NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384486 |
1kjs   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kjs
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 865
_Distance_constraint_stats_list.Viol_count 2430
_Distance_constraint_stats_list.Viol_total 4855.350
_Distance_constraint_stats_list.Viol_max 1.194
_Distance_constraint_stats_list.Viol_rms 0.0597
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.0999
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 14.353 0.477 7 0 "[ . 1 . 2]"
1 2 LEU 2.848 0.126 7 0 "[ . 1 . 2]"
1 3 GLN 11.639 0.477 7 0 "[ . 1 . 2]"
1 4 LYS 10.059 0.366 7 0 "[ . 1 . 2]"
1 5 LYS 8.502 0.430 9 0 "[ . 1 . 2]"
1 6 ILE 5.607 0.207 3 0 "[ . 1 . 2]"
1 7 GLU 1.278 0.095 16 0 "[ . 1 . 2]"
1 8 GLU 9.668 0.207 3 0 "[ . 1 . 2]"
1 9 ILE 1.896 0.147 7 0 "[ . 1 . 2]"
1 10 ALA 13.426 1.045 17 14 "[ ****** *****. +-*2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 5.825 0.196 13 0 "[ . 1 . 2]"
1 13 TYR 9.484 0.157 18 0 "[ . 1 . 2]"
1 14 LYS 1.872 0.126 4 0 "[ . 1 . 2]"
1 15 HIS 4.049 0.198 5 0 "[ . 1 . 2]"
1 16 SER 3.937 0.233 20 0 "[ . 1 . 2]"
1 17 VAL 5.192 0.233 20 0 "[ . 1 . 2]"
1 18 VAL 18.052 0.439 20 0 "[ . 1 . 2]"
1 19 LYS 2.174 0.099 2 0 "[ . 1 . 2]"
1 20 LYS 3.306 0.123 2 0 "[ . 1 . 2]"
1 21 CYS 2.319 0.092 20 0 "[ . 1 . 2]"
1 22 CYS 16.702 1.045 17 14 "[ ****** *****. +-*2]"
1 23 TYR 12.217 0.303 19 0 "[ . 1 . 2]"
1 24 ASP 4.734 0.126 4 0 "[ . 1 . 2]"
1 25 GLY 2.895 0.169 3 0 "[ . 1 . 2]"
1 26 ALA 0.957 0.055 1 0 "[ . 1 . 2]"
1 27 CYS 0.017 0.017 20 0 "[ . 1 . 2]"
1 28 VAL 7.337 0.420 5 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASN 0.212 0.050 9 0 "[ . 1 . 2]"
1 31 ASP 0.212 0.050 9 0 "[ . 1 . 2]"
1 32 GLU 1.781 0.141 10 0 "[ . 1 . 2]"
1 33 THR 1.942 0.141 10 0 "[ . 1 . 2]"
1 34 CYS 2.069 0.114 14 0 "[ . 1 . 2]"
1 35 GLU 5.592 0.157 3 0 "[ . 1 . 2]"
1 36 GLN 0.458 0.074 1 0 "[ . 1 . 2]"
1 37 ARG 1.967 0.114 14 0 "[ . 1 . 2]"
1 38 ALA 4.604 0.219 16 0 "[ . 1 . 2]"
1 39 ALA 0.428 0.065 19 0 "[ . 1 . 2]"
1 40 ARG 5.815 0.219 16 0 "[ . 1 . 2]"
1 41 ILE 8.439 0.304 12 0 "[ . 1 . 2]"
1 42 SER 17.163 0.378 12 0 "[ . 1 . 2]"
1 43 LEU 7.276 0.378 12 0 "[ . 1 . 2]"
1 44 GLY 2.585 0.146 20 0 "[ . 1 . 2]"
1 45 PRO 2.849 0.142 15 0 "[ . 1 . 2]"
1 46 ARG 0.951 0.065 1 0 "[ . 1 . 2]"
1 47 CYS 4.434 0.146 5 0 "[ . 1 . 2]"
1 48 ILE 2.843 0.102 10 0 "[ . 1 . 2]"
1 49 LYS 3.261 0.135 14 0 "[ . 1 . 2]"
1 50 ALA 15.480 0.439 20 0 "[ . 1 . 2]"
1 51 PHE 23.103 0.259 19 0 "[ . 1 . 2]"
1 52 THR 26.315 1.194 13 20 [-***********+*******]
1 53 GLU 8.769 0.205 13 0 "[ . 1 . 2]"
1 54 CYS 3.388 0.135 12 0 "[ . 1 . 2]"
1 55 CYS 7.738 0.168 11 0 "[ . 1 . 2]"
1 56 VAL 27.867 1.194 13 20 [-***********+*******]
1 57 VAL 8.011 0.162 1 0 "[ . 1 . 2]"
1 58 ALA 5.549 0.162 1 0 "[ . 1 . 2]"
1 59 SER 10.937 0.372 6 0 "[ . 1 . 2]"
1 60 GLN 5.954 0.183 18 0 "[ . 1 . 2]"
1 61 LEU 11.799 0.252 13 0 "[ . 1 . 2]"
1 62 ARG 10.711 0.420 5 0 "[ . 1 . 2]"
1 63 ALA 4.111 0.144 4 0 "[ . 1 . 2]"
1 64 ASN 0.270 0.093 3 0 "[ . 1 . 2]"
1 65 ILE 1.092 0.127 7 0 "[ . 1 . 2]"
1 66 SER 1.976 0.127 7 0 "[ . 1 . 2]"
1 67 HIS 1.725 0.073 2 0 "[ . 1 . 2]"
1 68 LYS 0.108 0.039 20 0 "[ . 1 . 2]"
1 69 ASP 6.766 0.338 19 0 "[ . 1 . 2]"
1 70 MET 1.007 0.079 13 0 "[ . 1 . 2]"
1 71 GLN 1.300 0.073 2 0 "[ . 1 . 2]"
1 72 LEU 2.238 0.149 15 0 "[ . 1 . 2]"
1 73 GLY 5.930 0.222 9 0 "[ . 1 . 2]"
1 74 ARG 7.652 0.338 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HB3 1 4 LYS HA 2.890 . 5.000 4.360 3.522 4.621 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET HB2 2.950 . 3.800 3.002 2.975 3.018 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 LEU HB3 2.950 . 5.000 5.010 4.929 5.047 0.047 20 0 "[ . 1 . 2]" 1
4 1 1 MET ME 1 4 LYS HG3 3.300 . 5.800 3.623 2.418 4.802 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HB3 1 4 LYS HG3 3.300 . 3.800 3.826 3.639 4.092 0.292 19 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 1 MET HG3 2.700 . 2.800 2.273 2.053 2.690 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET HB3 1 1 MET HG3 2.650 . 2.800 2.689 2.402 2.876 0.076 12 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 1 MET HG3 2.650 . 3.800 2.518 1.968 3.129 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET HA 1 73 GLY H 2.570 . 5.000 5.129 5.068 5.222 0.222 9 0 "[ . 1 . 2]" 1
10 1 1 MET HA 1 2 LEU H 3.840 . 5.000 2.507 2.217 2.567 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HA 1 3 GLN H 2.000 . 3.000 2.954 2.874 3.477 0.477 7 0 "[ . 1 . 2]" 1
12 1 1 MET HA 1 4 LYS H 3.000 3.000 4.000 4.148 4.115 4.366 0.366 7 0 "[ . 1 . 2]" 1
13 1 1 MET HB3 1 3 GLN H 2.000 . 3.000 3.171 2.041 3.273 0.273 13 0 "[ . 1 . 2]" 1
14 1 1 MET HB3 1 4 LYS H 3.000 3.000 4.000 2.875 2.819 2.902 0.181 6 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 2 LEU MD2 4.090 . 6.000 4.310 4.262 4.350 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU H 1 72 LEU MD2 4.090 . 6.000 2.505 2.307 2.689 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU H 1 3 GLN HB3 3.990 . 5.000 5.072 5.036 5.126 0.126 7 0 "[ . 1 . 2]" 1
18 1 2 LEU H 1 2 LEU HG 3.100 . 5.000 4.476 4.435 4.536 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU MD1 1 72 LEU HB2 2.560 . 5.000 3.982 3.846 4.038 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HA 1 3 GLN H 2.640 . 3.800 3.236 3.148 3.389 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU HA 1 73 GLY H 3.140 . 3.800 3.854 3.824 3.883 0.083 4 0 "[ . 1 . 2]" 1
22 1 2 LEU MD1 1 73 GLY H 3.140 . 6.000 4.695 4.421 4.862 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU H 1 3 GLN H 2.600 2.600 4.200 2.744 2.614 2.838 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLN HA 1 3 GLN HG3 2.600 . 5.000 3.909 3.511 4.136 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLN H 1 72 LEU HA 2.640 . 5.000 5.107 5.071 5.149 0.149 15 0 "[ . 1 . 2]" 1
26 1 3 GLN H 1 74 ARG HG3 3.070 . 5.000 5.027 4.945 5.076 0.076 16 0 "[ . 1 . 2]" 1
27 1 3 GLN H 1 73 GLY H 3.490 . 5.000 5.113 5.054 5.192 0.192 1 0 "[ . 1 . 2]" 1
28 1 3 GLN H 1 5 LYS H 4.130 . 5.000 4.905 4.453 5.024 0.024 1 0 "[ . 1 . 2]" 1
29 1 3 GLN H 1 4 LYS H 4.130 . 5.000 2.441 2.244 2.553 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLN H 1 4 LYS HA 3.810 . 5.000 4.193 4.137 4.288 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLN HE22 1 3 GLN HG2 3.550 . 5.000 3.801 3.516 4.126 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN HB2 1 6 ILE H 2.940 . 4.800 4.480 3.303 4.820 0.020 17 0 "[ . 1 . 2]" 1
33 1 3 GLN HA 1 6 ILE H 3.490 . 4.800 3.397 3.216 3.596 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLN HA 1 5 LYS H 2.830 . 5.000 4.237 3.253 4.728 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLN HB3 1 7 GLU H 2.790 . 5.000 4.923 4.665 5.039 0.039 19 0 "[ . 1 . 2]" 1
36 1 3 GLN H 1 3 GLN HG2 3.450 . 5.000 2.819 2.679 3.548 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLN H 1 3 GLN HG3 3.230 . 5.000 4.095 2.871 4.402 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLN HA 1 4 LYS H 2.830 . 4.800 2.664 2.582 2.772 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLN H 1 72 LEU HG 3.100 . 4.800 4.414 4.243 4.707 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLN HA 1 6 ILE HB 2.000 . 5.000 2.993 2.417 3.947 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS HE3 1 8 GLU HA 3.240 . 5.000 4.721 4.142 4.894 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS HA 1 5 LYS H 3.140 . 3.800 3.552 3.216 3.601 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS HA 1 7 GLU HG2 3.960 . 5.000 3.947 2.149 5.033 0.033 5 0 "[ . 1 . 2]" 1
44 1 4 LYS HE3 1 8 GLU H 3.380 . 3.800 3.811 3.467 3.879 0.079 18 0 "[ . 1 . 2]" 1
45 1 4 LYS H 1 7 GLU H 4.360 . 5.000 4.052 3.790 4.789 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS H 1 5 LYS HA 2.830 . 5.000 5.094 4.926 5.190 0.190 7 0 "[ . 1 . 2]" 1
47 1 4 LYS H 1 6 ILE HG12 3.670 . 5.000 4.261 3.792 5.004 0.004 7 0 "[ . 1 . 2]" 1
48 1 4 LYS HA 1 4 LYS HD2 3.250 . 5.000 3.561 1.866 4.483 0.034 20 0 "[ . 1 . 2]" 1
49 1 4 LYS HB3 1 4 LYS HE3 3.690 . 3.800 3.506 2.718 3.899 0.099 6 0 "[ . 1 . 2]" 1
50 1 4 LYS H 1 5 LYS H 2.500 2.500 3.100 2.508 2.410 2.620 0.090 6 0 "[ . 1 . 2]" 1
51 1 4 LYS HA 1 7 GLU H 3.000 3.000 4.000 3.660 3.495 4.085 0.085 13 0 "[ . 1 . 2]" 1
52 1 4 LYS HA 1 7 GLU HB3 3.000 3.000 5.000 3.561 2.973 4.649 0.027 20 0 "[ . 1 . 2]" 1
53 1 5 LYS H 1 5 LYS HA 2.830 . 3.800 2.900 2.849 2.967 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HG2 1 8 GLU HG2 3.540 . 5.000 5.000 4.324 5.166 0.166 18 0 "[ . 1 . 2]" 1
