967 . 0 0 "[ . 1 . 2]" 1
575 1 60 THR H 1 60 THR MG . . 3.160 2.174 2.149 2.213 . 0 0 "[ . 1 . 2]" 1
576 1 70 LEU MD1 1 71 PRO HA . . 3.990 3.467 3.353 3.537 . 0 0 "[ . 1 . 2]" 1
577 1 29 CYS H 1 70 LEU MD1 . . 5.260 4.782 4.681 4.862 . 0 0 "[ . 1 . 2]" 1
578 1 70 LEU HA 1 70 LEU MD1 . . 2.930 2.341 2.293 2.386 . 0 0 "[ . 1 . 2]" 1
579 1 17 TYR QE 1 70 LEU MD1 . . 3.370 3.373 3.240 3.395 0.025 7 0 "[ . 1 . 2]" 1
580 1 70 LEU HB2 1 70 LEU MD1 . . 3.280 2.294 2.266 2.314 . 0 0 "[ . 1 . 2]" 1
581 1 70 LEU HB3 1 70 LEU MD1 . . 3.660 3.180 3.179 3.183 . 0 0 "[ . 1 . 2]" 1
582 1 70 LEU MD1 1 74 CYS H . . 4.570 4.560 4.467 4.667 0.097 20 0 "[ . 1 . 2]" 1
583 1 17 TYR QD 1 70 LEU MD1 . . 3.840 2.981 2.893 3.050 . 0 0 "[ . 1 . 2]" 1
584 1 14 CYS HB2 1 70 LEU MD1 . . 3.890 3.960 3.930 3.994 0.104 20 0 "[ . 1 . 2]" 1
585 1 70 LEU H 1 70 LEU MD1 . . 4.210 4.227 4.219 4.237 0.027 8 0 "[ . 1 . 2]" 1
586 1 24 PRO HB2 1 70 LEU MD1 . . 3.390 3.485 3.445 3.525 0.135 8 0 "[ . 1 . 2]" 1
587 1 18 LEU MD2 1 70 LEU MD1 . . 3.140 3.021 2.896 3.158 0.018 20 0 "[ . 1 . 2]" 1
588 1 18 LEU HB2 1 18 LEU MD1 . . 3.190 2.379 2.305 2.439 . 0 0 "[ . 1 . 2]" 1
589 1 14 CYS HB3 1 18 LEU MD1 . . 3.570 2.678 2.511 2.790 . 0 0 "[ . 1 . 2]" 1
590 1 18 LEU H 1 18 LEU MD1 . . 3.710 3.790 3.775 3.815 0.105 8 0 "[ . 1 . 2]" 1
591 1 18 LEU HB3 1 18 LEU MD1 . . 3.310 2.323 2.255 2.379 . 0 0 "[ . 1 . 2]" 1
592 1 62 LEU H 1 62 LEU HB3 . . 3.130 2.397 2.369 2.460 . 0 0 "[ . 1 . 2]" 1
593 1 73 LYS H 1 73 LYS HB2 . . 3.140 2.252 2.173 2.441 . 0 0 "[ . 1 . 2]" 1
594 1 73 LYS HB2 1 74 CYS H . . 3.720 3.208 3.019 3.324 . 0 0 "[ . 1 . 2]" 1
595 1 25 SER HA 1 27 GLN H . . 4.410 4.272 4.254 4.294 . 0 0 "[ . 1 . 2]" 1
596 1 58 SER H 1 59 ILE HG13 . . 4.360 3.156 3.143 3.186 . 0 0 "[ . 1 . 2]" 1
597 1 59 ILE H 1 59 ILE HG13 . . 3.500 2.250 2.186 2.313 . 0 0 "[ . 1 . 2]" 1
598 1 59 ILE HA 1 59 ILE HG13 . . 3.990 3.295 3.270 3.328 . 0 0 "[ . 1 . 2]" 1
599 1 63 ASN HB3 1 63 ASN HD22 . . 3.860 3.444 3.435 3.522 . 0 0 "[ . 1 . 2]" 1
600 1 63 ASN HB3 1 64 THR H . . 4.530 4.048 3.936 4.451 . 0 0 "[ . 1 . 2]" 1
601 1 20 GLY H 1 63 ASN HB3 . . 4.290 3.785 3.502 3.899 . 0 0 "[ . 1 . 2]" 1
602 1 63 ASN HB3 1 63 ASN HD21 . . 3.500 2.138 2.116 2.338 . 0 0 "[ . 1 . 2]" 1
603 1 63 ASN H 1 63 ASN HB3 . . 3.690 3.613 3.093 3.803 0.113 12 0 "[ . 1 . 2]" 1
604 1 64 THR H 1 64 THR MG . . 3.160 2.057 1.970 2.166 . 0 0 "[ . 1 . 2]" 1
605 1 63 ASN HA 1 64 THR MG . . 4.010 3.863 3.801 3.948 . 0 0 "[ . 1 . 2]" 1
606 1 64 THR HA 1 64 THR MG . . 2.970 2.357 2.325 2.388 . 0 0 "[ . 1 . 2]" 1
607 1 64 THR MG 1 65 ASN H . . 3.930 3.892 3.855 3.923 . 0 0 "[ . 1 . 2]" 1
608 1 10 ASP HB2 1 11 LEU H . . 3.750 3.116 3.002 3.224 . 0 0 "[ . 1 . 2]" 1
609 1 10 ASP HB2 1 35 LEU HB2 . . 4.240 2.783 2.706 2.856 . 0 0 "[ . 1 . 2]" 1
610 1 10 ASP HB2 1 35 LEU H . . 4.990 5.040 5.027 5.059 0.069 8 0 "[ . 1 . 2]" 1
611 1 10 ASP H 1 10 ASP HB2 . . 3.170 2.326 2.241 2.471 . 0 0 "[ . 1 . 2]" 1
612 1 53 LYS HA 1 54 SER H . . 3.800 3.539 3.505 3.571 . 0 0 "[ . 1 . 2]" 1
613 1 34 LYS H 1 34 LYS HB3 . . 3.160 2.421 2.237 2.512 . 0 0 "[ . 1 . 2]" 1
614 1 34 LYS HB3 1 35 LEU H . . 3.480 2.677 2.635 2.739 . 0 0 "[ . 1 . 2]" 1
615 1 23 GLY H 1 24 PRO HA . . 4.560 4.689 4.676 4.718 0.158 8 0 "[ . 1 . 2]" 1
616 1 23 GLY HA3 1 24 PRO HA . . 3.240 1.983 1.965 2.032 . 0 0 "[ . 1 . 2]" 1
617 1 23 GLY HA2 1 24 PRO HA . . 3.070 3.077 2.999 3.109 0.039 18 0 "[ . 1 . 2]" 1
618 1 17 TYR HB2 1 24 PRO HA . . 3.700 2.732 2.629 2.853 . 0 0 "[ . 1 . 2]" 1
619 1 24 PRO HA 1 25 SER H . . 3.070 2.155 2.151 2.163 . 0 0 "[ . 1 . 2]" 1
620 1 82 ILE H 1 82 ILE HB . . 4.290 2.723 2.208 3.497 . 0 0 "[ . 1 . 2]" 1
621 1 5 GLY QA 1 7 VAL H . . 3.800 3.789 3.686 3.832 0.032 16 0 "[ . 1 . 2]" 1
622 1 5 GLY QA 1 6 ALA H . . 3.370 2.796 2.682 2.824 . 0 0 "[ . 1 . 2]" 1
623 1 5 GLY QA 1 9 SER H . . 4.050 4.033 3.941 4.075 0.025 15 0 "[ . 1 . 2]" 1
624 1 5 GLY QA 1 8 THR H . . 3.910 3.893 3.833 3.943 0.033 17 0 "[ . 1 . 2]" 1
625 1 26 PRO HB3 1 27 GLN H . . 4.340 4.154 4.139 4.165 . 0 0 "[ . 1 . 2]" 1
