NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602859 |
5ird   |
30034 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ird
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 995
_Distance_constraint_stats_list.Viol_count 779
_Distance_constraint_stats_list.Viol_total 138.414
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0089
_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 5 MET 0.010 0.005 4 0 "[ . 1 . 2]"
1 7 GLU 0.074 0.010 17 0 "[ . 1 . 2]"
1 8 THR 0.005 0.005 1 0 "[ . 1 . 2]"
1 9 SER 0.005 0.005 1 0 "[ . 1 . 2]"
1 10 ALA 0.032 0.015 12 0 "[ . 1 . 2]"
1 11 PRO 0.037 0.015 12 0 "[ . 1 . 2]"
1 12 ALA 0.005 0.005 13 0 "[ . 1 . 2]"
1 13 GLU 0.021 0.021 3 0 "[ . 1 . 2]"
1 14 GLU 0.016 0.006 20 0 "[ . 1 . 2]"
1 15 LEU 0.012 0.006 8 0 "[ . 1 . 2]"
1 16 LEU 0.048 0.031 20 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 2 0 "[ . 1 . 2]"
1 18 ASP 0.041 0.011 15 0 "[ . 1 . 2]"
1 19 VAL 0.158 0.010 18 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.043 0.013 18 0 "[ . 1 . 2]"
1 23 MET 0.397 0.030 9 0 "[ . 1 . 2]"
1 24 ARG 0.253 0.018 10 0 "[ . 1 . 2]"
1 25 ASP 0.793 0.067 19 0 "[ . 1 . 2]"
1 26 VAL 0.962 0.067 19 0 "[ . 1 . 2]"
1 27 VAL 0.068 0.012 5 0 "[ . 1 . 2]"
1 28 ASP 0.230 0.014 5 0 "[ . 1 . 2]"
1 29 PRO 0.215 0.013 5 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.015 0.006 14 0 "[ . 1 . 2]"
1 33 ILE 0.286 0.024 10 0 "[ . 1 . 2]"
1 34 ASN 0.224 0.024 10 0 "[ . 1 . 2]"
1 35 VAL 0.143 0.014 5 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.172 0.026 14 0 "[ . 1 . 2]"
1 41 VAL 0.048 0.026 14 0 "[ . 1 . 2]"
1 42 TYR 0.070 0.016 20 0 "[ . 1 . 2]"
1 43 GLY 0.002 0.002 19 0 "[ . 1 . 2]"
1 44 LEU 0.019 0.008 12 0 "[ . 1 . 2]"
1 45 ASP 0.123 0.021 9 0 "[ . 1 . 2]"
1 46 VAL 0.371 0.033 16 0 "[ . 1 . 2]"
1 47 GLN 0.108 0.026 10 0 "[ . 1 . 2]"
1 48 ASP 0.079 0.036 5 0 "[ . 1 . 2]"
1 49 GLY 0.086 0.036 5 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.006 0.004 4 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.110 0.016 15 0 "[ . 1 . 2]"
1 54 VAL 0.128 0.016 15 0 "[ . 1 . 2]"
1 55 ALA 0.443 0.033 16 0 "[ . 1 . 2]"
1 56 LEU 0.333 0.049 16 0 "[ . 1 . 2]"
1 57 ILE 0.066 0.009 20 0 "[ . 1 . 2]"
1 58 ASP 0.222 0.032 14 0 "[ . 1 . 2]"
1 59 MET 0.204 0.029 8 0 "[ . 1 . 2]"
1 60 THR 0.078 0.046 16 0 "[ . 1 . 2]"
1 61 LEU 0.314 0.015 12 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.057 0.014 20 0 "[ . 1 . 2]"
1 64 ALA 0.014 0.014 20 0 "[ . 1 . 2]"
1 65 ALA 0.002 0.002 6 0 "[ . 1 . 2]"
1 66 CYS 0.011 0.006 8 0 "[ . 1 . 2]"
1 67 PRO 0.003 0.003 15 0 "[ . 1 . 2]"
1 68 LEU 0.057 0.011 17 0 "[ . 1 . 2]"
1 69 THR 0.165 0.012 9 0 "[ . 1 . 2]"
1 70 ASP 0.053 0.011 20 0 "[ . 1 . 2]"
1 71 VAL 0.008 0.002 2 0 "[ . 1 . 2]"
1 72 ILE 0.611 0.033 9 0 "[ . 1 . 2]"
1 73 GLU 0.341 0.020 11 0 "[ . 1 . 2]"
1 74 ASP 0.033 0.017 17 0 "[ . 1 . 2]"
1 75 GLN 0.174 0.033 11 0 "[ . 1 . 2]"
1 76 SER 0.009 0.006 14 0 "[ . 1 . 2]"
1 77 ARG 0.225 0.020 11 0 "[ . 1 . 2]"
1 78 SER 0.023 0.006 18 0 "[ . 1 . 2]"
1 79 ALA 0.021 0.006 13 0 "[ . 1 . 2]"
1 80 LEU 0.008 0.004 4 0 "[ . 1 . 2]"
1 81 VAL 0.085 0.021 17 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.093 0.021 17 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.037 0.011 15 0 "[ . 1 . 2]"
1 86 VAL 0.180 0.067 20 0 "[ . 1 . 2]"
1 87 ASP 0.005 0.005 20 0 "[ . 1 . 2]"
1 88 ASP 0.136 0.067 20 0 "[ . 1 . 2]"
1 89 ILE 0.085 0.010 9 0 "[ . 1 . 2]"
1 90 ARG 0.347 0.049 16 0 "[ . 1 . 2]"
1 91 ILE 0.012 0.006 10 0 "[ . 1 . 2]"
1 92 ASN 0.023 0.006 1 0 "[ . 1 . 2]"
1 93 TRP 0.133 0.011 17 0 "[ . 1 . 2]"
1 94 VAL 0.396 0.032 14 0 "[ . 1 . 2]"
1 95 TRP 0.138 0.014 16 0 "[ . 1 . 2]"
1 96 ASN 0.209 0.021 9 0 "[ . 1 . 2]"
1 99 TRP 0.217 0.013 7 0 "[ . 1 . 2]"
1 100 GLY 0.041 0.011 11 0 "[ . 1 . 2]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LYS 0.076 0.011 11 0 "[ . 1 . 2]"
1 104 ILE 0.014 0.009 10 0 "[ . 1 . 2]"
1 105 THR 0.287 0.044 11 0 "[ . 1 . 2]"
1 106 GLU 0.053 0.013 3 0 "[ . 1 . 2]"
1 107 ASP 0.003 0.003 18 0 "[ . 1 . 2]"
1 108 GLY 0.005 0.003 7 0 "[ . 1 . 2]"
1 109 ARG 0.070 0.015 8 0 "[ . 1 . 2]"
1 110 GLU 0.504 0.080 18 0 "[ . 1 . 2]"
1 111 GLN 0.457 0.080 18 0 "[ . 1 . 2]"
1 112 LEU 0.221 0.034 20 0 "[ . 1 . 2]"
1 113 ARG 0.172 0.029 11 0 "[ . 1 . 2]"
1 114 ALA 0.072 0.034 20 0 "[ . 1 . 2]"
1 115 LEU 0.023 0.010 14 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 0.033 0.031 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ALA MB 1 11 PRO HD2 3.550 . 3.730 1.951 1.798 2.322 0.002 9 0 "[ . 1 . 2]" 1
2 1 10 ALA MB 1 11 PRO HD3 3.550 . 3.730 3.271 2.799 3.526 . 0 0 "[ . 1 . 2]" 1
3 1 10 ALA MB 1 11 PRO HG2 3.750 . 3.940 3.580 3.219 3.955 0.015 12 0 "[ . 1 . 2]" 1
4 1 11 PRO HA 1 12 ALA H 3.250 . 3.410 2.313 2.164 2.613 . 0 0 "[ . 1 . 2]" 1
5 1 10 ALA HA 1 11 PRO HG2 5.020 . 5.270 4.563 4.409 4.735 . 0 0 "[ . 1 . 2]" 1
6 1 10 ALA HA 1 11 PRO HG3 5.360 . 5.630 4.599 4.358 4.774 . 0 0 "[ . 1 . 2]" 1
7 1 11 PRO HG3 1 12 ALA H 5.500 . 5.780 5.237 4.805 5.641 . 0 0 "[ . 1 . 2]" 1
8 1 13 GLU HA 1 13 GLU HG2 4.010 . 4.210 3.420 2.422 3.806 . 0 0 "[ . 1 . 2]" 1
9 1 13 GLU HA 1 13 GLU HG3 4.010 . 4.210 3.083 2.523 4.231 0.021 3 0 "[ . 1 . 2]" 1
10 1 14 GLU HA 1 14 GLU HG2 3.890 . 4.080 3.066 2.476 3.712 . 0 0 "[ . 1 . 2]" 1
11 1 14 GLU HA 1 14 GLU HG3 3.890 . 4.080 3.019 2.507 3.855 . 0 0 "[ . 1 . 2]" 1
12 1 15 LEU HA 1 18 ASP HB3 4.600 . 4.830 3.201 2.362 4.702 . 0 0 "[ . 1 . 2]" 1
13 1 15 LEU HB3 1 16 LEU H 4.330 . 4.550 2.561 2.380 2.740 . 0 0 "[ . 1 . 2]" 1
14 1 15 LEU HB2 1 16 LEU H 4.330 . 4.550 3.835 3.614 3.950 . 0 0 "[ . 1 . 2]" 1
15 1 16 LEU HA 1 16 LEU MD1 3.240 . 3.400 2.158 2.037 3.431 0.031 20 0 "[ . 1 . 2]" 1
16 1 16 LEU HA 1 19 VAL MG1 3.740 . 3.930 2.377 2.194 2.513 . 0 0 "[ . 1 . 2]" 1
17 1 16 LEU HA 1 19 VAL HB 4.410 . 4.630 4.419 4.266 4.630 0.000 2 0 "[ . 1 . 2]" 1
18 1 16 LEU H 1 16 LEU HB3 3.610 . 3.790 2.538 2.321 2.607 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU HA 1 16 LEU HG 4.120 . 4.330 3.185 3.074 3.740 . 0 0 "[ . 1 . 2]" 1
20 1 16 LEU H 1 16 LEU HG 4.450 . 4.670 4.423 2.730 4.543 . 0 0 "[ . 1 . 2]" 1
21 1 17 ALA MB 1 18 ASP H 3.400 . 3.570 2.417 2.331 2.595 . 0 0 "[ . 1 . 2]" 1
22 1 15 LEU HA 1 18 ASP HB2 4.600 . 4.830 3.652 2.564 4.255 . 0 0 "[ . 1 . 2]" 1
23 1 18 ASP HA 1 22 ALA H 4.270 . 4.480 4.024 3.800 4.274 . 0 0 "[ . 1 . 2]" 1
24 1 19 VAL HA 1 22 ALA H 4.200 . 4.410 3.199 2.946 3.572 . 0 0 "[ . 1 . 2]" 1
25 1 19 VAL MG2 1 22 ALA H 4.940 . 5.190 4.598 4.394 4.884 . 0 0 "[ . 1 . 2]" 1
26 1 19 VAL HA 1 19 VAL MG2 3.330 . 3.500 2.253 2.225 2.285 . 0 0 "[ . 1 . 2]" 1
27 1 19 VAL HA 1 19 VAL MG1 3.580 . 3.760 3.220 3.207 3.228 . 0 0 "[ . 1 . 2]" 1
28 1 20 GLU H 1 20 GLU HG2 5.360 . 5.630 4.305 2.548 4.628 . 0 0 "[ . 1 . 2]" 1
29 1 20 GLU H 1 20 GLU HG3 5.360 . 5.630 4.238 2.400 4.559 . 0 0 "[ . 1 . 2]" 1
30 1 19 VAL MG1 1 20 GLU HA 3.530 . 3.710 3.063 2.988 3.116 . 0 0 "[ . 1 . 2]" 1
31 1 19 VAL MG2 1 20 GLU HA 4.370 . 4.590 4.142 3.713 4.362 . 0 0 "[ . 1 . 2]" 1
32 1 21 GLU HG2 1 22 ALA H 5.020 . 5.270 4.407 2.478 5.013 . 0 0 "[ . 1 . 2]" 1
33 1 19 VAL HA 1 22 ALA MB 3.600 . 3.780 2.216 1.987 2.595 . 0 0 "[ . 1 . 2]" 1
34 1 22 ALA H 1 22 ALA MB 3.190 . 3.350 2.238 2.230 2.258 . 0 0 "[ . 1 . 2]" 1
35 1 19 VAL MG2 1 23 MET HB2 4.060 . 4.260 4.082 3.757 4.265 0.005 15 0 "[ . 1 . 2]" 1
36 1 19 VAL MG2 1 23 MET HB3 4.780 . 5.020 4.727 4.427 4.941 . 0 0 "[ . 1 . 2]" 1
37 1 20 GLU HA 1 23 MET HB2 4.820 . 5.060 2.962 2.435 3.261 . 0 0 "[ . 1 . 2]" 1
38 1 22 ALA HA 1 23 MET HB2 5.500 . 5.780 5.733 5.643 5.793 0.013 18 0 "[ . 1 . 2]" 1
39 1 19 VAL MG1 1 23 MET HG2 4.040 . 4.240 3.656 3.373 3.864 . 0 0 "[ . 1 . 2]" 1
40 1 20 GLU HA 1 23 MET HG2 4.830 . 5.070 3.929 3.448 4.240 . 0 0 "[ . 1 . 2]" 1
41 1 19 VAL MG1 1 23 MET HG3 3.540 . 3.720 3.712 3.591 3.729 0.009 15 0 "[ . 1 . 2]" 1
42 1 20 GLU HA 1 23 MET HG3 4.380 . 4.600 3.750 2.999 4.291 . 0 0 "[ . 1 . 2]" 1
43 1 23 MET HA 1 23 MET ME 4.250 . 4.460 3.959 3.849 4.109 . 0 0 "[ . 1 . 2]" 1
44 1 23 MET ME 1 23 MET HG2 3.420 . 3.590 2.505 2.482 2.545 . 0 0 "[ . 1 . 2]" 1
45 1 23 MET ME 1 23 MET HG3 3.430 . 3.600 2.511 2.481 2.554 . 0 0 "[ . 1 . 2]" 1
46 1 19 VAL MG1 1 23 MET ME 3.630 . 3.810 3.777 3.606 3.820 0.010 18 0 "[ . 1 . 2]" 1
47 1 19 VAL MG2 1 23 MET ME 2.830 . 2.970 2.146 2.056 2.272 . 0 0 "[ . 1 . 2]" 1
48 1 25 ASP HB2 1 79 ALA MB 5.210 . 5.470 4.473 3.151 5.475 0.005 6 0 "[ . 1 . 2]" 1
49 1 25 ASP HB3 1 79 ALA MB 5.210 . 5.470 4.662 3.020 5.475 0.005 11 0 "[ . 1 . 2]" 1
50 1 25 ASP H 1 25 ASP HB2 3.830 . 4.020 2.773 2.316 3.801 . 0 0 "[ . 1 . 2]" 1
51 1 23 MET HA 1 26 VAL HB 5.060 . 5.310 3.517 1.798 5.316 0.006 10 0 "[ . 1 . 2]" 1
52 1 27 VAL HB 1 28 ASP H 4.100 . 4.300 4.002 3.920 4.133 . 0 0 "[ . 1 . 2]" 1
53 1 27 VAL H 1 27 VAL MG1 3.700 . 3.890 2.363 2.078 2.874 . 0 0 "[ . 1 . 2]" 1
54 1 27 VAL MG1 1 28 ASP H 4.160 . 4.370 3.214 2.691 3.529 . 0 0 "[ . 1 . 2]" 1
55 1 27 VAL MG1 1 34 ASN HA 4.830 . 5.070 4.578 4.310 4.814 . 0 0 "[ . 1 . 2]" 1
56 1 25 ASP HA 1 27 VAL MG1 5.470 . 5.740 4.110 3.314 4.598 . 0 0 "[ . 1 . 2]" 1
57 1 27 VAL MG1 1 32 GLY HA2 4.930 . 5.180 4.942 4.148 5.184 0.004 19 0 "[ . 1 . 2]" 1
58 1 27 VAL MG2 1 28 ASP H 3.710 . 3.900 1.953 1.795 2.201 0.005 19 0 "[ . 1 . 2]" 1
59 1 27 VAL MG2 1 34 ASN HA 4.020 . 4.220 1.918 1.792 2.274 0.008 5 0 "[ . 1 . 2]" 1
60 1 27 VAL MG2 1 33 ILE HA 4.520 . 4.750 4.311 3.491 4.754 0.004 19 0 "[ . 1 . 2]" 1
61 1 27 VAL MG2 1 32 GLY HA2 4.830 . 5.070 4.051 3.382 4.775 . 0 0 "[ . 1 . 2]" 1
62 1 28 ASP HB3 1 29 PRO HA 5.110 . 5.370 5.124 5.013 5.231 . 0 0 "[ . 1 . 2]" 1
63 1 29 PRO HB3 1 30 GLU H 4.490 . 4.710 4.420 4.246 4.564 . 0 0 "[ . 1 . 2]" 1
64 1 24 ARG HA 1 29 PRO HB3 4.570 . 4.800 4.455 4.040 4.631 . 0 0 "[ . 1 . 2]" 1
65 1 24 ARG HA 1 29 PRO HB2 5.500 . 5.780 5.752 5.334 5.793 0.013 5 0 "[ . 1 . 2]" 1
66 1 24 ARG HA 1 29 PRO HG3 3.900 . 4.100 4.098 3.992 4.113 0.013 13 0 "[ . 1 . 2]" 1
67 1 32 GLY HA2 1 33 ILE MD 3.930 . 4.130 3.822 3.730 4.036 . 0 0 "[ . 1 . 2]" 1
68 1 33 ILE HA 1 33 ILE MD 4.270 . 4.480 3.264 2.973 3.631 . 0 0 "[ . 1 . 2]" 1
69 1 27 VAL HA 1 34 ASN HA 3.840 . 4.030 2.932 2.246 3.773 . 0 0 "[ . 1 . 2]" 1
70 1 36 VAL H 1 36 VAL HB 3.750 . 3.940 2.778 2.488 3.657 . 0 0 "[ . 1 . 2]" 1
71 1 36 VAL HB 1 37 ASP H 4.130 . 4.340 3.530 2.901 4.139 . 0 0 "[ . 1 . 2]" 1
72 1 36 VAL H 1 36 VAL MG1 4.190 . 4.400 2.957 2.079 3.787 . 0 0 "[ . 1 . 2]" 1
73 1 35 VAL HA 1 38 LEU HB2 4.660 . 4.890 4.121 3.701 4.833 . 0 0 "[ . 1 . 2]" 1
74 1 38 LEU HB2 1 39 GLY H 4.380 . 4.600 3.237 2.981 3.434 . 0 0 "[ . 1 . 2]" 1
75 1 38 LEU HB3 1 39 GLY H 4.980 . 5.230 3.963 3.821 4.109 . 0 0 "[ . 1 . 2]" 1
76 1 36 VAL HA 1 41 VAL HB 4.390 . 4.610 2.874 1.864 4.008 . 0 0 "[ . 1 . 2]" 1
77 1 43 GLY HA3 1 44 LEU H 3.530 . 3.710 3.520 3.360 3.562 . 0 0 "[ . 1 . 2]" 1
78 1 44 LEU HB3 1 45 ASP H 4.580 . 4.810 4.008 3.441 4.332 . 0 0 "[ . 1 . 2]" 1
79 1 46 VAL HB 1 55 ALA HA 3.900 . 4.100 3.150 2.533 4.122 0.022 19 0 "[ . 1 . 2]" 1
80 1 46 VAL MG1 1 55 ALA HA 3.850 . 4.040 2.528 1.800 4.050 0.010 20 0 "[ . 1 . 2]" 1
81 1 46 VAL MG2 1 55 ALA HA 3.850 . 4.040 2.951 2.021 4.073 0.033 16 0 "[ . 1 . 2]" 1
82 1 47 GLN HG2 1 56 LEU MD1 4.480 . 4.700 3.464 2.283 4.697 . 0 0 "[ . 1 . 2]" 1
83 1 47 GLN HG3 1 56 LEU MD1 4.480 . 4.700 3.430 1.993 4.618 . 0 0 "[ . 1 . 2]" 1
84 1 47 GLN HG2 1 48 ASP H 5.500 . 5.780 4.670 2.924 5.247 . 0 0 "[ . 1 . 2]" 1
85 1 47 GLN HG3 1 48 ASP H 5.500 . 5.780 4.694 3.012 5.524 . 0 0 "[ . 1 . 2]" 1
86 1 51 GLU HA 1 51 GLU HG2 3.980 . 4.180 3.477 2.630 3.860 . 0 0 "[ . 1 . 2]" 1
87 1 51 GLU HA 1 51 GLU HG3 3.980 . 4.180 3.236 2.497 3.842 . 0 0 "[ . 1 . 2]" 1
88 1 53 THR HA 1 53 THR MG 3.470 . 3.640 2.341 2.218 2.404 . 0 0 "[ . 1 . 2]" 1
89 1 48 ASP HA 1 53 THR MG 3.760 . 3.950 2.376 1.892 3.005 . 0 0 "[ . 1 . 2]" 1
90 1 53 THR HB 1 87 ASP H 4.460 . 4.680 2.839 2.108 4.132 . 0 0 "[ . 1 . 2]" 1
91 1 53 THR HB 1 54 VAL H 4.100 . 4.300 4.234 3.593 4.316 0.016 15 0 "[ . 1 . 2]" 1