55 1 5 LYS H 1 5 LYS HG3 3.670 . 3.800 3.883 3.212 4.230 0.430 9 0 "[ . 1 . 2]" 1
56 1 5 LYS HD3 1 61 LEU MD1 2.640 . 5.000 2.846 1.768 4.115 0.132 13 0 "[ . 1 . 2]" 1
57 1 5 LYS H 1 6 ILE HG12 3.670 . 5.000 3.418 3.163 3.709 . 0 0 "[ . 1 . 2]" 1
58 1 5 LYS HA 1 6 ILE H 3.490 . 3.800 3.409 3.333 3.515 . 0 0 "[ . 1 . 2]" 1
59 1 5 LYS HG3 1 8 GLU HG2 3.340 . 5.000 4.145 3.520 4.753 . 0 0 "[ . 1 . 2]" 1
60 1 5 LYS HA 1 8 GLU H 3.050 . 3.800 3.713 3.560 3.845 0.045 19 0 "[ . 1 . 2]" 1
61 1 5 LYS HB3 1 6 ILE HG12 3.170 . 3.800 3.561 2.869 3.948 0.148 12 0 "[ . 1 . 2]" 1
62 1 5 LYS H 1 7 GLU H 4.360 . 5.000 3.975 2.852 4.326 . 0 0 "[ . 1 . 2]" 1
63 1 5 LYS HA 1 5 LYS HB3 2.970 . 3.800 2.857 2.726 3.021 . 0 0 "[ . 1 . 2]" 1
64 1 5 LYS HG3 1 6 ILE H 3.420 . 5.000 3.850 3.368 5.028 0.028 16 0 "[ . 1 . 2]" 1
65 1 6 ILE HA 1 8 GLU HG2 3.390 . 3.800 3.724 3.546 3.822 0.022 8 0 "[ . 1 . 2]" 1
66 1 6 ILE MD 1 58 ALA HA 2.660 . 3.800 2.723 2.251 3.004 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE H 1 7 GLU H 3.120 . 3.800 2.188 2.101 2.305 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE H 1 8 GLU H 3.170 . 3.800 3.478 3.356 3.606 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE HG12 1 8 GLU HG2 3.340 . 5.000 5.165 5.137 5.207 0.207 3 0 "[ . 1 . 2]" 1
70 1 6 ILE MD 1 58 ALA H 3.290 . 4.800 2.881 2.660 3.079 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE HA 1 7 GLU H 3.870 . 5.000 3.526 3.472 3.559 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE HA 1 8 GLU H 4.320 . 5.000 3.895 3.754 4.044 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 7 GLU HA 4.310 . 5.000 4.930 4.856 5.022 0.022 12 0 "[ . 1 . 2]" 1
74 1 6 ILE HG13 1 54 CYS HB3 4.070 . 5.000 5.021 4.768 5.071 0.071 12 0 "[ . 1 . 2]" 1
75 1 6 ILE MD 1 54 CYS HB3 3.060 . 4.800 3.133 2.664 3.859 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE HA 1 10 ALA H 3.760 . 5.000 3.905 3.572 4.089 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE HB 1 8 GLU H 2.870 . 5.000 4.779 4.645 4.960 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE HA 1 6 ILE HG12 3.500 . 3.800 2.998 2.792 3.144 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE HA 1 6 ILE MG 2.990 . 4.800 2.158 2.043 2.396 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 61 LEU MD1 3.270 . 5.000 4.275 4.240 4.311 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 6 ILE HG13 3.500 . 3.800 3.424 3.319 3.581 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE H 1 6 ILE MD 3.270 . 5.000 3.470 3.263 3.781 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE H 1 6 ILE HG12 3.420 . 3.800 2.033 1.883 2.380 0.017 13 0 "[ . 1 . 2]" 1
84 1 6 ILE H 1 6 ILE HB 2.950 . 3.800 2.670 2.521 2.803 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE H 1 8 GLU HG2 2.950 . 3.800 3.769 3.719 3.809 0.009 9 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 57 VAL HB 2.260 . 5.000 3.260 3.086 3.714 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 9 ILE H 3.000 3.000 4.000 3.314 3.175 3.478 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 9 ILE HB 3.000 3.000 4.000 3.843 3.491 4.081 0.081 18 0 "[ . 1 . 2]" 1
89 1 6 ILE MD 1 58 ALA MB 2.000 . 4.000 2.093 1.878 2.320 0.122 4 0 "[ . 1 . 2]" 1
90 1 7 GLU HA 1 9 ILE H 4.310 . 5.000 4.508 4.338 4.646 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 7 GLU HA 2.930 . 3.800 2.918 2.891 2.935 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU HA 1 8 GLU HA 2.700 . 5.000 4.760 4.737 4.793 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU H 1 7 GLU HB3 2.970 . 3.800 2.585 2.396 3.547 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU H 1 8 GLU HA 3.280 . 5.000 5.034 4.971 5.095 0.095 16 0 "[ . 1 . 2]" 1
95 1 7 GLU H 1 7 GLU HB2 3.440 . 3.800 3.020 2.238 3.651 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLU HB2 1 7 GLU HG2 2.380 . 2.800 2.669 2.407 2.826 0.026 4 0 "[ . 1 . 2]" 1
97 1 7 GLU H 1 9 ILE H 3.120 . 5.000 4.192 4.050 4.352 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU HA 1 8 GLU H 3.670 . 3.800 3.444 3.408 3.464 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLU HA 1 11 ALA H 4.100 . 5.000 3.662 3.400 3.938 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLU HA 1 10 ALA H 3.650 . 3.800 3.423 3.273 3.650 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU HA 1 10 ALA MB 2.000 . 4.000 2.308 2.037 2.577 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLU H 1 8 GLU HB3 3.220 . 3.800 2.506 2.447 2.580 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLU H 1 10 ALA H 4.200 . 5.000 3.733 3.581 4.039 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLU HG2 1 9 ILE H 2.950 . 3.800 2.122 1.980 2.366 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLU HA 1 9 ILE H 3.590 . 3.800 3.569 3.546 3.588 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLU HG3 1 12 LYS H 2.970 . 5.000 5.150 5.105 5.196 0.196 13 0 "[ . 1 . 2]" 1
107 1 8 GLU HA 1 8 GLU HG3 3.340 . 3.800 3.640 3.600 3.682 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLU HA 1 8 GLU HB3 2.860 . 3.800 2.542 2.487 2.570 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLU H 1 8 GLU HG2 2.870 . 3.800 2.157 1.965 2.309 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLU H 1 8 GLU HG3 3.320 . 3.800 3.336 3.135 3.441 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLU HA 1 11 ALA H 3.540 . 3.800 3.607 3.472 3.750 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLU HA 1 11 ALA MB 2.730 . 3.800 2.841 2.647 2.981 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLU H 1 9 ILE H 3.170 . 3.800 2.535 2.444 2.614 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLU HG2 1 9 ILE HA 3.500 . 5.000 4.512 4.357 4.764 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLU HA 1 8 GLU HB2 2.730 . 2.800 2.409 2.379 2.462 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLU HA 1 8 GLU HG2 2.650 . 3.800 3.777 3.738 3.838 0.038 18 0 "[ . 1 . 2]" 1
117 1 9 ILE HA 1 9 ILE MD 2.650 . 3.800 2.130 1.799 2.558 0.101 17 0 "[ . 1 . 2]" 1
118 1 9 ILE H 1 9 ILE MD 3.270 . 5.000 4.090 4.018 4.133 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE HA 1 11 ALA H 3.930 . 5.000 4.473 4.217 4.719 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE HB 1 9 ILE MG 2.720 . 2.800 2.143 2.133 2.149 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE HA 1 12 LYS HB2 3.710 . 5.000 4.389 4.218 4.504 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE MD 1 13 TYR HD1 3.850 . 6.000 3.662 3.368 3.806 . 0 0 "[ . 1 . 2]" 1
123 1 9 ILE HA 1 10 ALA H 3.630 . 3.800 3.495 3.431 3.561 . 0 0 "[ . 1 . 2]" 1
124 1 9 ILE H 1 9 ILE HB 2.940 . 3.800 2.510 2.236 2.767 . 0 0 "[ . 1 . 2]" 1
125 1 9 ILE HA 1 9 ILE MG 2.830 . 4.800 3.179 3.121 3.198 . 0 0 "[ . 1 . 2]" 1
126 1 9 ILE HA 1 12 LYS H 3.740 . 3.800 3.218 2.996 3.374 . 0 0 "[ . 1 . 2]" 1
127 1 9 ILE H 1 10 ALA H 2.990 . 3.800 2.450 2.342 2.599 . 0 0 "[ . 1 . 2]" 1
128 1 9 ILE H 1 9 ILE MG 3.420 . 4.800 2.187 1.820 2.776 0.080 19 0 "[ . 1 . 2]" 1
129 1 9 ILE MG 1 10 ALA H 3.420 . 4.800 2.047 1.753 2.385 0.147 7 0 "[ . 1 . 2]" 1
130 1 9 ILE HA 1 12 LYS HB3 2.500 2.500 4.500 3.472 3.012 3.862 . 0 0 "[ . 1 . 2]" 1
131 1 9 ILE MG 1 10 ALA HA 2.000 . 4.500 3.127 2.875 3.379 . 0 0 "[ . 1 . 2]" 1
132 1 9 ILE MG 1 53 GLU HB3 3.000 3.000 6.000 4.755 4.022 4.887 . 0 0 "[ . 1 . 2]" 1
133 1 9 ILE MG 1 53 GLU HG3 2.000 . 5.000 3.735 3.120 3.941 . 0 0 "[ . 1 . 2]" 1
134 1 9 ILE MG 1 54 CYS HB3 2.000 . 5.000 3.978 3.592 4.176 . 0 0 "[ . 1 . 2]" 1
135 1 9 ILE MD 1 13 TYR HA 3.000 3.000 5.000 4.058 3.764 4.194 . 0 0 "[ . 1 . 2]" 1
136 1 10 ALA H 1 10 ALA MB 2.690 . 3.800 2.120 2.021 2.260 . 0 0 "[ . 1 . 2]" 1
137 1 10 ALA HA 1 13 TYR H 3.690 . 5.000 4.823 4.702 4.947 . 0 0 "[ . 1 . 2]" 1
138 1 10 ALA H 1 11 ALA H 3.220 . 3.800 2.600 2.405 2.751 . 0 0 "[ . 1 . 2]" 1
139 1 10 ALA MB 1 12 LYS H 3.570 . 5.000 4.275 4.230 4.317 . 0 0 "[ . 1 . 2]" 1
140 1 10 ALA MB 1 22 CYS QB 3.840 3.000 6.000 2.350 1.955 2.849 1.045 17 14 "[ ****** *****. +-*2]" 1
141 1 10 ALA MB 1 19 LYS HA 3.460 . 5.000 2.725 2.498 2.907 . 0 0 "[ . 1 . 2]" 1
142 1 10 ALA HA 1 11 ALA H 3.850 . 5.000 3.548 3.520 3.570 . 0 0 "[ . 1 . 2]" 1
143 1 10 ALA MB 1 11 ALA HA 3.670 . 5.000 3.731 3.656 3.829 . 0 0 "[ . 1 . 2]" 1
144 1 10 ALA MB 1 11 ALA H 3.430 . 4.800 2.437 2.223 2.620 . 0 0 "[ . 1 . 2]" 1
145 1 10 ALA HA 1 19 LYS HA 3.000 3.000 4.000 3.313 2.998 3.732 0.002 16 0 "[ . 1 . 2]" 1
146 1 11 ALA H 1 11 ALA HA 2.950 . 3.800 2.883 2.852 2.918 . 0 0 "[ . 1 . 2]" 1
147 1 11 ALA MB 1 13 TYR H 2.880 . 5.000 4.254 4.227 4.295 . 0 0 "[ . 1 . 2]" 1