626 1 77 ASN HA 1 78 ILE H . . 3.130 2.197 2.139 2.463 . 0 0 "[ . 1 . 2]" 1
627 1 71 PRO HA 1 74 CYS HB3 . . 4.240 4.242 4.002 4.305 0.065 20 0 "[ . 1 . 2]" 1
628 1 74 CYS HB3 1 75 GLY H . . 4.840 4.303 3.987 4.401 . 0 0 "[ . 1 . 2]" 1
629 1 74 CYS H 1 74 CYS HB3 . . 3.690 3.606 3.582 3.631 . 0 0 "[ . 1 . 2]" 1
630 1 32 VAL H 1 32 VAL MG1 . . 3.580 3.766 3.765 3.767 0.187 16 0 "[ . 1 . 2]" 1
631 1 32 VAL MG1 1 35 LEU HB3 . . 4.040 3.942 3.830 3.993 . 0 0 "[ . 1 . 2]" 1
632 1 32 VAL MG1 1 33 LYS H . . 3.380 3.358 3.225 3.393 0.013 18 0 "[ . 1 . 2]" 1
633 1 32 VAL MG1 1 74 CYS HB2 . . 3.780 3.234 3.143 3.460 . 0 0 "[ . 1 . 2]" 1
634 1 32 VAL MG1 1 74 CYS H . . 4.850 4.920 4.892 4.947 0.097 3 0 "[ . 1 . 2]" 1
635 1 32 VAL MG1 1 74 CYS HB3 . . 4.070 3.842 3.649 4.077 0.007 20 0 "[ . 1 . 2]" 1
636 1 40 ASN H 1 40 ASN HB3 . . 4.030 2.804 2.467 3.698 . 0 0 "[ . 1 . 2]" 1
637 1 11 LEU HB2 1 11 LEU MD1 . . 3.340 2.383 2.299 2.438 . 0 0 "[ . 1 . 2]" 1
638 1 11 LEU H 1 11 LEU MD1 . . 4.510 4.091 3.985 4.130 . 0 0 "[ . 1 . 2]" 1
639 1 11 LEU HB3 1 11 LEU MD1 . . 3.300 2.310 2.267 2.364 . 0 0 "[ . 1 . 2]" 1
640 1 59 ILE MD 1 62 LEU MD1 . . 2.760 2.304 2.126 2.580 . 0 0 "[ . 1 . 2]" 1
641 1 59 ILE HB 1 59 ILE MD . . 3.170 2.374 2.363 2.383 . 0 0 "[ . 1 . 2]" 1
642 1 56 ALA HA 1 59 ILE MD . . 3.300 1.968 1.932 2.097 . 0 0 "[ . 1 . 2]" 1
643 1 15 LEU MD2 1 59 ILE MD . . 3.540 3.527 3.382 3.573 0.033 4 0 "[ . 1 . 2]" 1
644 1 58 SER H 1 59 ILE MD . . 4.390 4.482 4.461 4.515 0.125 4 0 "[ . 1 . 2]" 1
645 1 52 LEU H 1 52 LEU HB3 . . 4.150 3.577 3.459 3.606 . 0 0 "[ . 1 . 2]" 1
646 1 42 THR HB 1 44 ASP H . . 4.670 4.647 4.623 4.692 0.022 5 0 "[ . 1 . 2]" 1
647 1 42 THR H 1 42 THR HB . . 4.000 2.403 2.227 3.123 . 0 0 "[ . 1 . 2]" 1
648 1 86 THR HA 1 87 ASN H . . 3.160 2.229 2.177 2.289 . 0 0 "[ . 1 . 2]" 1
649 1 55 ALA HA 1 56 ALA H . . 3.950 3.417 3.363 3.470 . 0 0 "[ . 1 . 2]" 1
650 1 55 ALA HA 1 58 SER H . . 3.700 3.781 3.742 3.809 0.109 8 0 "[ . 1 . 2]" 1
651 1 73 LYS HA 1 75 GLY H . . 4.260 3.473 3.407 3.793 . 0 0 "[ . 1 . 2]" 1
652 1 73 LYS HA 1 74 CYS H . . 3.850 3.425 3.399 3.454 . 0 0 "[ . 1 . 2]" 1
653 1 58 SER HA 1 59 ILE H . . 4.280 3.216 3.164 3.275 . 0 0 "[ . 1 . 2]" 1
654 1 36 LEU HB2 1 37 ALA H . . 4.020 2.772 2.656 2.971 . 0 0 "[ . 1 . 2]" 1
655 1 36 LEU H 1 36 LEU HB2 . . 3.070 2.366 2.311 2.405 . 0 0 "[ . 1 . 2]" 1
656 1 71 PRO HA 1 76 VAL QG . . 3.010 2.785 2.592 3.030 0.020 17 0 "[ . 1 . 2]" 1
657 1 75 GLY H 1 76 VAL QG . . 4.310 3.623 3.477 4.063 . 0 0 "[ . 1 . 2]" 1
658 1 74 CYS H 1 76 VAL QG . . 4.170 3.640 3.460 3.841 . 0 0 "[ . 1 . 2]" 1
659 1 71 PRO HB2 1 76 VAL QG . . 3.700 3.029 2.595 3.218 . 0 0 "[ . 1 . 2]" 1
660 1 71 PRO HB3 1 76 VAL QG . . 3.310 3.362 3.074 3.412 0.102 8 0 "[ . 1 . 2]" 1
661 1 76 VAL MG1 1 77 ASN HA . . 4.250 4.009 3.593 4.289 0.039 3 0 "[ . 1 . 2]" 1
662 1 11 LEU MD2 1 32 VAL H . . 3.850 3.892 3.864 3.915 0.065 20 0 "[ . 1 . 2]" 1
663 1 11 LEU MD2 1 32 VAL MG2 . . 2.700 2.280 2.195 2.384 . 0 0 "[ . 1 . 2]" 1
664 1 11 LEU HB2 1 11 LEU MD2 . . 3.210 3.181 3.177 3.184 . 0 0 "[ . 1 . 2]" 1
665 1 11 LEU H 1 11 LEU MD2 . . 3.650 3.746 3.716 3.770 0.120 17 0 "[ . 1 . 2]" 1
666 1 11 LEU MD2 1 14 CYS H . . 4.260 3.939 3.877 4.019 . 0 0 "[ . 1 . 2]" 1
667 1 11 LEU MD2 1 32 VAL HA . . 3.070 2.928 2.847 3.000 . 0 0 "[ . 1 . 2]" 1
668 1 11 LEU MD2 1 35 LEU MD2 . . 2.870 2.917 2.883 2.954 0.084 20 0 "[ . 1 . 2]" 1
669 1 11 LEU HA 1 11 LEU MD2 . . 2.760 1.996 1.931 2.037 . 0 0 "[ . 1 . 2]" 1
670 1 11 LEU MD2 1 15 LEU H . . 4.420 4.542 4.513 4.591 0.171 20 0 "[ . 1 . 2]" 1
671 1 11 LEU HB3 1 11 LEU MD2 . . 3.010 2.381 2.347 2.397 . 0 0 "[ . 1 . 2]" 1
672 1 92 LYS H 1 92 LYS HB3 . . 3.800 2.876 2.317 3.806 0.006 6 0 "[ . 1 . 2]" 1
673 1 58 SER H 1 58 SER QB . . 3.030 2.410 2.222 2.667 . 0 0 "[ . 1 . 2]" 1
674 1 58 SER QB 1 59 ILE H . . 3.980 3.495 3.372 3.876 . 0 0 "[ . 1 . 2]" 1
675 1 19 THR HA 1 62 LEU HA . . 3.720 2.610 2.357 3.052 . 0 0 "[ . 1 . 2]" 1
676 1 62 LEU HA 1 63 ASN H . . 3.010 2.162 2.142 2.295 . 0 0 "[ . 1 . 2]" 1
677 1 21 GLY H 1 21 GLY HA2 . . 3.080 2.846 2.817 2.868 . 0 0 "[ . 1 . 2]" 1