92 1 53 THR HB 1 86 VAL HA 4.040 . 4.240 3.121 2.173 4.089 . 0 0 "[ . 1 . 2]" 1
93 1 54 VAL H 1 54 VAL HB 3.790 . 3.980 2.959 2.550 3.743 . 0 0 "[ . 1 . 2]" 1
94 1 54 VAL HB 1 55 ALA H 4.680 . 4.910 4.028 2.839 4.236 . 0 0 "[ . 1 . 2]" 1
95 1 54 VAL HA 1 54 VAL MG2 3.570 . 3.750 2.494 2.375 3.227 . 0 0 "[ . 1 . 2]" 1
96 1 54 VAL MG2 1 55 ALA H 4.120 . 4.330 3.317 2.362 4.166 . 0 0 "[ . 1 . 2]" 1
97 1 54 VAL H 1 54 VAL MG2 4.000 . 4.200 3.150 2.011 3.890 . 0 0 "[ . 1 . 2]" 1
98 1 54 VAL MG2 1 88 ASP HB3 5.810 . 6.100 3.039 1.935 4.810 . 0 0 "[ . 1 . 2]" 1
99 1 54 VAL H 1 54 VAL MG1 4.000 . 4.200 2.830 1.966 3.891 . 0 0 "[ . 1 . 2]" 1
100 1 54 VAL MG1 1 55 ALA H 4.120 . 4.330 3.447 2.332 4.119 . 0 0 "[ . 1 . 2]" 1
101 1 54 VAL HA 1 54 VAL MG1 3.570 . 3.750 2.803 2.349 3.230 . 0 0 "[ . 1 . 2]" 1
102 1 54 VAL MG1 1 88 ASP HB3 5.810 . 6.100 3.875 1.975 5.257 . 0 0 "[ . 1 . 2]" 1
103 1 55 ALA H 1 55 ALA MB 3.450 . 3.620 2.317 2.268 2.375 . 0 0 "[ . 1 . 2]" 1
104 1 55 ALA MB 1 56 LEU H 3.690 . 3.870 3.310 2.580 3.472 . 0 0 "[ . 1 . 2]" 1
105 1 54 VAL HA 1 55 ALA MB 4.190 . 4.400 3.976 3.929 4.020 . 0 0 "[ . 1 . 2]" 1
106 1 55 ALA MB 1 89 ILE MG 3.740 . 3.930 2.277 1.800 2.996 0.000 13 0 "[ . 1 . 2]" 1
107 1 57 ILE MD 1 58 ASP H 5.060 . 5.310 5.037 3.882 5.319 0.009 20 0 "[ . 1 . 2]" 1
108 1 57 ILE HA 1 57 ILE MD 4.350 . 4.570 3.577 2.115 3.884 . 0 0 "[ . 1 . 2]" 1
109 1 57 ILE HB 1 57 ILE MD 3.420 . 3.590 2.559 2.325 3.247 . 0 0 "[ . 1 . 2]" 1
110 1 57 ILE H 1 57 ILE MG 4.310 . 4.530 3.895 3.822 3.971 . 0 0 "[ . 1 . 2]" 1
111 1 44 LEU HA 1 57 ILE MG 4.460 . 4.680 3.819 3.409 4.159 . 0 0 "[ . 1 . 2]" 1
112 1 57 ILE MG 1 59 MET HA 5.040 . 5.290 4.253 4.014 4.419 . 0 0 "[ . 1 . 2]" 1
113 1 41 VAL HA 1 57 ILE MG 4.600 . 4.830 3.368 2.825 3.917 . 0 0 "[ . 1 . 2]" 1
114 1 57 ILE MG 1 59 MET HG2 3.980 . 4.180 2.880 1.888 3.229 . 0 0 "[ . 1 . 2]" 1
115 1 57 ILE H 1 57 ILE HG13 4.490 . 4.710 3.046 2.394 4.162 . 0 0 "[ . 1 . 2]" 1
116 1 56 LEU H 1 56 LEU HG 4.020 . 4.220 2.329 2.122 2.988 . 0 0 "[ . 1 . 2]" 1
117 1 55 ALA HA 1 56 LEU HG 4.100 . 4.300 3.887 3.649 4.153 . 0 0 "[ . 1 . 2]" 1
118 1 46 VAL HA 1 56 LEU HG 4.390 . 4.610 3.393 2.780 3.899 . 0 0 "[ . 1 . 2]" 1
119 1 55 ALA H 1 56 LEU HG 5.500 . 5.780 5.306 4.978 5.609 . 0 0 "[ . 1 . 2]" 1
120 1 56 LEU H 1 56 LEU MD2 4.330 . 4.550 3.212 2.989 3.686 . 0 0 "[ . 1 . 2]" 1
121 1 56 LEU MD2 1 57 ILE H 4.190 . 4.400 3.940 3.699 4.171 . 0 0 "[ . 1 . 2]" 1
122 1 56 LEU HA 1 56 LEU MD2 3.540 . 3.720 2.189 2.077 2.347 . 0 0 "[ . 1 . 2]" 1
123 1 55 ALA HA 1 56 LEU MD2 4.630 . 4.860 4.294 3.890 4.683 . 0 0 "[ . 1 . 2]" 1
124 1 56 LEU MD2 1 90 ARG HB3 3.730 . 3.920 2.161 1.791 3.784 0.009 16 0 "[ . 1 . 2]" 1
125 1 56 LEU MD1 1 57 ILE H 5.210 . 5.470 5.225 4.905 5.475 0.005 19 0 "[ . 1 . 2]" 1
126 1 58 ASP HA 1 92 ASN HB2 4.730 . 4.970 4.127 3.373 4.835 . 0 0 "[ . 1 . 2]" 1
127 1 58 ASP HA 1 92 ASN HB3 4.730 . 4.970 3.200 1.990 4.976 0.006 9 0 "[ . 1 . 2]" 1
128 1 59 MET HB2 1 60 THR H 4.690 . 4.920 3.551 3.464 3.749 . 0 0 "[ . 1 . 2]" 1
129 1 59 MET HB3 1 60 THR H 4.690 . 4.920 2.256 2.168 2.443 . 0 0 "[ . 1 . 2]" 1
130 1 59 MET HB2 1 72 ILE MD 4.400 . 4.620 3.575 2.925 4.624 0.004 12 0 "[ . 1 . 2]" 1
131 1 59 MET HB2 1 91 ILE MG 4.260 . 4.470 2.260 1.965 2.677 . 0 0 "[ . 1 . 2]" 1
132 1 59 MET HB3 1 72 ILE MD 4.400 . 4.620 3.612 2.768 4.614 . 0 0 "[ . 1 . 2]" 1
133 1 59 MET HG2 1 91 ILE MG 4.290 . 4.500 3.896 3.283 4.314 . 0 0 "[ . 1 . 2]" 1
134 1 59 MET HG3 1 91 ILE MG 4.290 . 4.500 2.677 2.293 3.011 . 0 0 "[ . 1 . 2]" 1
135 1 57 ILE MG 1 59 MET HG3 3.980 . 4.180 1.953 1.802 2.653 . 0 0 "[ . 1 . 2]" 1
136 1 41 VAL HA 1 59 MET HG3 5.230 . 5.490 4.244 3.167 5.287 . 0 0 "[ . 1 . 2]" 1
137 1 41 VAL HA 1 59 MET HG2 5.230 . 5.490 3.529 2.499 4.336 . 0 0 "[ . 1 . 2]" 1
138 1 59 MET ME 1 60 THR H 4.390 . 4.610 3.547 2.273 4.379 . 0 0 "[ . 1 . 2]" 1
139 1 59 MET HA 1 59 MET ME 4.560 . 4.790 3.927 3.358 4.429 . 0 0 "[ . 1 . 2]" 1
140 1 59 MET ME 1 69 THR HA 5.150 . 5.410 5.203 4.826 5.422 0.012 9 0 "[ . 1 . 2]" 1
141 1 59 MET ME 1 72 ILE HB 3.430 . 3.600 2.459 1.975 2.948 . 0 0 "[ . 1 . 2]" 1
142 1 59 MET ME 1 72 ILE MD 2.900 . 3.050 2.186 1.824 2.655 . 0 0 "[ . 1 . 2]" 1
143 1 65 ALA MB 1 66 CYS H 3.940 . 4.140 3.189 2.592 3.501 . 0 0 "[ . 1 . 2]" 1
144 1 66 CYS HB2 1 67 PRO HD2 4.350 . 4.570 4.000 2.788 4.570 0.000 20 0 "[ . 1 . 2]" 1
145 1 66 CYS HB3 1 67 PRO HD2 4.350 . 4.570 3.088 2.436 4.552 . 0 0 "[ . 1 . 2]" 1
146 1 66 CYS HA 1 67 PRO HG2 5.140 . 5.400 4.437 4.328 4.594 . 0 0 "[ . 1 . 2]" 1
147 1 66 CYS HA 1 67 PRO HG3 5.500 . 5.780 4.327 3.753 4.462 . 0 0 "[ . 1 . 2]" 1
148 1 66 CYS H 1 67 PRO HD2 5.300 . 5.570 5.019 4.857 5.452 . 0 0 "[ . 1 . 2]" 1
149 1 66 CYS H 1 67 PRO HD3 5.500 . 5.780 4.750 4.290 4.977 . 0 0 "[ . 1 . 2]" 1
150 1 66 CYS HA 1 67 PRO HD2 3.680 . 3.860 2.390 2.145 3.050 . 0 0 "[ . 1 . 2]" 1
151 1 66 CYS HA 1 67 PRO HD3 3.970 . 4.170 2.181 1.797 2.375 0.003 15 0 "[ . 1 . 2]" 1
152 1 68 LEU H 1 69 THR HB 4.370 . 4.590 4.545 4.167 4.601 0.011 17 0 "[ . 1 . 2]" 1
153 1 69 THR HA 1 72 ILE MD 4.380 . 4.600 2.624 2.164 3.677 . 0 0 "[ . 1 . 2]" 1
154 1 69 THR HA 1 72 ILE HB 5.290 . 5.550 4.979 3.998 5.520 . 0 0 "[ . 1 . 2]" 1
155 1 68 LEU H 1 69 THR HA 4.670 . 4.900 4.744 4.351 4.908 0.008 16 0 "[ . 1 . 2]" 1
156 1 68 LEU H 1 69 THR MG 4.110 . 4.320 3.871 3.349 4.250 . 0 0 "[ . 1 . 2]" 1
157 1 71 VAL HA 1 74 ASP HB3 3.690 . 3.870 2.932 2.616 3.302 . 0 0 "[ . 1 . 2]" 1
158 1 59 MET ME 1 72 ILE HA 4.440 . 4.660 4.416 3.772 4.689 0.029 8 0 "[ . 1 . 2]" 1
159 1 72 ILE HA 1 72 ILE MG 3.530 . 3.710 2.314 2.195 2.431 . 0 0 "[ . 1 . 2]" 1
160 1 72 ILE HA 1 74 ASP H 4.750 . 4.990 4.471 4.357 4.785 . 0 0 "[ . 1 . 2]" 1
161 1 72 ILE HA 1 72 ILE MD 3.920 . 4.120 3.976 3.606 4.153 0.033 9 0 "[ . 1 . 2]" 1
162 1 72 ILE HB 1 72 ILE MD 3.550 . 3.730 2.388 2.286 2.577 . 0 0 "[ . 1 . 2]" 1
163 1 72 ILE MD 1 72 ILE MG 3.180 . 3.340 2.351 1.852 3.195 . 0 0 "[ . 1 . 2]" 1
164 1 73 GLU HA 1 73 GLU HG2 3.610 . 3.790 2.433 2.264 2.549 . 0 0 "[ . 1 . 2]" 1
165 1 73 GLU HA 1 91 ILE MD 3.490 . 3.660 2.060 1.799 2.593 0.001 5 0 "[ . 1 . 2]" 1
166 1 73 GLU HA 1 77 ARG H 4.380 . 4.600 3.680 3.445 4.003 . 0 0 "[ . 1 . 2]" 1
167 1 73 GLU HB3 1 77 ARG H 5.080 . 5.330 4.797 4.589 5.298 . 0 0 "[ . 1 . 2]" 1
168 1 70 ASP HA 1 73 GLU HB2 4.160 . 4.370 2.691 2.264 3.139 . 0 0 "[ . 1 . 2]" 1
169 1 70 ASP HA 1 73 GLU HB3 4.240 . 4.450 4.194 3.692 4.457 0.007 6 0 "[ . 1 . 2]" 1
170 1 73 GLU HB2 1 74 ASP HB2 4.550 . 4.780 4.420 4.185 4.797 0.017 17 0 "[ . 1 . 2]" 1
171 1 73 GLU HB2 1 91 ILE MD 4.520 . 4.750 4.162 3.913 4.714 . 0 0 "[ . 1 . 2]" 1
172 1 73 GLU H 1 73 GLU HG2 4.220 . 4.430 3.543 3.043 3.773 . 0 0 "[ . 1 . 2]" 1
173 1 73 GLU HG2 1 77 ARG H 5.500 . 5.780 5.777 5.573 5.800 0.020 11 0 "[ . 1 . 2]" 1
174 1 70 ASP HA 1 73 GLU HG2 5.440 . 5.710 5.124 4.469 5.575 . 0 0 "[ . 1 . 2]" 1
175 1 70 ASP HA 1 73 GLU HG3 4.550 . 4.780 3.902 3.201 4.461 . 0 0 "[ . 1 . 2]" 1
176 1 73 GLU HA 1 73 GLU HG3 4.180 . 4.390 3.083 2.851 3.570 . 0 0 "[ . 1 . 2]" 1
177 1 73 GLU HG3 1 91 ILE MD 4.050 . 4.250 3.108 2.506 3.652 . 0 0 "[ . 1 . 2]" 1
178 1 73 GLU HG3 1 91 ILE HB 4.950 . 5.200 3.912 3.276 4.804 . 0 0 "[ . 1 . 2]" 1
179 1 71 VAL HA 1 74 ASP HB2 3.900 . 4.100 3.789 3.102 4.102 0.002 1 0 "[ . 1 . 2]" 1
180 1 75 GLN HA 1 75 GLN HG2 3.760 . 3.950 2.903 2.502 3.708 . 0 0 "[ . 1 . 2]" 1
181 1 75 GLN HA 1 75 GLN HG3 3.760 . 3.950 3.277 2.797 3.793 . 0 0 "[ . 1 . 2]" 1
182 1 76 SER H 1 76 SER HB3 4.090 . 4.290 2.714 2.503 3.607 . 0 0 "[ . 1 . 2]" 1
183 1 80 LEU H 1 80 LEU HG 3.990 . 4.190 3.123 2.277 3.977 . 0 0 "[ . 1 . 2]" 1
184 1 81 VAL HB 1 82 GLY H 4.040 . 4.240 3.522 3.073 4.089 . 0 0 "[ . 1 . 2]" 1
185 1 85 LEU HA 1 85 LEU HG 4.060 . 4.260 3.002 2.485 3.761 . 0 0 "[ . 1 . 2]" 1
186 1 18 ASP HB2 1 85 LEU MD2 4.600 . 4.830 4.148 3.471 4.837 0.007 1 0 "[ . 1 . 2]" 1
187 1 18 ASP HB3 1 85 LEU MD2 4.600 . 4.830 4.041 3.339 4.654 . 0 0 "[ . 1 . 2]" 1
188 1 18 ASP HB2 1 85 LEU MD1 4.600 . 4.830 3.788 2.670 4.601 . 0 0 "[ . 1 . 2]" 1
189 1 18 ASP HB3 1 85 LEU MD1 4.600 . 4.830 3.509 2.681 4.198 . 0 0 "[ . 1 . 2]" 1
190 1 55 ALA MB 1 86 VAL HB 4.650 . 4.880 3.331 2.923 3.661 . 0 0 "[ . 1 . 2]" 1
191 1 86 VAL MG2 1 87 ASP H 4.220 . 4.430 3.307 1.795 3.696 0.005 20 0 "[ . 1 . 2]" 1
192 1 55 ALA MB 1 86 VAL MG2 3.130 . 3.290 2.288 1.947 2.781 . 0 0 "[ . 1 . 2]" 1
193 1 55 ALA MB 1 86 VAL MG1 3.130 . 3.290 1.911 1.796 2.892 0.004 16 0 "[ . 1 . 2]" 1
194 1 53 THR H 1 87 ASP HB3 4.980 . 5.230 3.509 1.995 5.100 . 0 0 "[ . 1 . 2]" 1
195 1 81 VAL H 1 89 ILE MG 4.740 . 4.980 4.276 3.811 4.753 . 0 0 "[ . 1 . 2]" 1
196 1 80 LEU H 1 89 ILE MG 4.950 . 5.200 4.453 4.051 4.840 . 0 0 "[ . 1 . 2]" 1
197 1 88 ASP HA 1 89 ILE MG 4.370 . 4.590 3.366 3.153 3.646 . 0 0 "[ . 1 . 2]" 1
198 1 77 ARG HA 1 89 ILE MG 4.040 . 4.240 2.696 2.418 2.893 . 0 0 "[ . 1 . 2]" 1
199 1 80 LEU HB2 1 89 ILE MG 3.540 . 3.720 2.604 2.187 3.025 . 0 0 "[ . 1 . 2]" 1
200 1 80 LEU HB3 1 89 ILE MG 3.140 . 3.300 2.936 2.352 3.304 0.004 8 0 "[ . 1 . 2]" 1
201 1 77 ARG HB2 1 89 ILE MG 4.960 . 5.210 4.076 3.601 5.211 0.001 14 0 "[ . 1 . 2]" 1
202 1 77 ARG HB3 1 89 ILE MG 4.960 . 5.210 4.640 3.686 5.217 0.007 20 0 "[ . 1 . 2]" 1
203 1 81 VAL HB 1 89 ILE MG 5.440 . 5.710 4.943 3.635 5.520 . 0 0 "[ . 1 . 2]" 1
204 1 81 VAL H 1 89 ILE MD 5.500 . 5.780 5.249 4.836 5.609 . 0 0 "[ . 1 . 2]" 1
205 1 89 ILE MD 1 90 ARG HA 4.690 . 4.920 4.540 4.148 4.927 0.007 17 0 "[ . 1 . 2]" 1
206 1 73 GLU HG3 1 89 ILE MD 5.500 . 5.780 5.357 4.607 5.790 0.010 9 0 "[ . 1 . 2]" 1
207 1 73 GLU HB3 1 89 ILE MD 5.060 . 5.310 4.018 2.953 5.306 . 0 0 "[ . 1 . 2]" 1
208 1 73 GLU HG2 1 89 ILE MD 5.410 . 5.680 4.139 3.371 4.689 . 0 0 "[ . 1 . 2]" 1
209 1 77 ARG HB2 1 89 ILE MD 4.840 . 5.080 2.634 1.956 4.257 . 0 0 "[ . 1 . 2]" 1
210 1 77 ARG HB3 1 89 ILE MD 4.840 . 5.080 3.196 1.917 4.189 . 0 0 "[ . 1 . 2]" 1
211 1 80 LEU HB2 1 89 ILE MD 4.260 . 4.470 3.721 3.081 4.474 0.004 4 0 "[ . 1 . 2]" 1
212 1 89 ILE HB 1 89 ILE MD 3.520 . 3.700 2.430 2.343 3.261 . 0 0 "[ . 1 . 2]" 1
213 1 56 LEU MD2 1 90 ARG HB2 3.730 . 3.920 2.729 2.026 3.505 . 0 0 "[ . 1 . 2]" 1
214 1 90 ARG HB3 1 91 ILE H 4.840 . 5.080 4.230 3.539 4.584 . 0 0 "[ . 1 . 2]" 1
215 1 57 ILE MG 1 91 ILE HA 4.300 . 4.520 3.924 3.316 4.192 . 0 0 "[ . 1 . 2]" 1
216 1 57 ILE HB 1 91 ILE HA 4.090 . 4.290 2.711 2.101 3.031 . 0 0 "[ . 1 . 2]" 1
217 1 57 ILE H 1 91 ILE MG 4.660 . 4.890 4.496 4.085 4.896 0.006 10 0 "[ . 1 . 2]" 1
218 1 59 MET ME 1 91 ILE MG 4.390 . 4.610 3.218 1.994 4.073 . 0 0 "[ . 1 . 2]" 1
219 1 59 MET HB3 1 91 ILE MG 4.260 . 4.470 3.522 3.234 4.049 . 0 0 "[ . 1 . 2]" 1
220 1 57 ILE MG 1 91 ILE MG 3.690 . 3.870 3.173 2.466 3.697 . 0 0 "[ . 1 . 2]" 1
221 1 57 ILE HB 1 91 ILE MG 4.430 . 4.650 3.159 2.600 3.825 . 0 0 "[ . 1 . 2]" 1
222 1 91 ILE HA 1 91 ILE MD 4.060 . 4.260 3.819 3.788 3.861 . 0 0 "[ . 1 . 2]" 1
223 1 76 SER HB2 1 91 ILE MD 4.120 . 4.330 2.785 2.155 4.122 . 0 0 "[ . 1 . 2]" 1
224 1 76 SER HB3 1 91 ILE MD 4.120 . 4.330 2.588 2.077 3.330 . 0 0 "[ . 1 . 2]" 1
225 1 73 GLU HG2 1 91 ILE MD 3.720 . 3.910 2.156 1.865 3.027 . 0 0 "[ . 1 . 2]" 1
226 1 57 ILE HB 1 91 ILE MD 4.470 . 4.690 3.715 3.365 4.333 . 0 0 "[ . 1 . 2]" 1
227 1 59 MET ME 1 91 ILE MD 4.380 . 4.600 3.286 1.830 4.365 . 0 0 "[ . 1 . 2]" 1
228 1 94 VAL HB 1 96 ASN H 4.580 . 4.810 4.418 3.480 4.831 0.021 9 0 "[ . 1 . 2]" 1
229 1 94 VAL MG2 1 99 TRP HZ2 4.420 . 4.640 4.172 3.380 4.648 0.008 13 0 "[ . 1 . 2]" 1
230 1 94 VAL H 1 94 VAL MG2 4.270 . 4.480 2.247 1.896 3.870 . 0 0 "[ . 1 . 2]" 1
231 1 95 TRP HB3 1 96 ASN H 4.940 . 5.190 4.163 3.800 4.537 . 0 0 "[ . 1 . 2]" 1
232 1 103 LYS HA 1 103 LYS HG2 4.160 . 4.370 2.621 2.380 2.942 . 0 0 "[ . 1 . 2]" 1
233 1 103 LYS HA 1 103 LYS HG3 4.160 . 4.370 3.345 2.964 3.791 . 0 0 "[ . 1 . 2]" 1
234 1 104 ILE H 1 104 ILE MD 4.050 . 4.250 3.797 3.336 4.085 . 0 0 "[ . 1 . 2]" 1
235 1 101 PRO HA 1 104 ILE MD 4.020 . 4.220 3.366 2.500 4.220 . 0 0 "[ . 1 . 2]" 1