148 1 11 ALA MB 1 12 LYS H 2.880 . 4.800 2.800 2.677 2.938 . 0 0 "[ . 1 . 2]" 1
149 1 11 ALA H 1 11 ALA MB 2.770 . 3.800 2.170 2.040 2.253 . 0 0 "[ . 1 . 2]" 1
150 1 11 ALA H 1 13 TYR H 3.300 . 5.000 4.705 4.604 4.794 . 0 0 "[ . 1 . 2]" 1
151 1 11 ALA H 1 12 LYS H 3.300 . 3.800 2.552 2.388 2.673 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS HA 1 13 TYR H 2.840 . 3.800 2.769 2.735 2.797 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS H 1 12 LYS HA 2.840 . 3.800 2.956 2.947 2.963 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HD3 1 12 LYS HG3 2.820 . 3.800 2.666 2.542 2.842 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HG3 1 13 TYR H 3.340 . 3.800 3.828 3.812 3.850 0.050 13 0 "[ . 1 . 2]" 1
156 1 12 LYS H 1 12 LYS HG3 3.340 . 3.800 2.613 2.147 2.803 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS HD3 1 13 TYR H 3.320 . 5.000 4.955 4.909 4.992 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HB2 1 13 TYR H 3.080 . 5.000 4.548 4.485 4.585 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS H 1 12 LYS HB2 3.080 . 3.800 3.699 3.682 3.718 . 0 0 "[ . 1 . 2]" 1
160 1 12 LYS HA 1 13 TYR HB2 4.160 . 5.000 5.099 5.068 5.154 0.154 7 0 "[ . 1 . 2]" 1
161 1 12 LYS H 1 12 LYS HD3 3.320 . 5.000 4.725 4.505 4.814 . 0 0 "[ . 1 . 2]" 1
162 1 12 LYS HD3 1 13 TYR HD1 4.480 . 5.000 5.013 4.977 5.032 0.032 2 0 "[ . 1 . 2]" 1
163 1 12 LYS HA 1 12 LYS HD3 3.140 . 5.000 3.782 3.687 3.896 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS H 1 13 TYR H 2.900 2.900 3.500 3.224 3.167 3.269 . 0 0 "[ . 1 . 2]" 1
165 1 13 TYR HD1 1 18 VAL HB 4.270 . 5.000 4.087 3.795 4.261 . 0 0 "[ . 1 . 2]" 1
166 1 13 TYR HD1 1 18 VAL MG2 3.430 . 5.000 3.924 3.595 4.058 . 0 0 "[ . 1 . 2]" 1
167 1 13 TYR HB3 1 19 LYS HA 3.730 . 5.000 5.054 5.015 5.087 0.087 5 0 "[ . 1 . 2]" 1
168 1 13 TYR HB3 1 18 VAL HA 3.470 . 5.000 4.922 4.824 4.987 . 0 0 "[ . 1 . 2]" 1
169 1 13 TYR H 1 13 TYR HB3 3.570 . 3.800 3.591 3.554 3.635 . 0 0 "[ . 1 . 2]" 1
170 1 13 TYR HB2 1 18 VAL H 3.810 . 5.000 5.122 5.046 5.157 0.157 18 0 "[ . 1 . 2]" 1
171 1 13 TYR HB3 1 19 LYS H 4.130 . 5.000 4.451 4.296 4.590 . 0 0 "[ . 1 . 2]" 1
172 1 13 TYR HB2 1 19 LYS H 4.140 . 5.000 4.307 4.187 4.524 . 0 0 "[ . 1 . 2]" 1
173 1 13 TYR H 1 13 TYR HB2 3.230 . 3.800 2.377 2.309 2.417 . 0 0 "[ . 1 . 2]" 1
174 1 13 TYR HB2 1 13 TYR HD1 3.420 . 3.800 3.748 3.743 3.750 . 0 0 "[ . 1 . 2]" 1
175 1 13 TYR HB2 1 18 VAL MG2 3.670 . 5.000 4.035 3.789 4.133 . 0 0 "[ . 1 . 2]" 1
176 1 13 TYR HB3 1 14 LYS HA 3.210 . 5.000 4.687 4.580 4.744 . 0 0 "[ . 1 . 2]" 1
177 1 13 TYR HD1 1 18 VAL MG1 3.850 . 6.000 2.740 2.651 2.841 . 0 0 "[ . 1 . 2]" 1
178 1 13 TYR HA 1 13 TYR HD1 3.970 . 5.000 1.887 1.842 1.953 0.058 4 0 "[ . 1 . 2]" 1
179 1 13 TYR H 1 14 LYS H 3.600 3.600 4.400 4.486 4.429 4.526 0.126 4 0 "[ . 1 . 2]" 1
180 1 13 TYR HA 1 14 LYS H 2.000 . 4.000 2.233 2.180 2.272 . 0 0 "[ . 1 . 2]" 1
181 1 13 TYR HA 1 18 VAL MG1 2.000 . 5.000 3.923 3.859 4.029 . 0 0 "[ . 1 . 2]" 1
182 1 13 TYR HB3 1 18 VAL HB 2.000 . 5.000 1.946 1.912 1.988 0.088 8 0 "[ . 1 . 2]" 1
183 1 13 TYR HB3 1 18 VAL MG1 2.000 . 6.000 2.748 2.470 3.106 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS H 1 15 HIS H 3.000 3.000 4.000 3.238 3.001 3.537 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS HA 1 15 HIS H 2.000 . 4.000 2.808 2.630 2.934 . 0 0 "[ . 1 . 2]" 1
186 1 14 LYS HB3 1 15 HIS HD1 2.000 . 5.000 4.346 3.404 5.094 0.094 2 0 "[ . 1 . 2]" 1
187 1 15 HIS H 1 15 HIS HB2 3.390 . 3.800 3.039 2.942 3.106 . 0 0 "[ . 1 . 2]" 1
188 1 15 HIS HB2 1 18 VAL MG1 3.550 . 5.000 4.198 4.109 4.237 . 0 0 "[ . 1 . 2]" 1
189 1 15 HIS H 1 15 HIS HB3 3.540 . 3.800 3.638 3.546 3.694 . 0 0 "[ . 1 . 2]" 1
190 1 15 HIS HB3 1 18 VAL MG1 3.440 . 5.000 4.248 4.223 4.308 . 0 0 "[ . 1 . 2]" 1
191 1 15 HIS HB3 1 18 VAL MG2 4.420 . 6.000 1.716 1.702 1.765 0.198 5 0 "[ . 1 . 2]" 1
192 1 15 HIS HB2 1 18 VAL HB 3.810 . 5.000 3.873 3.701 4.103 . 0 0 "[ . 1 . 2]" 1
193 1 15 HIS HB3 1 18 VAL HB 3.540 . 3.800 3.576 3.384 3.831 0.031 14 0 "[ . 1 . 2]" 1
194 1 15 HIS H 1 16 SER H 3.000 3.000 4.000 3.726 3.627 4.109 0.109 2 0 "[ . 1 . 2]" 1
195 1 15 HIS HA 1 16 SER H 2.000 . 3.000 2.210 2.176 2.228 . 0 0 "[ . 1 . 2]" 1
196 1 15 HIS HB3 1 17 VAL H 3.000 3.000 5.000 3.273 2.962 3.375 0.038 8 0 "[ . 1 . 2]" 1
197 1 15 HIS HD1 1 18 VAL MG2 3.000 3.000 5.000 3.631 3.266 4.120 . 0 0 "[ . 1 . 2]" 1
198 1 16 SER H 1 16 SER HB2 3.470 . 3.800 2.675 2.110 3.599 . 0 0 "[ . 1 . 2]" 1
199 1 16 SER H 1 17 VAL H 3.300 3.300 4.100 3.127 3.067 3.673 0.233 20 0 "[ . 1 . 2]" 1
200 1 17 VAL MG2 1 18 VAL H 3.770 . 5.000 3.837 3.626 4.028 . 0 0 "[ . 1 . 2]" 1
201 1 17 VAL HA 1 17 VAL MG2 2.870 . 4.800 2.361 2.105 2.483 . 0 0 "[ . 1 . 2]" 1
202 1 17 VAL HA 1 18 VAL H 4.000 . 5.000 3.562 3.509 3.580 . 0 0 "[ . 1 . 2]" 1
203 1 17 VAL HA 1 17 VAL MG1 2.720 . 3.800 2.351 2.162 3.183 . 0 0 "[ . 1 . 2]" 1
204 1 17 VAL HA 1 20 LYS H 3.590 . 3.800 3.417 3.215 3.809 0.009 2 0 "[ . 1 . 2]" 1
205 1 17 VAL MG1 1 18 VAL H 3.960 . 6.000 3.509 2.084 3.868 . 0 0 "[ . 1 . 2]" 1
206 1 17 VAL H 1 17 VAL MG2 3.530 . 4.800 2.192 1.840 4.078 0.060 16 0 "[ . 1 . 2]" 1
207 1 17 VAL MG1 1 17 VAL MG2 2.540 . 4.800 1.975 1.846 2.081 0.054 11 0 "[ . 1 . 2]" 1
208 1 17 VAL H 1 17 VAL MG1 2.920 . 5.000 3.700 2.753 3.768 . 0 0 "[ . 1 . 2]" 1
209 1 17 VAL HB 1 17 VAL MG2 2.720 . 2.800 2.124 2.107 2.151 . 0 0 "[ . 1 . 2]" 1
210 1 17 VAL H 1 18 VAL H 3.550 . 3.800 2.702 1.836 2.817 0.064 2 0 "[ . 1 . 2]" 1
211 1 17 VAL H 1 17 VAL HB 3.160 . 3.800 2.624 2.397 3.430 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL HA 1 20 LYS HB3 2.900 . 5.000 3.701 3.465 4.281 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL HA 1 17 VAL HB 2.900 . 3.800 3.004 2.574 3.032 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL H 1 19 LYS H 3.000 3.000 4.000 3.993 2.901 4.096 0.099 2 0 "[ . 1 . 2]" 1
215 1 17 VAL HA 1 20 LYS HE3 3.000 3.000 5.000 4.797 3.302 5.024 0.024 7 0 "[ . 1 . 2]" 1
216 1 17 VAL MG1 1 18 VAL HA 3.000 3.000 6.400 3.652 3.034 4.075 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL MG1 1 20 LYS HG3 3.000 3.000 7.400 5.454 5.157 6.022 . 0 0 "[ . 1 . 2]" 1
218 1 17 VAL MG1 1 20 LYS HE3 3.000 3.000 7.400 4.144 3.593 4.784 . 0 0 "[ . 1 . 2]" 1
219 1 18 VAL MG1 1 46 ARG HG3 2.730 . 5.000 3.241 3.065 3.408 . 0 0 "[ . 1 . 2]" 1
220 1 18 VAL MG2 1 46 ARG HA 3.640 . 5.000 3.909 3.809 3.970 . 0 0 "[ . 1 . 2]" 1
221 1 18 VAL MG1 1 19 LYS H 3.370 . 5.000 3.991 3.911 4.114 . 0 0 "[ . 1 . 2]" 1
222 1 18 VAL HB 1 19 LYS H 3.530 . 3.800 3.043 2.952 3.132 . 0 0 "[ . 1 . 2]" 1
223 1 18 VAL H 1 19 LYS H 3.250 . 3.800 2.694 2.603 2.752 . 0 0 "[ . 1 . 2]" 1
224 1 18 VAL H 1 18 VAL HB 3.270 . 3.800 2.780 2.707 2.934 . 0 0 "[ . 1 . 2]" 1
225 1 18 VAL HA 1 21 CYS HB3 3.210 . 3.800 3.855 3.793 3.892 0.092 20 0 "[ . 1 . 2]" 1
226 1 18 VAL HA 1 21 CYS H 3.480 . 3.800 3.351 3.238 3.497 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL HB 1 18 VAL MG1 2.920 . 3.800 2.136 2.116 2.146 . 0 0 "[ . 1 . 2]" 1
228 1 18 VAL MG2 1 19 LYS H 3.730 . 5.000 3.775 3.646 3.863 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL HA 1 19 LYS H 4.010 . 5.000 3.457 3.428 3.477 . 0 0 "[ . 1 . 2]" 1
230 1 18 VAL HA 1 18 VAL HB 2.840 . 3.800 3.024 3.000 3.032 . 0 0 "[ . 1 . 2]" 1
231 1 18 VAL HA 1 21 CYS HB2 3.930 . 5.000 2.338 2.304 2.381 . 0 0 "[ . 1 . 2]" 1
232 1 18 VAL HA 1 18 VAL MG1 3.060 . 4.800 2.277 2.177 2.342 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL HA 1 18 VAL MG2 3.160 . 4.800 2.536 2.488 2.613 . 0 0 "[ . 1 . 2]" 1
234 1 18 VAL H 1 18 VAL MG2 3.790 . 4.800 1.781 1.732 1.817 0.168 19 0 "[ . 1 . 2]" 1
235 1 18 VAL MG1 1 47 CYS HA 2.690 . 5.000 3.976 3.863 4.069 . 0 0 "[ . 1 . 2]" 1
236 1 18 VAL HB 1 18 VAL MG2 2.940 . 3.800 2.107 2.095 2.116 . 0 0 "[ . 1 . 2]" 1
237 1 18 VAL H 1 18 VAL MG1 3.000 . 5.000 3.731 3.687 3.752 . 0 0 "[ . 1 . 2]" 1
238 1 18 VAL MG2 1 46 ARG HB3 3.450 . 3.800 2.974 2.897 3.051 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL MG1 1 50 ALA H 3.000 3.000 5.000 4.054 3.975 4.113 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL MG1 1 50 ALA HA 2.000 . 4.000 3.351 3.081 3.463 . 0 0 "[ . 1 . 2]" 1
241 1 18 VAL MG1 1 50 ALA MB 2.000 . 5.000 1.638 1.561 1.715 0.439 20 0 "[ . 1 . 2]" 1
242 1 19 LYS HA 1 22 CYS QB 3.490 . 3.800 3.107 2.911 3.326 . 0 0 "[ . 1 . 2]" 1
243 1 19 LYS HA 1 22 CYS H 3.710 . 3.800 3.757 3.684 3.817 0.017 3 0 "[ . 1 . 2]" 1
244 1 19 LYS HA 1 20 LYS H 3.850 . 5.000 3.584 3.563 3.593 . 0 0 "[ . 1 . 2]" 1