678 1 7 VAL HA 1 11 LEU H . . 5.320 5.321 5.197 5.373 0.053 8 0 "[ . 1 . 2]" 1
679 1 6 ALA MB 1 7 VAL HA . . 4.110 3.894 3.863 3.943 . 0 0 "[ . 1 . 2]" 1
680 1 7 VAL HA 1 10 ASP H . . 4.080 3.995 3.911 4.053 . 0 0 "[ . 1 . 2]" 1
681 1 7 VAL HA 1 10 ASP HB2 . . 3.990 3.344 3.186 3.634 . 0 0 "[ . 1 . 2]" 1
682 1 7 VAL HA 1 8 THR H . . 4.140 3.562 3.551 3.568 . 0 0 "[ . 1 . 2]" 1
683 1 7 VAL HA 1 35 LEU MD1 . . 3.140 2.396 2.172 2.653 . 0 0 "[ . 1 . 2]" 1
684 1 46 GLN HA 1 91 VAL MG2 . . 4.020 2.810 2.644 3.146 . 0 0 "[ . 1 . 2]" 1
685 1 80 TYR QE 1 91 VAL QG . . 3.720 3.166 2.061 3.744 0.024 11 0 "[ . 1 . 2]" 1
686 1 91 VAL H 1 91 VAL MG2 . . 3.650 2.300 2.063 2.448 . 0 0 "[ . 1 . 2]" 1
687 1 46 GLN QG 1 91 VAL MG2 . . 3.660 1.815 1.774 1.862 . 0 0 "[ . 1 . 2]" 1
688 1 91 VAL MG2 1 92 LYS H . . 3.530 3.220 2.790 3.548 0.018 14 0 "[ . 1 . 2]" 1
689 1 45 ARG HB3 1 91 VAL MG2 . . 3.380 3.440 3.292 3.519 0.139 16 0 "[ . 1 . 2]" 1
690 1 47 ALA H 1 47 ALA MB . . 2.660 2.152 2.099 2.233 . 0 0 "[ . 1 . 2]" 1
691 1 2 ILE MG 1 47 ALA MB . . 5.920 3.826 3.563 3.941 . 0 0 "[ . 1 . 2]" 1
692 1 47 ALA MB 1 48 ALA H . . 3.000 2.447 2.138 2.589 . 0 0 "[ . 1 . 2]" 1
693 1 44 ASP HA 1 47 ALA MB . . 3.200 3.215 3.093 3.297 0.097 10 0 "[ . 1 . 2]" 1
694 1 13 PRO HD3 1 14 CYS H . . 4.190 3.911 3.895 3.939 . 0 0 "[ . 1 . 2]" 1
695 1 12 SER H 1 13 PRO HD3 . . 3.280 3.178 3.157 3.190 . 0 0 "[ . 1 . 2]" 1
696 1 13 PRO HB3 1 13 PRO HD3 . . 4.140 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
697 1 35 LEU HB3 1 35 LEU MD1 . . 3.650 3.180 3.177 3.194 . 0 0 "[ . 1 . 2]" 1
698 1 35 LEU MD1 1 39 ALA H . . 4.150 3.945 3.730 4.139 . 0 0 "[ . 1 . 2]" 1
699 1 10 ASP HB3 1 35 LEU MD1 . . 4.150 4.153 4.066 4.180 0.030 4 0 "[ . 1 . 2]" 1
700 1 35 LEU HB2 1 35 LEU MD1 . . 3.220 2.393 2.366 2.460 . 0 0 "[ . 1 . 2]" 1
701 1 35 LEU H 1 35 LEU MD1 . . 4.080 4.144 4.122 4.179 0.099 17 0 "[ . 1 . 2]" 1
702 1 35 LEU MD1 1 38 ALA MB . . 3.280 3.254 3.053 3.320 0.040 5 0 "[ . 1 . 2]" 1
703 1 10 ASP HB2 1 35 LEU MD1 . . 4.190 3.543 3.368 3.635 . 0 0 "[ . 1 . 2]" 1
704 1 35 LEU HA 1 35 LEU MD1 . . 2.900 2.079 2.040 2.180 . 0 0 "[ . 1 . 2]" 1
705 1 65 ASN HB2 1 66 ASN H . . 3.500 2.772 2.572 2.840 . 0 0 "[ . 1 . 2]" 1
706 1 65 ASN H 1 65 ASN HB2 . . 3.450 2.183 2.181 2.185 . 0 0 "[ . 1 . 2]" 1
707 1 2 ILE MD 1 7 VAL MG2 . . 5.950 1.919 1.814 2.058 . 0 0 "[ . 1 . 2]" 1
708 1 2 ILE MG 1 7 VAL MG2 . . 5.850 4.213 4.003 4.362 . 0 0 "[ . 1 . 2]" 1
709 1 7 VAL MG2 1 51 CYS HB3 . . 3.740 3.312 2.936 3.824 0.084 15 0 "[ . 1 . 2]" 1
710 1 7 VAL MG2 1 51 CYS HB2 . . 3.580 2.935 2.688 3.546 . 0 0 "[ . 1 . 2]" 1
711 1 7 VAL MG2 1 48 ALA HA . . 3.020 2.156 1.986 2.334 . 0 0 "[ . 1 . 2]" 1
712 1 7 VAL H 1 7 VAL MG2 . . 2.970 2.004 1.927 2.094 . 0 0 "[ . 1 . 2]" 1
713 1 6 ALA MB 1 7 VAL MG2 . . 3.220 3.318 3.270 3.352 0.132 14 0 "[ . 1 . 2]" 1
714 1 6 ALA H 1 7 VAL MG2 . . 3.340 3.413 3.384 3.456 0.116 6 0 "[ . 1 . 2]" 1
715 1 4 CYS HA 1 7 VAL MG2 . . 3.480 2.017 1.896 2.140 . 0 0 "[ . 1 . 2]" 1
716 1 7 VAL MG2 1 8 THR H . . 3.730 3.684 3.641 3.740 0.010 6 0 "[ . 1 . 2]" 1
717 1 7 VAL HA 1 7 VAL MG2 . . 2.860 2.463 2.454 2.478 . 0 0 "[ . 1 . 2]" 1
718 1 7 VAL MG2 1 48 ALA MB . . 2.960 2.675 2.172 2.971 0.011 14 0 "[ . 1 . 2]" 1
719 1 59 ILE HA 1 59 ILE HG12 . . 3.610 2.684 2.647 2.721 . 0 0 "[ . 1 . 2]" 1
720 1 59 ILE HA 1 60 THR H . . 2.810 2.166 2.139 2.228 . 0 0 "[ . 1 . 2]" 1
721 1 18 LEU H 1 18 LEU HB3 . . 3.690 3.574 3.564 3.580 . 0 0 "[ . 1 . 2]" 1
722 1 18 LEU HB3 1 19 THR H . . 4.350 3.928 3.821 4.159 . 0 0 "[ . 1 . 2]" 1
723 1 6 ALA HA 1 9 SER HB2 . . 3.170 2.488 2.105 3.181 0.011 17 0 "[ . 1 . 2]" 1
724 1 6 ALA HA 1 7 VAL H . . 3.900 3.421 3.384 3.441 . 0 0 "[ . 1 . 2]" 1
725 1 6 ALA HA 1 9 SER H . . 4.070 3.539 3.428 3.633 . 0 0 "[ . 1 . 2]" 1
726 1 6 ALA HA 1 10 ASP H . . 3.640 3.676 3.646 3.735 0.095 6 0 "[ . 1 . 2]" 1
727 1 75 GLY HA2 1 76 VAL H . . 3.790 2.664 2.431 3.486 . 0 0 "[ . 1 . 2]" 1
728 1 13 PRO HB2 1 28 CYS HB2 . . 4.390 2.655 2.578 2.771 . 0 0 "[ . 1 . 2]" 1
729 1 13 PRO HB2 1 28 CYS H . . 4.120 3.552 3.460 3.610 . 0 0 "[ . 1 . 2]" 1