236 1 105 THR MG 1 106 GLU H 4.230 . 4.440 3.156 1.795 3.676 0.005 15 0 "[ . 1 . 2]" 1
237 1 90 ARG HA 1 105 THR MG 3.370 . 3.540 2.522 1.795 3.547 0.007 7 0 "[ . 1 . 2]" 1
238 1 106 GLU H 1 106 GLU HB2 4.140 . 4.350 2.764 2.321 3.618 . 0 0 "[ . 1 . 2]" 1
239 1 106 GLU H 1 106 GLU HB3 4.140 . 4.350 2.716 2.411 3.609 . 0 0 "[ . 1 . 2]" 1
240 1 106 GLU H 1 106 GLU HG2 5.250 . 5.510 3.966 2.339 4.640 . 0 0 "[ . 1 . 2]" 1
241 1 106 GLU H 1 106 GLU HG3 5.250 . 5.510 3.762 1.801 4.524 . 0 0 "[ . 1 . 2]" 1
242 1 74 ASP HA 1 77 ARG H 3.940 . 4.140 3.921 3.418 4.150 0.010 2 0 "[ . 1 . 2]" 1
243 1 104 ILE MG 1 108 GLY HA2 4.870 . 5.110 4.308 3.506 5.113 0.003 7 0 "[ . 1 . 2]" 1
244 1 104 ILE MG 1 108 GLY HA3 4.870 . 5.110 2.922 2.075 3.809 . 0 0 "[ . 1 . 2]" 1
245 1 110 GLU HA 1 111 GLN HG3 4.940 . 5.190 4.640 3.613 4.910 . 0 0 "[ . 1 . 2]" 1
246 1 110 GLU HA 1 111 GLN HG2 4.940 . 5.190 5.165 4.770 5.213 0.023 20 0 "[ . 1 . 2]" 1
247 1 62 THR HA 1 62 THR MG 3.570 . 3.750 2.407 2.278 3.226 . 0 0 "[ . 1 . 2]" 1
248 1 5 MET H 1 5 MET ME 4.420 . 4.640 3.803 2.646 4.645 0.005 4 0 "[ . 1 . 2]" 1
249 1 7 GLU H 1 7 GLU HG2 5.500 . 5.780 3.431 1.954 5.225 . 0 0 "[ . 1 . 2]" 1
250 1 7 GLU H 1 7 GLU HG3 5.500 . 5.780 3.770 1.831 4.948 . 0 0 "[ . 1 . 2]" 1
251 1 7 GLU HA 1 8 THR H 3.530 . 3.710 2.501 2.091 3.304 . 0 0 "[ . 1 . 2]" 1
252 1 8 THR HB 1 9 SER H 4.740 . 4.980 4.210 2.838 4.601 . 0 0 "[ . 1 . 2]" 1
253 1 9 SER HA 1 10 ALA H 3.190 . 3.350 2.411 2.136 3.128 . 0 0 "[ . 1 . 2]" 1
254 1 9 SER HB2 1 10 ALA H 5.180 . 5.440 3.830 2.360 4.495 . 0 0 "[ . 1 . 2]" 1
255 1 9 SER HB3 1 10 ALA H 5.180 . 5.440 3.715 2.558 4.523 . 0 0 "[ . 1 . 2]" 1
256 1 10 ALA H 1 10 ALA MB 3.290 . 3.450 2.876 2.285 2.980 . 0 0 "[ . 1 . 2]" 1
257 1 11 PRO HB2 1 12 ALA H 4.200 . 4.410 3.047 2.233 4.150 . 0 0 "[ . 1 . 2]" 1
258 1 11 PRO HB3 1 12 ALA H 4.200 . 4.410 3.532 3.021 3.876 . 0 0 "[ . 1 . 2]" 1
259 1 12 ALA H 1 12 ALA MB 3.010 . 3.160 2.221 2.211 2.232 . 0 0 "[ . 1 . 2]" 1
260 1 12 ALA MB 1 13 GLU H 3.900 . 4.100 2.487 2.094 2.999 . 0 0 "[ . 1 . 2]" 1
261 1 14 GLU H 1 14 GLU HG2 4.580 . 4.810 3.527 1.901 4.483 . 0 0 "[ . 1 . 2]" 1
262 1 14 GLU H 1 14 GLU HG3 4.580 . 4.810 3.432 2.115 4.499 . 0 0 "[ . 1 . 2]" 1
263 1 12 ALA MB 1 14 GLU H 5.330 . 5.600 4.639 4.267 5.011 . 0 0 "[ . 1 . 2]" 1
264 1 13 GLU H 1 14 GLU H 3.970 . 4.170 2.728 2.543 2.876 . 0 0 "[ . 1 . 2]" 1
265 1 14 GLU H 1 15 LEU H 3.590 . 3.770 2.566 2.335 2.774 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU H 1 16 LEU H 3.420 . 3.590 2.758 2.609 2.892 . 0 0 "[ . 1 . 2]" 1
267 1 14 GLU HB2 1 15 LEU H 3.990 . 4.190 3.135 2.395 3.978 . 0 0 "[ . 1 . 2]" 1
268 1 14 GLU HB3 1 15 LEU H 3.990 . 4.190 3.268 2.356 4.082 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU H 1 15 LEU HB2 3.210 . 3.370 2.449 2.232 2.638 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU H 1 15 LEU HB3 3.210 . 3.370 2.540 2.385 2.746 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU H 1 19 VAL MG1 4.510 . 4.740 4.198 4.094 4.302 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU H 1 16 LEU MD1 4.710 . 4.950 4.061 3.979 4.108 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU H 1 16 LEU MD2 5.070 . 5.320 4.218 3.267 4.280 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU H 1 17 ALA MB 4.530 . 4.760 4.544 4.421 4.632 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU H 1 16 LEU HB2 3.610 . 3.790 2.526 2.407 3.563 . 0 0 "[ . 1 . 2]" 1
276 1 13 GLU HA 1 16 LEU H 4.600 . 4.830 3.882 3.167 4.572 . 0 0 "[ . 1 . 2]" 1
277 1 14 GLU H 1 16 LEU H 4.090 . 4.290 4.196 4.044 4.296 0.006 20 0 "[ . 1 . 2]" 1
278 1 16 LEU H 1 17 ALA H 3.320 . 3.490 2.904 2.785 2.990 . 0 0 "[ . 1 . 2]" 1
279 1 15 LEU HA 1 17 ALA H 4.730 . 4.970 4.780 4.554 4.970 0.000 2 0 "[ . 1 . 2]" 1
280 1 16 LEU HG 1 17 ALA H 3.520 . 3.700 3.392 1.904 3.615 . 0 0 "[ . 1 . 2]" 1
281 1 17 ALA H 1 17 ALA MB 2.930 . 3.080 2.236 2.227 2.246 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU MD1 1 17 ALA H 4.660 . 4.890 4.252 2.646 4.437 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU MD2 1 17 ALA H 5.070 . 5.320 3.949 3.672 4.090 . 0 0 "[ . 1 . 2]" 1
284 1 18 ASP H 1 19 VAL H 3.430 . 3.600 2.746 2.602 2.807 . 0 0 "[ . 1 . 2]" 1
285 1 17 ALA H 1 18 ASP H 3.430 . 3.600 2.706 2.571 2.773 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASP H 1 18 ASP HB2 3.740 . 3.930 2.467 2.331 2.610 . 0 0 "[ . 1 . 2]" 1
287 1 18 ASP H 1 18 ASP HB3 3.740 . 3.930 2.850 2.453 3.608 . 0 0 "[ . 1 . 2]" 1
288 1 19 VAL H 1 19 VAL MG1 3.710 . 3.900 2.401 2.272 2.535 . 0 0 "[ . 1 . 2]" 1
289 1 19 VAL H 1 19 VAL MG2 3.760 . 3.950 3.780 3.746 3.803 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL H 1 19 VAL HB 3.520 . 3.700 2.472 2.390 2.532 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASP HB3 1 19 VAL H 4.540 . 4.770 2.775 2.373 3.768 . 0 0 "[ . 1 . 2]" 1
292 1 18 ASP HB2 1 19 VAL H 4.540 . 4.770 3.545 2.682 3.907 . 0 0 "[ . 1 . 2]" 1
293 1 16 LEU HA 1 19 VAL H 4.320 . 4.540 4.066 3.850 4.209 . 0 0 "[ . 1 . 2]" 1
294 1 19 VAL H 1 20 GLU H 3.680 . 3.860 2.566 2.446 2.647 . 0 0 "[ . 1 . 2]" 1
295 1 19 VAL MG2 1 20 GLU H 3.980 . 4.180 3.942 3.810 4.027 . 0 0 "[ . 1 . 2]" 1
296 1 19 VAL MG1 1 20 GLU H 3.640 . 3.820 2.199 2.116 2.271 . 0 0 "[ . 1 . 2]" 1
297 1 18 ASP HA 1 21 GLU H 4.090 . 4.290 3.603 3.291 3.950 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLU H 1 22 ALA HA 5.350 . 5.620 5.264 5.182 5.381 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLU H 1 21 GLU H 3.530 . 3.710 2.745 2.660 2.840 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLU H 1 22 ALA H 3.380 . 3.550 2.658 2.561 2.807 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL H 1 21 GLU H 4.940 . 5.190 4.199 4.014 4.350 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLU HG3 1 22 ALA H 5.020 . 5.270 4.281 2.187 4.937 . 0 0 "[ . 1 . 2]" 1
303 1 19 VAL MG1 1 23 MET H 4.710 . 4.950 4.612 4.407 4.848 . 0 0 "[ . 1 . 2]" 1
304 1 22 ALA MB 1 23 MET H 3.740 . 3.930 2.549 2.330 2.771 . 0 0 "[ . 1 . 2]" 1
305 1 23 MET H 1 23 MET HB3 3.840 . 4.030 3.577 3.555 3.597 . 0 0 "[ . 1 . 2]" 1
306 1 23 MET H 1 24 ARG HB2 5.500 . 5.780 4.937 4.248 5.232 . 0 0 "[ . 1 . 2]" 1
307 1 23 MET H 1 24 ARG HB3 5.500 . 5.780 4.966 4.543 5.798 0.018 10 0 "[ . 1 . 2]" 1
308 1 23 MET H 1 23 MET HB2 3.520 . 3.700 2.372 2.283 2.462 . 0 0 "[ . 1 . 2]" 1
309 1 23 MET H 1 23 MET HG3 4.150 . 4.360 3.751 3.538 3.887 . 0 0 "[ . 1 . 2]" 1
310 1 23 MET H 1 23 MET HG2 3.700 . 3.890 2.497 2.238 2.774 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLU HA 1 23 MET H 4.430 . 4.650 3.771 3.490 4.014 . 0 0 "[ . 1 . 2]" 1
312 1 23 MET H 1 24 ARG H 3.610 . 3.790 2.674 2.435 2.763 . 0 0 "[ . 1 . 2]" 1
313 1 22 ALA H 1 23 MET H 3.490 . 3.660 2.738 2.624 2.847 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA H 1 24 ARG H 4.820 . 5.060 4.051 3.800 4.283 . 0 0 "[ . 1 . 2]" 1
315 1 23 MET HB2 1 24 ARG H 4.280 . 4.490 3.300 3.007 3.431 . 0 0 "[ . 1 . 2]" 1
316 1 24 ARG H 1 24 ARG HB2 3.940 . 4.140 2.689 2.135 2.928 . 0 0 "[ . 1 . 2]" 1
317 1 24 ARG H 1 24 ARG HB3 3.940 . 4.140 2.516 2.234 3.484 . 0 0 "[ . 1 . 2]" 1
318 1 25 ASP H 1 26 VAL MG1 4.800 . 5.040 4.690 3.624 5.107 0.067 19 0 "[ . 1 . 2]" 1
319 1 25 ASP H 1 26 VAL MG2 4.800 . 5.040 3.488 3.092 3.652 . 0 0 "[ . 1 . 2]" 1
320 1 22 ALA MB 1 25 ASP H 4.560 . 4.790 4.405 4.141 4.502 . 0 0 "[ . 1 . 2]" 1
321 1 25 ASP H 1 25 ASP HB3 3.830 . 4.020 3.346 2.627 3.788 . 0 0 "[ . 1 . 2]" 1
322 1 23 MET HA 1 25 ASP H 4.500 . 4.730 3.882 3.575 4.242 . 0 0 "[ . 1 . 2]" 1
323 1 25 ASP H 1 26 VAL H 3.380 . 3.550 1.916 1.778 2.359 0.022 8 0 "[ . 1 . 2]" 1
324 1 23 MET HA 1 26 VAL H 4.630 . 4.860 3.508 2.973 3.903 . 0 0 "[ . 1 . 2]" 1
325 1 24 ARG HA 1 26 VAL H 4.590 . 4.820 4.576 4.241 4.826 0.006 13 0 "[ . 1 . 2]" 1
326 1 26 VAL H 1 27 VAL MG1 4.670 . 4.900 3.701 3.145 4.066 . 0 0 "[ . 1 . 2]" 1
327 1 26 VAL H 1 26 VAL MG1 3.860 . 4.050 3.340 2.316 3.793 . 0 0 "[ . 1 . 2]" 1
328 1 26 VAL H 1 26 VAL MG2 3.860 . 4.050 2.326 2.021 2.807 . 0 0 "[ . 1 . 2]" 1
329 1 23 MET HB3 1 26 VAL H 5.500 . 5.780 5.620 5.045 5.810 0.030 9 0 "[ . 1 . 2]" 1
330 1 26 VAL H 1 26 VAL HB 3.810 . 4.000 2.777 2.299 3.764 . 0 0 "[ . 1 . 2]" 1
331 1 27 VAL H 1 27 VAL MG2 4.510 . 4.740 3.912 3.699 4.123 . 0 0 "[ . 1 . 2]" 1
332 1 27 VAL H 1 27 VAL HB 3.660 . 3.840 2.878 2.307 3.414 . 0 0 "[ . 1 . 2]" 1
333 1 28 ASP H 1 34 ASN HA 4.230 . 4.440 3.060 2.701 3.423 . 0 0 "[ . 1 . 2]" 1
334 1 28 ASP H 1 29 PRO HA 5.070 . 5.320 4.846 4.593 5.060 . 0 0 "[ . 1 . 2]" 1
335 1 27 VAL HA 1 28 ASP H 3.480 . 3.650 2.400 2.264 2.565 . 0 0 "[ . 1 . 2]" 1
336 1 28 ASP H 1 28 ASP HB3 3.870 . 4.060 2.587 2.366 3.570 . 0 0 "[ . 1 . 2]" 1
337 1 28 ASP H 1 28 ASP HB2 4.000 . 4.200 2.892 2.374 3.036 . 0 0 "[ . 1 . 2]" 1
338 1 28 ASP H 1 33 ILE HB 5.140 . 5.400 4.303 3.702 5.405 0.005 17 0 "[ . 1 . 2]" 1
339 1 28 ASP H 1 33 ILE MD 4.800 . 5.040 4.784 3.788 5.052 0.012 9 0 "[ . 1 . 2]" 1
340 1 30 GLU H 1 30 GLU HB3 3.650 . 3.830 3.155 2.435 3.601 . 0 0 "[ . 1 . 2]" 1
341 1 30 GLU H 1 30 GLU HB2 3.650 . 3.830 2.529 2.223 2.653 . 0 0 "[ . 1 . 2]" 1
342 1 29 PRO HA 1 30 GLU H 3.530 . 3.710 3.345 3.172 3.476 . 0 0 "[ . 1 . 2]" 1
343 1 32 GLY H 1 33 ILE H 3.610 . 3.790 2.427 2.312 2.662 . 0 0 "[ . 1 . 2]" 1
344 1 28 ASP H 1 33 ILE H 4.790 . 5.030 3.633 3.319 4.215 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASP HB3 1 33 ILE H 4.880 . 5.120 2.492 2.047 3.534 . 0 0 "[ . 1 . 2]" 1
346 1 33 ILE H 1 33 ILE HB 4.110 . 4.320 2.931 2.591 3.949 . 0 0 "[ . 1 . 2]" 1
347 1 33 ILE H 1 33 ILE MD 3.980 . 4.180 2.126 1.794 2.383 0.006 17 0 "[ . 1 . 2]" 1
348 1 27 VAL MG2 1 33 ILE H 4.120 . 4.330 3.633 2.812 4.107 . 0 0 "[ . 1 . 2]" 1
349 1 36 VAL H 1 36 VAL MG2 4.190 . 4.400 2.539 1.909 3.781 . 0 0 "[ . 1 . 2]" 1
350 1 36 VAL H 1 38 LEU H 4.570 . 4.800 4.315 4.222 4.427 . 0 0 "[ . 1 . 2]" 1
351 1 36 VAL H 1 37 ASP H 3.420 . 3.590 2.685 2.627 2.775 . 0 0 "[ . 1 . 2]" 1
352 1 36 VAL MG1 1 37 ASP H 4.710 . 4.950 3.436 2.329 4.099 . 0 0 "[ . 1 . 2]" 1
353 1 36 VAL MG2 1 37 ASP H 4.710 . 4.950 3.606 2.304 3.967 . 0 0 "[ . 1 . 2]" 1
354 1 36 VAL MG1 1 38 LEU H 5.500 . 5.780 4.731 4.311 5.263 . 0 0 "[ . 1 . 2]" 1
355 1 36 VAL MG2 1 38 LEU H 5.500 . 5.780 4.921 4.314 5.257 . 0 0 "[ . 1 . 2]" 1
356 1 38 LEU H 1 38 LEU HB2 3.450 . 3.620 2.369 2.287 2.536 . 0 0 "[ . 1 . 2]" 1
357 1 37 ASP HB2 1 38 LEU H 5.070 . 5.320 3.925 2.867 4.236 . 0 0 "[ . 1 . 2]" 1
358 1 37 ASP HB3 1 38 LEU H 5.070 . 5.320 3.257 2.806 4.209 . 0 0 "[ . 1 . 2]" 1
359 1 35 VAL HA 1 38 LEU H 4.380 . 4.600 3.683 3.509 3.859 . 0 0 "[ . 1 . 2]" 1
360 1 37 ASP H 1 38 LEU H 3.910 . 4.110 2.657 2.548 2.781 . 0 0 "[ . 1 . 2]" 1
361 1 40 LEU H 1 40 LEU MD2 4.350 . 4.570 4.265 3.848 4.447 . 0 0 "[ . 1 . 2]" 1
362 1 40 LEU H 1 40 LEU MD1 4.350 . 4.570 4.277 4.187 4.483 . 0 0 "[ . 1 . 2]" 1
363 1 39 GLY H 1 40 LEU H 3.760 . 3.950 2.773 2.671 2.843 . 0 0 "[ . 1 . 2]" 1
364 1 40 LEU H 1 41 VAL H 3.880 . 4.070 2.115 2.012 2.253 . 0 0 "[ . 1 . 2]" 1
365 1 36 VAL HA 1 41 VAL H 4.520 . 4.750 3.780 3.407 4.463 . 0 0 "[ . 1 . 2]" 1
366 1 41 VAL H 1 41 VAL HB 3.300 . 3.470 2.577 2.452 2.632 . 0 0 "[ . 1 . 2]" 1
367 1 41 VAL HB 1 42 TYR H 4.850 . 5.090 3.583 3.158 4.252 . 0 0 "[ . 1 . 2]" 1
368 1 41 VAL HA 1 42 TYR H 3.550 . 3.730 3.371 3.301 3.444 . 0 0 "[ . 1 . 2]" 1
369 1 42 TYR H 1 43 GLY H 3.290 . 3.450 2.560 2.396 2.724 . 0 0 "[ . 1 . 2]" 1
370 1 44 LEU H 1 44 LEU MD1 5.060 . 5.310 3.405 1.804 4.577 . 0 0 "[ . 1 . 2]" 1
371 1 44 LEU H 1 44 LEU MD2 5.060 . 5.310 3.712 1.801 4.465 . 0 0 "[ . 1 . 2]" 1
372 1 43 GLY HA2 1 44 LEU H 3.530 . 3.710 2.475 2.169 3.153 . 0 0 "[ . 1 . 2]" 1
373 1 44 LEU H 1 45 ASP H 4.670 . 4.900 4.371 4.206 4.548 . 0 0 "[ . 1 . 2]" 1
374 1 45 ASP H 1 56 LEU H 3.950 . 4.150 3.468 3.304 3.697 . 0 0 "[ . 1 . 2]" 1
375 1 44 LEU HA 1 45 ASP H 2.900 . 3.050 2.184 2.106 2.353 . 0 0 "[ . 1 . 2]" 1
376 1 44 LEU HB2 1 45 ASP H 4.580 . 4.810 3.365 2.506 4.424 . 0 0 "[ . 1 . 2]" 1