245 1 19 LYS H 1 20 LYS H 3.470 . 3.800 2.811 2.640 3.018 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS HB2 1 19 LYS HE3 2.730 . 3.800 3.023 2.074 3.779 . 0 0 "[ . 1 . 2]" 1
247 1 19 LYS HA 1 19 LYS HG3 3.480 . 3.800 2.496 1.936 3.576 . 0 0 "[ . 1 . 2]" 1
248 1 19 LYS H 1 19 LYS HB3 3.010 . 3.800 2.877 2.433 3.551 . 0 0 "[ . 1 . 2]" 1
249 1 19 LYS H 1 19 LYS HG3 3.640 . 5.000 4.050 2.074 4.633 . 0 0 "[ . 1 . 2]" 1
250 1 19 LYS HA 1 23 TYR H 4.110 . 5.000 4.327 4.162 4.416 . 0 0 "[ . 1 . 2]" 1
251 1 19 LYS HB3 1 23 TYR HD2 3.900 . 5.000 3.692 2.997 4.839 . 0 0 "[ . 1 . 2]" 1
252 1 20 LYS HA 1 24 ASP H 3.870 . 5.000 4.114 4.052 4.168 . 0 0 "[ . 1 . 2]" 1
253 1 20 LYS HG3 1 24 ASP H 4.200 . 5.000 3.630 3.515 4.393 . 0 0 "[ . 1 . 2]" 1
254 1 20 LYS HA 1 23 TYR HD2 4.080 . 5.000 2.319 2.211 2.741 . 0 0 "[ . 1 . 2]" 1
255 1 20 LYS HA 1 22 CYS H 4.450 . 5.000 4.530 4.334 4.734 . 0 0 "[ . 1 . 2]" 1
256 1 20 LYS HB3 1 23 TYR HD2 4.380 . 5.000 5.026 4.979 5.042 0.042 8 0 "[ . 1 . 2]" 1
257 1 20 LYS HB2 1 20 LYS HE3 3.190 . 3.800 2.346 1.896 3.731 0.004 4 0 "[ . 1 . 2]" 1
258 1 20 LYS HA 1 23 TYR HB2 3.440 . 3.800 1.841 1.827 1.858 0.073 5 0 "[ . 1 . 2]" 1
259 1 20 LYS HE3 1 20 LYS HG3 3.000 . 3.800 3.558 3.444 3.782 . 0 0 "[ . 1 . 2]" 1
260 1 20 LYS HG3 1 24 ASP HB2 2.910 . 5.000 5.076 5.051 5.123 0.123 2 0 "[ . 1 . 2]" 1
261 1 20 LYS H 1 20 LYS HB3 3.090 . 3.800 2.357 2.171 2.458 . 0 0 "[ . 1 . 2]" 1
262 1 20 LYS H 1 21 CYS H 3.350 . 3.800 2.733 2.598 2.848 . 0 0 "[ . 1 . 2]" 1
263 1 20 LYS HA 1 23 TYR H 3.290 . 3.800 3.143 3.035 3.278 . 0 0 "[ . 1 . 2]" 1
264 1 20 LYS H 1 20 LYS HG3 3.690 . 5.000 4.371 4.064 4.402 . 0 0 "[ . 1 . 2]" 1
265 1 20 LYS HA 1 23 TYR HB3 3.240 . 3.800 3.210 3.018 3.315 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS HA 1 23 TYR HE2 3.000 . 5.000 4.578 4.479 5.021 0.021 2 0 "[ . 1 . 2]" 1
267 1 20 LYS HA 1 20 LYS HG3 3.090 . 3.800 2.679 2.603 3.468 . 0 0 "[ . 1 . 2]" 1
268 1 20 LYS HA 1 21 CYS H 3.000 3.000 4.000 3.560 3.549 3.572 . 0 0 "[ . 1 . 2]" 1
269 1 21 CYS H 1 22 CYS H 3.310 . 3.800 2.945 2.863 3.007 . 0 0 "[ . 1 . 2]" 1
270 1 21 CYS HA 1 22 CYS H 4.000 . 5.000 3.573 3.549 3.591 . 0 0 "[ . 1 . 2]" 1
271 1 21 CYS HB3 1 22 CYS H 3.870 . 5.000 3.340 3.264 3.420 . 0 0 "[ . 1 . 2]" 1
272 1 21 CYS HA 1 24 ASP H 3.970 . 5.000 3.822 3.781 3.871 . 0 0 "[ . 1 . 2]" 1
273 1 21 CYS H 1 21 CYS HB2 3.680 . 3.800 2.453 2.420 2.522 . 0 0 "[ . 1 . 2]" 1
274 1 21 CYS HA 1 24 ASP HB2 3.870 . 5.000 4.059 3.891 4.255 . 0 0 "[ . 1 . 2]" 1
275 1 21 CYS HA 1 47 CYS HA 4.010 . 5.000 3.992 3.832 4.098 . 0 0 "[ . 1 . 2]" 1
276 1 21 CYS HA 1 22 CYS HA 4.010 . 5.000 4.736 4.716 4.764 . 0 0 "[ . 1 . 2]" 1
277 1 21 CYS HB3 1 51 PHE H 3.980 . 5.000 2.328 2.245 2.381 . 0 0 "[ . 1 . 2]" 1
278 1 21 CYS HB3 1 47 CYS HA 3.750 . 3.800 1.896 1.857 1.988 0.043 20 0 "[ . 1 . 2]" 1
279 1 21 CYS HB2 1 50 ALA H 3.820 . 5.000 5.032 5.006 5.056 0.056 2 0 "[ . 1 . 2]" 1
280 1 21 CYS HB2 1 51 PHE H 3.940 . 5.000 3.722 3.581 3.856 . 0 0 "[ . 1 . 2]" 1
281 1 21 CYS HB3 1 51 PHE HB3 4.400 . 5.000 2.460 2.246 2.709 . 0 0 "[ . 1 . 2]" 1
282 1 21 CYS H 1 50 ALA MB 3.990 . 6.000 4.321 4.201 4.391 . 0 0 "[ . 1 . 2]" 1
283 1 21 CYS HB3 1 51 PHE HB2 4.290 . 5.000 3.908 3.687 4.115 . 0 0 "[ . 1 . 2]" 1
284 1 21 CYS H 1 21 CYS HB3 3.560 . 3.800 3.602 3.590 3.614 . 0 0 "[ . 1 . 2]" 1
285 1 21 CYS HB3 1 22 CYS HA 3.750 . 5.000 4.298 4.270 4.344 . 0 0 "[ . 1 . 2]" 1
286 1 21 CYS HB3 1 50 ALA MB 2.790 . 4.800 2.069 1.859 2.164 0.041 12 0 "[ . 1 . 2]" 1
287 1 21 CYS H 1 24 ASP H 3.360 . 5.000 5.012 4.985 5.028 0.028 10 0 "[ . 1 . 2]" 1
288 1 21 CYS CB 1 47 CYS SG 3.000 3.000 3.100 3.015 3.006 3.021 . 0 0 "[ . 1 . 2]" 1
289 1 21 CYS SG 1 47 CYS CB 3.000 3.000 3.100 3.015 3.006 3.027 . 0 0 "[ . 1 . 2]" 1
290 1 21 CYS SG 1 47 CYS SG 2.000 . 2.100 2.019 2.016 2.021 . 0 0 "[ . 1 . 2]" 1
291 1 22 CYS QB 1 50 ALA MB 3.430 . 5.000 2.912 2.828 3.040 . 0 0 "[ . 1 . 2]" 1
292 1 22 CYS HA 1 54 CYS H 2.910 . 5.000 3.748 3.576 3.848 . 0 0 "[ . 1 . 2]" 1
293 1 22 CYS QB 1 23 TYR H 3.270 . 3.800 2.968 2.834 3.106 . 0 0 "[ . 1 . 2]" 1
294 1 22 CYS H 1 23 TYR H 3.320 . 3.800 2.478 2.443 2.504 . 0 0 "[ . 1 . 2]" 1
295 1 22 CYS H 1 23 TYR HA 3.730 . 5.000 5.100 5.077 5.120 0.120 13 0 "[ . 1 . 2]" 1
296 1 22 CYS H 1 47 CYS HA 3.730 . 5.000 5.041 4.982 5.084 0.084 16 0 "[ . 1 . 2]" 1
297 1 22 CYS HA 1 54 CYS HB3 3.260 . 3.800 3.304 3.098 3.481 . 0 0 "[ . 1 . 2]" 1
298 1 22 CYS H 1 22 CYS QB 3.110 . 3.800 2.195 2.150 2.233 . 0 0 "[ . 1 . 2]" 1
299 1 22 CYS HA 1 54 CYS HA 3.140 . 5.000 5.021 4.897 5.071 0.071 20 0 "[ . 1 . 2]" 1
300 1 22 CYS HA 1 26 ALA H 3.480 . 3.800 3.771 3.599 3.841 0.041 17 0 "[ . 1 . 2]" 1
301 1 22 CYS HA 1 22 CYS QB 3.230 . 3.800 2.281 2.245 2.301 . 0 0 "[ . 1 . 2]" 1
302 1 22 CYS H 1 50 ALA MB 3.750 . 4.800 3.058 2.878 3.135 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS HA 1 51 PHE HB2 3.210 . 5.000 3.901 3.748 4.126 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS CB 1 54 CYS SG 3.000 3.000 3.100 3.022 3.006 3.045 . 0 0 "[ . 1 . 2]" 1
305 1 22 CYS SG 1 54 CYS CB 3.000 3.000 3.100 3.032 3.019 3.042 . 0 0 "[ . 1 . 2]" 1
306 1 22 CYS SG 1 54 CYS SG 2.000 . 2.100 2.017 2.015 2.019 . 0 0 "[ . 1 . 2]" 1
307 1 23 TYR HA 1 23 TYR HE2 2.830 . 5.000 5.137 5.113 5.164 0.164 8 0 "[ . 1 . 2]" 1
308 1 23 TYR HA 1 24 ASP H 3.650 . 3.800 3.576 3.569 3.583 . 0 0 "[ . 1 . 2]" 1
309 1 23 TYR H 1 24 ASP H 3.380 . 3.800 2.816 2.704 2.881 . 0 0 "[ . 1 . 2]" 1
310 1 23 TYR H 1 23 TYR HB2 3.310 . 3.800 2.093 2.068 2.111 . 0 0 "[ . 1 . 2]" 1
311 1 23 TYR H 1 23 TYR HB3 3.220 . 3.800 3.361 3.220 3.414 . 0 0 "[ . 1 . 2]" 1
312 1 23 TYR HA 1 23 TYR HD2 3.910 . 5.000 3.760 3.712 3.810 . 0 0 "[ . 1 . 2]" 1
313 1 23 TYR HB2 1 23 TYR HE2 3.080 . 5.000 4.577 4.570 4.582 . 0 0 "[ . 1 . 2]" 1
314 1 23 TYR HB3 1 23 TYR HE2 3.120 . 5.000 5.284 5.259 5.303 0.303 19 0 "[ . 1 . 2]" 1
315 1 23 TYR HB2 1 24 ASP H 3.530 . 3.800 2.857 2.800 3.035 . 0 0 "[ . 1 . 2]" 1
316 1 23 TYR HA 1 26 ALA H 3.000 3.000 4.000 3.981 3.926 4.021 0.021 16 0 "[ . 1 . 2]" 1
317 1 24 ASP HB3 1 27 CYS H 3.190 . 5.000 4.914 4.813 4.983 . 0 0 "[ . 1 . 2]" 1
318 1 24 ASP HB2 1 28 VAL HA 4.160 . 5.000 5.095 5.057 5.126 0.126 4 0 "[ . 1 . 2]" 1
319 1 24 ASP HB3 1 35 GLU HG2 3.740 . 5.000 4.850 4.300 5.034 0.034 17 0 "[ . 1 . 2]" 1
320 1 24 ASP H 1 51 PHE HA 3.650 . 5.000 5.013 4.954 5.030 0.030 8 0 "[ . 1 . 2]" 1
321 1 24 ASP H 1 24 ASP HB3 3.070 . 3.800 3.588 3.575 3.610 . 0 0 "[ . 1 . 2]" 1
322 1 24 ASP HB3 1 25 GLY H 3.530 . 3.800 3.816 3.776 3.842 0.042 14 0 "[ . 1 . 2]" 1
323 1 24 ASP HB2 1 25 GLY HA3 2.450 . 5.000 4.480 4.438 4.574 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASP HB2 1 25 GLY H 3.700 . 3.800 2.455 2.417 2.516 . 0 0 "[ . 1 . 2]" 1
325 1 24 ASP H 1 24 ASP HB2 3.290 . 3.800 2.830 2.680 2.889 . 0 0 "[ . 1 . 2]" 1
326 1 24 ASP HA 1 27 CYS H 4.030 . 5.000 2.995 2.941 3.036 . 0 0 "[ . 1 . 2]" 1
327 1 24 ASP H 1 25 GLY H 3.360 . 3.800 2.656 2.589 2.721 . 0 0 "[ . 1 . 2]" 1
328 1 24 ASP HB3 1 28 VAL HA 3.330 . 5.000 4.541 4.226 4.686 . 0 0 "[ . 1 . 2]" 1
329 1 24 ASP HA 1 26 ALA H 3.500 3.500 4.500 4.507 4.454 4.529 0.029 8 0 "[ . 1 . 2]" 1
330 1 25 GLY HA3 1 51 PHE HA 3.020 . 3.800 2.380 2.307 2.474 . 0 0 "[ . 1 . 2]" 1
331 1 25 GLY H 1 26 ALA H 3.880 . 5.000 3.099 3.067 3.147 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLY HA3 1 51 PHE H 3.120 . 5.000 5.099 5.029 5.169 0.169 3 0 "[ . 1 . 2]" 1
333 1 25 GLY H 1 55 CYS HB3 3.530 . 5.000 4.909 4.421 5.081 0.081 4 0 "[ . 1 . 2]" 1
334 1 25 GLY HA3 1 55 CYS HB2 3.470 . 3.800 3.206 2.746 3.808 0.008 10 0 "[ . 1 . 2]" 1
335 1 25 GLY H 1 51 PHE HB2 3.130 . 3.800 2.487 2.303 2.708 . 0 0 "[ . 1 . 2]" 1
336 1 25 GLY HA2 1 26 ALA H 3.890 . 5.000 3.589 3.585 3.595 . 0 0 "[ . 1 . 2]" 1
337 1 25 GLY HA3 1 51 PHE HB3 2.870 . 5.000 4.462 4.378 4.542 . 0 0 "[ . 1 . 2]" 1
338 1 25 GLY HA3 1 55 CYS H 3.510 . 3.800 2.874 2.801 2.929 . 0 0 "[ . 1 . 2]" 1
339 1 26 ALA HA 1 27 CYS H 3.810 . 5.000 3.546 3.529 3.563 . 0 0 "[ . 1 . 2]" 1
340 1 26 ALA HA 1 58 ALA H 3.700 . 5.000 4.167 3.944 4.315 . 0 0 "[ . 1 . 2]" 1
341 1 26 ALA HA 1 26 ALA MB 2.400 . 3.800 2.117 2.110 2.147 . 0 0 "[ . 1 . 2]" 1
342 1 26 ALA HA 1 28 VAL H 3.410 . 3.800 3.551 3.497 3.643 . 0 0 "[ . 1 . 2]" 1
343 1 26 ALA H 1 26 ALA MB 2.790 . 3.800 2.090 2.051 2.248 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA H 1 27 CYS H 3.350 . 3.800 2.615 2.540 2.685 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA H 1 54 CYS HA 4.250 . 5.000 5.009 4.900 5.055 0.055 1 0 "[ . 1 . 2]" 1