730 1 13 PRO HB2 1 14 CYS H . . 4.230 3.716 3.671 3.785 . 0 0 "[ . 1 . 2]" 1
731 1 49 CYS H 1 49 CYS HB2 . . 3.120 2.473 2.292 2.565 . 0 0 "[ . 1 . 2]" 1
732 1 49 CYS HB2 1 50 ASN H . . 3.680 3.596 3.408 3.718 0.038 13 0 "[ . 1 . 2]" 1
733 1 49 CYS HB2 1 88 CYS HB2 . . 4.000 3.988 3.756 4.084 0.084 15 0 "[ . 1 . 2]" 1
734 1 37 ALA H 1 37 ALA MB . . 2.700 2.217 2.144 2.238 . 0 0 "[ . 1 . 2]" 1
735 1 37 ALA HA 1 37 ALA MB . . 2.580 2.124 2.109 2.128 . 0 0 "[ . 1 . 2]" 1
736 1 46 GLN QG 1 47 ALA H . . 3.990 3.981 3.924 4.034 0.044 18 0 "[ . 1 . 2]" 1
737 1 46 GLN HE21 1 46 GLN QG . . 3.240 2.253 2.093 2.730 . 0 0 "[ . 1 . 2]" 1
738 1 46 GLN H 1 46 GLN QG . . 3.270 2.080 1.986 2.390 . 0 0 "[ . 1 . 2]" 1
739 1 43 PRO HB3 1 43 PRO HD2 . . 4.040 3.873 3.872 3.874 . 0 0 "[ . 1 . 2]" 1
740 1 43 PRO HD2 1 44 ASP H . . 4.120 2.802 2.693 2.847 . 0 0 "[ . 1 . 2]" 1
741 1 43 PRO HB2 1 43 PRO HD2 . . 4.000 4.044 4.043 4.044 0.044 13 0 "[ . 1 . 2]" 1
742 1 42 THR HB 1 43 PRO HD2 . . 3.500 2.597 2.530 2.626 . 0 0 "[ . 1 . 2]" 1
743 1 42 THR H 1 43 PRO HD2 . . 4.060 1.878 1.789 1.922 . 0 0 "[ . 1 . 2]" 1
744 1 11 LEU H 1 11 LEU HB3 . . 3.690 3.615 3.590 3.631 . 0 0 "[ . 1 . 2]" 1
745 1 11 LEU HB3 1 14 CYS H . . 4.570 4.075 4.026 4.128 . 0 0 "[ . 1 . 2]" 1
746 1 11 LEU HB3 1 12 SER H . . 4.310 4.309 4.282 4.319 0.009 15 0 "[ . 1 . 2]" 1
747 1 74 CYS HA 1 75 GLY H . . 3.980 3.150 3.027 3.402 . 0 0 "[ . 1 . 2]" 1
748 1 31 GLY HA2 1 34 LYS HB3 . . 3.560 2.576 2.504 2.649 . 0 0 "[ . 1 . 2]" 1
749 1 31 GLY HA2 1 34 LYS QD . . 4.060 3.774 2.863 3.945 . 0 0 "[ . 1 . 2]" 1
750 1 12 SER H 1 12 SER QB . . 2.800 2.126 2.108 2.154 . 0 0 "[ . 1 . 2]" 1
751 1 12 SER QB 1 13 PRO HD3 . . 2.970 1.975 1.907 2.029 . 0 0 "[ . 1 . 2]" 1
752 1 2 ILE H 1 2 ILE HB . . 3.940 3.656 3.615 3.909 . 0 0 "[ . 1 . 2]" 1
753 1 87 ASN HA 1 88 CYS H . . 4.740 2.170 2.140 2.210 . 0 0 "[ . 1 . 2]" 1
754 1 71 PRO HB3 1 78 ILE MD . . 3.530 2.767 2.137 3.563 0.033 1 0 "[ . 1 . 2]" 1
755 1 71 PRO QG 1 78 ILE MD . . 3.350 2.343 1.838 2.814 . 0 0 "[ . 1 . 2]" 1
756 1 43 PRO HA 1 43 PRO HB3 . . 2.950 2.298 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
757 1 43 PRO HA 1 44 ASP H . . 4.360 3.406 3.381 3.469 . 0 0 "[ . 1 . 2]" 1
758 1 43 PRO HA 1 46 GLN HB2 . . 3.510 2.949 2.824 3.251 . 0 0 "[ . 1 . 2]" 1
759 1 43 PRO HA 1 43 PRO HG2 . . 3.640 3.853 3.852 3.853 0.213 7 0 "[ . 1 . 2]" 1
760 1 43 PRO HA 1 45 ARG H . . 4.380 4.425 4.381 4.474 0.094 11 0 "[ . 1 . 2]" 1
761 1 43 PRO HA 1 46 GLN QG . . 4.010 3.573 2.980 3.748 . 0 0 "[ . 1 . 2]" 1
762 1 43 PRO HA 1 46 GLN H . . 3.920 3.728 3.695 3.787 . 0 0 "[ . 1 . 2]" 1
763 1 83 SER HB3 1 86 THR H . . 4.020 3.157 2.270 4.068 0.048 4 0 "[ . 1 . 2]" 1
764 1 83 SER HB3 1 85 THR H . . 4.020 3.311 2.612 4.150 0.130 19 0 "[ . 1 . 2]" 1
765 1 35 LEU HA 1 39 ALA H . . 4.580 4.615 4.589 4.631 0.051 5 0 "[ . 1 . 2]" 1
766 1 35 LEU HA 1 38 ALA H . . 3.880 3.642 3.585 3.690 . 0 0 "[ . 1 . 2]" 1
767 1 35 LEU HA 1 36 LEU H . . 3.980 3.564 3.561 3.566 . 0 0 "[ . 1 . 2]" 1
768 1 35 LEU HA 1 35 LEU HG . . 3.630 3.428 3.367 3.471 . 0 0 "[ . 1 . 2]" 1
769 1 9 SER HA 1 10 ASP H . . 3.960 3.534 3.512 3.544 . 0 0 "[ . 1 . 2]" 1
770 1 15 LEU HA 1 15 LEU MD1 . . 2.910 2.046 1.931 2.107 . 0 0 "[ . 1 . 2]" 1
771 1 15 LEU HB3 1 15 LEU MD1 . . 3.250 3.184 3.181 3.195 . 0 0 "[ . 1 . 2]" 1
772 1 15 LEU MD1 1 19 THR MG . . 2.510 2.535 2.414 2.555 0.045 6 0 "[ . 1 . 2]" 1
773 1 15 LEU HB2 1 15 LEU MD1 . . 3.030 2.331 2.302 2.385 . 0 0 "[ . 1 . 2]" 1
774 1 15 LEU H 1 15 LEU MD1 . . 3.830 3.560 3.505 3.692 . 0 0 "[ . 1 . 2]" 1
775 1 15 LEU MD1 1 59 ILE MD . . 2.840 2.382 2.158 2.575 . 0 0 "[ . 1 . 2]" 1
776 1 1 ALA HA 1 2 ILE H . . 2.800 2.400 2.141 2.825 0.025 3 0 "[ . 1 . 2]" 1
777 1 52 LEU H 1 52 LEU HB2 . . 3.910 2.415 2.149 2.547 . 0 0 "[ . 1 . 2]" 1
778 1 52 LEU HB2 1 53 LYS H . . 4.300 2.705 2.352 3.117 . 0 0 "[ . 1 . 2]" 1
779 1 52 LEU HB3 1 52 LEU MD1 . . 2.560 2.306 2.191 2.614 0.054 11 0 "[ . 1 . 2]" 1
780 1 52 LEU HB2 1 52 LEU MD1 . . 3.240 2.386 2.189 2.472 . 0 0 "[ . 1 . 2]" 1
781 1 53 LYS QE 1 84 THR MG . . 3.240 3.204 2.607 3.375 0.135 18 0 "[ . 1 . 2]" 1