377 1 45 ASP H 1 56 LEU HG 4.570 . 4.800 4.782 4.660 4.821 0.021 9 0 "[ . 1 . 2]" 1
378 1 46 VAL H 1 46 VAL MG1 4.350 . 4.570 2.859 1.860 3.975 . 0 0 "[ . 1 . 2]" 1
379 1 46 VAL H 1 46 VAL MG2 4.350 . 4.570 2.728 2.109 3.830 . 0 0 "[ . 1 . 2]" 1
380 1 46 VAL H 1 46 VAL HB 3.840 . 4.030 3.187 2.565 3.919 . 0 0 "[ . 1 . 2]" 1
381 1 45 ASP HA 1 46 VAL H 3.330 . 3.500 2.213 2.141 2.520 . 0 0 "[ . 1 . 2]" 1
382 1 47 GLN H 1 55 ALA HA 3.250 . 3.410 3.370 3.228 3.423 0.013 5 0 "[ . 1 . 2]" 1
383 1 47 GLN H 1 47 GLN HG2 5.020 . 5.270 3.239 2.044 4.495 . 0 0 "[ . 1 . 2]" 1
384 1 47 GLN H 1 47 GLN HG3 5.020 . 5.270 3.161 2.496 4.629 . 0 0 "[ . 1 . 2]" 1
385 1 47 GLN H 1 47 GLN HB2 4.180 . 4.390 2.996 2.454 3.856 . 0 0 "[ . 1 . 2]" 1
386 1 46 VAL HB 1 47 GLN H 4.250 . 4.460 3.785 2.859 4.272 . 0 0 "[ . 1 . 2]" 1
387 1 47 GLN H 1 47 GLN HB3 4.180 . 4.390 3.438 2.460 3.849 . 0 0 "[ . 1 . 2]" 1
388 1 47 GLN H 1 56 LEU HG 4.790 . 5.030 3.366 2.839 3.908 . 0 0 "[ . 1 . 2]" 1
389 1 47 GLN H 1 53 THR MG 4.810 . 5.050 4.183 3.467 5.053 0.003 9 0 "[ . 1 . 2]" 1
390 1 46 VAL MG1 1 47 GLN H 4.960 . 5.210 3.617 2.554 4.174 . 0 0 "[ . 1 . 2]" 1
391 1 46 VAL MG2 1 47 GLN H 4.960 . 5.210 3.662 2.713 4.188 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLN HB3 1 48 ASP H 4.340 . 4.560 3.626 2.771 4.250 . 0 0 "[ . 1 . 2]" 1
393 1 47 GLN HB2 1 48 ASP H 4.340 . 4.560 3.812 2.696 4.351 . 0 0 "[ . 1 . 2]" 1
394 1 48 ASP H 1 48 ASP HB3 3.820 . 4.010 2.916 2.444 3.655 . 0 0 "[ . 1 . 2]" 1
395 1 48 ASP H 1 48 ASP HB2 3.820 . 4.010 3.286 2.346 3.755 . 0 0 "[ . 1 . 2]" 1
396 1 47 GLN HA 1 48 ASP H 2.770 . 2.910 2.166 2.119 2.300 . 0 0 "[ . 1 . 2]" 1
397 1 48 ASP H 1 53 THR HA 5.300 . 5.570 4.720 4.361 5.132 . 0 0 "[ . 1 . 2]" 1
398 1 49 GLY H 1 51 GLU H 4.800 . 5.040 4.837 4.580 5.044 0.004 4 0 "[ . 1 . 2]" 1
399 1 49 GLY H 1 54 VAL H 4.480 . 4.700 3.895 2.972 4.701 0.001 9 0 "[ . 1 . 2]" 1
400 1 48 ASP HA 1 49 GLY H 2.960 . 3.110 2.223 2.134 2.384 . 0 0 "[ . 1 . 2]" 1
401 1 49 GLY H 1 53 THR HA 3.760 . 3.950 2.680 2.180 3.574 . 0 0 "[ . 1 . 2]" 1
402 1 48 ASP HB2 1 49 GLY H 4.290 . 4.500 3.583 2.537 4.482 . 0 0 "[ . 1 . 2]" 1
403 1 48 ASP HB3 1 49 GLY H 4.290 . 4.500 4.062 2.872 4.508 0.008 12 0 "[ . 1 . 2]" 1
404 1 49 GLY H 1 53 THR MG 4.460 . 4.680 3.965 3.217 4.477 . 0 0 "[ . 1 . 2]" 1
405 1 50 ASP H 1 50 ASP HB3 3.960 . 4.160 3.066 2.433 3.630 . 0 0 "[ . 1 . 2]" 1
406 1 50 ASP H 1 50 ASP HB2 3.960 . 4.160 2.690 2.363 3.638 . 0 0 "[ . 1 . 2]" 1
407 1 49 GLY HA2 1 50 ASP H 3.350 . 3.520 2.402 2.174 2.751 . 0 0 "[ . 1 . 2]" 1
408 1 49 GLY HA3 1 50 ASP H 3.330 . 3.500 2.758 2.373 3.102 . 0 0 "[ . 1 . 2]" 1
409 1 51 GLU H 1 52 GLY H 3.080 . 3.230 2.438 2.205 2.667 . 0 0 "[ . 1 . 2]" 1
410 1 49 GLY HA3 1 51 GLU H 3.660 . 3.840 3.269 3.017 3.451 . 0 0 "[ . 1 . 2]" 1
411 1 49 GLY HA2 1 51 GLU H 4.840 . 5.080 4.144 3.822 4.441 . 0 0 "[ . 1 . 2]" 1
412 1 50 ASP HB2 1 51 GLU H 4.090 . 4.290 3.471 2.624 4.149 . 0 0 "[ . 1 . 2]" 1
413 1 50 ASP HB3 1 51 GLU H 4.090 . 4.290 3.542 2.655 4.181 . 0 0 "[ . 1 . 2]" 1
414 1 51 GLU H 1 51 GLU HG2 4.740 . 4.980 3.231 1.846 4.601 . 0 0 "[ . 1 . 2]" 1
415 1 51 GLU H 1 51 GLU HG3 4.740 . 4.980 3.532 2.079 4.520 . 0 0 "[ . 1 . 2]" 1
416 1 51 GLU HB3 1 52 GLY H 4.440 . 4.660 3.785 2.609 4.565 . 0 0 "[ . 1 . 2]" 1
417 1 51 GLU HB2 1 52 GLY H 4.440 . 4.660 3.542 2.653 4.437 . 0 0 "[ . 1 . 2]" 1
418 1 49 GLY HA3 1 52 GLY H 3.850 . 4.040 3.338 2.884 4.004 . 0 0 "[ . 1 . 2]" 1
419 1 49 GLY HA2 1 52 GLY H 5.210 . 5.470 4.444 4.155 4.760 . 0 0 "[ . 1 . 2]" 1
420 1 49 GLY H 1 52 GLY H 3.930 . 4.130 3.573 3.202 3.978 . 0 0 "[ . 1 . 2]" 1
421 1 52 GLY H 1 53 THR H 4.540 . 4.770 4.248 3.567 4.436 . 0 0 "[ . 1 . 2]" 1
422 1 53 THR H 1 54 VAL H 4.720 . 4.960 4.358 4.066 4.511 . 0 0 "[ . 1 . 2]" 1
423 1 52 GLY HA2 1 53 THR H 3.520 . 3.700 2.404 2.147 2.767 . 0 0 "[ . 1 . 2]" 1
424 1 53 THR H 1 53 THR HB 3.900 . 4.100 2.658 2.510 3.541 . 0 0 "[ . 1 . 2]" 1
425 1 52 GLY HA3 1 53 THR H 3.520 . 3.700 2.777 2.410 3.311 . 0 0 "[ . 1 . 2]" 1
426 1 53 THR H 1 87 ASP HB2 4.980 . 5.230 3.137 2.113 5.134 . 0 0 "[ . 1 . 2]" 1
427 1 53 THR H 1 53 THR MG 3.990 . 4.190 3.771 2.983 3.920 . 0 0 "[ . 1 . 2]" 1
428 1 53 THR MG 1 54 VAL H 4.000 . 4.200 3.053 2.622 3.768 . 0 0 "[ . 1 . 2]" 1
429 1 53 THR HA 1 54 VAL H 3.210 . 3.370 2.166 2.130 2.193 . 0 0 "[ . 1 . 2]" 1
430 1 48 ASP HA 1 54 VAL H 3.970 . 4.170 3.317 2.740 3.769 . 0 0 "[ . 1 . 2]" 1
431 1 47 GLN H 1 54 VAL H 3.930 . 4.130 3.599 3.242 3.896 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL H 1 55 ALA H 4.890 . 5.130 4.412 4.316 4.518 . 0 0 "[ . 1 . 2]" 1
433 1 55 ALA H 1 56 LEU H 5.500 . 5.780 4.349 4.244 4.597 . 0 0 "[ . 1 . 2]" 1
434 1 55 ALA H 1 90 ARG H 4.640 . 4.870 3.923 3.447 4.323 . 0 0 "[ . 1 . 2]" 1
435 1 55 ALA H 1 89 ILE HA 3.690 . 3.870 2.290 1.975 2.627 . 0 0 "[ . 1 . 2]" 1
436 1 54 VAL HA 1 55 ALA H 3.300 . 3.470 2.159 2.103 2.231 . 0 0 "[ . 1 . 2]" 1
437 1 55 ALA H 1 89 ILE MG 4.150 . 4.360 3.302 2.707 3.935 . 0 0 "[ . 1 . 2]" 1
438 1 56 LEU H 1 56 LEU MD1 3.990 . 4.190 3.747 3.604 4.132 . 0 0 "[ . 1 . 2]" 1
439 1 55 ALA HA 1 56 LEU H 3.400 . 3.570 2.193 2.151 2.305 . 0 0 "[ . 1 . 2]" 1
440 1 47 GLN H 1 56 LEU H 4.490 . 4.710 3.687 3.305 4.373 . 0 0 "[ . 1 . 2]" 1
441 1 57 ILE H 1 58 ASP H 4.540 . 4.770 4.245 3.985 4.490 . 0 0 "[ . 1 . 2]" 1
442 1 57 ILE H 1 91 ILE HA 4.240 . 4.450 2.769 2.418 3.124 . 0 0 "[ . 1 . 2]" 1
443 1 57 ILE H 1 57 ILE HB 3.710 . 3.900 2.726 2.573 2.903 . 0 0 "[ . 1 . 2]" 1
444 1 57 ILE H 1 57 ILE HG12 4.490 . 4.710 3.750 2.596 4.567 . 0 0 "[ . 1 . 2]" 1
445 1 57 ILE H 1 57 ILE MD 4.390 . 4.610 3.923 2.501 4.357 . 0 0 "[ . 1 . 2]" 1
446 1 43 GLY H 1 58 ASP H 4.780 . 5.020 4.634 4.224 5.022 0.002 19 0 "[ . 1 . 2]" 1
447 1 58 ASP H 1 59 MET H 5.470 . 5.740 4.454 4.355 4.561 . 0 0 "[ . 1 . 2]" 1
448 1 57 ILE HA 1 58 ASP H 3.030 . 3.180 2.166 2.135 2.214 . 0 0 "[ . 1 . 2]" 1
449 1 57 ILE MG 1 58 ASP H 3.490 . 3.660 2.854 2.435 3.090 . 0 0 "[ . 1 . 2]" 1
450 1 61 LEU H 1 61 LEU MD1 4.040 . 4.240 3.708 2.390 4.238 . 0 0 "[ . 1 . 2]" 1
451 1 61 LEU H 1 61 LEU MD2 4.040 . 4.240 2.921 1.978 4.250 0.010 17 0 "[ . 1 . 2]" 1
452 1 61 LEU H 1 61 LEU HB3 4.090 . 4.290 3.730 3.610 3.828 . 0 0 "[ . 1 . 2]" 1
453 1 61 LEU H 1 61 LEU HB2 4.090 . 4.290 2.584 2.377 2.732 . 0 0 "[ . 1 . 2]" 1
454 1 60 THR HB 1 61 LEU H 4.570 . 4.800 3.823 2.369 4.166 . 0 0 "[ . 1 . 2]" 1
455 1 59 MET HA 1 60 THR H 3.410 . 3.580 2.432 2.370 2.492 . 0 0 "[ . 1 . 2]" 1
456 1 60 THR H 1 60 THR MG 3.560 . 3.740 2.628 2.308 3.786 0.046 16 0 "[ . 1 . 2]" 1
457 1 61 LEU HB2 1 62 THR H 4.480 . 4.700 3.683 3.383 3.918 . 0 0 "[ . 1 . 2]" 1
458 1 61 LEU HB3 1 62 THR H 4.480 . 4.700 2.538 2.190 2.849 . 0 0 "[ . 1 . 2]" 1
459 1 62 THR H 1 62 THR MG 4.120 . 4.330 2.820 2.067 3.748 . 0 0 "[ . 1 . 2]" 1
460 1 62 THR H 1 63 SER H 3.680 . 3.860 3.043 2.754 3.243 . 0 0 "[ . 1 . 2]" 1
461 1 61 LEU HA 1 63 SER H 5.240 . 5.500 4.777 4.438 5.015 . 0 0 "[ . 1 . 2]" 1
462 1 61 LEU HB2 1 63 SER H 3.870 . 4.060 3.922 3.286 4.069 0.009 11 0 "[ . 1 . 2]" 1
463 1 61 LEU HB3 1 63 SER H 3.870 . 4.060 3.491 3.192 3.741 . 0 0 "[ . 1 . 2]" 1
464 1 63 SER H 1 64 ALA MB 5.260 . 5.520 4.537 4.244 4.664 . 0 0 "[ . 1 . 2]" 1
465 1 62 THR MG 1 63 SER H 4.810 . 5.050 3.495 1.806 3.925 . 0 0 "[ . 1 . 2]" 1
466 1 64 ALA H 1 64 ALA MB 3.170 . 3.330 2.872 2.845 2.903 . 0 0 "[ . 1 . 2]" 1
467 1 64 ALA H 1 65 ALA MB 4.880 . 5.120 4.681 4.538 4.740 . 0 0 "[ . 1 . 2]" 1
468 1 63 SER HA 1 64 ALA H 3.290 . 3.450 3.281 3.102 3.464 0.014 20 0 "[ . 1 . 2]" 1
469 1 64 ALA H 1 65 ALA H 3.850 . 4.040 2.778 2.647 2.845 . 0 0 "[ . 1 . 2]" 1
470 1 65 ALA H 1 66 CYS H 3.500 . 3.670 2.029 1.798 2.282 0.002 6 0 "[ . 1 . 2]" 1
471 1 63 SER HA 1 65 ALA H 4.700 . 4.930 4.117 3.800 4.260 . 0 0 "[ . 1 . 2]" 1
472 1 65 ALA H 1 65 ALA MB 3.010 . 3.160 2.434 2.355 2.463 . 0 0 "[ . 1 . 2]" 1
473 1 64 ALA MB 1 65 ALA H 3.700 . 3.890 3.428 3.404 3.454 . 0 0 "[ . 1 . 2]" 1
474 1 66 CYS H 1 66 CYS HB3 3.880 . 4.070 3.401 2.439 3.647 . 0 0 "[ . 1 . 2]" 1
475 1 66 CYS H 1 66 CYS HB2 3.880 . 4.070 2.730 2.514 3.562 . 0 0 "[ . 1 . 2]" 1
476 1 63 SER H 1 66 CYS H 4.620 . 4.850 4.072 3.518 4.793 . 0 0 "[ . 1 . 2]" 1
477 1 66 CYS HA 1 68 LEU H 4.880 . 5.120 4.143 3.565 4.966 . 0 0 "[ . 1 . 2]" 1
478 1 68 LEU H 1 68 LEU MD1 4.950 . 5.200 3.524 2.119 4.233 . 0 0 "[ . 1 . 2]" 1
479 1 68 LEU H 1 68 LEU MD2 4.950 . 5.200 3.424 2.109 4.413 . 0 0 "[ . 1 . 2]" 1
480 1 67 PRO HD2 1 68 LEU H 4.750 . 4.990 3.750 2.909 4.869 . 0 0 "[ . 1 . 2]" 1
481 1 69 THR H 1 70 ASP H 3.590 . 3.770 2.844 2.654 3.061 . 0 0 "[ . 1 . 2]" 1
482 1 68 LEU H 1 69 THR H 3.430 . 3.600 2.437 2.211 2.567 . 0 0 "[ . 1 . 2]" 1
483 1 67 PRO HA 1 69 THR H 4.610 . 4.840 3.120 2.786 3.385 . 0 0 "[ . 1 . 2]" 1
484 1 69 THR H 1 69 THR HB 3.810 . 4.000 2.574 2.438 2.822 . 0 0 "[ . 1 . 2]" 1
485 1 69 THR H 1 69 THR MG 3.300 . 3.470 2.058 1.792 2.233 0.008 9 0 "[ . 1 . 2]" 1
486 1 69 THR MG 1 70 ASP H 4.650 . 4.880 1.913 1.789 2.191 0.011 20 0 "[ . 1 . 2]" 1
487 1 69 THR HB 1 70 ASP H 4.070 . 4.270 3.892 3.811 4.030 . 0 0 "[ . 1 . 2]" 1
488 1 71 VAL H 1 72 ILE H 3.500 . 3.670 2.740 2.679 2.803 . 0 0 "[ . 1 . 2]" 1
489 1 70 ASP H 1 71 VAL H 3.490 . 3.660 2.648 2.508 2.819 . 0 0 "[ . 1 . 2]" 1
490 1 71 VAL H 1 73 GLU H 4.850 . 5.090 4.053 3.887 4.199 . 0 0 "[ . 1 . 2]" 1
491 1 71 VAL H 1 71 VAL HB 3.190 . 3.350 2.573 2.540 2.624 . 0 0 "[ . 1 . 2]" 1
492 1 71 VAL H 1 73 GLU HB2 4.930 . 5.180 4.938 4.751 5.126 . 0 0 "[ . 1 . 2]" 1
493 1 72 ILE H 1 73 GLU H 3.820 . 4.010 2.639 2.560 2.712 . 0 0 "[ . 1 . 2]" 1
494 1 72 ILE H 1 72 ILE HB 3.750 . 3.940 3.627 3.112 3.688 . 0 0 "[ . 1 . 2]" 1
495 1 71 VAL HB 1 72 ILE H 3.980 . 4.180 2.566 2.360 4.014 . 0 0 "[ . 1 . 2]" 1
496 1 72 ILE H 1 72 ILE HG12 4.050 . 4.250 2.561 1.814 3.465 . 0 0 "[ . 1 . 2]" 1
497 1 72 ILE H 1 72 ILE HG13 4.050 . 4.250 2.778 1.857 3.449 . 0 0 "[ . 1 . 2]" 1
498 1 73 GLU H 1 73 GLU HB2 3.790 . 3.980 2.373 2.078 2.521 . 0 0 "[ . 1 . 2]" 1
499 1 73 GLU H 1 73 GLU HB3 3.930 . 4.130 3.571 3.232 3.624 . 0 0 "[ . 1 . 2]" 1
500 1 73 GLU H 1 73 GLU HG3 4.300 . 4.520 2.641 2.277 4.160 . 0 0 "[ . 1 . 2]" 1
501 1 70 ASP HA 1 73 GLU H 4.650 . 4.880 3.742 3.354 4.117 . 0 0 "[ . 1 . 2]" 1
502 1 73 GLU H 1 74 ASP H 3.930 . 4.130 2.708 2.601 2.820 . 0 0 "[ . 1 . 2]" 1
503 1 71 VAL HA 1 74 ASP H 4.230 . 4.440 3.643 3.349 3.876 . 0 0 "[ . 1 . 2]" 1
504 1 74 ASP H 1 74 ASP HB3 3.460 . 3.630 2.540 2.420 2.691 . 0 0 "[ . 1 . 2]" 1
505 1 74 ASP H 1 74 ASP HB2 3.680 . 3.860 2.549 2.410 2.676 . 0 0 "[ . 1 . 2]" 1
506 1 73 GLU HB3 1 74 ASP H 3.890 . 4.080 3.379 2.468 3.583 . 0 0 "[ . 1 . 2]" 1
507 1 75 GLN H 1 75 GLN HG3 4.240 . 4.450 2.774 2.111 3.786 . 0 0 "[ . 1 . 2]" 1
508 1 74 ASP HB2 1 75 GLN H 3.910 . 4.110 3.817 3.715 3.929 . 0 0 "[ . 1 . 2]" 1
509 1 74 ASP HB3 1 75 GLN H 3.430 . 3.600 2.473 2.365 2.666 . 0 0 "[ . 1 . 2]" 1
510 1 75 GLN H 1 75 GLN HG2 4.240 . 4.450 2.969 2.003 3.693 . 0 0 "[ . 1 . 2]" 1
511 1 72 ILE HA 1 75 GLN H 4.360 . 4.580 3.502 3.201 3.893 . 0 0 "[ . 1 . 2]" 1
512 1 71 VAL HA 1 75 GLN H 4.680 . 4.910 4.031 3.848 4.147 . 0 0 "[ . 1 . 2]" 1
513 1 74 ASP H 1 75 GLN H 3.630 . 3.810 2.757 2.601 2.856 . 0 0 "[ . 1 . 2]" 1
514 1 75 GLN H 1 76 SER H 3.720 . 3.910 2.789 2.681 2.951 . 0 0 "[ . 1 . 2]" 1
515 1 76 SER H 1 77 ARG H 3.760 . 3.950 2.826 2.717 2.989 . 0 0 "[ . 1 . 2]" 1
516 1 76 SER H 1 76 SER HB2 4.090 . 4.290 2.626 2.483 3.604 . 0 0 "[ . 1 . 2]" 1
517 1 75 GLN HB2 1 76 SER H 4.330 . 4.550 2.555 2.275 3.753 . 0 0 "[ . 1 . 2]" 1
518 1 75 GLN HB3 1 76 SER H 4.330 . 4.550 3.509 3.202 3.964 . 0 0 "[ . 1 . 2]" 1
519 1 80 LEU H 1 80 LEU HB3 4.110 . 4.320 3.577 3.520 3.613 . 0 0 "[ . 1 . 2]" 1
520 1 79 ALA MB 1 80 LEU H 3.710 . 3.900 2.399 2.365 2.449 . 0 0 "[ . 1 . 2]" 1
521 1 80 LEU H 1 80 LEU HB2 3.500 . 3.670 2.385 2.231 2.507 . 0 0 "[ . 1 . 2]" 1
522 1 80 LEU H 1 81 VAL H 3.540 . 3.720 2.732 2.646 2.808 . 0 0 "[ . 1 . 2]" 1
523 1 78 SER HA 1 81 VAL H 4.860 . 5.100 4.234 3.902 4.554 . 0 0 "[ . 1 . 2]" 1