346 1 26 ALA MB 1 27 CYS HA 3.000 3.000 5.000 3.811 3.774 3.911 . 0 0 "[ . 1 . 2]" 1
347 1 26 ALA MB 1 54 CYS HB3 2.000 . 5.000 2.680 2.490 2.918 . 0 0 "[ . 1 . 2]" 1
348 1 27 CYS HB2 1 28 VAL HA 3.330 . 5.000 4.830 4.642 5.017 0.017 20 0 "[ . 1 . 2]" 1
349 1 27 CYS HA 1 28 VAL H 2.920 . 3.800 3.151 3.101 3.198 . 0 0 "[ . 1 . 2]" 1
350 1 27 CYS H 1 28 VAL H 3.770 . 3.800 2.659 2.621 2.699 . 0 0 "[ . 1 . 2]" 1
351 1 27 CYS H 1 27 CYS HB3 3.290 . 3.800 3.610 3.509 3.682 . 0 0 "[ . 1 . 2]" 1
352 1 27 CYS HB3 1 28 VAL H 3.750 . 5.000 4.319 4.139 4.518 . 0 0 "[ . 1 . 2]" 1
353 1 27 CYS H 1 27 CYS HB2 3.190 . 3.800 2.389 2.198 2.665 . 0 0 "[ . 1 . 2]" 1
354 1 27 CYS HA 1 28 VAL MG1 3.000 3.000 6.400 3.686 3.573 3.771 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL HA 1 28 VAL MG1 2.510 . 3.800 3.170 3.146 3.180 . 0 0 "[ . 1 . 2]" 1
356 1 28 VAL MG1 1 55 CYS HA 2.510 . 3.800 2.881 2.457 3.041 . 0 0 "[ . 1 . 2]" 1
357 1 28 VAL HB 1 28 VAL MG1 2.550 . 2.800 2.128 2.108 2.149 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL HA 1 28 VAL HB 2.950 . 3.800 2.359 2.320 2.390 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL MG1 1 62 ARG HD3 3.470 . 5.000 4.060 3.709 4.214 . 0 0 "[ . 1 . 2]" 1
360 1 28 VAL MG1 1 29 ASN H 3.140 . 6.000 4.075 3.933 4.250 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL H 1 62 ARG HE 3.770 . 5.000 5.044 5.016 5.072 0.072 10 0 "[ . 1 . 2]" 1
362 1 28 VAL H 1 28 VAL HB 3.130 . 3.800 2.691 2.637 2.781 . 0 0 "[ . 1 . 2]" 1
363 1 28 VAL HB 1 55 CYS HA 2.950 . 3.800 3.444 3.196 3.765 . 0 0 "[ . 1 . 2]" 1
364 1 28 VAL HA 1 55 CYS HB2 3.230 . 5.000 3.926 3.748 4.141 . 0 0 "[ . 1 . 2]" 1
365 1 28 VAL MG2 1 32 GLU H 3.290 . 5.800 4.639 2.876 5.203 . 0 0 "[ . 1 . 2]" 1
366 1 28 VAL MG1 1 62 ARG HE 4.260 2.500 6.000 2.369 2.080 2.725 0.420 5 0 "[ . 1 . 2]" 1
367 1 28 VAL MG1 1 58 ALA MB 3.300 . 4.800 2.839 2.627 3.016 . 0 0 "[ . 1 . 2]" 1
368 1 28 VAL H 1 29 ASN H 4.360 . 5.000 4.624 4.497 4.693 . 0 0 "[ . 1 . 2]" 1
369 1 28 VAL HA 1 35 GLU H 3.660 . 5.000 5.058 4.934 5.105 0.105 2 0 "[ . 1 . 2]" 1
370 1 28 VAL HA 1 29 ASN H 2.570 . 2.800 2.256 2.193 2.329 . 0 0 "[ . 1 . 2]" 1
371 1 28 VAL H 1 28 VAL MG1 2.810 . 4.800 2.079 1.852 2.261 0.048 19 0 "[ . 1 . 2]" 1
372 1 28 VAL H 1 55 CYS HA 3.410 . 5.000 3.954 3.838 4.044 . 0 0 "[ . 1 . 2]" 1
373 1 28 VAL MG1 1 59 SER H 4.140 . 6.000 4.590 4.231 4.886 . 0 0 "[ . 1 . 2]" 1
374 1 28 VAL MG2 1 62 ARG HE 2.500 2.500 6.000 4.204 3.728 4.757 . 0 0 "[ . 1 . 2]" 1
375 1 28 VAL MG1 1 59 SER HA 3.000 3.000 6.000 4.026 3.758 4.401 . 0 0 "[ . 1 . 2]" 1
376 1 29 ASN HA 1 30 ASN H 4.300 . 5.000 3.378 2.437 3.605 . 0 0 "[ . 1 . 2]" 1
377 1 29 ASN H 1 30 ASN H 3.540 . 5.000 3.300 2.204 4.702 . 0 0 "[ . 1 . 2]" 1
378 1 30 ASN H 1 30 ASN HB2 3.470 . 5.000 3.364 2.326 4.143 . 0 0 "[ . 1 . 2]" 1
379 1 30 ASN HB3 1 30 ASN HD22 3.830 . 5.000 3.811 3.511 4.122 . 0 0 "[ . 1 . 2]" 1
380 1 30 ASN H 1 31 ASP H 3.540 . 5.000 3.384 2.096 4.681 . 0 0 "[ . 1 . 2]" 1
381 1 30 ASN HD22 1 31 ASP HB3 3.550 . 5.000 4.684 3.344 5.050 0.050 9 0 "[ . 1 . 2]" 1
382 1 30 ASN HD21 1 31 ASP HB3 3.270 . 5.000 4.296 3.007 4.979 . 0 0 "[ . 1 . 2]" 1
383 1 30 ASN HB3 1 30 ASN HD21 3.470 . 5.000 2.935 2.246 3.616 . 0 0 "[ . 1 . 2]" 1
384 1 30 ASN HB3 1 31 ASP H 3.740 . 5.000 3.218 1.874 4.681 0.026 18 0 "[ . 1 . 2]" 1
385 1 30 ASN HA 1 31 ASP H 2.300 2.300 5.000 3.137 2.274 3.597 0.026 17 0 "[ . 1 . 2]" 1
386 1 31 ASP H 1 31 ASP HB3 3.250 . 5.000 3.164 2.473 3.965 . 0 0 "[ . 1 . 2]" 1
387 1 31 ASP H 1 32 GLU H 3.110 . 5.000 3.782 2.216 4.676 . 0 0 "[ . 1 . 2]" 1
388 1 31 ASP HA 1 32 GLU H 2.000 . 5.000 2.911 2.186 3.590 . 0 0 "[ . 1 . 2]" 1
389 1 32 GLU HA 1 34 CYS H 2.970 . 5.500 4.479 3.660 4.988 . 0 0 "[ . 1 . 2]" 1
390 1 32 GLU HB3 1 34 CYS H 3.900 . 5.000 4.986 4.783 5.110 0.110 6 0 "[ . 1 . 2]" 1
391 1 32 GLU H 1 32 GLU HB3 3.400 . 5.000 3.528 3.097 3.782 . 0 0 "[ . 1 . 2]" 1
392 1 32 GLU H 1 32 GLU HB2 3.700 . 5.000 2.384 2.124 3.283 . 0 0 "[ . 1 . 2]" 1
393 1 32 GLU HB2 1 33 THR H 4.490 . 5.000 2.648 1.904 4.350 . 0 0 "[ . 1 . 2]" 1
394 1 32 GLU H 1 33 THR H 3.500 3.500 6.000 3.548 3.359 4.285 0.141 10 0 "[ . 1 . 2]" 1
395 1 32 GLU HA 1 33 THR H 2.300 2.300 5.000 3.427 2.680 3.606 . 0 0 "[ . 1 . 2]" 1
396 1 33 THR MG 1 37 ARG H 4.050 . 6.000 4.034 3.771 4.359 . 0 0 "[ . 1 . 2]" 1
397 1 33 THR HA 1 36 GLN H 3.500 . 5.000 3.834 3.426 4.285 . 0 0 "[ . 1 . 2]" 1
398 1 33 THR H 1 33 THR HA 2.630 . 5.000 2.792 2.501 2.979 . 0 0 "[ . 1 . 2]" 1
399 1 33 THR H 1 34 CYS H 4.500 . 5.000 3.938 2.639 4.197 . 0 0 "[ . 1 . 2]" 1
400 1 33 THR HA 1 35 GLU H 3.900 . 5.000 5.031 4.858 5.096 0.096 3 0 "[ . 1 . 2]" 1
401 1 33 THR H 1 33 THR HB 3.350 . 5.000 3.552 2.873 3.807 . 0 0 "[ . 1 . 2]" 1
402 1 33 THR HA 1 34 CYS H 3.510 . 5.000 2.389 2.266 2.809 . 0 0 "[ . 1 . 2]" 1
403 1 33 THR MG 1 36 GLN H 4.030 . 6.000 4.344 3.860 5.106 . 0 0 "[ . 1 . 2]" 1
404 1 33 THR H 1 33 THR MG 3.390 . 6.000 2.648 1.846 3.346 0.054 1 0 "[ . 1 . 2]" 1
405 1 33 THR MG 1 34 CYS H 2.910 . 5.800 4.145 3.935 4.398 . 0 0 "[ . 1 . 2]" 1
406 1 33 THR HB 1 36 GLN H 3.810 . 5.000 3.951 3.592 4.788 . 0 0 "[ . 1 . 2]" 1
407 1 34 CYS HA 1 36 GLN H 3.500 . 5.000 4.556 4.085 4.886 . 0 0 "[ . 1 . 2]" 1
408 1 34 CYS HA 1 35 GLU H 3.900 . 5.000 3.520 3.484 3.556 . 0 0 "[ . 1 . 2]" 1
409 1 34 CYS HB2 1 36 GLN H 3.330 . 5.000 4.243 3.832 4.476 . 0 0 "[ . 1 . 2]" 1
410 1 34 CYS H 1 37 ARG H 4.070 . 5.000 4.142 3.794 4.445 . 0 0 "[ . 1 . 2]" 1
411 1 34 CYS HB2 1 37 ARG H 3.530 . 5.000 5.068 4.980 5.114 0.114 14 0 "[ . 1 . 2]" 1
412 1 34 CYS HA 1 38 ALA H 4.130 . 5.000 4.600 4.545 4.669 . 0 0 "[ . 1 . 2]" 1
413 1 34 CYS HA 1 37 ARG HB3 3.530 . 5.000 3.649 3.175 4.708 . 0 0 "[ . 1 . 2]" 1
414 1 34 CYS H 1 35 GLU H 4.620 . 5.000 3.468 3.072 3.686 . 0 0 "[ . 1 . 2]" 1
415 1 35 GLU HG2 1 38 ALA H 3.750 . 5.000 5.029 4.881 5.068 0.068 13 0 "[ . 1 . 2]" 1
416 1 35 GLU HB3 1 51 PHE HE2 3.260 . 5.000 4.066 3.442 4.363 . 0 0 "[ . 1 . 2]" 1
417 1 35 GLU HG2 1 51 PHE HD2 3.090 . 5.000 4.797 4.580 5.072 0.072 4 0 "[ . 1 . 2]" 1
418 1 35 GLU HB3 1 51 PHE HD2 3.270 . 5.000 5.095 4.819 5.157 0.157 3 0 "[ . 1 . 2]" 1
419 1 35 GLU HA 1 35 GLU HG2 3.350 . 5.000 2.622 2.200 2.849 . 0 0 "[ . 1 . 2]" 1
420 1 35 GLU HG2 1 36 GLN H 3.670 . 5.000 4.414 4.069 5.074 0.074 1 0 "[ . 1 . 2]" 1
421 1 35 GLU H 1 37 ARG H 3.340 . 5.000 4.081 3.956 4.241 . 0 0 "[ . 1 . 2]" 1
422 1 35 GLU HB3 1 38 ALA H 3.310 . 5.000 4.475 4.282 4.751 . 0 0 "[ . 1 . 2]" 1
423 1 35 GLU HA 1 38 ALA H 3.760 . 5.000 2.552 2.341 2.791 . 0 0 "[ . 1 . 2]" 1
424 1 35 GLU H 1 35 GLU HG2 3.530 . 5.000 2.409 1.903 3.848 . 0 0 "[ . 1 . 2]" 1
425 1 35 GLU HB3 1 35 GLU HG3 2.510 . 5.000 2.617 2.446 2.807 . 0 0 "[ . 1 . 2]" 1
426 1 35 GLU H 1 38 ALA H 3.200 . 5.000 4.393 4.277 4.544 . 0 0 "[ . 1 . 2]" 1
427 1 35 GLU H 1 35 GLU HB3 2.970 . 5.000 3.561 3.185 3.644 . 0 0 "[ . 1 . 2]" 1
428 1 35 GLU H 1 36 GLN H 2.000 . 5.000 2.609 2.485 2.686 . 0 0 "[ . 1 . 2]" 1
429 1 35 GLU HA 1 36 GLN H 3.000 . 5.000 3.522 3.453 3.550 . 0 0 "[ . 1 . 2]" 1
430 1 36 GLN HA 1 36 GLN HG3 2.900 . 5.000 2.917 2.145 3.749 . 0 0 "[ . 1 . 2]" 1
431 1 36 GLN HA 1 37 ARG H 2.900 . 5.000 3.520 3.460 3.581 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLN H 1 36 GLN HA 2.970 . 5.000 2.822 2.802 2.865 . 0 0 "[ . 1 . 2]" 1
433 1 36 GLN HG3 1 37 ARG H 3.260 . 5.000 4.609 3.681 5.026 0.026 5 0 "[ . 1 . 2]" 1
434 1 36 GLN HG2 1 37 ARG H 3.050 . 5.000 4.784 3.678 5.067 0.067 13 0 "[ . 1 . 2]" 1
435 1 36 GLN HA 1 39 ALA H 3.400 . 5.000 3.965 3.554 4.224 . 0 0 "[ . 1 . 2]" 1
436 1 36 GLN H 1 37 ARG H 3.330 . 5.000 2.662 2.601 2.739 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLN HE21 1 36 GLN HG2 3.220 . 5.000 2.875 2.250 3.617 . 0 0 "[ . 1 . 2]" 1
438 1 36 GLN HA 1 38 ALA H 3.450 . 5.000 4.302 4.050 4.438 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLN H 1 36 GLN HB3 3.070 . 5.000 3.425 2.415 3.636 . 0 0 "[ . 1 . 2]" 1
440 1 36 GLN H 1 36 GLN HB2 3.240 . 5.000 2.355 2.115 2.814 . 0 0 "[ . 1 . 2]" 1
441 1 36 GLN HA 1 36 GLN HB2 2.800 . 4.000 2.927 2.386 3.043 . 0 0 "[ . 1 . 2]" 1
442 1 37 ARG H 1 37 ARG HG2 3.050 . 5.000 4.354 2.952 4.756 . 0 0 "[ . 1 . 2]" 1
443 1 37 ARG H 1 37 ARG HA 2.900 . 4.800 2.916 2.863 2.961 . 0 0 "[ . 1 . 2]" 1
444 1 37 ARG HA 1 39 ALA H 3.400 . 5.000 4.754 4.378 4.986 . 0 0 "[ . 1 . 2]" 1
445 1 37 ARG H 1 37 ARG HB3 3.260 . 5.000 2.632 2.350 3.521 . 0 0 "[ . 1 . 2]" 1
446 1 37 ARG HB3 1 38 ALA H 3.310 . 5.000 2.815 2.660 3.425 . 0 0 "[ . 1 . 2]" 1