782 1 53 LYS QE 1 86 THR H . . 4.230 4.026 2.549 4.397 0.167 11 0 "[ . 1 . 2]" 1
783 1 50 ASN HA 1 53 LYS QB . . 3.480 2.443 1.980 2.830 . 0 0 "[ . 1 . 2]" 1
784 1 50 ASN HA 1 53 LYS HD3 . . 3.900 3.887 3.173 4.066 0.166 17 0 "[ . 1 . 2]" 1
785 1 50 ASN HA 1 53 LYS H . . 4.370 3.447 3.199 3.933 . 0 0 "[ . 1 . 2]" 1
786 1 10 ASP HA 1 10 ASP HB3 . . 3.120 2.588 2.490 2.634 . 0 0 "[ . 1 . 2]" 1
787 1 36 LEU HA 1 37 ALA H . . 3.880 3.510 3.465 3.537 . 0 0 "[ . 1 . 2]" 1
788 1 36 LEU HA 1 39 ALA H . . 3.960 3.237 3.169 3.276 . 0 0 "[ . 1 . 2]" 1
789 1 36 LEU HA 1 38 ALA H . . 4.210 3.868 3.805 3.925 . 0 0 "[ . 1 . 2]" 1
790 1 36 LEU HA 1 36 LEU HG . . 3.560 2.938 2.894 2.983 . 0 0 "[ . 1 . 2]" 1
791 1 54 SER H 1 54 SER QB . . 3.120 2.245 2.153 2.575 . 0 0 "[ . 1 . 2]" 1
792 1 51 CYS HA 1 54 SER QB . . 3.720 3.343 3.036 3.546 . 0 0 "[ . 1 . 2]" 1
793 1 71 PRO QG 1 72 GLY H . . 3.900 2.480 2.438 2.503 . 0 0 "[ . 1 . 2]" 1
794 1 50 ASN H 1 50 ASN HB2 . . 3.340 2.583 2.525 2.660 . 0 0 "[ . 1 . 2]" 1
795 1 27 GLN H 1 27 GLN HG2 . . 4.390 3.477 3.441 3.741 . 0 0 "[ . 1 . 2]" 1
796 1 3 SER HB3 1 4 CYS H . . 4.330 3.639 3.217 4.114 . 0 0 "[ . 1 . 2]" 1
797 1 3 SER HB3 1 6 ALA H . . 4.310 3.322 2.740 4.305 . 0 0 "[ . 1 . 2]" 1
798 1 3 SER HB3 1 5 GLY H . . 4.600 3.194 2.805 4.472 . 0 0 "[ . 1 . 2]" 1
799 1 3 SER H 1 3 SER HB3 . . 4.130 3.673 3.409 3.828 . 0 0 "[ . 1 . 2]" 1
800 1 22 PRO HB2 1 22 PRO HD3 . . 4.080 3.917 3.917 3.918 . 0 0 "[ . 1 . 2]" 1
801 1 40 ASN H 1 44 ASP HB3 . . 4.450 3.552 3.331 4.026 . 0 0 "[ . 1 . 2]" 1
802 1 41 THR H 1 44 ASP HB3 . . 4.110 3.323 3.103 4.417 0.307 5 0 "[ . 1 . 2]" 1
803 1 44 ASP H 1 44 ASP HB3 . . 3.980 3.489 3.467 3.521 . 0 0 "[ . 1 . 2]" 1
804 1 39 ALA HA 1 44 ASP HB3 . . 3.520 1.962 1.929 2.061 . 0 0 "[ . 1 . 2]" 1
805 1 44 ASP HB3 1 45 ARG H . . 4.220 3.388 3.316 3.468 . 0 0 "[ . 1 . 2]" 1
806 1 30 GLY HA3 1 33 LYS QD . . 4.070 4.082 4.045 4.131 0.061 11 0 "[ . 1 . 2]" 1
807 1 30 GLY HA3 1 31 GLY H . . 3.510 2.801 2.785 2.813 . 0 0 "[ . 1 . 2]" 1
808 1 30 GLY H 1 30 GLY HA3 . . 3.040 2.296 2.295 2.296 . 0 0 "[ . 1 . 2]" 1
809 1 3 SER HA 1 4 CYS H . . 4.910 2.147 2.138 2.167 . 0 0 "[ . 1 . 2]" 1
810 1 61 LYS H 1 61 LYS HB3 . . 3.540 3.581 3.514 3.647 0.107 14 0 "[ . 1 . 2]" 1
811 1 91 VAL HA 1 92 LYS H . . 3.100 2.508 2.203 3.092 . 0 0 "[ . 1 . 2]" 1
812 1 85 THR HA 1 86 THR H . . 3.720 3.364 3.285 3.477 . 0 0 "[ . 1 . 2]" 1
813 1 53 LYS HD2 1 86 THR HB . . 4.860 4.943 4.897 5.006 0.146 4 0 "[ . 1 . 2]" 1
814 1 88 CYS HB2 1 89 ASN H . . 4.390 3.400 3.220 3.543 . 0 0 "[ . 1 . 2]" 1
815 1 50 ASN HD22 1 88 CYS HB2 . . 4.470 3.529 2.889 3.981 . 0 0 "[ . 1 . 2]" 1
816 1 49 CYS HB3 1 88 CYS HB2 . . 3.930 2.468 2.228 2.594 . 0 0 "[ . 1 . 2]" 1
817 1 49 CYS H 1 88 CYS HB2 . . 4.750 4.860 4.772 4.952 0.202 9 0 "[ . 1 . 2]" 1
818 1 50 ASN H 1 88 CYS HB2 . . 4.710 3.081 2.908 3.231 . 0 0 "[ . 1 . 2]" 1
819 1 29 CYS H 1 29 CYS HB2 . . 3.160 2.326 2.225 2.398 . 0 0 "[ . 1 . 2]" 1
820 1 29 CYS HB2 1 30 GLY H . . 3.820 2.877 2.827 2.967 . 0 0 "[ . 1 . 2]" 1
821 1 18 LEU HA 1 20 GLY H . . 4.270 3.575 3.526 3.759 . 0 0 "[ . 1 . 2]" 1
822 1 18 LEU HA 1 18 LEU HG . . 3.760 3.119 3.062 3.167 . 0 0 "[ . 1 . 2]" 1
823 1 18 LEU HA 1 66 ASN HB3 . . 4.040 2.702 2.475 3.461 . 0 0 "[ . 1 . 2]" 1
824 1 18 LEU HA 1 19 THR H . . 4.230 3.421 3.279 3.459 . 0 0 "[ . 1 . 2]" 1
825 1 18 LEU HA 1 18 LEU MD1 . . 3.910 3.811 3.802 3.820 . 0 0 "[ . 1 . 2]" 1
826 1 2 ILE MG 1 48 ALA MB . . 5.990 3.794 3.658 4.076 . 0 0 "[ . 1 . 2]" 1
827 1 48 ALA H 1 48 ALA MB . . 2.770 2.204 2.091 2.240 . 0 0 "[ . 1 . 2]" 1
828 1 48 ALA MB 1 49 CYS H . . 3.080 2.365 2.114 2.678 . 0 0 "[ . 1 . 2]" 1
829 1 35 LEU MD2 1 48 ALA MB . . 3.420 3.473 3.439 3.503 0.083 7 0 "[ . 1 . 2]" 1
830 1 45 ARG HA 1 48 ALA MB . . 3.030 2.567 2.423 2.808 . 0 0 "[ . 1 . 2]" 1
831 1 35 LEU MD1 1 48 ALA MB . . 3.050 2.411 2.182 2.648 . 0 0 "[ . 1 . 2]" 1
832 1 50 ASN HB3 1 50 ASN HD21 . . 3.410 2.947 2.837 3.113 . 0 0 "[ . 1 . 2]" 1
833 1 45 ARG HB3 1 46 GLN H . . 4.500 3.760 3.604 3.876 . 0 0 "[ . 1 . 2]" 1