524 1 79 ALA HA 1 81 VAL H 5.380 . 5.650 4.487 4.312 4.630 . 0 0 "[ . 1 . 2]" 1
525 1 81 VAL H 1 81 VAL HB 3.660 . 3.840 2.584 2.484 3.681 . 0 0 "[ . 1 . 2]" 1
526 1 80 LEU HB2 1 81 VAL H 3.980 . 4.180 2.770 2.502 2.995 . 0 0 "[ . 1 . 2]" 1
527 1 80 LEU HB3 1 81 VAL H 4.590 . 4.820 3.544 3.225 3.829 . 0 0 "[ . 1 . 2]" 1
528 1 81 VAL H 1 81 VAL MG1 4.510 . 4.740 3.096 2.168 3.807 . 0 0 "[ . 1 . 2]" 1
529 1 81 VAL H 1 81 VAL MG2 4.510 . 4.740 2.867 2.168 3.830 . 0 0 "[ . 1 . 2]" 1
530 1 81 VAL MG1 1 82 GLY H 5.210 . 5.470 3.294 2.417 4.003 . 0 0 "[ . 1 . 2]" 1
531 1 81 VAL MG2 1 82 GLY H 5.210 . 5.470 3.941 2.503 4.158 . 0 0 "[ . 1 . 2]" 1
532 1 79 ALA HA 1 82 GLY H 3.930 . 4.130 3.288 3.152 3.456 . 0 0 "[ . 1 . 2]" 1
533 1 80 LEU H 1 82 GLY H 4.500 . 4.730 3.792 3.688 3.921 . 0 0 "[ . 1 . 2]" 1
534 1 81 VAL H 1 82 GLY H 3.520 . 3.700 2.395 2.270 2.568 . 0 0 "[ . 1 . 2]" 1
535 1 82 GLY H 1 83 SER H 3.590 . 3.770 2.546 2.310 2.810 . 0 0 "[ . 1 . 2]" 1
536 1 83 SER H 1 84 GLY H 3.260 . 3.420 2.362 2.205 2.536 . 0 0 "[ . 1 . 2]" 1
537 1 83 SER H 1 85 LEU H 4.780 . 5.020 3.871 3.194 4.240 . 0 0 "[ . 1 . 2]" 1
538 1 81 VAL H 1 83 SER H 4.920 . 5.170 4.334 4.037 4.614 . 0 0 "[ . 1 . 2]" 1
539 1 81 VAL HB 1 83 SER H 5.500 . 5.780 5.645 5.290 5.801 0.021 17 0 "[ . 1 . 2]" 1
540 1 84 GLY H 1 85 LEU MD1 5.500 . 5.780 4.620 2.828 5.367 . 0 0 "[ . 1 . 2]" 1
541 1 84 GLY H 1 85 LEU MD2 5.500 . 5.780 4.925 2.920 5.739 . 0 0 "[ . 1 . 2]" 1
542 1 84 GLY H 1 85 LEU H 3.830 . 4.020 2.565 2.305 2.838 . 0 0 "[ . 1 . 2]" 1
543 1 85 LEU H 1 85 LEU HB2 4.020 . 4.220 2.434 2.219 2.637 . 0 0 "[ . 1 . 2]" 1
544 1 85 LEU H 1 85 LEU HG 4.210 . 4.420 2.991 2.100 4.136 . 0 0 "[ . 1 . 2]" 1
545 1 85 LEU H 1 85 LEU HB3 4.020 . 4.220 3.595 3.515 3.646 . 0 0 "[ . 1 . 2]" 1
546 1 85 LEU H 1 85 LEU MD1 4.730 . 4.970 3.180 1.822 3.915 . 0 0 "[ . 1 . 2]" 1
547 1 85 LEU H 1 85 LEU MD2 4.730 . 4.970 3.390 1.874 3.986 . 0 0 "[ . 1 . 2]" 1
548 1 80 LEU HB3 1 86 VAL H 4.710 . 4.950 3.777 3.356 4.346 . 0 0 "[ . 1 . 2]" 1
549 1 85 LEU HB3 1 86 VAL H 3.950 . 4.150 3.610 3.192 3.964 . 0 0 "[ . 1 . 2]" 1
550 1 85 LEU HB2 1 86 VAL H 3.950 . 4.150 2.688 2.112 3.440 . 0 0 "[ . 1 . 2]" 1
551 1 86 VAL H 1 87 ASP H 4.860 . 5.100 4.399 4.302 4.458 . 0 0 "[ . 1 . 2]" 1
552 1 53 THR H 1 87 ASP H 4.560 . 4.790 3.684 2.957 4.423 . 0 0 "[ . 1 . 2]" 1
553 1 86 VAL HA 1 87 ASP H 3.340 . 3.510 2.439 2.306 2.668 . 0 0 "[ . 1 . 2]" 1
554 1 86 VAL HB 1 87 ASP H 3.780 . 3.970 2.432 2.005 3.958 . 0 0 "[ . 1 . 2]" 1
555 1 86 VAL MG1 1 87 ASP H 4.220 . 4.430 3.616 3.326 3.802 . 0 0 "[ . 1 . 2]" 1
556 1 88 ASP H 1 89 ILE MG 4.560 . 4.790 4.242 3.854 4.725 . 0 0 "[ . 1 . 2]" 1
557 1 86 VAL HB 1 88 ASP H 3.580 . 3.760 2.945 2.683 3.827 0.067 20 0 "[ . 1 . 2]" 1
558 1 87 ASP HB3 1 88 ASP H 4.080 . 4.280 2.981 2.340 4.142 . 0 0 "[ . 1 . 2]" 1
559 1 87 ASP HB2 1 88 ASP H 4.080 . 4.280 3.438 2.462 3.972 . 0 0 "[ . 1 . 2]" 1
560 1 54 VAL HA 1 88 ASP H 3.560 . 3.740 2.920 2.522 3.745 0.005 18 0 "[ . 1 . 2]" 1
561 1 87 ASP H 1 88 ASP H 3.360 . 3.530 2.330 1.870 2.605 . 0 0 "[ . 1 . 2]" 1
562 1 88 ASP HA 1 89 ILE H 3.380 . 3.550 2.402 2.190 2.682 . 0 0 "[ . 1 . 2]" 1
563 1 89 ILE H 1 89 ILE HG12 4.090 . 4.290 2.583 2.251 3.480 . 0 0 "[ . 1 . 2]" 1
564 1 89 ILE H 1 89 ILE MG 3.810 . 4.000 2.754 2.398 2.976 . 0 0 "[ . 1 . 2]" 1
565 1 89 ILE H 1 89 ILE HG13 4.090 . 4.290 3.262 2.920 4.154 . 0 0 "[ . 1 . 2]" 1
566 1 89 ILE H 1 89 ILE MD 4.200 . 4.410 3.958 1.798 4.412 0.002 4 0 "[ . 1 . 2]" 1
567 1 89 ILE HA 1 90 ARG H 3.270 . 3.430 2.331 2.175 2.487 . 0 0 "[ . 1 . 2]" 1
568 1 89 ILE HB 1 90 ARG H 3.460 . 3.630 2.596 2.069 3.164 . 0 0 "[ . 1 . 2]" 1
569 1 89 ILE MG 1 90 ARG H 4.360 . 4.580 3.869 3.599 4.283 . 0 0 "[ . 1 . 2]" 1
570 1 90 ARG HA 1 91 ILE H 3.210 . 3.370 2.162 2.090 2.222 . 0 0 "[ . 1 . 2]" 1
571 1 90 ARG HB2 1 91 ILE H 4.840 . 5.080 4.481 4.257 4.619 . 0 0 "[ . 1 . 2]" 1
572 1 91 ILE H 1 91 ILE HB 3.640 . 3.820 2.506 2.428 2.552 . 0 0 "[ . 1 . 2]" 1
573 1 89 ILE MD 1 91 ILE H 4.650 . 4.880 4.177 3.594 4.885 0.005 4 0 "[ . 1 . 2]" 1
574 1 91 ILE H 1 91 ILE MD 5.090 . 5.340 3.864 3.791 3.971 . 0 0 "[ . 1 . 2]" 1
575 1 91 ILE H 1 91 ILE MG 4.470 . 4.690 3.799 3.761 3.823 . 0 0 "[ . 1 . 2]" 1
576 1 91 ILE MG 1 92 ASN H 3.530 . 3.710 2.816 2.288 3.288 . 0 0 "[ . 1 . 2]" 1
577 1 57 ILE MG 1 92 ASN H 4.910 . 5.160 4.479 4.066 4.718 . 0 0 "[ . 1 . 2]" 1
578 1 57 ILE HB 1 92 ASN H 4.550 . 4.780 4.154 3.829 4.389 . 0 0 "[ . 1 . 2]" 1
579 1 92 ASN H 1 92 ASN HB3 3.890 . 4.080 2.670 2.378 3.015 . 0 0 "[ . 1 . 2]" 1
580 1 92 ASN H 1 92 ASN HB2 3.890 . 4.080 3.149 2.638 3.773 . 0 0 "[ . 1 . 2]" 1
581 1 91 ILE HA 1 92 ASN H 3.050 . 3.200 2.155 2.107 2.224 . 0 0 "[ . 1 . 2]" 1
582 1 58 ASP HA 1 92 ASN H 4.140 . 4.350 2.891 2.383 3.412 . 0 0 "[ . 1 . 2]" 1
583 1 57 ILE H 1 92 ASN H 4.600 . 4.830 3.639 3.000 4.061 . 0 0 "[ . 1 . 2]" 1
584 1 92 ASN HA 1 93 TRP H 3.280 . 3.440 2.170 2.098 2.223 . 0 0 "[ . 1 . 2]" 1
585 1 93 TRP H 1 93 TRP HB2 3.980 . 4.180 2.598 2.388 2.797 . 0 0 "[ . 1 . 2]" 1
586 1 93 TRP H 1 93 TRP HB3 3.980 . 4.180 3.673 3.604 3.743 . 0 0 "[ . 1 . 2]" 1
587 1 94 VAL HB 1 95 TRP H 4.220 . 4.430 3.756 2.382 4.194 . 0 0 "[ . 1 . 2]" 1
588 1 94 VAL MG2 1 96 ASN H 4.830 . 5.070 4.640 2.546 5.075 0.005 3 0 "[ . 1 . 2]" 1
589 1 94 VAL MG1 1 96 ASN H 4.830 . 5.070 3.653 2.535 4.893 . 0 0 "[ . 1 . 2]" 1
590 1 96 ASN H 1 96 ASN HB3 3.980 . 4.180 3.408 2.984 3.970 . 0 0 "[ . 1 . 2]" 1
591 1 96 ASN H 1 96 ASN HB2 3.980 . 4.180 3.478 3.027 3.703 . 0 0 "[ . 1 . 2]" 1
592 1 95 TRP HB2 1 96 ASN H 4.940 . 5.190 3.366 2.535 4.431 . 0 0 "[ . 1 . 2]" 1
593 1 94 VAL HA 1 96 ASN H 4.070 . 4.270 3.498 3.316 3.748 . 0 0 "[ . 1 . 2]" 1
594 1 95 TRP H 1 96 ASN H 3.080 . 3.230 1.861 1.787 2.030 0.013 1 0 "[ . 1 . 2]" 1
595 1 91 ILE MG 1 93 TRP H 4.820 . 5.060 4.147 3.584 4.608 . 0 0 "[ . 1 . 2]" 1
596 1 99 TRP HA 1 100 GLY H 3.340 . 3.510 2.336 2.135 3.429 . 0 0 "[ . 1 . 2]" 1
597 1 100 GLY H 1 103 LYS HB2 4.720 . 4.960 4.619 3.373 4.971 0.011 11 0 "[ . 1 . 2]" 1
598 1 100 GLY H 1 103 LYS HG2 4.750 . 4.990 4.050 2.544 4.995 0.005 1 0 "[ . 1 . 2]" 1
599 1 100 GLY H 1 103 LYS HG3 4.750 . 4.990 3.404 2.166 4.873 . 0 0 "[ . 1 . 2]" 1
600 1 102 ASP H 1 103 LYS HB2 4.990 . 5.240 4.863 4.589 5.092 . 0 0 "[ . 1 . 2]" 1
601 1 102 ASP H 1 104 ILE H 4.860 . 5.100 4.316 4.243 4.405 . 0 0 "[ . 1 . 2]" 1
602 1 102 ASP H 1 103 LYS H 3.420 . 3.590 2.682 2.624 2.775 . 0 0 "[ . 1 . 2]" 1
603 1 103 LYS H 1 104 ILE H 3.540 . 3.720 2.558 2.396 2.712 . 0 0 "[ . 1 . 2]" 1
604 1 100 GLY H 1 103 LYS H 5.010 . 5.260 3.702 3.217 4.857 . 0 0 "[ . 1 . 2]" 1
605 1 101 PRO HA 1 103 LYS H 4.710 . 4.950 3.554 3.312 3.847 . 0 0 "[ . 1 . 2]" 1
606 1 102 ASP HB2 1 103 LYS H 5.230 . 5.490 3.773 2.960 4.261 . 0 0 "[ . 1 . 2]" 1
607 1 102 ASP HB3 1 103 LYS H 5.230 . 5.490 3.992 3.157 4.477 . 0 0 "[ . 1 . 2]" 1
608 1 103 LYS H 1 103 LYS HB3 3.880 . 4.070 3.599 3.505 3.646 . 0 0 "[ . 1 . 2]" 1
609 1 103 LYS H 1 103 LYS HB2 3.550 . 3.730 2.400 2.208 2.562 . 0 0 "[ . 1 . 2]" 1
610 1 103 LYS H 1 103 LYS HG2 3.830 . 4.020 3.298 2.514 3.784 . 0 0 "[ . 1 . 2]" 1
611 1 103 LYS H 1 103 LYS HG3 3.830 . 4.020 2.990 2.227 4.030 0.010 8 0 "[ . 1 . 2]" 1
612 1 104 ILE H 1 104 ILE MG 4.370 . 4.590 3.833 3.791 3.901 . 0 0 "[ . 1 . 2]" 1
613 1 104 ILE H 1 104 ILE HB 3.500 . 3.670 2.580 2.504 2.709 . 0 0 "[ . 1 . 2]" 1
614 1 103 LYS HB3 1 104 ILE H 5.020 . 5.270 4.194 3.745 4.417 . 0 0 "[ . 1 . 2]" 1
615 1 101 PRO HA 1 104 ILE H 4.650 . 4.880 4.008 3.685 4.282 . 0 0 "[ . 1 . 2]" 1
616 1 90 ARG HA 1 105 THR H 4.730 . 4.970 4.804 4.137 4.991 0.021 6 0 "[ . 1 . 2]" 1
617 1 104 ILE HA 1 105 THR H 3.360 . 3.530 2.195 2.157 2.240 . 0 0 "[ . 1 . 2]" 1
618 1 104 ILE HB 1 105 THR H 4.540 . 4.770 4.327 4.015 4.477 . 0 0 "[ . 1 . 2]" 1
619 1 105 THR H 1 105 THR MG 3.300 . 3.470 2.716 2.202 3.514 0.044 11 0 "[ . 1 . 2]" 1
620 1 104 ILE MG 1 105 THR H 3.560 . 3.740 3.049 2.449 3.483 . 0 0 "[ . 1 . 2]" 1
621 1 105 THR HB 1 106 GLU H 3.860 . 4.050 2.586 1.911 3.424 . 0 0 "[ . 1 . 2]" 1
622 1 108 GLY H 1 109 ARG H 3.870 . 4.060 2.584 2.378 2.782 . 0 0 "[ . 1 . 2]" 1
623 1 107 ASP HB2 1 108 GLY H 4.530 . 4.760 3.214 2.282 4.047 . 0 0 "[ . 1 . 2]" 1
624 1 107 ASP HB3 1 108 GLY H 4.530 . 4.760 3.222 2.302 4.068 . 0 0 "[ . 1 . 2]" 1
625 1 104 ILE MG 1 108 GLY H 4.680 . 4.910 3.739 2.944 4.444 . 0 0 "[ . 1 . 2]" 1
626 1 109 ARG H 1 110 GLU H 3.690 . 3.870 2.600 2.424 2.810 . 0 0 "[ . 1 . 2]" 1
627 1 106 GLU HA 1 109 ARG H 4.160 . 4.370 3.303 2.915 3.654 . 0 0 "[ . 1 . 2]" 1
628 1 109 ARG H 1 109 ARG HB3 3.540 . 3.720 2.780 2.266 3.614 . 0 0 "[ . 1 . 2]" 1
629 1 109 ARG H 1 109 ARG HB2 3.540 . 3.720 2.511 2.320 2.764 . 0 0 "[ . 1 . 2]" 1
630 1 109 ARG H 1 109 ARG HG2 5.340 . 5.610 3.985 2.284 4.653 . 0 0 "[ . 1 . 2]" 1
631 1 109 ARG H 1 109 ARG HG3 5.340 . 5.610 4.202 2.157 4.606 . 0 0 "[ . 1 . 2]" 1
632 1 104 ILE MG 1 109 ARG H 3.660 . 3.840 3.194 2.581 3.849 0.009 10 0 "[ . 1 . 2]" 1
633 1 110 GLU H 1 111 GLN H 3.790 . 3.980 2.624 2.414 2.804 . 0 0 "[ . 1 . 2]" 1
634 1 109 ARG HB3 1 110 GLU H 4.370 . 4.590 2.900 2.435 3.870 . 0 0 "[ . 1 . 2]" 1
635 1 109 ARG HB2 1 110 GLU H 4.370 . 4.590 3.567 2.451 4.057 . 0 0 "[ . 1 . 2]" 1
636 1 113 ARG H 1 114 ALA H 3.730 . 3.920 2.637 2.481 2.789 . 0 0 "[ . 1 . 2]" 1
637 1 114 ALA H 1 115 LEU H 3.700 . 3.890 2.674 2.542 2.846 . 0 0 "[ . 1 . 2]" 1
638 1 114 ALA H 1 115 LEU HA 5.210 . 5.470 5.226 5.009 5.393 . 0 0 "[ . 1 . 2]" 1
639 1 114 ALA H 1 114 ALA MB 3.070 . 3.220 2.240 2.220 2.274 . 0 0 "[ . 1 . 2]" 1
640 1 115 LEU H 1 115 LEU HG 4.510 . 4.740 4.047 2.309 4.685 . 0 0 "[ . 1 . 2]" 1
641 1 114 ALA MB 1 115 LEU H 4.050 . 4.250 2.997 2.533 3.259 . 0 0 "[ . 1 . 2]" 1
642 1 115 LEU H 1 115 LEU HB3 3.930 . 4.130 2.901 2.429 3.641 . 0 0 "[ . 1 . 2]" 1
643 1 115 LEU H 1 115 LEU HB2 3.930 . 4.130 2.518 2.239 3.606 . 0 0 "[ . 1 . 2]" 1
644 1 115 LEU H 1 116 GLY H 3.720 . 3.910 2.501 2.271 2.848 . 0 0 "[ . 1 . 2]" 1
645 1 106 GLU H 1 107 ASP H 3.860 . 4.050 2.697 2.418 2.894 . 0 0 "[ . 1 . 2]" 1
646 1 107 ASP H 1 107 ASP HB2 3.720 . 3.910 2.743 2.453 3.631 . 0 0 "[ . 1 . 2]" 1
647 1 107 ASP H 1 107 ASP HB3 3.720 . 3.910 3.000 2.434 3.620 . 0 0 "[ . 1 . 2]" 1
648 1 106 GLU HG2 1 107 ASP H 5.500 . 5.780 4.195 2.396 5.116 . 0 0 "[ . 1 . 2]" 1
649 1 106 GLU HG3 1 107 ASP H 5.500 . 5.780 4.164 1.802 5.400 . 0 0 "[ . 1 . 2]" 1
650 1 106 GLU HB2 1 107 ASP H 4.720 . 4.960 3.758 2.654 4.187 . 0 0 "[ . 1 . 2]" 1
651 1 106 GLU HB3 1 107 ASP H 4.720 . 4.960 3.233 2.378 4.385 . 0 0 "[ . 1 . 2]" 1
652 1 105 THR MG 1 107 ASP H 4.800 . 5.040 3.982 2.740 4.678 . 0 0 "[ . 1 . 2]" 1
653 1 119 VAL H 1 119 VAL MG1 3.710 . 3.900 2.791 1.885 3.931 0.031 15 0 "[ . 1 . 2]" 1
654 1 119 VAL H 1 119 VAL MG2 3.710 . 3.900 2.897 1.967 3.902 0.002 20 0 "[ . 1 . 2]" 1
655 1 119 VAL H 1 119 VAL HB 3.830 . 4.020 3.127 2.527 3.807 . 0 0 "[ . 1 . 2]" 1
656 1 118 THR HA 1 119 VAL H 3.450 . 3.620 2.437 2.145 3.419 . 0 0 "[ . 1 . 2]" 1
657 1 118 THR H 1 119 VAL H 4.880 . 5.120 3.984 2.123 4.604 . 0 0 "[ . 1 . 2]" 1
658 1 107 ASP H 1 108 GLY H 3.670 . 3.850 2.779 2.682 2.890 . 0 0 "[ . 1 . 2]" 1
659 1 105 THR HB 1 107 ASP H 4.750 . 4.990 2.754 2.291 3.256 . 0 0 "[ . 1 . 2]" 1
660 1 33 ILE HB 1 34 ASN H 3.730 . 3.920 3.707 2.714 3.944 0.024 10 0 "[ . 1 . 2]" 1
661 1 33 ILE MD 1 34 ASN H 5.100 . 5.350 4.838 4.696 4.953 . 0 0 "[ . 1 . 2]" 1
662 1 92 ASN HD21 1 94 VAL MG2 5.010 . 5.260 3.494 2.061 5.263 0.003 9 0 "[ . 1 . 2]" 1
663 1 92 ASN HD21 1 94 VAL MG1 5.010 . 5.260 3.467 2.158 5.003 . 0 0 "[ . 1 . 2]" 1
664 1 92 ASN HD22 1 94 VAL MG1 5.010 . 5.260 3.440 1.834 5.160 . 0 0 "[ . 1 . 2]" 1
665 1 92 ASN HD22 1 94 VAL MG2 5.010 . 5.260 3.205 1.992 4.713 . 0 0 "[ . 1 . 2]" 1
666 1 47 GLN HE21 1 56 LEU MD1 4.610 . 4.840 3.033 1.812 4.846 0.006 9 0 "[ . 1 . 2]" 1
667 1 47 GLN HE22 1 56 LEU MD1 4.610 . 4.840 2.666 1.813 3.896 . 0 0 "[ . 1 . 2]" 1
668 1 77 ARG H 1 89 ILE MD 4.340 . 4.560 2.633 2.188 3.512 . 0 0 "[ . 1 . 2]" 1