447 1 37 ARG HA 1 37 ARG HG2 2.770 . 5.000 3.333 2.256 3.816 . 0 0 "[ . 1 . 2]" 1
448 1 37 ARG HA 1 38 ALA H 3.450 . 5.000 3.535 3.522 3.547 . 0 0 "[ . 1 . 2]" 1
449 1 37 ARG HA 1 37 ARG HB3 2.900 . 5.000 2.988 2.683 3.042 . 0 0 "[ . 1 . 2]" 1
450 1 37 ARG H 1 38 ALA H 2.300 2.300 5.000 2.388 2.221 2.583 0.079 12 0 "[ . 1 . 2]" 1
451 1 38 ALA HA 1 40 ARG H 4.000 . 5.000 5.152 5.111 5.219 0.219 16 0 "[ . 1 . 2]" 1
452 1 38 ALA MB 1 39 ALA HA 2.420 . 6.000 4.226 4.166 4.329 . 0 0 "[ . 1 . 2]" 1
453 1 38 ALA MB 1 39 ALA H 2.450 . 6.000 1.951 1.835 2.303 0.065 19 0 "[ . 1 . 2]" 1
454 1 38 ALA H 1 39 ALA H 3.120 . 5.000 3.131 2.989 3.214 . 0 0 "[ . 1 . 2]" 1
455 1 38 ALA HA 1 39 ALA H 3.540 . 5.000 3.546 3.535 3.551 . 0 0 "[ . 1 . 2]" 1
456 1 38 ALA MB 1 41 ILE MD 2.500 2.500 6.000 4.202 4.179 4.239 . 0 0 "[ . 1 . 2]" 1
457 1 39 ALA HA 1 39 ALA MB 2.420 . 5.000 2.135 2.116 2.155 . 0 0 "[ . 1 . 2]" 1
458 1 39 ALA MB 1 40 ARG H 3.390 . 6.000 2.488 2.354 2.593 . 0 0 "[ . 1 . 2]" 1
459 1 39 ALA HA 1 40 ARG H 3.740 . 5.000 3.507 3.499 3.517 . 0 0 "[ . 1 . 2]" 1
460 1 39 ALA MB 1 40 ARG HA 3.910 . 6.000 4.374 4.300 4.416 . 0 0 "[ . 1 . 2]" 1
461 1 39 ALA H 1 39 ALA HA 2.810 . 5.000 2.830 2.825 2.834 . 0 0 "[ . 1 . 2]" 1
462 1 39 ALA H 1 39 ALA MB 2.450 . 5.000 2.927 2.912 2.962 . 0 0 "[ . 1 . 2]" 1
463 1 39 ALA H 1 40 ARG H 3.090 . 4.800 2.078 1.976 2.180 . 0 0 "[ . 1 . 2]" 1
464 1 40 ARG HA 1 40 ARG HB3 2.580 . 3.800 2.786 2.750 2.861 . 0 0 "[ . 1 . 2]" 1
465 1 40 ARG HA 1 40 ARG HD3 4.060 . 5.000 4.298 3.892 4.612 . 0 0 "[ . 1 . 2]" 1
466 1 40 ARG HA 1 40 ARG HD2 4.150 . 5.000 4.350 3.963 4.605 . 0 0 "[ . 1 . 2]" 1
467 1 40 ARG H 1 41 ILE H 3.010 . 3.800 3.682 3.610 3.798 . 0 0 "[ . 1 . 2]" 1
468 1 40 ARG HA 1 41 ILE H 3.590 . 3.800 2.225 2.207 2.235 . 0 0 "[ . 1 . 2]" 1
469 1 40 ARG HA 1 40 ARG HB2 2.950 . 3.800 2.918 2.859 2.944 . 0 0 "[ . 1 . 2]" 1
470 1 40 ARG HA 1 40 ARG HG3 3.010 . 3.800 2.591 2.071 3.047 . 0 0 "[ . 1 . 2]" 1
471 1 40 ARG HB3 1 41 ILE MG 3.030 . 6.000 4.372 4.268 4.456 . 0 0 "[ . 1 . 2]" 1
472 1 40 ARG HG3 1 41 ILE H 4.060 . 5.000 4.699 4.166 5.023 0.023 4 0 "[ . 1 . 2]" 1
473 1 40 ARG H 1 40 ARG HB2 3.530 . 3.800 3.108 3.074 3.155 . 0 0 "[ . 1 . 2]" 1
474 1 40 ARG H 1 40 ARG HB3 3.100 . 3.800 3.799 3.699 3.840 0.040 10 0 "[ . 1 . 2]" 1
475 1 40 ARG H 1 40 ARG HG3 3.560 . 5.000 4.339 4.128 4.731 . 0 0 "[ . 1 . 2]" 1
476 1 40 ARG HB3 1 41 ILE HA 3.900 . 5.000 4.965 4.890 5.014 0.014 14 0 "[ . 1 . 2]" 1
477 1 40 ARG HB3 1 40 ARG HD2 3.200 . 3.800 3.025 1.932 3.783 . 0 0 "[ . 1 . 2]" 1
478 1 40 ARG HA 1 42 SER HB3 4.220 . 5.000 5.079 5.056 5.099 0.099 15 0 "[ . 1 . 2]" 1
479 1 40 ARG HA 1 41 ILE HA 4.280 . 5.000 4.475 4.448 4.491 . 0 0 "[ . 1 . 2]" 1
480 1 40 ARG HB3 1 41 ILE H 3.780 . 3.800 3.842 3.811 3.873 0.073 12 0 "[ . 1 . 2]" 1
481 1 41 ILE MD 1 51 PHE HE2 3.950 . 6.000 2.027 1.957 2.116 . 0 0 "[ . 1 . 2]" 1
482 1 41 ILE H 1 42 SER H 4.480 . 5.000 4.215 4.173 4.251 . 0 0 "[ . 1 . 2]" 1
483 1 41 ILE MD 1 48 ILE HA 3.320 . 4.800 2.990 2.855 3.103 . 0 0 "[ . 1 . 2]" 1
484 1 41 ILE MG 1 51 PHE HE2 3.440 . 4.800 3.399 3.274 3.505 . 0 0 "[ . 1 . 2]" 1
485 1 41 ILE HA 1 41 ILE MG 2.680 . 3.800 3.190 3.182 3.195 . 0 0 "[ . 1 . 2]" 1
486 1 41 ILE H 1 41 ILE MG 3.050 . 4.800 2.379 2.318 2.488 . 0 0 "[ . 1 . 2]" 1
487 1 41 ILE MD 1 43 LEU H 4.320 . 6.000 2.971 2.887 3.044 . 0 0 "[ . 1 . 2]" 1
488 1 41 ILE HA 1 41 ILE MD 3.500 . 4.800 1.912 1.821 1.965 0.079 20 0 "[ . 1 . 2]" 1
489 1 41 ILE HA 1 43 LEU H 3.930 . 5.000 3.780 3.668 3.876 . 0 0 "[ . 1 . 2]" 1
490 1 41 ILE HA 1 42 SER H 3.160 . 3.800 2.178 2.152 2.203 . 0 0 "[ . 1 . 2]" 1
491 1 41 ILE MG 1 47 CYS HB3 3.940 . 6.000 4.928 4.862 4.967 . 0 0 "[ . 1 . 2]" 1
492 1 41 ILE MG 1 42 SER H 3.530 . 5.000 4.074 4.059 4.086 . 0 0 "[ . 1 . 2]" 1
493 1 41 ILE MD 1 41 ILE MG 2.540 . 4.800 3.223 3.219 3.227 . 0 0 "[ . 1 . 2]" 1
494 1 41 ILE MD 1 52 THR H 4.460 . 6.000 4.529 4.442 4.667 . 0 0 "[ . 1 . 2]" 1
495 1 41 ILE H 1 41 ILE MD 2.970 . 5.000 3.820 3.769 3.866 . 0 0 "[ . 1 . 2]" 1
496 1 41 ILE MD 1 48 ILE H 4.290 . 6.000 3.627 3.449 3.856 . 0 0 "[ . 1 . 2]" 1
497 1 41 ILE HA 1 42 SER HA 3.000 3.000 4.000 4.297 4.288 4.304 0.304 12 0 "[ . 1 . 2]" 1
498 1 41 ILE HB 1 48 ILE HA 2.000 . 4.000 4.066 4.032 4.102 0.102 10 0 "[ . 1 . 2]" 1
499 1 41 ILE HB 1 48 ILE MD 2.500 2.500 4.500 3.542 3.369 3.685 . 0 0 "[ . 1 . 2]" 1
500 1 41 ILE MG 1 42 SER HA 3.000 3.000 5.000 3.818 3.780 3.881 . 0 0 "[ . 1 . 2]" 1
501 1 41 ILE MG 1 51 PHE HZ 3.000 3.000 5.000 4.053 3.957 4.093 . 0 0 "[ . 1 . 2]" 1
502 1 41 ILE MD 1 44 GLY H 3.000 3.000 5.000 4.137 4.105 4.162 . 0 0 "[ . 1 . 2]" 1
503 1 41 ILE MD 1 51 PHE HB3 2.000 . 6.000 3.671 3.547 3.848 . 0 0 "[ . 1 . 2]" 1
504 1 41 ILE MD 1 51 PHE HZ 2.000 . 4.000 3.135 3.078 3.195 . 0 0 "[ . 1 . 2]" 1
505 1 42 SER H 1 43 LEU HG 4.230 . 5.000 3.489 2.544 4.299 . 0 0 "[ . 1 . 2]" 1
506 1 42 SER HA 1 43 LEU H 4.170 . 5.000 2.637 2.603 2.674 . 0 0 "[ . 1 . 2]" 1
507 1 42 SER H 1 42 SER HB3 3.870 . 5.000 2.990 2.891 3.067 . 0 0 "[ . 1 . 2]" 1
508 1 42 SER H 1 43 LEU H 3.750 . 3.800 2.726 2.626 2.824 . 0 0 "[ . 1 . 2]" 1
509 1 42 SER HB2 1 44 GLY H 3.390 . 5.000 5.122 5.088 5.146 0.146 20 0 "[ . 1 . 2]" 1
510 1 42 SER HA 1 43 LEU HA 3.000 3.000 4.000 4.360 4.334 4.378 0.378 12 0 "[ . 1 . 2]" 1
511 1 42 SER HA 1 48 ILE MD 2.000 . 5.000 3.956 3.693 4.175 . 0 0 "[ . 1 . 2]" 1
512 1 43 LEU H 1 43 LEU MD1 3.710 . 4.800 3.216 2.653 3.888 . 0 0 "[ . 1 . 2]" 1
513 1 43 LEU HA 1 44 GLY H 3.370 . 3.800 3.339 3.296 3.364 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU H 1 43 LEU HB3 3.320 . 3.800 3.692 3.536 3.807 0.007 10 0 "[ . 1 . 2]" 1
515 1 43 LEU H 1 43 LEU HB2 3.320 . 3.800 2.534 2.393 2.781 . 0 0 "[ . 1 . 2]" 1
516 1 43 LEU HA 1 44 GLY HA2 4.280 . 5.000 4.705 4.656 4.775 . 0 0 "[ . 1 . 2]" 1
517 1 43 LEU H 1 43 LEU HG 2.970 . 3.800 3.281 2.530 3.802 0.002 3 0 "[ . 1 . 2]" 1
518 1 43 LEU HA 1 43 LEU MD1 3.870 . 6.000 3.671 3.408 3.920 . 0 0 "[ . 1 . 2]" 1
519 1 43 LEU H 1 44 GLY H 3.490 . 3.800 1.908 1.886 1.944 0.014 20 0 "[ . 1 . 2]" 1
520 1 43 LEU HA 1 43 LEU MD2 2.600 . 3.800 2.819 2.351 3.146 . 0 0 "[ . 1 . 2]" 1
521 1 43 LEU HA 1 43 LEU HG 2.580 . 2.800 2.348 2.043 2.795 . 0 0 "[ . 1 . 2]" 1
522 1 44 GLY HA3 1 45 PRO HD2 3.230 . 3.800 2.510 2.393 2.618 . 0 0 "[ . 1 . 2]" 1
523 1 44 GLY HA2 1 45 PRO HG2 3.390 . 5.000 4.809 4.729 4.933 . 0 0 "[ . 1 . 2]" 1
524 1 44 GLY HA3 1 45 PRO HA 4.010 . 5.000 4.752 4.717 4.775 . 0 0 "[ . 1 . 2]" 1
525 1 44 GLY HA2 1 45 PRO HA 3.840 . 5.000 4.470 4.465 4.477 . 0 0 "[ . 1 . 2]" 1
526 1 44 GLY H 1 44 GLY HA2 3.000 . 3.800 2.695 2.641 2.730 . 0 0 "[ . 1 . 2]" 1
527 1 44 GLY H 1 45 PRO HD2 3.680 . 5.000 4.999 4.966 5.017 0.017 15 0 "[ . 1 . 2]" 1
528 1 44 GLY HA3 1 45 PRO HD3 2.000 . 5.000 2.982 2.811 3.109 . 0 0 "[ . 1 . 2]" 1
529 1 45 PRO HB3 1 45 PRO HD2 2.840 . 3.800 3.939 3.934 3.942 0.142 15 0 "[ . 1 . 2]" 1
530 1 45 PRO HA 1 48 ILE H 3.050 . 5.000 3.473 3.394 3.596 . 0 0 "[ . 1 . 2]" 1
531 1 45 PRO HA 1 45 PRO HG2 2.600 . 5.000 3.979 3.967 3.987 . 0 0 "[ . 1 . 2]" 1
532 1 45 PRO HA 1 46 ARG HD2 3.310 . 5.000 4.560 4.451 4.810 . 0 0 "[ . 1 . 2]" 1
533 1 45 PRO HA 1 45 PRO HD2 3.260 . 5.000 4.135 4.125 4.149 . 0 0 "[ . 1 . 2]" 1
534 1 45 PRO HA 1 48 ILE MD 2.000 . 6.000 2.793 2.299 3.164 . 0 0 "[ . 1 . 2]" 1
535 1 46 ARG HD2 1 48 ILE H 3.380 . 5.000 4.712 4.528 4.965 . 0 0 "[ . 1 . 2]" 1
536 1 46 ARG HA 1 46 ARG HG2 3.390 . 3.800 3.553 3.511 3.573 . 0 0 "[ . 1 . 2]" 1
537 1 46 ARG HB3 1 47 CYS H 3.270 . 3.800 3.812 3.720 3.865 0.065 1 0 "[ . 1 . 2]" 1
538 1 46 ARG HA 1 50 ALA MB 2.650 . 5.000 3.795 3.674 3.867 . 0 0 "[ . 1 . 2]" 1
539 1 46 ARG H 1 47 CYS H 3.720 . 3.800 2.750 2.628 2.827 . 0 0 "[ . 1 . 2]" 1
540 1 46 ARG HA 1 50 ALA H 3.080 . 5.000 4.118 4.036 4.221 . 0 0 "[ . 1 . 2]" 1
541 1 46 ARG HA 1 49 LYS H 3.220 . 5.000 4.138 4.051 4.273 . 0 0 "[ . 1 . 2]" 1
542 1 46 ARG H 1 46 ARG HB3 3.270 . 3.800 2.252 2.206 2.311 . 0 0 "[ . 1 . 2]" 1
543 1 46 ARG HD2 1 46 ARG HG2 2.730 . 2.800 2.669 2.516 2.862 0.062 18 0 "[ . 1 . 2]" 1
544 1 46 ARG HA 1 46 ARG HD3 3.200 . 5.000 4.847 4.404 5.054 0.054 20 0 "[ . 1 . 2]" 1
545 1 46 ARG HA 1 46 ARG HB3 2.570 . 2.800 2.626 2.583 2.686 . 0 0 "[ . 1 . 2]" 1
546 1 46 ARG HD2 1 47 CYS H 3.050 . 3.800 2.025 1.870 2.234 0.030 11 0 "[ . 1 . 2]" 1
547 1 46 ARG HA 1 47 CYS H 3.000 3.000 4.000 3.469 3.445 3.505 . 0 0 "[ . 1 . 2]" 1
548 1 47 CYS H 1 47 CYS HB3 3.050 . 3.800 3.187 3.120 3.267 . 0 0 "[ . 1 . 2]" 1
549 1 47 CYS HA 1 52 THR H 3.230 . 5.000 5.020 4.994 5.049 0.049 8 0 "[ . 1 . 2]" 1