834 1 60 THR HA 1 62 LEU H . . 4.370 3.569 3.526 3.758 . 0 0 "[ . 1 . 2]" 1
835 1 60 THR HA 1 61 LYS H . . 3.240 3.482 3.475 3.488 0.248 5 0 "[ . 1 . 2]" 1
836 1 77 ASN H 1 77 ASN HB3 . . 3.380 3.628 3.570 3.676 0.296 9 0 "[ . 1 . 2]" 1
837 1 77 ASN HB3 1 78 ILE H . . 4.390 3.472 2.300 3.992 . 0 0 "[ . 1 . 2]" 1
838 1 69 ALA HA 1 70 LEU H . . 3.810 3.337 3.300 3.371 . 0 0 "[ . 1 . 2]" 1
839 1 69 ALA HA 1 72 GLY H . . 4.530 3.135 3.108 3.172 . 0 0 "[ . 1 . 2]" 1
840 1 82 ILE MD 1 84 THR MG . . 4.740 4.890 4.843 4.956 0.216 18 0 "[ . 1 . 2]" 1
841 1 82 ILE HA 1 82 ILE MD . . 3.380 2.085 1.981 2.166 . 0 0 "[ . 1 . 2]" 1
842 1 71 PRO QG 1 82 ILE MD . . 3.720 2.775 2.269 2.916 . 0 0 "[ . 1 . 2]" 1
843 1 60 THR H 1 60 THR HB . . 3.410 2.685 2.598 2.792 . 0 0 "[ . 1 . 2]" 1
844 1 60 THR HB 1 61 LYS H . . 3.760 3.918 3.911 3.922 0.162 17 0 "[ . 1 . 2]" 1
845 1 78 ILE MG 1 80 TYR QD . . 3.250 3.196 2.606 3.307 0.057 12 0 "[ . 1 . 2]" 1
846 1 14 CYS HB3 1 70 LEU MD2 . . 3.820 2.733 2.559 2.833 . 0 0 "[ . 1 . 2]" 1
847 1 70 LEU HB2 1 70 LEU MD2 . . 3.270 2.427 2.348 2.449 . 0 0 "[ . 1 . 2]" 1
848 1 70 LEU HB3 1 70 LEU MD2 . . 3.260 2.227 2.195 2.268 . 0 0 "[ . 1 . 2]" 1
849 1 70 LEU MD2 1 71 PRO HD3 . . 3.860 2.802 2.749 2.881 . 0 0 "[ . 1 . 2]" 1
850 1 14 CYS HB2 1 70 LEU MD2 . . 3.880 3.665 3.540 3.765 . 0 0 "[ . 1 . 2]" 1
851 1 18 LEU MD1 1 70 LEU MD2 . . 3.010 2.004 1.869 2.136 . 0 0 "[ . 1 . 2]" 1
852 1 53 LYS HG2 1 54 SER H . . 4.560 4.507 4.292 4.674 0.114 7 0 "[ . 1 . 2]" 1
853 1 53 LYS H 1 53 LYS HG2 . . 4.310 2.958 2.099 4.445 0.135 7 0 "[ . 1 . 2]" 1
854 1 18 LEU MD2 1 66 ASN H . . 4.330 4.453 4.433 4.478 0.148 6 0 "[ . 1 . 2]" 1
855 1 18 LEU MD2 1 67 ALA H . . 3.730 3.239 3.189 3.299 . 0 0 "[ . 1 . 2]" 1
856 1 18 LEU HB2 1 18 LEU MD2 . . 3.130 3.179 3.177 3.194 0.064 8 0 "[ . 1 . 2]" 1
857 1 17 TYR QE 1 18 LEU MD2 . . 3.820 3.381 3.210 3.705 . 0 0 "[ . 1 . 2]" 1
858 1 18 LEU H 1 18 LEU MD2 . . 3.680 3.448 3.357 3.546 . 0 0 "[ . 1 . 2]" 1
859 1 18 LEU MD2 1 67 ALA HA . . 2.750 1.896 1.870 1.921 . 0 0 "[ . 1 . 2]" 1
860 1 17 TYR QD 1 18 LEU MD2 . . 3.920 2.661 2.461 3.151 . 0 0 "[ . 1 . 2]" 1
861 1 18 LEU MD2 1 70 LEU H . . 4.030 3.961 3.837 4.077 0.047 8 0 "[ . 1 . 2]" 1
862 1 18 LEU HB3 1 18 LEU MD2 . . 3.020 2.374 2.361 2.397 . 0 0 "[ . 1 . 2]" 1
863 1 18 LEU HA 1 18 LEU MD2 . . 2.730 1.940 1.929 1.947 . 0 0 "[ . 1 . 2]" 1
864 1 18 LEU MD2 1 70 LEU MD2 . . 2.790 1.928 1.838 2.022 . 0 0 "[ . 1 . 2]" 1
865 1 62 LEU H 1 62 LEU HB2 . . 3.090 2.622 2.556 2.656 . 0 0 "[ . 1 . 2]" 1
866 1 8 THR HA 1 11 LEU HB2 . . 3.840 2.999 2.685 3.090 . 0 0 "[ . 1 . 2]" 1
867 1 8 THR HA 1 11 LEU H . . 3.830 3.509 3.362 3.585 . 0 0 "[ . 1 . 2]" 1
868 1 8 THR HA 1 52 LEU MD2 . . 3.990 2.075 1.894 2.250 . 0 0 "[ . 1 . 2]" 1
869 1 8 THR HA 1 9 SER H . . 4.070 3.531 3.516 3.550 . 0 0 "[ . 1 . 2]" 1
870 1 8 THR HA 1 8 THR HB . . 3.060 2.435 2.399 2.469 . 0 0 "[ . 1 . 2]" 1
871 1 8 THR HA 1 52 LEU MD1 . . 3.940 3.987 3.957 4.026 0.086 8 0 "[ . 1 . 2]" 1
872 1 35 LEU H 1 35 LEU HG . . 4.240 4.321 4.282 4.385 0.145 15 0 "[ . 1 . 2]" 1
873 1 17 TYR QE 1 23 GLY H . . 5.120 3.873 3.644 4.197 . 0 0 "[ . 1 . 2]" 1
874 1 17 TYR QD 1 23 GLY H . . 5.060 3.039 2.881 3.292 . 0 0 "[ . 1 . 2]" 1
875 1 32 VAL H 1 33 LYS H . . 3.140 2.867 2.847 2.913 . 0 0 "[ . 1 . 2]" 1
876 1 29 CYS HA 1 32 VAL H . . 4.500 3.327 3.290 3.382 . 0 0 "[ . 1 . 2]" 1
877 1 31 GLY H 1 32 VAL H . . 3.140 2.547 2.532 2.565 . 0 0 "[ . 1 . 2]" 1
878 1 66 ASN H 1 67 ALA H . . 3.190 2.455 2.442 2.525 . 0 0 "[ . 1 . 2]" 1
879 1 63 ASN HB3 1 66 ASN H . . 4.550 2.746 2.538 4.217 . 0 0 "[ . 1 . 2]" 1
880 1 89 ASN H 1 89 ASN HD22 . . 4.930 4.584 3.500 5.067 0.137 13 0 "[ . 1 . 2]" 1
881 1 88 CYS H 1 89 ASN H . . 3.690 2.586 2.535 2.663 . 0 0 "[ . 1 . 2]" 1
882 1 89 ASN H 1 89 ASN HD21 . . 4.720 3.682 2.071 4.798 0.078 12 0 "[ . 1 . 2]" 1
883 1 89 ASN H 1 91 VAL H . . 4.490 4.271 3.987 4.547 0.057 19 0 "[ . 1 . 2]" 1
884 1 89 ASN H 1 90 THR H . . 3.050 2.403 2.318 2.529 . 0 0 "[ . 1 . 2]" 1
885 1 87 ASN HA 1 89 ASN H . . 4.350 3.278 3.194 3.409 . 0 0 "[ . 1 . 2]" 1