669 1 77 ARG H 1 91 ILE MD 4.940 . 5.190 4.101 3.771 4.611 . 0 0 "[ . 1 . 2]" 1
670 1 77 ARG H 1 89 ILE MG 4.960 . 5.210 4.384 3.770 4.846 . 0 0 "[ . 1 . 2]" 1
671 1 77 ARG H 1 77 ARG HB2 3.890 . 4.080 2.754 2.186 3.630 . 0 0 "[ . 1 . 2]" 1
672 1 77 ARG H 1 77 ARG HB3 3.890 . 4.080 2.654 2.200 3.616 . 0 0 "[ . 1 . 2]" 1
673 1 75 GLN HA 1 77 ARG H 5.450 . 5.720 4.941 4.690 5.089 . 0 0 "[ . 1 . 2]" 1
674 1 77 ARG H 1 78 SER HA 5.500 . 5.780 5.359 5.275 5.412 . 0 0 "[ . 1 . 2]" 1
675 1 77 ARG H 1 78 SER H 3.590 . 3.770 2.795 2.674 2.887 . 0 0 "[ . 1 . 2]" 1
676 1 78 SER H 1 78 SER HB2 3.850 . 4.040 2.513 2.337 3.593 . 0 0 "[ . 1 . 2]" 1
677 1 78 SER H 1 78 SER HB3 3.850 . 4.040 2.759 2.478 3.598 . 0 0 "[ . 1 . 2]" 1
678 1 77 ARG HB2 1 78 SER H 4.690 . 4.920 3.703 2.374 4.182 . 0 0 "[ . 1 . 2]" 1
679 1 77 ARG HB3 1 78 SER H 4.690 . 4.920 2.988 2.337 4.006 . 0 0 "[ . 1 . 2]" 1
680 1 78 SER H 1 89 ILE MG 5.500 . 5.780 5.634 5.271 5.786 0.006 18 0 "[ . 1 . 2]" 1
681 1 59 MET H 1 91 ILE MG 4.560 . 4.790 3.304 2.916 3.853 . 0 0 "[ . 1 . 2]" 1
682 1 58 ASP HA 1 59 MET H 3.140 . 3.300 2.159 2.128 2.212 . 0 0 "[ . 1 . 2]" 1
683 1 59 MET H 1 92 ASN H 4.760 . 5.000 3.526 2.916 3.875 . 0 0 "[ . 1 . 2]" 1
684 1 94 VAL H 1 94 VAL MG1 4.270 . 4.480 3.205 1.859 3.890 . 0 0 "[ . 1 . 2]" 1
685 1 94 VAL H 1 94 VAL HB 4.190 . 4.400 3.141 2.590 3.770 . 0 0 "[ . 1 . 2]" 1
686 1 93 TRP HA 1 94 VAL H 3.170 . 3.330 2.174 2.135 2.236 . 0 0 "[ . 1 . 2]" 1
687 1 59 MET H 1 94 VAL H 4.560 . 4.790 3.597 3.254 3.997 . 0 0 "[ . 1 . 2]" 1
688 1 111 GLN H 1 111 GLN HG2 4.340 . 4.560 3.441 2.712 4.140 . 0 0 "[ . 1 . 2]" 1
689 1 111 GLN H 1 111 GLN HG3 4.340 . 4.560 2.543 1.837 3.222 . 0 0 "[ . 1 . 2]" 1
690 1 93 TRP HB2 1 95 TRP HE1 5.250 . 5.510 3.767 2.630 4.852 . 0 0 "[ . 1 . 2]" 1
691 1 93 TRP HB3 1 95 TRP HE1 5.250 . 5.510 3.537 2.075 5.515 0.005 1 0 "[ . 1 . 2]" 1
692 1 94 VAL HA 1 99 TRP HE1 5.500 . 5.780 5.535 4.900 5.788 0.008 2 0 "[ . 1 . 2]" 1
693 1 99 TRP HA 1 99 TRP HE1 5.430 . 5.700 5.022 4.853 5.183 . 0 0 "[ . 1 . 2]" 1
694 1 94 VAL HB 1 99 TRP HE1 4.790 . 5.030 4.297 2.856 5.033 0.003 18 0 "[ . 1 . 2]" 1
695 1 69 THR MG 1 93 TRP HE1 5.000 . 5.250 4.355 3.876 5.191 . 0 0 "[ . 1 . 2]" 1
696 1 91 ILE HB 1 93 TRP HE1 4.480 . 4.700 3.867 2.866 4.668 . 0 0 "[ . 1 . 2]" 1
697 1 73 GLU HG2 1 93 TRP HE1 3.990 . 4.190 3.999 3.429 4.199 0.009 13 0 "[ . 1 . 2]" 1
698 1 73 GLU HG3 1 93 TRP HE1 4.030 . 4.230 3.369 2.684 3.794 . 0 0 "[ . 1 . 2]" 1
699 1 69 THR HB 1 93 TRP HE1 4.250 . 4.460 3.793 3.028 4.463 0.003 18 0 "[ . 1 . 2]" 1
700 1 69 THR HA 1 93 TRP HE1 4.080 . 4.280 3.579 2.787 4.291 0.011 17 0 "[ . 1 . 2]" 1
701 1 91 ILE MG 1 93 TRP HE1 4.330 . 4.550 3.182 2.315 4.248 . 0 0 "[ . 1 . 2]" 1
702 1 95 TRP H 1 95 TRP HD1 4.180 . 4.390 3.676 1.945 4.404 0.014 16 0 "[ . 1 . 2]" 1
703 1 99 TRP HA 1 99 TRP HD1 4.280 . 4.490 2.843 2.380 3.259 . 0 0 "[ . 1 . 2]" 1
704 1 93 TRP H 1 93 TRP HD1 4.560 . 4.790 4.163 2.860 4.791 0.001 11 0 "[ . 1 . 2]" 1
705 1 72 ILE MD 1 93 TRP HZ2 4.660 . 4.890 3.926 1.791 4.894 0.009 8 0 "[ . 1 . 2]" 1
706 1 73 GLU HG2 1 93 TRP HZ2 4.180 . 4.390 3.377 2.072 4.396 0.006 5 0 "[ . 1 . 2]" 1
707 1 69 THR HA 1 93 TRP HZ2 5.420 . 5.690 4.275 1.865 5.695 0.005 16 0 "[ . 1 . 2]" 1
708 1 73 GLU HG3 1 93 TRP HZ2 4.260 . 4.470 2.945 1.794 4.204 0.006 15 0 "[ . 1 . 2]" 1
709 1 94 VAL MG1 1 99 TRP HZ2 4.420 . 4.640 4.290 3.426 4.647 0.007 1 0 "[ . 1 . 2]" 1
710 1 7 GLU QG 1 23 MET HG2 4.810 . 5.050 4.935 4.535 5.060 0.010 17 0 "[ . 1 . 2]" 1
711 1 7 GLU QG 1 23 MET ME 3.830 . 4.020 2.944 2.358 3.669 . 0 0 "[ . 1 . 2]" 1
712 1 8 THR H 1 9 SER QB 4.940 . 5.190 4.389 3.310 5.195 0.005 1 0 "[ . 1 . 2]" 1
713 1 9 SER QB 1 10 ALA H 4.380 . 4.600 3.272 2.335 3.855 . 0 0 "[ . 1 . 2]" 1
714 1 10 ALA H 1 11 PRO QD 4.690 . 4.920 4.141 3.810 4.437 . 0 0 "[ . 1 . 2]" 1
715 1 11 PRO QB 1 12 ALA H 3.650 . 3.830 2.838 2.194 3.502 . 0 0 "[ . 1 . 2]" 1
716 1 11 PRO QB 1 12 ALA MB 4.430 . 4.650 4.071 3.624 4.655 0.005 13 0 "[ . 1 . 2]" 1
717 1 11 PRO QB 1 13 GLU H 4.080 . 4.280 3.157 2.641 3.985 . 0 0 "[ . 1 . 2]" 1
718 1 11 PRO QD 1 12 ALA H 4.960 . 5.210 4.973 4.862 5.025 . 0 0 "[ . 1 . 2]" 1
719 1 12 ALA H 1 13 GLU QB 5.340 . 5.610 5.113 4.898 5.493 . 0 0 "[ . 1 . 2]" 1
720 1 12 ALA MB 1 13 GLU QG 4.720 . 4.960 3.616 2.859 4.432 . 0 0 "[ . 1 . 2]" 1
721 1 13 GLU H 1 13 GLU QB 3.370 . 3.540 2.541 2.469 2.674 . 0 0 "[ . 1 . 2]" 1
722 1 13 GLU H 1 13 GLU QG 4.610 . 4.840 2.615 1.857 3.177 . 0 0 "[ . 1 . 2]" 1
723 1 13 GLU HA 1 13 GLU QG 3.360 . 3.530 2.718 2.367 3.510 . 0 0 "[ . 1 . 2]" 1
724 1 13 GLU HA 1 16 LEU QB 4.360 . 4.580 3.260 2.457 4.565 . 0 0 "[ . 1 . 2]" 1
725 1 13 GLU QB 1 14 GLU H 3.480 . 3.650 2.531 2.266 3.506 . 0 0 "[ . 1 . 2]" 1
726 1 14 GLU H 1 14 GLU QB 3.370 . 3.540 2.376 2.193 2.671 . 0 0 "[ . 1 . 2]" 1
727 1 14 GLU H 1 14 GLU QG 3.960 . 4.160 2.884 1.888 3.977 . 0 0 "[ . 1 . 2]" 1
728 1 14 GLU HA 1 14 GLU QG 3.290 . 3.450 2.626 2.378 3.357 . 0 0 "[ . 1 . 2]" 1
729 1 14 GLU QB 1 15 LEU H 3.490 . 3.660 2.608 2.331 3.557 . 0 0 "[ . 1 . 2]" 1
730 1 15 LEU HA 1 15 LEU QD 3.250 . 3.410 2.141 1.988 2.866 . 0 0 "[ . 1 . 2]" 1
731 1 15 LEU HA 1 18 ASP QB 3.730 . 3.920 2.761 2.319 3.139 . 0 0 "[ . 1 . 2]" 1
732 1 15 LEU QD 1 18 ASP QB 3.750 . 3.940 3.352 2.524 3.946 0.006 8 0 "[ . 1 . 2]" 1
733 1 16 LEU H 1 16 LEU QB 2.890 . 3.030 2.237 2.218 2.293 . 0 0 "[ . 1 . 2]" 1
734 1 16 LEU QB 1 19 VAL MG1 4.440 . 4.660 4.098 3.755 4.239 . 0 0 "[ . 1 . 2]" 1
735 1 18 ASP H 1 18 ASP QB 3.190 . 3.350 2.281 2.197 2.380 . 0 0 "[ . 1 . 2]" 1
736 1 18 ASP H 1 85 LEU QD 5.440 . 5.710 5.048 4.375 5.655 . 0 0 "[ . 1 . 2]" 1
737 1 18 ASP QB 1 19 VAL H 3.920 . 4.120 2.531 2.347 2.856 . 0 0 "[ . 1 . 2]" 1
738 1 18 ASP QB 1 85 LEU QD 3.230 . 3.390 2.959 2.456 3.401 0.011 15 0 "[ . 1 . 2]" 1
739 1 20 GLU H 1 20 GLU QG 4.600 . 4.830 3.764 2.360 4.068 . 0 0 "[ . 1 . 2]" 1
740 1 20 GLU H 1 21 GLU QG 4.680 . 4.910 4.408 3.970 4.862 . 0 0 "[ . 1 . 2]" 1
741 1 21 GLU HA 1 21 GLU QG 3.670 . 3.850 2.723 2.272 3.367 . 0 0 "[ . 1 . 2]" 1
742 1 21 GLU QG 1 22 ALA H 4.350 . 4.570 3.810 2.066 4.233 . 0 0 "[ . 1 . 2]" 1
743 1 22 ALA HA 1 26 VAL QG 4.280 . 4.490 3.199 2.263 3.789 . 0 0 "[ . 1 . 2]" 1
744 1 22 ALA MB 1 26 VAL QG 2.940 . 3.090 2.609 2.237 3.025 . 0 0 "[ . 1 . 2]" 1
745 1 24 ARG H 1 24 ARG QB 3.290 . 3.450 2.248 2.110 2.385 . 0 0 "[ . 1 . 2]" 1
746 1 24 ARG H 1 24 ARG QG 4.510 . 4.740 3.960 3.276 4.138 . 0 0 "[ . 1 . 2]" 1
747 1 25 ASP H 1 25 ASP QB 3.280 . 3.440 2.533 2.285 3.108 . 0 0 "[ . 1 . 2]" 1
748 1 25 ASP H 1 26 VAL QG 4.180 . 4.390 3.360 3.067 3.574 . 0 0 "[ . 1 . 2]" 1
749 1 25 ASP QB 1 26 VAL H 4.390 . 4.610 2.998 2.795 3.525 . 0 0 "[ . 1 . 2]" 1
750 1 25 ASP QB 1 79 ALA MB 4.440 . 4.660 3.945 2.943 4.666 0.006 13 0 "[ . 1 . 2]" 1
751 1 26 VAL H 1 26 VAL QG 3.350 . 3.520 2.272 1.939 2.735 . 0 0 "[ . 1 . 2]" 1
752 1 26 VAL HA 1 75 GLN QB 4.750 . 4.990 3.290 2.053 4.696 . 0 0 "[ . 1 . 2]" 1
753 1 26 VAL QG 1 27 VAL H 3.750 . 3.940 3.395 2.578 3.744 . 0 0 "[ . 1 . 2]" 1
754 1 26 VAL QG 1 75 GLN HA 4.970 . 5.220 4.664 3.669 5.176 . 0 0 "[ . 1 . 2]" 1
755 1 26 VAL QG 1 75 GLN QB 3.080 . 3.230 2.869 1.954 3.238 0.008 7 0 "[ . 1 . 2]" 1
756 1 26 VAL QG 1 75 GLN QG 4.510 . 4.740 4.228 2.907 4.761 0.021 20 0 "[ . 1 . 2]" 1
757 1 26 VAL QG 1 76 SER H 4.420 . 4.640 3.890 3.216 4.646 0.006 14 0 "[ . 1 . 2]" 1
758 1 26 VAL QG 1 76 SER HA 3.540 . 3.720 3.021 2.324 3.722 0.002 11 0 "[ . 1 . 2]" 1
759 1 27 VAL MG1 1 34 ASN QB 4.900 . 5.150 4.708 4.299 5.162 0.012 5 0 "[ . 1 . 2]" 1
760 1 27 VAL MG2 1 34 ASN QB 4.390 . 4.610 2.430 1.972 3.292 . 0 0 "[ . 1 . 2]" 1
761 1 28 ASP H 1 35 VAL QG 5.150 . 5.410 3.905 3.429 4.265 . 0 0 "[ . 1 . 2]" 1
762 1 28 ASP HB2 1 35 VAL QG 4.190 . 4.400 4.349 3.725 4.414 0.014 5 0 "[ . 1 . 2]" 1
763 1 28 ASP HB3 1 35 VAL QG 5.440 . 5.710 4.855 4.276 5.719 0.009 2 0 "[ . 1 . 2]" 1
764 1 32 GLY H 1 33 ILE QG 4.650 . 4.880 4.794 4.581 4.886 0.006 14 0 "[ . 1 . 2]" 1
765 1 33 ILE H 1 33 ILE QG 3.860 . 4.050 3.387 2.763 3.649 . 0 0 "[ . 1 . 2]" 1
766 1 34 ASN H 1 34 ASN QB 3.630 . 3.810 2.760 2.397 3.059 . 0 0 "[ . 1 . 2]" 1
767 1 34 ASN HA 1 35 VAL QG 4.020 . 4.220 3.411 3.284 3.638 . 0 0 "[ . 1 . 2]" 1
768 1 35 VAL HA 1 38 LEU QD 3.720 . 3.910 2.158 1.836 3.297 . 0 0 "[ . 1 . 2]" 1
769 1 35 VAL QG 1 36 VAL HA 3.860 . 4.050 3.387 3.084 3.715 . 0 0 "[ . 1 . 2]" 1
770 1 36 VAL HA 1 41 VAL QG 3.800 . 3.990 2.161 1.805 2.666 . 0 0 "[ . 1 . 2]" 1
771 1 36 VAL QG 1 37 ASP H 4.040 . 4.240 2.918 2.291 3.455 . 0 0 "[ . 1 . 2]" 1
772 1 36 VAL QG 1 41 VAL H 4.850 . 5.090 4.335 3.961 4.869 . 0 0 "[ . 1 . 2]" 1
773 1 37 ASP QB 1 38 LEU H 4.440 . 4.660 3.007 2.754 3.761 . 0 0 "[ . 1 . 2]" 1
774 1 39 GLY H 1 40 LEU QB 4.810 . 5.050 4.659 4.486 4.821 . 0 0 "[ . 1 . 2]" 1
775 1 40 LEU H 1 40 LEU QB 3.390 . 3.560 2.331 2.175 2.393 . 0 0 "[ . 1 . 2]" 1
776 1 40 LEU HA 1 40 LEU QD 3.790 . 3.980 2.076 1.793 3.104 0.007 14 0 "[ . 1 . 2]" 1
777 1 40 LEU QD 1 41 VAL H 5.050 . 5.300 4.020 3.354 4.266 . 0 0 "[ . 1 . 2]" 1
778 1 40 LEU QD 1 41 VAL HA 4.440 . 4.660 4.158 2.903 4.686 0.026 14 0 "[ . 1 . 2]" 1
779 1 41 VAL H 1 41 VAL QG 3.360 . 3.530 1.969 1.860 2.140 . 0 0 "[ . 1 . 2]" 1
780 1 41 VAL HA 1 59 MET QG 4.500 . 4.730 3.344 2.410 4.122 . 0 0 "[ . 1 . 2]" 1
781 1 41 VAL QG 1 59 MET QG 3.730 . 3.920 2.629 1.799 3.925 0.005 19 0 "[ . 1 . 2]" 1
782 1 42 TYR H 1 42 TYR QB 3.640 . 3.820 2.300 2.165 2.469 . 0 0 "[ . 1 . 2]" 1
783 1 42 TYR H 1 58 ASP QB 5.340 . 5.610 5.560 5.324 5.626 0.016 20 0 "[ . 1 . 2]" 1
784 1 42 TYR QB 1 43 GLY H 4.410 . 4.630 3.004 2.757 3.627 . 0 0 "[ . 1 . 2]" 1
785 1 43 GLY H 1 58 ASP QB 3.780 . 3.970 3.602 3.354 3.929 . 0 0 "[ . 1 . 2]" 1
786 1 43 GLY QA 1 44 LEU H 2.990 . 3.140 2.422 2.144 2.911 . 0 0 "[ . 1 . 2]" 1
787 1 43 GLY QA 1 58 ASP QB 3.960 . 4.160 2.424 1.877 2.811 . 0 0 "[ . 1 . 2]" 1
788 1 44 LEU H 1 44 LEU QD 4.290 . 4.500 3.012 1.798 3.928 0.002 1 0 "[ . 1 . 2]" 1
789 1 44 LEU HA 1 44 LEU QD 3.920 . 4.120 3.089 2.046 3.444 . 0 0 "[ . 1 . 2]" 1
790 1 44 LEU QB 1 45 ASP H 3.800 . 3.990 3.136 2.477 3.834 . 0 0 "[ . 1 . 2]" 1
791 1 44 LEU QD 1 45 ASP H 3.540 . 3.720 3.327 2.221 3.728 0.008 12 0 "[ . 1 . 2]" 1
792 1 45 ASP H 1 45 ASP QB 3.580 . 3.760 2.743 2.544 2.878 . 0 0 "[ . 1 . 2]" 1
793 1 45 ASP QB 1 46 VAL H 4.370 . 4.590 3.613 2.250 3.948 . 0 0 "[ . 1 . 2]" 1
794 1 45 ASP QB 1 56 LEU QB 3.810 . 4.000 2.648 1.817 3.082 . 0 0 "[ . 1 . 2]" 1
795 1 46 VAL H 1 46 VAL QG 3.740 . 3.930 2.183 1.856 3.012 . 0 0 "[ . 1 . 2]" 1
796 1 46 VAL QG 1 47 GLN H 4.280 . 4.490 3.036 2.529 3.656 . 0 0 "[ . 1 . 2]" 1
797 1 46 VAL QG 1 55 ALA HA 3.250 . 3.410 2.007 1.798 2.505 0.002 3 0 "[ . 1 . 2]" 1
798 1 46 VAL QG 1 55 ALA MB 3.540 . 3.720 2.156 1.926 2.679 . 0 0 "[ . 1 . 2]" 1
799 1 47 GLN H 1 47 GLN QB 3.570 . 3.750 2.662 2.325 3.123 . 0 0 "[ . 1 . 2]" 1
800 1 47 GLN H 1 47 GLN QG 4.350 . 4.570 2.658 2.007 4.001 . 0 0 "[ . 1 . 2]" 1
801 1 47 GLN HA 1 47 GLN QG 3.680 . 3.860 2.813 2.315 3.364 . 0 0 "[ . 1 . 2]" 1
802 1 47 GLN HA 1 48 ASP QB 4.610 . 4.840 4.299 4.009 4.536 . 0 0 "[ . 1 . 2]" 1
803 1 47 GLN QB 1 48 ASP H 3.460 . 3.630 3.151 2.653 3.656 0.026 10 0 "[ . 1 . 2]" 1
804 1 47 GLN QB 1 56 LEU MD1 3.720 . 3.910 3.477 2.476 3.915 0.005 8 0 "[ . 1 . 2]" 1
805 1 47 GLN QG 1 48 ASP H 4.740 . 4.980 4.090 2.642 4.750 . 0 0 "[ . 1 . 2]" 1
806 1 47 GLN QG 1 56 LEU MD1 3.910 . 4.110 2.835 1.975 4.060 . 0 0 "[ . 1 . 2]" 1
807 1 47 GLN QE 1 56 LEU MD1 4.000 . 4.200 2.420 1.796 3.742 0.004 3 0 "[ . 1 . 2]" 1
808 1 48 ASP HA 1 54 VAL QG 5.030 . 5.280 4.427 3.611 5.166 . 0 0 "[ . 1 . 2]" 1
809 1 48 ASP QB 1 49 GLY H 3.720 . 3.910 3.241 2.506 3.946 0.036 5 0 "[ . 1 . 2]" 1
810 1 48 ASP QB 1 49 GLY HA2 4.670 . 4.900 4.404 3.796 4.902 0.002 8 0 "[ . 1 . 2]" 1
811 1 48 ASP QB 1 53 THR MG 4.560 . 4.790 2.786 1.982 4.165 . 0 0 "[ . 1 . 2]" 1
812 1 49 GLY H 1 54 VAL QG 4.610 . 4.840 4.287 2.792 4.849 0.009 1 0 "[ . 1 . 2]" 1