550 1 47 CYS HA 1 48 ILE H 3.050 . 3.800 3.564 3.553 3.584 . 0 0 "[ . 1 . 2]" 1
551 1 47 CYS HA 1 51 PHE HB2 3.210 . 5.000 5.119 5.081 5.146 0.146 5 0 "[ . 1 . 2]" 1
552 1 47 CYS HB2 1 48 ILE H 3.380 . 3.800 2.960 2.915 3.035 . 0 0 "[ . 1 . 2]" 1
553 1 47 CYS HA 1 50 ALA H 4.200 . 5.000 3.362 3.265 3.413 . 0 0 "[ . 1 . 2]" 1
554 1 47 CYS H 1 48 ILE H 3.380 . 3.800 2.799 2.718 2.882 . 0 0 "[ . 1 . 2]" 1
555 1 47 CYS HB3 1 48 ILE H 3.550 . 3.800 2.327 2.176 2.551 . 0 0 "[ . 1 . 2]" 1
556 1 47 CYS H 1 47 CYS HB2 3.050 . 3.800 2.065 2.052 2.088 . 0 0 "[ . 1 . 2]" 1
557 1 47 CYS HB3 1 48 ILE MG 3.000 3.000 6.000 5.127 4.955 5.248 . 0 0 "[ . 1 . 2]" 1
558 1 48 ILE H 1 48 ILE HB 3.050 . 3.800 2.550 2.091 3.117 . 0 0 "[ . 1 . 2]" 1
559 1 48 ILE HA 1 51 PHE HB3 3.410 . 5.000 5.045 5.006 5.088 0.088 18 0 "[ . 1 . 2]" 1
560 1 48 ILE HA 1 52 THR H 4.020 . 5.000 3.870 3.808 3.923 . 0 0 "[ . 1 . 2]" 1
561 1 48 ILE H 1 48 ILE MG 3.320 . 5.000 3.628 3.425 3.737 . 0 0 "[ . 1 . 2]" 1
562 1 48 ILE HA 1 51 PHE HD2 3.760 . 3.800 2.787 2.753 2.852 . 0 0 "[ . 1 . 2]" 1
563 1 48 ILE HB 1 48 ILE MG 2.730 . 2.800 2.132 2.106 2.147 . 0 0 "[ . 1 . 2]" 1
564 1 48 ILE HA 1 51 PHE H 3.750 . 5.000 4.740 4.699 4.788 . 0 0 "[ . 1 . 2]" 1
565 1 48 ILE H 1 49 LYS H 2.700 2.700 3.300 3.332 3.305 3.379 0.079 20 0 "[ . 1 . 2]" 1
566 1 48 ILE HA 1 49 LYS H 3.400 3.400 4.200 3.601 3.587 3.613 . 0 0 "[ . 1 . 2]" 1
567 1 48 ILE HA 1 51 PHE HZ 3.000 3.000 5.000 3.944 3.777 4.125 . 0 0 "[ . 1 . 2]" 1
568 1 49 LYS HA 1 50 ALA H 3.080 . 3.800 3.488 3.436 3.510 . 0 0 "[ . 1 . 2]" 1
569 1 49 LYS HA 1 53 GLU HB3 3.270 . 5.000 4.602 4.429 4.788 . 0 0 "[ . 1 . 2]" 1
570 1 49 LYS H 1 50 ALA H 3.740 . 3.800 2.525 2.488 2.560 . 0 0 "[ . 1 . 2]" 1
571 1 49 LYS H 1 50 ALA HA 3.220 . 5.000 5.117 5.095 5.135 0.135 14 0 "[ . 1 . 2]" 1
572 1 49 LYS HA 1 51 PHE H 3.150 . 5.000 5.002 4.917 5.060 0.060 20 0 "[ . 1 . 2]" 1
573 1 49 LYS H 1 49 LYS HG3 3.610 . 5.000 3.735 2.201 4.481 . 0 0 "[ . 1 . 2]" 1
574 1 49 LYS HA 1 53 GLU H 3.620 . 3.800 3.219 3.127 3.288 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS HA 1 52 THR H 3.000 3.000 4.000 3.693 3.650 3.768 . 0 0 "[ . 1 . 2]" 1
576 1 49 LYS HA 1 52 THR HB 2.000 . 3.000 2.227 2.137 2.366 . 0 0 "[ . 1 . 2]" 1
577 1 50 ALA H 1 50 ALA MB 2.790 . 3.800 2.266 2.244 2.275 . 0 0 "[ . 1 . 2]" 1
578 1 50 ALA HA 1 53 GLU H 3.620 . 5.000 3.819 3.662 3.933 . 0 0 "[ . 1 . 2]" 1
579 1 50 ALA HA 1 51 PHE H 3.150 . 3.800 3.546 3.539 3.550 . 0 0 "[ . 1 . 2]" 1
580 1 50 ALA HA 1 53 GLU HB3 3.270 . 3.800 2.946 2.812 3.061 . 0 0 "[ . 1 . 2]" 1
581 1 50 ALA H 1 51 PHE H 3.260 . 3.800 2.712 2.674 2.740 . 0 0 "[ . 1 . 2]" 1
582 1 50 ALA H 1 51 PHE HA 3.080 . 5.000 5.242 5.225 5.259 0.259 19 0 "[ . 1 . 2]" 1
583 1 50 ALA MB 1 51 PHE HA 2.650 . 5.000 3.753 3.734 3.770 . 0 0 "[ . 1 . 2]" 1
584 1 50 ALA HA 1 50 ALA MB 2.650 . 3.800 2.154 2.151 2.156 . 0 0 "[ . 1 . 2]" 1
585 1 50 ALA H 1 53 GLU HB3 3.790 . 5.000 4.903 4.797 5.013 0.013 1 0 "[ . 1 . 2]" 1
586 1 50 ALA MB 1 51 PHE H 3.090 . 4.800 2.036 1.984 2.115 . 0 0 "[ . 1 . 2]" 1
587 1 50 ALA HA 1 53 GLU HG3 3.000 3.000 5.000 5.010 4.904 5.045 0.045 8 0 "[ . 1 . 2]" 1
588 1 51 PHE HD2 1 52 THR H 3.500 . 3.800 3.039 2.991 3.090 . 0 0 "[ . 1 . 2]" 1
589 1 51 PHE HB2 1 52 THR HA 3.470 . 5.000 4.918 4.867 4.941 . 0 0 "[ . 1 . 2]" 1
590 1 51 PHE H 1 52 THR H 3.580 . 3.800 2.751 2.705 2.787 . 0 0 "[ . 1 . 2]" 1
591 1 51 PHE HA 1 53 GLU H 3.620 . 5.000 4.349 4.257 4.425 . 0 0 "[ . 1 . 2]" 1
592 1 51 PHE HA 1 51 PHE HD2 3.390 . 5.000 4.564 4.540 4.579 . 0 0 "[ . 1 . 2]" 1
593 1 51 PHE HA 1 53 GLU HB3 3.270 . 5.000 5.076 5.046 5.113 0.113 19 0 "[ . 1 . 2]" 1
594 1 51 PHE HB3 1 52 THR H 3.480 . 3.800 3.457 3.425 3.503 . 0 0 "[ . 1 . 2]" 1
595 1 51 PHE HB2 1 52 THR H 3.680 . 3.800 3.905 3.879 3.939 0.139 16 0 "[ . 1 . 2]" 1
596 1 51 PHE HB3 1 51 PHE HD2 3.020 . 3.800 2.351 2.341 2.363 . 0 0 "[ . 1 . 2]" 1
597 1 51 PHE HB2 1 51 PHE HD2 2.830 . 3.800 3.569 3.556 3.580 . 0 0 "[ . 1 . 2]" 1
598 1 51 PHE H 1 52 THR HB 3.980 . 5.000 4.914 4.862 4.964 . 0 0 "[ . 1 . 2]" 1
599 1 51 PHE H 1 51 PHE HB3 3.160 . 3.800 2.198 2.181 2.216 . 0 0 "[ . 1 . 2]" 1
600 1 51 PHE HD2 1 52 THR HA 3.150 . 5.000 5.171 5.119 5.234 0.234 10 0 "[ . 1 . 2]" 1
601 1 51 PHE HA 1 55 CYS H 3.980 . 5.000 3.912 3.861 3.973 . 0 0 "[ . 1 . 2]" 1
602 1 51 PHE HB2 1 55 CYS H 3.510 . 5.000 5.147 5.117 5.168 0.168 11 0 "[ . 1 . 2]" 1
603 1 51 PHE H 1 51 PHE HB2 3.120 . 3.800 3.491 3.475 3.508 . 0 0 "[ . 1 . 2]" 1
604 1 51 PHE H 1 51 PHE HD2 3.500 . 3.800 2.948 2.889 2.998 . 0 0 "[ . 1 . 2]" 1
605 1 51 PHE HA 1 52 THR H 3.200 3.200 3.800 3.576 3.564 3.585 . 0 0 "[ . 1 . 2]" 1
606 1 52 THR HA 1 55 CYS HB2 3.410 . 5.000 4.337 4.098 4.559 . 0 0 "[ . 1 . 2]" 1
607 1 52 THR HB 1 52 THR MG 2.710 . 3.800 2.125 2.103 2.146 . 0 0 "[ . 1 . 2]" 1
608 1 52 THR HA 1 53 GLU H 3.900 . 5.000 3.529 3.513 3.542 . 0 0 "[ . 1 . 2]" 1
609 1 52 THR H 1 52 THR HB 2.640 . 2.800 2.540 2.497 2.578 . 0 0 "[ . 1 . 2]" 1
610 1 52 THR HA 1 55 CYS HB3 3.130 . 3.800 2.788 2.519 3.253 . 0 0 "[ . 1 . 2]" 1
611 1 52 THR HA 1 53 GLU HA 3.550 . 5.000 4.824 4.798 4.847 . 0 0 "[ . 1 . 2]" 1
612 1 52 THR MG 1 53 GLU HA 3.140 . 5.000 3.452 3.246 3.643 . 0 0 "[ . 1 . 2]" 1
613 1 52 THR H 1 53 GLU H 3.490 . 3.800 2.780 2.737 2.847 . 0 0 "[ . 1 . 2]" 1
614 1 52 THR MG 1 53 GLU H 3.490 . 5.000 3.365 3.209 3.490 . 0 0 "[ . 1 . 2]" 1
615 1 52 THR MG 1 56 VAL H 4.280 . 6.000 4.008 3.891 4.119 . 0 0 "[ . 1 . 2]" 1
616 1 52 THR HA 1 55 CYS H 3.580 . 5.000 3.579 3.502 3.723 . 0 0 "[ . 1 . 2]" 1
617 1 52 THR H 1 52 THR MG 3.450 . 5.000 3.784 3.772 3.792 . 0 0 "[ . 1 . 2]" 1
618 1 52 THR HA 1 54 CYS H 3.680 . 5.000 4.600 4.397 5.046 0.046 12 0 "[ . 1 . 2]" 1
619 1 52 THR HB 1 53 GLU H 3.140 . 3.800 2.582 2.512 2.668 . 0 0 "[ . 1 . 2]" 1
620 1 52 THR MG 1 55 CYS HB3 3.000 3.000 6.000 4.383 4.071 4.905 . 0 0 "[ . 1 . 2]" 1
621 1 52 THR MG 1 56 VAL QG 3.000 3.000 6.000 1.987 1.806 2.207 1.194 13 20 [-***********+*******] 1
622 1 53 GLU H 1 53 GLU HA 2.570 . 2.800 2.846 2.832 2.859 0.059 3 0 "[ . 1 . 2]" 1
623 1 53 GLU HG3 1 54 CYS H 4.220 . 5.000 3.424 2.948 3.689 . 0 0 "[ . 1 . 2]" 1
624 1 53 GLU HB3 1 53 GLU HG3 2.500 . 2.800 2.432 2.371 2.521 . 0 0 "[ . 1 . 2]" 1
625 1 53 GLU HA 1 53 GLU HB3 2.700 . 2.800 3.000 2.996 3.005 0.205 13 0 "[ . 1 . 2]" 1
626 1 53 GLU HA 1 56 VAL H 3.420 . 3.800 3.442 3.288 3.574 . 0 0 "[ . 1 . 2]" 1
627 1 53 GLU H 1 54 CYS H 3.350 . 3.800 2.735 2.654 2.935 . 0 0 "[ . 1 . 2]" 1
628 1 53 GLU HA 1 54 CYS H 3.710 . 3.800 3.557 3.543 3.584 . 0 0 "[ . 1 . 2]" 1
629 1 53 GLU H 1 56 VAL QG 3.140 . 5.000 4.051 3.978 4.142 . 0 0 "[ . 1 . 2]" 1
630 1 53 GLU HA 1 57 VAL MG1 3.020 . 4.800 3.562 3.246 3.810 . 0 0 "[ . 1 . 2]" 1
631 1 53 GLU HA 1 55 CYS H 3.090 . 5.000 4.203 4.100 4.284 . 0 0 "[ . 1 . 2]" 1
632 1 53 GLU H 1 53 GLU HG3 3.570 . 5.000 4.373 4.312 4.446 . 0 0 "[ . 1 . 2]" 1
633 1 53 GLU HB3 1 54 CYS H 3.570 . 3.800 2.547 2.160 2.773 . 0 0 "[ . 1 . 2]" 1
634 1 53 GLU H 1 53 GLU HB3 2.880 . 3.800 2.400 2.335 2.477 . 0 0 "[ . 1 . 2]" 1
635 1 53 GLU HA 1 57 VAL H 3.930 . 5.000 3.855 3.706 3.985 . 0 0 "[ . 1 . 2]" 1
636 1 53 GLU HA 1 56 VAL QG 3.020 . 5.000 2.826 2.579 3.101 . 0 0 "[ . 1 . 2]" 1
637 1 53 GLU H 1 55 CYS H 3.540 . 3.800 3.897 3.865 3.938 0.138 10 0 "[ . 1 . 2]" 1
638 1 53 GLU HB3 1 57 VAL MG2 3.000 3.000 6.000 4.870 4.807 4.900 . 0 0 "[ . 1 . 2]" 1
639 1 53 GLU HG3 1 57 VAL MG2 2.000 . 5.000 3.419 3.278 3.604 . 0 0 "[ . 1 . 2]" 1
640 1 54 CYS HB3 1 58 ALA H 4.460 . 5.000 4.781 4.700 4.844 . 0 0 "[ . 1 . 2]" 1
641 1 54 CYS H 1 55 CYS H 3.230 . 3.800 2.438 2.268 2.710 . 0 0 "[ . 1 . 2]" 1
642 1 54 CYS H 1 54 CYS HB3 3.680 . 3.800 3.523 3.424 3.586 . 0 0 "[ . 1 . 2]" 1
643 1 54 CYS H 1 54 CYS HA 2.840 . 3.800 2.900 2.819 2.935 . 0 0 "[ . 1 . 2]" 1
644 1 54 CYS HB3 1 57 VAL MG2 3.060 . 4.800 3.617 3.503 3.752 . 0 0 "[ . 1 . 2]" 1
645 1 54 CYS HA 1 55 CYS H 3.790 . 3.800 3.455 3.422 3.495 . 0 0 "[ . 1 . 2]" 1
646 1 54 CYS HB3 1 55 CYS HB3 3.130 . 5.000 5.080 4.986 5.135 0.135 12 0 "[ . 1 . 2]" 1
647 1 54 CYS HB3 1 55 CYS H 3.580 . 3.800 3.626 3.496 3.796 . 0 0 "[ . 1 . 2]" 1
648 1 54 CYS HB3 1 55 CYS HA 3.550 . 5.000 4.235 4.133 4.358 . 0 0 "[ . 1 . 2]" 1
649 1 54 CYS HA 1 57 VAL H 3.000 3.000 4.000 3.501 3.377 3.679 . 0 0 "[ . 1 . 2]" 1
650 1 55 CYS H 1 56 VAL HA 3.580 . 5.000 5.027 4.997 5.083 0.083 1 0 "[ . 1 . 2]" 1
651 1 55 CYS H 1 55 CYS HB2 3.120 . 3.800 3.277 3.112 3.578 . 0 0 "[ . 1 . 2]" 1