886 1 67 ALA H 1 68 ALA H . . 3.270 2.504 2.480 2.538 . 0 0 "[ . 1 . 2]" 1
887 1 47 ALA H 1 48 ALA H . . 3.130 2.793 2.679 2.958 . 0 0 "[ . 1 . 2]" 1
888 1 46 GLN H 1 47 ALA H . . 3.180 2.881 2.786 3.012 . 0 0 "[ . 1 . 2]" 1
889 1 52 LEU H 1 53 LYS H . . 4.340 2.542 2.420 2.722 . 0 0 "[ . 1 . 2]" 1
890 1 28 CYS H 1 29 CYS H . . 3.100 2.636 2.620 2.656 . 0 0 "[ . 1 . 2]" 1
891 1 29 CYS H 1 32 VAL MG2 . . 4.440 4.132 4.093 4.189 . 0 0 "[ . 1 . 2]" 1
892 1 29 CYS H 1 30 GLY H . . 3.290 2.799 2.786 2.810 . 0 0 "[ . 1 . 2]" 1
893 1 25 SER HG 1 28 CYS H . . 3.880 2.826 2.216 3.364 . 0 0 "[ . 1 . 2]" 1
894 1 25 SER H 1 28 CYS H . . 4.120 4.246 4.209 4.283 0.163 8 0 "[ . 1 . 2]" 1
895 1 27 GLN H 1 28 CYS H . . 3.140 2.435 2.427 2.441 . 0 0 "[ . 1 . 2]" 1
896 1 33 LYS H 1 34 LYS H . . 3.310 2.674 2.645 2.783 . 0 0 "[ . 1 . 2]" 1
897 1 29 CYS HA 1 33 LYS H . . 5.030 4.117 3.958 4.190 . 0 0 "[ . 1 . 2]" 1
898 1 44 ASP HA 1 48 ALA H . . 5.090 4.039 3.727 4.265 . 0 0 "[ . 1 . 2]" 1
899 1 53 LYS H 1 54 SER H . . 3.610 2.767 2.590 3.019 . 0 0 "[ . 1 . 2]" 1
900 1 54 SER H 1 55 ALA H . . 3.720 2.636 2.508 2.829 . 0 0 "[ . 1 . 2]" 1
901 1 53 LYS QB 1 56 ALA H . . 4.780 4.763 4.633 4.822 0.042 15 0 "[ . 1 . 2]" 1
902 1 56 ALA H 1 58 SER H . . 3.920 4.043 3.993 4.094 0.174 3 0 "[ . 1 . 2]" 1
903 1 63 ASN H 1 64 THR H . . 4.670 3.959 3.666 4.063 . 0 0 "[ . 1 . 2]" 1
904 1 20 GLY H 1 66 ASN HD22 . . 4.340 3.534 3.162 4.401 0.061 8 0 "[ . 1 . 2]" 1
905 1 20 GLY H 1 66 ASN HD21 . . 4.170 2.747 2.074 4.058 . 0 0 "[ . 1 . 2]" 1
906 1 19 THR MG 1 20 GLY H . . 4.700 4.331 4.311 4.342 . 0 0 "[ . 1 . 2]" 1
907 1 20 GLY H 1 21 GLY H . . 3.140 2.561 2.488 2.639 . 0 0 "[ . 1 . 2]" 1
908 1 16 THR H 1 17 TYR H . . 3.570 3.026 2.995 3.057 . 0 0 "[ . 1 . 2]" 1
909 1 40 ASN H 1 41 THR H . . 3.990 2.125 1.880 2.238 . 0 0 "[ . 1 . 2]" 1
910 1 38 ALA MB 1 40 ASN H . . 5.020 4.489 4.382 4.742 . 0 0 "[ . 1 . 2]" 1
911 1 40 ASN H 1 40 ASN HB2 . . 4.360 2.816 2.234 3.858 . 0 0 "[ . 1 . 2]" 1
912 1 48 ALA H 1 49 CYS H . . 3.300 2.924 2.814 3.025 . 0 0 "[ . 1 . 2]" 1
913 1 47 ALA HA 1 49 CYS H . . 5.150 4.602 4.280 4.982 . 0 0 "[ . 1 . 2]" 1
914 1 47 ALA MB 1 49 CYS H . . 4.720 4.596 4.289 4.761 0.041 19 0 "[ . 1 . 2]" 1
915 1 39 ALA H 1 40 ASN H . . 3.890 3.810 3.728 3.911 0.021 5 0 "[ . 1 . 2]" 1
916 1 38 ALA H 1 39 ALA H . . 3.190 2.373 2.334 2.404 . 0 0 "[ . 1 . 2]" 1
917 1 14 CYS H 1 14 CYS HB3 . . 3.560 3.637 3.629 3.650 0.090 15 0 "[ . 1 . 2]" 1
918 1 14 CYS H 1 15 LEU H . . 2.920 2.258 2.208 2.294 . 0 0 "[ . 1 . 2]" 1
919 1 68 ALA H 1 69 ALA H . . 3.160 2.497 2.472 2.510 . 0 0 "[ . 1 . 2]" 1
920 1 56 ALA H 1 57 GLY H . . 3.560 2.369 2.266 2.507 . 0 0 "[ . 1 . 2]" 1
921 1 55 ALA HA 1 57 GLY H . . 5.000 4.125 3.991 4.224 . 0 0 "[ . 1 . 2]" 1
922 1 18 LEU H 1 20 GLY H . . 4.650 4.376 4.285 4.714 0.064 20 0 "[ . 1 . 2]" 1
923 1 17 TYR H 1 18 LEU H . . 3.270 2.641 2.619 2.669 . 0 0 "[ . 1 . 2]" 1
924 1 18 LEU H 1 19 THR H . . 3.440 2.513 2.484 2.538 . 0 0 "[ . 1 . 2]" 1
925 1 36 LEU MD1 1 77 ASN H . . 4.510 4.477 4.006 4.582 0.072 15 0 "[ . 1 . 2]" 1
926 1 85 THR H 1 86 THR H . . 3.090 2.346 2.176 2.543 . 0 0 "[ . 1 . 2]" 1
927 1 86 THR H 1 87 ASN H . . 4.700 4.604 4.571 4.617 . 0 0 "[ . 1 . 2]" 1
928 1 58 SER H 1 59 ILE H . . 2.960 2.467 2.410 2.540 . 0 0 "[ . 1 . 2]" 1
929 1 62 LEU H 1 63 ASN H . . 4.720 4.537 4.505 4.634 . 0 0 "[ . 1 . 2]" 1
930 1 61 LYS H 1 62 LEU H . . 3.430 2.593 2.439 2.661 . 0 0 "[ . 1 . 2]" 1
931 1 11 LEU H 1 12 SER H . . 2.940 2.515 2.419 2.651 . 0 0 "[ . 1 . 2]" 1
932 1 5 GLY H 1 6 ALA H . . 3.650 2.705 2.590 2.881 . 0 0 "[ . 1 . 2]" 1
933 1 75 GLY H 1 76 VAL H . . 3.110 2.958 2.286 3.131 0.021 11 0 "[ . 1 . 2]" 1
934 1 57 GLY H 1 59 ILE H . . 4.950 4.086 4.051 4.112 . 0 0 "[ . 1 . 2]" 1
935 1 59 ILE H 1 60 THR H . . 4.330 4.444 4.337 4.518 0.188 2 0 "[ . 1 . 2]" 1
936 1 73 LYS H 1 74 CYS H . . 3.170 2.572 2.479 2.662 . 0 0 "[ . 1 . 2]" 1
937 1 74 CYS H 1 75 GLY H . . 3.170 2.584 2.346 2.709 . 0 0 "[ . 1 . 2]" 1
938 1 34 LYS H 1 35 LEU H . . 3.320 2.659 2.645 2.704 . 0 0 "[ . 1 . 2]" 1