813 1 50 ASP H 1 50 ASP QB 3.290 . 3.450 2.394 2.226 2.542 . 0 0 "[ . 1 . 2]" 1
814 1 50 ASP QB 1 51 GLU H 3.550 . 3.730 2.934 2.571 3.684 . 0 0 "[ . 1 . 2]" 1
815 1 51 GLU H 1 51 GLU QB 3.150 . 3.310 2.476 2.227 2.753 . 0 0 "[ . 1 . 2]" 1
816 1 51 GLU HA 1 51 GLU QG 3.460 . 3.630 2.890 2.412 3.364 . 0 0 "[ . 1 . 2]" 1
817 1 51 GLU QG 1 52 GLY H 4.600 . 4.830 3.827 2.329 4.455 . 0 0 "[ . 1 . 2]" 1
818 1 52 GLY QA 1 53 THR H 3.060 . 3.210 2.233 2.114 2.294 . 0 0 "[ . 1 . 2]" 1
819 1 53 THR H 1 87 ASP QB 4.200 . 4.410 2.788 1.924 3.898 . 0 0 "[ . 1 . 2]" 1
820 1 53 THR HB 1 86 VAL QG 3.580 . 3.760 3.352 1.856 3.768 0.008 2 0 "[ . 1 . 2]" 1
821 1 53 THR MG 1 86 VAL QG 3.010 . 3.160 2.467 1.796 3.169 0.009 9 0 "[ . 1 . 2]" 1
822 1 54 VAL H 1 54 VAL QG 3.430 . 3.600 2.211 1.961 2.665 . 0 0 "[ . 1 . 2]" 1
823 1 54 VAL HA 1 86 VAL QG 4.370 . 4.590 3.615 2.570 4.270 . 0 0 "[ . 1 . 2]" 1
824 1 54 VAL QG 1 55 ALA H 3.470 . 3.640 2.679 2.316 3.466 . 0 0 "[ . 1 . 2]" 1
825 1 54 VAL QG 1 55 ALA HA 5.440 . 5.710 3.758 3.560 4.057 . 0 0 "[ . 1 . 2]" 1
826 1 54 VAL QG 1 56 LEU HG 4.510 . 4.740 3.237 2.629 3.843 . 0 0 "[ . 1 . 2]" 1
827 1 54 VAL QG 1 88 ASP H 4.340 . 4.560 3.722 2.868 4.565 0.005 1 0 "[ . 1 . 2]" 1
828 1 54 VAL QG 1 88 ASP QB 3.400 . 3.570 2.480 1.793 3.551 0.007 19 0 "[ . 1 . 2]" 1
829 1 54 VAL MG1 1 88 ASP HB2 5.810 . 6.100 4.596 2.978 6.100 0.000 14 0 "[ . 1 . 2]" 1
830 1 54 VAL MG2 1 88 ASP HB2 5.810 . 6.100 3.876 1.834 6.092 . 0 0 "[ . 1 . 2]" 1
831 1 54 VAL QG 1 89 ILE HA 3.780 . 3.970 2.910 2.272 3.875 . 0 0 "[ . 1 . 2]" 1
832 1 54 VAL QG 1 90 ARG H 3.840 . 4.030 3.383 2.840 4.035 0.005 17 0 "[ . 1 . 2]" 1
833 1 54 VAL QG 1 90 ARG QG 4.760 . 5.000 3.780 3.086 4.590 . 0 0 "[ . 1 . 2]" 1
834 1 55 ALA H 1 86 VAL QG 3.910 . 4.110 2.907 1.989 3.417 . 0 0 "[ . 1 . 2]" 1
835 1 55 ALA HA 1 86 VAL QG 4.610 . 4.840 3.462 2.983 4.151 . 0 0 "[ . 1 . 2]" 1
836 1 56 LEU MD2 1 90 ARG QB 3.030 . 3.180 1.940 1.776 2.614 0.024 16 0 "[ . 1 . 2]" 1
837 1 56 LEU MD2 1 90 ARG QG 3.860 . 4.050 2.823 2.115 4.063 0.013 9 0 "[ . 1 . 2]" 1
838 1 56 LEU MD2 1 90 ARG QD 3.940 . 4.140 3.795 2.625 4.189 0.049 16 0 "[ . 1 . 2]" 1
839 1 57 ILE H 1 57 ILE QG 3.650 . 3.830 2.774 2.361 3.651 . 0 0 "[ . 1 . 2]" 1
840 1 57 ILE HA 1 57 ILE QG 3.510 . 3.690 2.549 2.409 3.033 . 0 0 "[ . 1 . 2]" 1
841 1 57 ILE HB 1 91 ILE QG 4.260 . 4.470 2.184 1.838 2.868 . 0 0 "[ . 1 . 2]" 1
842 1 57 ILE MG 1 59 MET QB 4.360 . 4.580 3.703 3.206 3.976 . 0 0 "[ . 1 . 2]" 1
843 1 57 ILE MG 1 59 MET QG 3.460 . 3.630 1.887 1.793 2.130 0.007 9 0 "[ . 1 . 2]" 1
844 1 57 ILE QG 1 58 ASP H 4.910 . 5.160 4.356 4.155 4.842 . 0 0 "[ . 1 . 2]" 1
845 1 58 ASP H 1 58 ASP QB 3.410 . 3.580 2.369 2.274 2.471 . 0 0 "[ . 1 . 2]" 1
846 1 58 ASP HA 1 92 ASN QB 4.160 . 4.370 2.988 1.980 4.336 . 0 0 "[ . 1 . 2]" 1
847 1 58 ASP HA 1 92 ASN QD 4.580 . 4.810 3.222 1.932 4.605 . 0 0 "[ . 1 . 2]" 1
848 1 58 ASP HA 1 94 VAL QG 3.990 . 4.190 3.678 3.060 4.159 . 0 0 "[ . 1 . 2]" 1
849 1 58 ASP QB 1 59 MET H 4.440 . 4.660 3.467 3.152 3.901 . 0 0 "[ . 1 . 2]" 1
850 1 58 ASP QB 1 94 VAL QG 3.530 . 3.710 3.076 2.228 3.742 0.032 14 0 "[ . 1 . 2]" 1
851 1 59 MET H 1 92 ASN QB 5.340 . 5.610 3.931 2.826 4.816 . 0 0 "[ . 1 . 2]" 1
852 1 59 MET H 1 94 VAL QG 4.120 . 4.330 3.275 2.962 3.645 . 0 0 "[ . 1 . 2]" 1
853 1 59 MET QB 1 59 MET ME 4.040 . 4.240 1.982 1.880 2.165 . 0 0 "[ . 1 . 2]" 1
854 1 59 MET QB 1 60 THR H 3.940 . 4.140 2.232 2.148 2.410 . 0 0 "[ . 1 . 2]" 1
855 1 59 MET QB 1 72 ILE MD 3.680 . 3.860 3.176 2.652 3.784 . 0 0 "[ . 1 . 2]" 1
856 1 59 MET QB 1 91 ILE MG 3.730 . 3.920 2.234 1.950 2.642 . 0 0 "[ . 1 . 2]" 1
857 1 59 MET QB 1 91 ILE MD 4.360 . 4.580 3.883 3.458 4.334 . 0 0 "[ . 1 . 2]" 1
858 1 59 MET ME 1 59 MET QG 3.310 . 3.480 2.474 2.420 2.533 . 0 0 "[ . 1 . 2]" 1
859 1 59 MET QG 1 60 THR H 4.560 . 4.790 3.712 3.531 3.875 . 0 0 "[ . 1 . 2]" 1
860 1 59 MET ME 1 61 LEU QD 3.230 . 3.390 3.357 2.997 3.403 0.013 15 0 "[ . 1 . 2]" 1
861 1 60 THR HB 1 94 VAL QG 3.870 . 4.060 3.259 2.145 4.075 0.015 20 0 "[ . 1 . 2]" 1
862 1 61 LEU H 1 61 LEU QB 3.550 . 3.730 2.539 2.346 2.676 . 0 0 "[ . 1 . 2]" 1
863 1 61 LEU H 1 61 LEU QD 3.410 . 3.580 2.711 1.965 3.585 0.005 1 0 "[ . 1 . 2]" 1
864 1 61 LEU QB 1 62 THR H 3.890 . 4.080 2.494 2.165 2.784 . 0 0 "[ . 1 . 2]" 1
865 1 61 LEU QB 1 63 SER H 3.290 . 3.450 3.255 2.955 3.454 0.004 14 0 "[ . 1 . 2]" 1
866 1 61 LEU QB 1 66 CYS QB 4.290 . 4.500 3.029 1.999 4.096 . 0 0 "[ . 1 . 2]" 1
867 1 61 LEU QD 1 62 THR H 4.910 . 5.160 3.412 3.138 3.761 . 0 0 "[ . 1 . 2]" 1
868 1 61 LEU QD 1 63 SER H 4.980 . 5.230 4.692 4.310 4.924 . 0 0 "[ . 1 . 2]" 1
869 1 61 LEU QD 1 72 ILE H 4.300 . 4.520 4.502 4.340 4.535 0.015 12 0 "[ . 1 . 2]" 1
870 1 61 LEU QD 1 72 ILE HB 4.420 . 4.640 4.528 4.203 4.651 0.011 11 0 "[ . 1 . 2]" 1
871 1 61 LEU QD 1 72 ILE QG 3.340 . 3.510 3.077 2.356 3.504 . 0 0 "[ . 1 . 2]" 1
872 1 61 LEU QD 1 73 GLU H 5.330 . 5.600 5.434 5.121 5.613 0.013 4 0 "[ . 1 . 2]" 1
873 1 63 SER H 1 63 SER QB 3.630 . 3.810 2.485 2.186 2.751 . 0 0 "[ . 1 . 2]" 1
874 1 63 SER H 1 66 CYS QB 4.240 . 4.450 4.158 3.398 4.456 0.006 8 0 "[ . 1 . 2]" 1
875 1 63 SER QB 1 64 ALA H 3.720 . 3.910 3.380 2.735 3.740 . 0 0 "[ . 1 . 2]" 1
876 1 63 SER QB 1 65 ALA H 3.710 . 3.900 2.665 2.485 3.034 . 0 0 "[ . 1 . 2]" 1
877 1 63 SER QB 1 65 ALA MB 4.570 . 4.800 3.019 2.650 3.671 . 0 0 "[ . 1 . 2]" 1
878 1 66 CYS H 1 66 CYS QB 3.410 . 3.580 2.543 2.314 2.781 . 0 0 "[ . 1 . 2]" 1
879 1 68 LEU H 1 68 LEU QD 4.270 . 4.480 2.863 2.095 3.845 . 0 0 "[ . 1 . 2]" 1
880 1 68 LEU QB 1 69 THR MG 4.900 . 5.150 4.783 4.564 5.013 . 0 0 "[ . 1 . 2]" 1
881 1 69 THR H 1 72 ILE QG 4.700 . 4.930 4.251 4.107 4.612 . 0 0 "[ . 1 . 2]" 1
882 1 70 ASP H 1 70 ASP QB 3.290 . 3.450 2.419 2.179 2.726 . 0 0 "[ . 1 . 2]" 1
883 1 70 ASP QB 1 71 VAL H 3.830 . 4.020 2.790 2.298 3.555 . 0 0 "[ . 1 . 2]" 1
884 1 70 ASP QB 1 71 VAL QG 4.790 . 5.030 3.336 2.881 4.077 . 0 0 "[ . 1 . 2]" 1
885 1 71 VAL H 1 71 VAL QG 3.240 . 3.400 2.035 1.940 2.135 . 0 0 "[ . 1 . 2]" 1
886 1 71 VAL QG 1 72 ILE HA 4.120 . 4.330 3.297 3.021 3.438 . 0 0 "[ . 1 . 2]" 1
887 1 71 VAL QG 1 74 ASP HB3 5.440 . 5.710 3.854 3.392 4.212 . 0 0 "[ . 1 . 2]" 1
888 1 71 VAL QG 1 75 GLN QG 3.770 . 3.960 2.743 2.350 3.518 . 0 0 "[ . 1 . 2]" 1
889 1 71 VAL QG 1 75 GLN QE 3.210 . 3.370 2.858 2.309 3.372 0.002 2 0 "[ . 1 . 2]" 1
890 1 72 ILE H 1 72 ILE QG 3.460 . 3.630 2.051 1.803 2.310 . 0 0 "[ . 1 . 2]" 1
891 1 72 ILE HA 1 75 GLN QE 4.630 . 4.860 3.954 2.015 4.867 0.007 2 0 "[ . 1 . 2]" 1
892 1 72 ILE QG 1 73 GLU HG2 4.610 . 4.840 3.966 2.694 4.858 0.018 12 0 "[ . 1 . 2]" 1
893 1 75 GLN H 1 75 GLN QB 3.470 . 3.640 2.480 2.353 2.600 . 0 0 "[ . 1 . 2]" 1
894 1 75 GLN H 1 75 GLN QG 3.610 . 3.790 2.187 1.978 2.336 . 0 0 "[ . 1 . 2]" 1
895 1 75 GLN HA 1 75 GLN QG 3.110 . 3.270 2.712 2.364 3.303 0.033 11 0 "[ . 1 . 2]" 1
896 1 76 SER H 1 76 SER QB 3.450 . 3.620 2.321 2.246 2.595 . 0 0 "[ . 1 . 2]" 1
897 1 77 ARG H 1 77 ARG QB 3.380 . 3.550 2.291 2.112 2.515 . 0 0 "[ . 1 . 2]" 1
898 1 77 ARG H 1 77 ARG QG 4.450 . 4.670 3.398 2.161 4.045 . 0 0 "[ . 1 . 2]" 1
899 1 77 ARG QB 1 78 SER H 4.110 . 4.320 2.752 2.310 3.510 . 0 0 "[ . 1 . 2]" 1
900 1 77 ARG QB 1 89 ILE MG 4.100 . 4.300 3.760 3.314 4.296 . 0 0 "[ . 1 . 2]" 1
901 1 77 ARG QB 1 89 ILE MD 4.090 . 4.290 2.265 1.904 3.762 . 0 0 "[ . 1 . 2]" 1
902 1 77 ARG QG 1 78 SER H 4.680 . 4.910 3.425 2.051 4.342 . 0 0 "[ . 1 . 2]" 1
903 1 78 SER H 1 78 SER QB 3.360 . 3.530 2.287 2.208 2.498 . 0 0 "[ . 1 . 2]" 1
904 1 80 LEU HB2 1 86 VAL QG 4.040 . 4.240 3.265 2.999 3.823 . 0 0 "[ . 1 . 2]" 1
905 1 81 VAL H 1 81 VAL QG 3.930 . 4.130 2.217 1.970 2.323 . 0 0 "[ . 1 . 2]" 1
906 1 81 VAL QG 1 82 GLY H 4.340 . 4.560 3.018 2.398 3.500 . 0 0 "[ . 1 . 2]" 1
907 1 81 VAL QG 1 83 SER H 5.440 . 5.710 4.562 4.104 4.957 . 0 0 "[ . 1 . 2]" 1
908 1 83 SER H 1 83 SER QB 3.340 . 3.510 2.486 2.284 2.860 . 0 0 "[ . 1 . 2]" 1
909 1 83 SER H 1 85 LEU QD 5.440 . 5.710 4.092 3.004 4.888 . 0 0 "[ . 1 . 2]" 1
910 1 83 SER HA 1 85 LEU QD 5.220 . 5.480 4.293 3.524 5.225 . 0 0 "[ . 1 . 2]" 1
911 1 83 SER QB 1 85 LEU H 4.210 . 4.420 3.213 2.492 3.949 . 0 0 "[ . 1 . 2]" 1
912 1 83 SER QB 1 85 LEU QD 3.120 . 3.280 2.272 1.794 3.125 0.006 20 0 "[ . 1 . 2]" 1
913 1 84 GLY H 1 85 LEU QD 4.790 . 5.030 4.019 2.819 4.614 . 0 0 "[ . 1 . 2]" 1
914 1 85 LEU H 1 85 LEU QB 3.400 . 3.570 2.396 2.196 2.575 . 0 0 "[ . 1 . 2]" 1
915 1 85 LEU H 1 85 LEU QD 4.040 . 4.240 2.689 1.819 3.205 . 0 0 "[ . 1 . 2]" 1
916 1 85 LEU HA 1 85 LEU QD 3.210 . 3.370 2.182 1.954 2.893 . 0 0 "[ . 1 . 2]" 1
917 1 85 LEU QB 1 86 VAL H 3.450 . 3.620 2.610 2.092 3.242 . 0 0 "[ . 1 . 2]" 1
918 1 86 VAL H 1 86 VAL QG 3.230 . 3.390 2.265 2.121 2.737 . 0 0 "[ . 1 . 2]" 1
919 1 86 VAL HA 1 86 VAL QG 3.130 . 3.290 2.298 2.229 2.356 . 0 0 "[ . 1 . 2]" 1
920 1 86 VAL QG 1 88 ASP H 4.100 . 4.300 3.096 1.750 3.849 0.050 20 0 "[ . 1 . 2]" 1
921 1 86 VAL QG 1 89 ILE MG 2.730 . 2.870 2.124 1.880 2.441 . 0 0 "[ . 1 . 2]" 1
922 1 87 ASP H 1 87 ASP QB 3.510 . 3.690 2.370 2.258 2.537 . 0 0 "[ . 1 . 2]" 1
923 1 87 ASP QB 1 88 ASP H 3.520 . 3.700 2.581 2.315 3.133 . 0 0 "[ . 1 . 2]" 1
924 1 88 ASP QB 1 89 ILE H 4.110 . 4.320 3.031 2.246 3.559 . 0 0 "[ . 1 . 2]" 1
925 1 89 ILE H 1 89 ILE QG 3.570 . 3.750 2.487 2.193 3.312 . 0 0 "[ . 1 . 2]" 1
926 1 89 ILE QG 1 90 ARG H 4.500 . 4.730 3.389 2.878 3.998 . 0 0 "[ . 1 . 2]" 1
927 1 90 ARG HA 1 90 ARG QG 3.710 . 3.900 2.708 2.217 3.312 . 0 0 "[ . 1 . 2]" 1
928 1 90 ARG QB 1 91 ILE H 4.220 . 4.430 3.850 3.403 3.974 . 0 0 "[ . 1 . 2]" 1
929 1 90 ARG QB 1 91 ILE QG 5.180 . 5.440 5.011 4.827 5.203 . 0 0 "[ . 1 . 2]" 1
930 1 90 ARG QB 1 105 THR H 5.340 . 5.610 4.287 2.788 5.613 0.003 3 0 "[ . 1 . 2]" 1
931 1 90 ARG QG 1 103 LYS HA 3.820 . 4.010 3.300 1.839 4.015 0.005 3 0 "[ . 1 . 2]" 1
932 1 90 ARG QG 1 103 LYS HB2 5.340 . 5.610 4.637 3.384 5.314 . 0 0 "[ . 1 . 2]" 1
933 1 90 ARG QG 1 103 LYS HB3 4.550 . 4.780 3.520 1.967 4.290 . 0 0 "[ . 1 . 2]" 1
934 1 91 ILE H 1 91 ILE QG 3.730 . 3.920 2.499 2.370 2.636 . 0 0 "[ . 1 . 2]" 1
935 1 91 ILE HA 1 91 ILE QG 3.710 . 3.900 2.397 2.341 2.455 . 0 0 "[ . 1 . 2]" 1
936 1 91 ILE QG 1 92 ASN H 5.090 . 5.340 4.166 3.996 4.348 . 0 0 "[ . 1 . 2]" 1
937 1 92 ASN H 1 92 ASN QB 3.360 . 3.530 2.523 2.244 2.901 . 0 0 "[ . 1 . 2]" 1
938 1 92 ASN H 1 94 VAL QG 5.440 . 5.710 5.096 4.655 5.714 0.004 9 0 "[ . 1 . 2]" 1
939 1 92 ASN QB 1 93 TRP H 4.360 . 4.580 3.530 2.841 3.966 . 0 0 "[ . 1 . 2]" 1
940 1 92 ASN QB 1 94 VAL QG 4.520 . 4.750 3.569 3.087 4.555 . 0 0 "[ . 1 . 2]" 1
941 1 92 ASN QD 1 94 VAL QG 3.620 . 3.800 2.149 1.794 3.230 0.006 1 0 "[ . 1 . 2]" 1
942 1 93 TRP H 1 93 TRP QB 3.430 . 3.600 2.547 2.356 2.721 . 0 0 "[ . 1 . 2]" 1
943 1 93 TRP QB 1 93 TRP HE1 4.520 . 4.750 4.452 4.390 4.497 . 0 0 "[ . 1 . 2]" 1
944 1 93 TRP QB 1 94 VAL H 4.370 . 4.590 3.548 3.450 3.601 . 0 0 "[ . 1 . 2]" 1
945 1 93 TRP QB 1 95 TRP HE1 4.430 . 4.650 3.102 2.056 4.553 . 0 0 "[ . 1 . 2]" 1
946 1 94 VAL H 1 94 VAL QG 3.360 . 3.530 2.035 1.854 2.256 . 0 0 "[ . 1 . 2]" 1
947 1 94 VAL QG 1 95 TRP H 4.450 . 4.670 3.060 2.693 3.567 . 0 0 "[ . 1 . 2]" 1
948 1 94 VAL QG 1 95 TRP HA 4.280 . 4.490 3.779 3.252 4.078 . 0 0 "[ . 1 . 2]" 1
949 1 94 VAL QG 1 96 ASN H 4.060 . 4.260 3.264 2.526 4.269 0.009 13 0 "[ . 1 . 2]" 1
950 1 94 VAL QG 1 99 TRP HZ2 3.790 . 3.980 3.694 3.217 3.983 0.003 5 0 "[ . 1 . 2]" 1
951 1 95 TRP QB 1 96 ASN H 4.230 . 4.440 3.189 2.500 3.984 . 0 0 "[ . 1 . 2]" 1
952 1 96 ASN H 1 96 ASN QB 3.390 . 3.560 3.010 2.812 3.132 . 0 0 "[ . 1 . 2]" 1
953 1 99 TRP QB 1 100 GLY H 4.070 . 4.270 3.097 1.800 3.681 . 0 0 "[ . 1 . 2]" 1
954 1 99 TRP QB 1 103 LYS QG 3.470 . 3.640 2.950 2.213 3.644 0.004 4 0 "[ . 1 . 2]" 1
955 1 100 GLY H 1 103 LYS QG 3.950 . 4.150 2.999 2.153 4.153 0.003 9 0 "[ . 1 . 2]" 1
956 1 100 GLY QA 1 101 PRO QD 3.200 . 3.360 1.966 1.833 2.382 . 0 0 "[ . 1 . 2]" 1
957 1 100 GLY QA 1 102 ASP H 4.530 . 4.760 3.673 3.020 4.551 . 0 0 "[ . 1 . 2]" 1
958 1 101 PRO QB 1 102 ASP H 3.640 . 3.820 3.138 2.324 3.595 . 0 0 "[ . 1 . 2]" 1
959 1 101 PRO QB 1 103 LYS H 5.340 . 5.610 4.502 4.303 4.685 . 0 0 "[ . 1 . 2]" 1
960 1 101 PRO QG 1 102 ASP H 4.050 . 4.250 2.876 1.937 3.898 . 0 0 "[ . 1 . 2]" 1
961 1 101 PRO QG 1 103 LYS H 5.350 . 5.620 4.953 4.267 5.413 . 0 0 "[ . 1 . 2]" 1
962 1 101 PRO QD 1 102 ASP H 4.240 . 4.450 2.739 2.474 3.019 . 0 0 "[ . 1 . 2]" 1
963 1 102 ASP H 1 102 ASP QB 3.460 . 3.630 2.482 2.212 2.771 . 0 0 "[ . 1 . 2]" 1
964 1 102 ASP QB 1 103 LYS H 4.360 . 4.580 3.338 2.893 3.794 . 0 0 "[ . 1 . 2]" 1
965 1 103 LYS H 1 104 ILE QG 4.300 . 4.520 3.733 3.467 3.927 . 0 0 "[ . 1 . 2]" 1
966 1 103 LYS HA 1 104 ILE QG 5.060 . 5.310 4.818 4.424 5.107 . 0 0 "[ . 1 . 2]" 1
967 1 103 LYS HB2 1 104 ILE QG 4.420 . 4.640 3.589 2.710 4.057 . 0 0 "[ . 1 . 2]" 1
968 1 104 ILE H 1 104 ILE QG 3.910 . 4.110 2.489 2.193 2.788 . 0 0 "[ . 1 . 2]" 1
969 1 104 ILE MG 1 108 GLY QA 4.010 . 4.210 2.875 2.060 3.710 . 0 0 "[ . 1 . 2]" 1
970 1 105 THR HB 1 106 GLU QB 4.380 . 4.600 4.244 3.685 4.606 0.006 6 0 "[ . 1 . 2]" 1
971 1 106 GLU H 1 106 GLU QB 3.610 . 3.790 2.341 2.196 2.808 . 0 0 "[ . 1 . 2]" 1
972 1 106 GLU H 1 106 GLU QG 4.420 . 4.640 3.319 1.794 4.072 0.006 1 0 "[ . 1 . 2]" 1
973 1 106 GLU HA 1 109 ARG QB 4.130 . 4.340 2.532 1.787 3.167 0.013 3 0 "[ . 1 . 2]" 1
974 1 106 GLU QB 1 107 ASP H 4.110 . 4.320 2.913 2.354 3.689 . 0 0 "[ . 1 . 2]" 1
975 1 106 GLU QG 1 107 ASP H 4.850 . 5.090 3.568 1.797 4.420 0.003 18 0 "[ . 1 . 2]" 1
976 1 107 ASP H 1 107 ASP QB 3.150 . 3.310 2.428 2.208 2.722 . 0 0 "[ . 1 . 2]" 1
977 1 107 ASP QB 1 108 GLY H 3.950 . 4.150 2.595 2.260 3.539 . 0 0 "[ . 1 . 2]" 1
978 1 109 ARG H 1 109 ARG QG 4.580 . 4.810 3.569 2.127 4.066 . 0 0 "[ . 1 . 2]" 1
979 1 109 ARG QB 1 110 GLU H 3.810 . 4.000 2.603 2.395 2.816 . 0 0 "[ . 1 . 2]" 1
980 1 109 ARG QB 1 110 GLU HA 3.930 . 4.130 4.012 3.678 4.145 0.015 8 0 "[ . 1 . 2]" 1
981 1 110 GLU HA 1 111 GLN QG 4.250 . 4.460 4.305 3.550 4.489 0.029 4 0 "[ . 1 . 2]" 1
982 1 110 GLU QB 1 111 GLN QG 3.460 . 3.630 2.720 2.304 3.710 0.080 18 0 "[ . 1 . 2]" 1
983 1 111 GLN H 1 111 GLN QG 3.810 . 4.000 2.472 1.809 3.116 . 0 0 "[ . 1 . 2]" 1
984 1 112 LEU QB 1 113 ARG H 3.150 . 3.310 2.642 1.792 3.339 0.029 11 0 "[ . 1 . 2]" 1
985 1 112 LEU QB 1 114 ALA H 3.670 . 3.850 3.189 2.446 3.884 0.034 20 0 "[ . 1 . 2]" 1
986 1 113 ARG H 1 115 LEU QB 5.170 . 5.430 5.155 4.860 5.435 0.005 13 0 "[ . 1 . 2]" 1
987 1 113 ARG HA 1 115 LEU QB 4.940 . 5.190 4.674 4.084 5.200 0.010 14 0 "[ . 1 . 2]" 1
988 1 113 ARG QB 1 114 ALA H 4.110 . 4.320 2.867 2.423 3.553 . 0 0 "[ . 1 . 2]" 1
989 1 114 ALA H 1 115 LEU QB 4.610 . 4.840 4.463 4.090 4.767 . 0 0 "[ . 1 . 2]" 1
990 1 115 LEU H 1 115 LEU QB 3.390 . 3.560 2.288 2.173 2.472 . 0 0 "[ . 1 . 2]" 1
991 1 115 LEU H 1 116 GLY QA 4.730 . 4.970 4.313 4.100 4.607 . 0 0 "[ . 1 . 2]" 1
992 1 119 VAL H 1 119 VAL QG 3.240 . 3.400 2.137 1.865 2.641 . 0 0 "[ . 1 . 2]" 1
993 1 40 LEU MD1 1 99 TRP HD1 5.500 . 5.780 5.596 4.606 5.793 0.013 7 0 "[ . 1 . 2]" 1
994 1 40 LEU MD2 1 99 TRP HD1 6.000 . 6.300 6.001 4.656 6.311 0.011 10 0 "[ . 1 . 2]" 1
995 1 40 LEU MD2 1 99 TRP HE1 5.000 . 5.250 4.397 3.222 5.021 . 0 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 76
_Distance_constraint_stats_list.Viol_count 375
_Distance_constraint_stats_list.Viol_total 58.006
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_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 11 PRO 0.027 0.009 15 0 "[ . 1 . 2]"
1 14 GLU 0.050 0.014 16 0 "[ . 1 . 2]"
1 15 LEU 0.047 0.009 15 0 "[ . 1 . 2]"
1 16 LEU 0.200 0.019 20 0 "[ . 1 . 2]"
1 17 ALA 0.204 0.021 16 0 "[ . 1 . 2]"
1 18 ASP 0.083 0.014 16 0 "[ . 1 . 2]"
1 19 VAL 0.023 0.007 7 0 "[ . 1 . 2]"
1 20 GLU 0.200 0.019 20 0 "[ . 1 . 2]"
1 21 GLU 0.330 0.021 16 0 "[ . 1 . 2]"
1 22 ALA 0.141 0.014 9 0 "[ . 1 . 2]"
1 23 MET 0.003 0.003 18 0 "[ . 1 . 2]"
1 24 ARG 0.125 0.015 17 0 "[ . 1 . 2]"
1 25 ASP 0.059 0.009 2 0 "[ . 1 . 2]"
1 26 VAL 0.049 0.014 9 0 "[ . 1 . 2]"
1 28 ASP 0.126 0.015 20 0 "[ . 1 . 2]"
1 33 ILE 0.126 0.015 20 0 "[ . 1 . 2]"
1 34 ASN 0.069 0.010 15 0 "[ . 1 . 2]"
1 35 VAL 0.221 0.020 9 0 "[ . 1 . 2]"
1 36 VAL 0.016 0.005 13 0 "[ . 1 . 2]"
1 37 ASP 0.069 0.010 15 0 "[ . 1 . 2]"
1 38 LEU 0.221 0.020 9 0 "[ . 1 . 2]"
1 39 GLY 0.016 0.005 13 0 "[ . 1 . 2]"
1 40 LEU 0.020 0.011 3 0 "[ . 1 . 2]"
1 43 GLY 0.084 0.011 3 0 "[ . 1 . 2]"
1 45 ASP 0.077 0.013 19 0 "[ . 1 . 2]"
1 47 GLN 0.040 0.009 6 0 "[ . 1 . 2]"
1 54 VAL 0.040 0.009 6 0 "[ . 1 . 2]"
1 55 ALA 0.085 0.017 3 0 "[ . 1 . 2]"
1 56 LEU 0.077 0.013 19 0 "[ . 1 . 2]"
1 57 ILE 0.032 0.010 3 0 "[ . 1 . 2]"
1 58 ASP 0.065 0.010 20 0 "[ . 1 . 2]"
1 59 MET 0.153 0.026 20 0 "[ . 1 . 2]"
1 68 LEU 0.073 0.019 19 0 "[ . 1 . 2]"
1 69 THR 0.112 0.017 20 0 "[ . 1 . 2]"
1 70 ASP 0.041 0.007 7 0 "[ . 1 . 2]"
1 71 VAL 0.009 0.004 20 0 "[ . 1 . 2]"
1 72 ILE 0.156 0.019 19 0 "[ . 1 . 2]"
1 73 GLU 0.126 0.017 20 0 "[ . 1 . 2]"
1 74 ASP 0.075 0.014 14 0 "[ . 1 . 2]"
1 75 GLN 0.009 0.004 20 0 "[ . 1 . 2]"
1 76 SER 0.128 0.018 14 0 "[ . 1 . 2]"
1 77 ARG 0.137 0.018 14 0 "[ . 1 . 2]"
1 78 SER 0.035 0.014 14 0 "[ . 1 . 2]"
1 79 ALA 0.586 0.037 6 0 "[ . 1 . 2]"
1 80 LEU 0.046 0.009 6 0 "[ . 1 . 2]"
1 81 VAL 0.123 0.018 14 0 "[ . 1 . 2]"
1 82 GLY 0.586 0.037 6 0 "[ . 1 . 2]"
1 88 ASP 0.071 0.017 3 0 "[ . 1 . 2]"
1 90 ARG 0.029 0.008 14 0 "[ . 1 . 2]"
1 92 ASN 0.042 0.010 3 0 "[ . 1 . 2]"
1 94 VAL 0.128 0.026 20 0 "[ . 1 . 2]"
1 101 PRO 0.105 0.013 6 0 "[ . 1 . 2]"
1 104 ILE 0.105 0.013 6 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 11 PRO O 1 15 LEU H 2.000 . 2.000 1.846 1.793 2.009 0.009 15 0 "[ . 1 . 2]" 2
2 1 11 PRO O 1 15 LEU N 3.000 2.700 3.000 2.794 2.725 2.949 . 0 0 "[ . 1 . 2]" 2
3 1 14 GLU O 1 18 ASP H 2.000 . 2.000 1.969 1.855 2.014 0.014 16 0 "[ . 1 . 2]" 2
4 1 14 GLU O 1 18 ASP N 3.000 2.700 3.000 2.924 2.804 3.001 0.001 16 0 "[ . 1 . 2]" 2
5 1 15 LEU O 1 19 VAL H 2.000 . 2.000 1.831 1.793 1.918 0.007 7 0 "[ . 1 . 2]" 2
6 1 15 LEU O 1 19 VAL N 3.000 2.700 3.000 2.771 2.717 2.871 . 0 0 "[ . 1 . 2]" 2
7 1 16 LEU O 1 20 GLU H 2.000 . 2.000 2.009 1.984 2.019 0.019 20 0 "[ . 1 . 2]" 2
8 1 16 LEU O 1 20 GLU N 3.000 2.700 3.000 2.905 2.865 2.953 . 0 0 "[ . 1 . 2]" 2
9 1 17 ALA O 1 21 GLU H 2.000 . 2.000 2.007 1.946 2.021 0.021 16 0 "[ . 1 . 2]" 2
10 1 17 ALA O 1 21 GLU N 3.000 2.700 3.000 2.955 2.828 3.001 0.001 8 0 "[ . 1 . 2]" 2
11 1 18 ASP O 1 22 ALA H 2.000 . 2.000 1.867 1.791 2.006 0.009 6 0 "[ . 1 . 2]" 2
12 1 18 ASP O 1 22 ALA N 3.000 2.700 3.000 2.814 2.695 2.980 0.005 6 0 "[ . 1 . 2]" 2
13 1 19 VAL O 1 23 MET H 2.000 . 2.000 1.846 1.797 1.929 0.003 18 0 "[ . 1 . 2]" 2
14 1 19 VAL O 1 23 MET N 3.000 2.700 3.000 2.755 2.700 2.819 . 0 0 "[ . 1 . 2]" 2
15 1 21 GLU O 1 24 ARG H 2.000 . 2.000 2.003 1.941 2.015 0.015 17 0 "[ . 1 . 2]" 2
16 1 21 GLU O 1 24 ARG N 3.000 2.700 3.000 2.880 2.777 2.966 . 0 0 "[ . 1 . 2]" 2
17 1 22 ALA O 1 26 VAL H 2.000 . 2.000 1.913 1.796 2.011 0.011 20 0 "[ . 1 . 2]" 2
18 1 22 ALA O 1 26 VAL N 3.000 2.700 3.000 2.809 2.686 2.930 0.014 9 0 "[ . 1 . 2]" 2
19 1 22 ALA O 1 25 ASP H 2.000 . 2.000 1.984 1.912 2.009 0.009 2 0 "[ . 1 . 2]" 2
20 1 22 ALA O 1 25 ASP N 3.000 2.700 3.000 2.894 2.743 2.957 . 0 0 "[ . 1 . 2]" 2
21 1 55 ALA H 1 88 ASP O 2.000 . 2.000 1.988 1.872 2.017 0.017 3 0 "[ . 1 . 2]" 2
22 1 55 ALA N 1 88 ASP O 3.000 2.700 3.000 2.929 2.820 2.989 . 0 0 "[ . 1 . 2]" 2
23 1 57 ILE H 1 90 ARG O 2.000 . 2.000 1.911 1.819 2.008 0.008 14 0 "[ . 1 . 2]" 2
24 1 57 ILE N 1 90 ARG O 3.000 2.700 3.000 2.842 2.709 2.957 . 0 0 "[ . 1 . 2]" 2
25 1 59 MET H 1 92 ASN O 2.000 . 2.000 1.925 1.827 2.009 0.009 14 0 "[ . 1 . 2]" 2
26 1 59 MET N 1 92 ASN O 3.000 2.700 3.000 2.876 2.754 2.991 . 0 0 "[ . 1 . 2]" 2
27 1 55 ALA O 1 90 ARG H 2.000 . 2.000 1.929 1.799 2.004 0.004 6 0 "[ . 1 . 2]" 2
28 1 55 ALA O 1 90 ARG N 3.000 2.700 3.000 2.827 2.698 2.942 0.002 14 0 "[ . 1 . 2]" 2
29 1 57 ILE O 1 92 ASN H 2.000 . 2.000 1.944 1.821 2.010 0.010 3 0 "[ . 1 . 2]" 2
30 1 57 ILE O 1 92 ASN N 3.000 2.700 3.000 2.843 2.740 2.962 . 0 0 "[ . 1 . 2]" 2
31 1 68 LEU O 1 72 ILE H 2.000 . 2.000 1.958 1.849 2.019 0.019 19 0 "[ . 1 . 2]" 2
32 1 68 LEU O 1 72 ILE N 3.000 2.700 3.000 2.927 2.805 3.002 0.002 6 0 "[ . 1 . 2]" 2
33 1 69 THR O 1 73 GLU H 2.000 . 2.000 1.970 1.803 2.017 0.017 20 0 "[ . 1 . 2]" 2
34 1 69 THR O 1 73 GLU N 3.000 2.700 3.000 2.920 2.716 2.994 . 0 0 "[ . 1 . 2]" 2
35 1 70 ASP O 1 74 ASP H 2.000 . 2.000 1.979 1.876 2.007 0.007 7 0 "[ . 1 . 2]" 2
36 1 70 ASP O 1 74 ASP N 3.000 2.700 3.000 2.902 2.787 2.952 . 0 0 "[ . 1 . 2]" 2
37 1 71 VAL O 1 75 GLN H 2.000 . 2.000 1.950 1.851 2.004 0.004 20 0 "[ . 1 . 2]" 2
38 1 71 VAL O 1 75 GLN N 3.000 2.700 3.000 2.916 2.804 2.986 . 0 0 "[ . 1 . 2]" 2
39 1 72 ILE O 1 76 SER H 2.000 . 2.000 1.991 1.918 2.018 0.018 14 0 "[ . 1 . 2]" 2
40 1 72 ILE O 1 76 SER N 3.000 2.700 3.000 2.940 2.838 2.987 . 0 0 "[ . 1 . 2]" 2
41 1 73 GLU O 1 77 ARG H 2.000 . 2.000 1.888 1.817 2.008 0.008 17 0 "[ . 1 . 2]" 2
42 1 73 GLU O 1 77 ARG N 3.000 2.700 3.000 2.837 2.746 2.987 . 0 0 "[ . 1 . 2]" 2
43 1 74 ASP O 1 78 SER H 2.000 . 2.000 1.942 1.816 2.014 0.014 14 0 "[ . 1 . 2]" 2
44 1 74 ASP O 1 78 SER N 3.000 2.700 3.000 2.846 2.698 2.944 0.002 11 0 "[ . 1 . 2]" 2
45 1 76 SER O 1 80 LEU H 2.000 . 2.000 1.963 1.843 2.009 0.009 6 0 "[ . 1 . 2]" 2
46 1 76 SER O 1 80 LEU N 3.000 2.700 3.000 2.929 2.818 2.989 . 0 0 "[ . 1 . 2]" 2
47 1 77 ARG O 1 81 VAL H 2.000 . 2.000 2.002 1.929 2.018 0.018 14 0 "[ . 1 . 2]" 2
48 1 77 ARG O 1 81 VAL N 3.000 2.700 3.000 2.935 2.855 2.996 . 0 0 "[ . 1 . 2]" 2
49 1 79 ALA O 1 82 GLY H 2.000 . 2.000 2.026 2.017 2.037 0.037 6 0 "[ . 1 . 2]" 2
50 1 79 ALA O 1 82 GLY N 3.000 2.700 3.000 2.706 2.691 2.750 0.009 16 0 "[ . 1 . 2]" 2
51 1 45 ASP H 1 56 LEU O 2.000 . 2.000 1.883 1.793 2.010 0.010 14 0 "[ . 1 . 2]" 2
52 1 45 ASP N 1 56 LEU O 3.000 2.700 3.000 2.838 2.740 2.968 . 0 0 "[ . 1 . 2]" 2
53 1 47 GLN H 1 54 VAL O 2.000 . 2.000 1.914 1.833 2.009 0.009 6 0 "[ . 1 . 2]" 2
54 1 47 GLN N 1 54 VAL O 3.000 2.700 3.000 2.806 2.729 2.942 . 0 0 "[ . 1 . 2]" 2
55 1 43 GLY O 1 58 ASP H 2.000 . 2.000 1.980 1.882 2.010 0.010 20 0 "[ . 1 . 2]" 2
56 1 43 GLY O 1 58 ASP N 3.000 2.700 3.000 2.888 2.715 2.960 . 0 0 "[ . 1 . 2]" 2
57 1 47 GLN O 1 54 VAL H 2.000 . 2.000 1.953 1.871 2.007 0.007 18 0 "[ . 1 . 2]" 2
58 1 47 GLN O 1 54 VAL N 3.000 2.700 3.000 2.869 2.756 2.961 . 0 0 "[ . 1 . 2]" 2
59 1 45 ASP O 1 56 LEU H 2.000 . 2.000 1.947 1.801 2.005 0.005 6 0 "[ . 1 . 2]" 2
60 1 45 ASP O 1 56 LEU N 3.000 2.700 3.000 2.803 2.687 2.891 0.013 19 0 "[ . 1 . 2]" 2
61 1 34 ASN O 1 37 ASP H 2.000 . 2.000 1.987 1.797 2.010 0.010 15 0 "[ . 1 . 2]" 2
62 1 34 ASN O 1 37 ASP N 3.000 2.700 3.000 2.880 2.769 2.953 . 0 0 "[ . 1 . 2]" 2
63 1 35 VAL O 1 38 LEU H 2.000 . 2.000 2.011 2.003 2.020 0.020 9 0 "[ . 1 . 2]" 2
64 1 35 VAL O 1 38 LEU N 3.000 2.700 3.000 2.938 2.895 2.972 . 0 0 "[ . 1 . 2]" 2
65 1 36 VAL O 1 39 GLY H 2.000 . 2.000 1.947 1.847 2.005 0.005 13 0 "[ . 1 . 2]" 2
66 1 36 VAL O 1 39 GLY N 3.000 2.700 3.000 2.836 2.733 2.926 . 0 0 "[ . 1 . 2]" 2
67 1 59 MET O 1 94 VAL H 2.000 . 2.000 1.985 1.838 2.026 0.026 20 0 "[ . 1 . 2]" 2
68 1 59 MET O 1 94 VAL N 3.000 2.700 3.000 2.917 2.767 3.008 0.008 20 0 "[ . 1 . 2]" 2
69 1 28 ASP H 1 33 ILE O 2.000 . 2.000 1.919 1.796 2.011 0.011 18 0 "[ . 1 . 2]" 2
70 1 28 ASP N 1 33 ILE O 3.000 2.700 3.000 2.826 2.698 2.930 0.002 4 0 "[ . 1 . 2]" 2
71 1 28 ASP O 1 33 ILE H 2.000 . 2.000 1.999 1.917 2.015 0.015 20 0 "[ . 1 . 2]" 2
72 1 28 ASP O 1 33 ILE N 3.000 2.700 3.000 2.830 2.724 2.902 . 0 0 "[ . 1 . 2]" 2
73 1 40 LEU O 1 43 GLY H 2.000 . 2.000 1.941 1.869 2.011 0.011 3 0 "[ . 1 . 2]" 2
74 1 40 LEU O 1 43 GLY N 3.000 2.700 3.000 2.892 2.810 2.991 . 0 0 "[ . 1 . 2]" 2
75 1 101 PRO O 1 104 ILE H 2.000 . 2.000 2.005 1.999 2.013 0.013 6 0 "[ . 1 . 2]" 2
76 1 101 PRO O 1 104 ILE N 3.000 2.700 3.000 2.920 2.821 2.965 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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