939 1 8 THR H 1 9 SER H . . 3.400 2.512 2.474 2.544 . 0 0 "[ . 1 . 2]" 1
940 1 50 ASN H 1 51 CYS H . . 4.070 2.852 2.758 3.048 . 0 0 "[ . 1 . 2]" 1
941 1 50 ASN H 1 50 ASN HB3 . . 3.840 3.595 3.591 3.599 . 0 0 "[ . 1 . 2]" 1
942 1 10 ASP H 1 11 LEU H . . 3.280 2.669 2.604 2.705 . 0 0 "[ . 1 . 2]" 1
943 1 9 SER H 1 10 ASP H . . 3.300 2.743 2.656 2.810 . 0 0 "[ . 1 . 2]" 1
944 1 36 LEU H 1 37 ALA H . . 3.430 2.619 2.586 2.696 . 0 0 "[ . 1 . 2]" 1
945 1 4 CYS H 1 5 GLY H . . 4.550 2.790 2.746 2.844 . 0 0 "[ . 1 . 2]" 1
946 1 83 SER HA 1 85 THR H . . 4.510 3.466 3.305 3.593 . 0 0 "[ . 1 . 2]" 1
947 1 84 THR H 1 85 THR H . . 3.580 2.636 2.573 2.684 . 0 0 "[ . 1 . 2]" 1
948 1 25 SER H 1 25 SER HG . . 4.670 3.205 2.693 4.036 . 0 0 "[ . 1 . 2]" 1
949 1 78 ILE H 1 78 ILE MG . . 4.190 3.909 3.485 3.966 . 0 0 "[ . 1 . 2]" 1
950 1 17 TYR QE 1 70 LEU H . . 4.300 3.625 3.358 4.251 . 0 0 "[ . 1 . 2]" 1
951 1 69 ALA H 1 70 LEU H . . 2.990 2.382 2.351 2.420 . 0 0 "[ . 1 . 2]" 1
952 1 15 LEU H 1 16 THR H . . 3.460 2.905 2.890 2.932 . 0 0 "[ . 1 . 2]" 1
953 1 7 VAL H 1 8 THR H . . 3.890 2.681 2.579 2.754 . 0 0 "[ . 1 . 2]" 1
954 1 87 ASN HB2 1 90 THR H . . 4.620 4.704 4.634 4.839 0.219 12 0 "[ . 1 . 2]" 1
955 1 90 THR H 1 91 VAL H . . 3.530 2.673 2.284 3.068 . 0 0 "[ . 1 . 2]" 1
956 1 21 GLY H 1 66 ASN HD21 . . 4.810 4.411 4.189 4.801 . 0 0 "[ . 1 . 2]" 1
957 1 19 THR H 1 21 GLY H . . 3.390 2.991 2.724 3.114 . 0 0 "[ . 1 . 2]" 1
958 1 25 SER HG 1 27 GLN H . . 4.200 3.579 2.328 4.061 . 0 0 "[ . 1 . 2]" 1
959 1 27 GLN H 1 27 GLN HE22 . . 5.180 5.077 5.021 5.182 0.002 2 0 "[ . 1 . 2]" 1
960 1 27 GLN H 1 28 CYS HB3 . . 4.850 4.340 4.323 4.359 . 0 0 "[ . 1 . 2]" 1
961 1 27 GLN H 1 27 GLN HE21 . . 4.520 3.548 3.426 4.538 0.018 19 0 "[ . 1 . 2]" 1
962 1 41 THR H 1 45 ARG H . . 4.870 4.214 4.010 4.322 . 0 0 "[ . 1 . 2]" 1
963 1 44 ASP H 1 45 ARG H . . 3.330 2.321 2.305 2.366 . 0 0 "[ . 1 . 2]" 1
964 1 44 ASP HA 1 45 ARG H . . 4.450 3.519 3.502 3.529 . 0 0 "[ . 1 . 2]" 1
965 1 13 PRO HA 1 16 THR H . . 4.220 4.229 4.199 4.245 0.025 12 0 "[ . 1 . 2]" 1
966 1 91 VAL H 1 92 LYS H . . 4.840 4.157 2.592 4.634 . 0 0 "[ . 1 . 2]" 1
967 1 65 ASN H 1 66 ASN H . . 3.150 2.679 2.649 2.786 . 0 0 "[ . 1 . 2]" 1
968 1 64 THR H 1 65 ASN H . . 3.340 2.764 2.736 2.783 . 0 0 "[ . 1 . 2]" 1
969 1 30 GLY H 1 31 GLY H . . 3.330 2.831 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
970 1 76 VAL H 1 77 ASN H . . 4.560 4.455 4.378 4.603 0.043 20 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 281.548
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0472
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0587
_Distance_constraint_stats_list.Viol_average_violations_only 0.0823
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 CYS 2.937 0.130 15 0 "[ . 1 . 2]"
1 14 CYS 3.704 0.103 19 0 "[ . 1 . 2]"
1 28 CYS 3.704 0.103 19 0 "[ . 1 . 2]"
1 29 CYS 4.331 0.116 10 0 "[ . 1 . 2]"
1 49 CYS 3.105 0.123 1 0 "[ . 1 . 2]"
1 51 CYS 2.937 0.130 15 0 "[ . 1 . 2]"
1 74 CYS 4.331 0.116 10 0 "[ . 1 . 2]"
1 88 CYS 3.105 0.123 1 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 CYS SG 1 51 CYS SG . . 2.000 2.048 1.961 2.102 0.102 11 0 "[ . 1 . 2]" 2
2 1 4 CYS SG 1 51 CYS CB . . 3.000 3.046 2.997 3.130 0.130 15 0 "[ . 1 . 2]" 2
3 1 4 CYS CB 1 51 CYS SG . . 3.000 3.049 2.999 3.109 0.109 6 0 "[ . 1 . 2]" 2
4 1 14 CYS SG 1 28 CYS SG . . 2.000 2.095 2.015 2.103 0.103 13 0 "[ . 1 . 2]" 2
5 1 14 CYS SG 1 28 CYS CB . . 3.000 3.090 3.060 3.103 0.103 19 0 "[ . 1 . 2]" 2
6 1 14 CYS CB 1 28 CYS SG . . 3.000 2.990 2.983 2.996 . 0 0 "[ . 1 . 2]" 2
7 1 29 CYS SG 1 74 CYS SG . . 2.000 1.997 1.987 2.049 0.049 20 0 "[ . 1 . 2]" 2
8 1 29 CYS SG 1 74 CYS CB . . 3.000 3.104 3.096 3.108 0.108 12 0 "[ . 1 . 2]" 2
9 1 29 CYS CB 1 74 CYS SG . . 3.000 3.110 3.103 3.116 0.116 10 0 "[ . 1 . 2]" 2
10 1 49 CYS SG 1 88 CYS SG . . 2.000 1.990 1.978 1.995 . 0 0 "[ . 1 . 2]" 2
11 1 49 CYS SG 1 88 CYS CB . . 3.000 3.075 2.996 3.114 0.114 3 0 "[ . 1 . 2]" 2
12 1 49 CYS CB 1 88 CYS SG . . 3.000 3.080 2.999 3.123 0.123 1 0 "[ . 1 . 2]" 2
stop_
save_
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