652 1 55 CYS HA 1 57 VAL H 3.930 . 5.000 4.613 4.501 4.744 . 0 0 "[ . 1 . 2]" 1
653 1 55 CYS HA 1 56 VAL H 3.420 . 3.800 3.482 3.462 3.498 . 0 0 "[ . 1 . 2]" 1
654 1 55 CYS H 1 56 VAL H 3.430 . 3.800 2.303 2.265 2.384 . 0 0 "[ . 1 . 2]" 1
655 1 55 CYS HA 1 59 SER H 3.840 . 5.000 3.855 3.757 4.007 . 0 0 "[ . 1 . 2]" 1
656 1 55 CYS HA 1 58 ALA H 3.700 . 5.000 3.492 3.431 3.551 . 0 0 "[ . 1 . 2]" 1
657 1 55 CYS H 1 56 VAL QG 3.750 . 5.000 3.780 3.704 3.826 . 0 0 "[ . 1 . 2]" 1
658 1 55 CYS HA 1 56 VAL HA 3.550 . 5.000 4.715 4.696 4.734 . 0 0 "[ . 1 . 2]" 1
659 1 55 CYS HB3 1 56 VAL H 3.440 . 3.800 3.302 3.053 3.682 . 0 0 "[ . 1 . 2]" 1
660 1 55 CYS H 1 55 CYS HB3 3.160 . 3.800 2.149 2.090 2.291 . 0 0 "[ . 1 . 2]" 1
661 1 55 CYS HB2 1 56 VAL H 3.680 . 5.000 4.305 4.224 4.373 . 0 0 "[ . 1 . 2]" 1
662 1 55 CYS HA 1 58 ALA MB 2.000 . 4.000 2.036 1.941 2.144 0.059 8 0 "[ . 1 . 2]" 1
663 1 55 CYS HB3 1 56 VAL QG 3.000 3.000 6.000 3.812 3.509 4.276 . 0 0 "[ . 1 . 2]" 1
664 1 56 VAL HA 1 59 SER H 3.740 . 3.800 3.000 2.946 3.092 . 0 0 "[ . 1 . 2]" 1
665 1 56 VAL HA 1 57 VAL H 3.820 . 5.000 3.552 3.539 3.563 . 0 0 "[ . 1 . 2]" 1
666 1 56 VAL QG 1 57 VAL H 3.500 . 5.000 3.172 3.121 3.212 . 0 0 "[ . 1 . 2]" 1
667 1 56 VAL HB 1 59 SER HB2 2.650 . 5.000 4.619 4.399 4.757 . 0 0 "[ . 1 . 2]" 1
668 1 56 VAL HA 1 58 ALA H 4.460 . 5.000 4.382 4.303 4.474 . 0 0 "[ . 1 . 2]" 1
669 1 56 VAL H 1 56 VAL HB 2.870 . 3.800 2.509 2.489 2.531 . 0 0 "[ . 1 . 2]" 1
670 1 56 VAL H 1 57 VAL H 3.340 . 3.800 2.425 2.369 2.510 . 0 0 "[ . 1 . 2]" 1
671 1 56 VAL HB 1 56 VAL QG 2.550 . 2.800 1.888 1.877 1.899 0.023 4 0 "[ . 1 . 2]" 1
672 1 56 VAL HB 1 57 VAL H 3.240 . 3.800 2.455 2.369 2.523 . 0 0 "[ . 1 . 2]" 1
673 1 56 VAL H 1 57 VAL MG1 2.700 . 5.000 3.987 3.899 4.094 . 0 0 "[ . 1 . 2]" 1
674 1 56 VAL H 1 56 VAL QG 2.700 . 4.800 2.326 2.245 2.381 . 0 0 "[ . 1 . 2]" 1
675 1 56 VAL HA 1 56 VAL QG 2.580 . 3.800 2.101 2.062 2.155 . 0 0 "[ . 1 . 2]" 1
676 1 56 VAL HA 1 59 SER HA 3.000 3.000 4.000 4.339 4.307 4.372 0.372 6 0 "[ . 1 . 2]" 1
677 1 56 VAL HA 1 59 SER HB3 2.500 2.500 4.500 2.662 2.481 2.903 0.019 3 0 "[ . 1 . 2]" 1
678 1 56 VAL QG 1 57 VAL HA 2.500 2.500 4.500 3.504 3.413 3.616 . 0 0 "[ . 1 . 2]" 1
679 1 56 VAL QG 1 60 GLN HG3 3.000 3.000 6.000 4.874 4.816 4.907 . 0 0 "[ . 1 . 2]" 1
680 1 56 VAL QG 1 60 GLN HE22 2.500 2.500 5.500 3.607 3.166 3.892 . 0 0 "[ . 1 . 2]" 1
681 1 57 VAL HB 1 58 ALA H 3.190 . 3.800 3.611 3.553 3.677 . 0 0 "[ . 1 . 2]" 1
682 1 57 VAL H 1 57 VAL HB 3.010 . 3.800 3.602 3.581 3.617 . 0 0 "[ . 1 . 2]" 1
683 1 57 VAL HA 1 59 SER H 4.380 . 5.000 3.826 3.777 3.869 . 0 0 "[ . 1 . 2]" 1
684 1 57 VAL HB 1 57 VAL MG2 2.260 . 2.800 2.149 2.143 2.154 . 0 0 "[ . 1 . 2]" 1
685 1 57 VAL HA 1 58 ALA H 3.690 . 3.800 3.520 3.511 3.532 . 0 0 "[ . 1 . 2]" 1
686 1 57 VAL HB 1 61 LEU MD1 2.260 . 5.000 3.632 3.032 4.020 . 0 0 "[ . 1 . 2]" 1
687 1 57 VAL MG2 1 58 ALA HA 2.660 . 5.000 3.142 3.095 3.198 . 0 0 "[ . 1 . 2]" 1
688 1 57 VAL HA 1 60 GLN H 3.590 . 3.800 3.367 3.189 3.576 . 0 0 "[ . 1 . 2]" 1
689 1 57 VAL MG2 1 59 SER H 4.090 . 6.000 3.708 3.682 3.729 . 0 0 "[ . 1 . 2]" 1
690 1 57 VAL HB 1 57 VAL MG1 2.710 . 2.800 2.132 2.113 2.154 . 0 0 "[ . 1 . 2]" 1
691 1 57 VAL MG1 1 58 ALA H 3.570 . 5.000 3.684 3.645 3.725 . 0 0 "[ . 1 . 2]" 1
692 1 57 VAL HB 1 59 SER H 3.990 . 5.000 5.135 5.106 5.161 0.161 4 0 "[ . 1 . 2]" 1
693 1 57 VAL HA 1 61 LEU H 4.350 . 5.000 4.242 4.032 4.359 . 0 0 "[ . 1 . 2]" 1
694 1 57 VAL MG2 1 58 ALA H 3.290 . 4.800 1.790 1.769 1.820 0.131 7 0 "[ . 1 . 2]" 1
695 1 57 VAL H 1 58 ALA MB 4.270 . 6.000 4.081 4.006 4.144 . 0 0 "[ . 1 . 2]" 1
696 1 57 VAL H 1 59 SER HB2 3.560 . 5.000 4.413 4.087 4.595 . 0 0 "[ . 1 . 2]" 1
697 1 57 VAL H 1 59 SER H 4.320 . 5.000 3.438 3.401 3.483 . 0 0 "[ . 1 . 2]" 1
698 1 57 VAL H 1 57 VAL MG2 3.290 . 4.800 1.902 1.839 1.973 0.061 11 0 "[ . 1 . 2]" 1
699 1 57 VAL HA 1 60 GLN HB3 3.500 . 5.000 4.320 4.094 4.562 . 0 0 "[ . 1 . 2]" 1
700 1 57 VAL H 1 58 ALA HA 3.560 . 5.000 5.137 5.114 5.162 0.162 1 0 "[ . 1 . 2]" 1
701 1 57 VAL H 1 58 ALA H 3.270 . 3.800 2.440 2.398 2.478 . 0 0 "[ . 1 . 2]" 1
702 1 57 VAL HA 1 57 VAL MG2 2.650 . 3.800 3.199 3.190 3.206 . 0 0 "[ . 1 . 2]" 1
703 1 57 VAL HA 1 57 VAL MG1 2.600 . 3.800 2.402 2.280 2.468 . 0 0 "[ . 1 . 2]" 1
704 1 57 VAL H 1 57 VAL MG1 2.790 . 3.800 2.145 2.011 2.323 . 0 0 "[ . 1 . 2]" 1
705 1 57 VAL HA 1 60 GLN HB2 3.480 . 3.800 3.164 2.912 3.504 . 0 0 "[ . 1 . 2]" 1
706 1 57 VAL HA 1 60 GLN HE22 3.000 3.000 5.000 4.703 4.268 5.017 0.017 3 0 "[ . 1 . 2]" 1
707 1 58 ALA H 1 58 ALA HA 2.990 . 3.800 2.862 2.846 2.879 . 0 0 "[ . 1 . 2]" 1
708 1 58 ALA HA 1 59 SER H 3.080 . 3.800 3.448 3.431 3.466 . 0 0 "[ . 1 . 2]" 1
709 1 58 ALA MB 1 59 SER H 3.100 . 4.800 2.697 2.643 2.781 . 0 0 "[ . 1 . 2]" 1
710 1 58 ALA HA 1 61 LEU HG 2.540 . 3.800 3.155 2.856 3.677 . 0 0 "[ . 1 . 2]" 1
711 1 58 ALA HA 1 61 LEU MD1 2.660 . 3.800 2.562 2.093 2.999 . 0 0 "[ . 1 . 2]" 1
712 1 58 ALA HA 1 61 LEU H 3.280 . 3.800 3.320 3.158 3.506 . 0 0 "[ . 1 . 2]" 1
713 1 58 ALA MB 1 59 SER HB2 2.540 . 5.000 4.110 4.084 4.135 . 0 0 "[ . 1 . 2]" 1
714 1 58 ALA H 1 59 SER HB2 2.990 . 5.000 4.321 4.103 4.443 . 0 0 "[ . 1 . 2]" 1
715 1 58 ALA HA 1 61 LEU HA 2.700 . 5.000 4.973 4.848 5.037 0.037 10 0 "[ . 1 . 2]" 1
716 1 58 ALA HA 1 58 ALA MB 2.540 . 3.800 2.159 2.152 2.162 . 0 0 "[ . 1 . 2]" 1
717 1 58 ALA H 1 60 GLN H 4.190 . 5.000 4.481 4.191 4.752 . 0 0 "[ . 1 . 2]" 1
718 1 58 ALA HA 1 61 LEU HB3 2.730 . 3.800 3.518 3.287 3.745 . 0 0 "[ . 1 . 2]" 1
719 1 58 ALA H 1 58 ALA MB 2.760 . 3.800 2.215 2.162 2.238 . 0 0 "[ . 1 . 2]" 1
720 1 58 ALA HA 1 62 ARG HG2 2.730 . 5.000 4.638 4.525 4.700 . 0 0 "[ . 1 . 2]" 1
721 1 58 ALA HA 1 60 GLN H 3.460 . 5.000 4.672 4.275 5.053 0.053 13 0 "[ . 1 . 2]" 1
722 1 58 ALA MB 1 61 LEU HB2 3.350 . 5.000 3.617 3.471 3.737 . 0 0 "[ . 1 . 2]" 1
723 1 59 SER H 1 62 ARG HG2 3.990 . 5.000 4.324 4.046 4.413 . 0 0 "[ . 1 . 2]" 1
724 1 59 SER H 1 59 SER HB3 3.210 . 3.800 2.908 2.753 3.123 . 0 0 "[ . 1 . 2]" 1
725 1 59 SER HB2 1 62 ARG HG2 2.730 . 5.000 4.851 4.466 5.032 0.032 19 0 "[ . 1 . 2]" 1
726 1 59 SER H 1 59 SER HB2 3.080 . 3.800 2.187 2.003 2.295 . 0 0 "[ . 1 . 2]" 1
727 1 59 SER H 1 60 GLN H 3.220 . 3.800 2.808 2.595 2.980 . 0 0 "[ . 1 . 2]" 1
728 1 59 SER HA 1 62 ARG HG2 2.540 . 2.800 2.293 1.906 2.446 . 0 0 "[ . 1 . 2]" 1
729 1 59 SER HB3 1 62 ARG HG2 2.880 . 5.000 4.946 4.577 5.088 0.088 13 0 "[ . 1 . 2]" 1
730 1 59 SER HA 1 61 LEU H 2.930 . 5.000 4.201 4.036 4.319 . 0 0 "[ . 1 . 2]" 1
731 1 59 SER H 1 61 LEU H 4.320 . 5.000 3.728 3.562 3.831 . 0 0 "[ . 1 . 2]" 1
732 1 59 SER HB3 1 60 GLN H 2.890 . 3.800 2.233 1.894 2.538 0.006 13 0 "[ . 1 . 2]" 1
733 1 59 SER HB2 1 60 GLN H 3.460 . 3.800 3.315 2.891 3.581 . 0 0 "[ . 1 . 2]" 1
734 1 59 SER H 1 61 LEU HG 3.100 . 5.000 5.049 5.030 5.083 0.083 3 0 "[ . 1 . 2]" 1
735 1 59 SER HA 1 60 GLN H 3.000 3.000 4.000 3.547 3.531 3.564 . 0 0 "[ . 1 . 2]" 1
736 1 59 SER HA 1 62 ARG H 3.000 3.000 4.000 3.583 3.444 3.734 . 0 0 "[ . 1 . 2]" 1
737 1 59 SER HA 1 62 ARG HB3 3.000 3.000 5.000 4.603 4.167 4.858 . 0 0 "[ . 1 . 2]" 1
738 1 59 SER HA 1 62 ARG HD3 3.000 3.000 5.000 4.459 3.885 4.766 . 0 0 "[ . 1 . 2]" 1
739 1 60 GLN H 1 60 GLN HG2 3.340 . 5.000 4.477 4.395 4.577 . 0 0 "[ . 1 . 2]" 1
740 1 60 GLN HA 1 62 ARG H 2.850 . 5.000 4.144 3.995 4.502 . 0 0 "[ . 1 . 2]" 1
741 1 60 GLN H 1 60 GLN HG3 3.810 . 5.000 3.560 3.373 3.744 . 0 0 "[ . 1 . 2]" 1
742 1 60 GLN HA 1 60 GLN HB3 2.600 . 2.800 2.830 2.803 2.854 0.054 6 0 "[ . 1 . 2]" 1
743 1 60 GLN HE22 1 60 GLN HG2 3.680 . 5.000 4.117 4.073 4.127 . 0 0 "[ . 1 . 2]" 1
744 1 60 GLN HE22 1 60 GLN HG3 3.570 . 3.800 3.653 3.540 3.748 . 0 0 "[ . 1 . 2]" 1
745 1 60 GLN H 1 60 GLN HA 2.890 . 3.800 2.867 2.789 2.925 . 0 0 "[ . 1 . 2]" 1
746 1 60 GLN HG3 1 63 ALA H 3.050 . 5.000 5.089 5.064 5.111 0.111 2 0 "[ . 1 . 2]" 1
747 1 60 GLN HB2 1 60 GLN HG3 2.790 . 2.800 2.635 2.603 2.686 . 0 0 "[ . 1 . 2]" 1
748 1 60 GLN HA 1 60 GLN HG2 3.480 . 3.800 2.732 2.670 2.830 . 0 0 "[ . 1 . 2]" 1
749 1 60 GLN H 1 62 ARG HG2 3.780 . 5.000 4.685 4.259 4.903 . 0 0 "[ . 1 . 2]" 1
750 1 60 GLN HB3 1 61 LEU HB2 3.540 . 5.000 5.160 5.145 5.183 0.183 18 0 "[ . 1 . 2]" 1
751 1 60 GLN H 1 61 LEU H 3.430 . 3.800 2.534 2.326 2.741 . 0 0 "[ . 1 . 2]" 1
752 1 60 GLN H 1 60 GLN HB2 3.260 . 3.800 2.054 2.033 2.094 . 0 0 "[ . 1 . 2]" 1
753 1 60 GLN H 1 60 GLN HB3 3.340 . 3.800 3.274 3.212 3.343 . 0 0 "[ . 1 . 2]" 1
754 1 60 GLN HA 1 63 ALA MB 2.720 . 3.800 2.123 1.836 2.399 0.064 13 0 "[ . 1 . 2]" 1
755 1 60 GLN HA 1 61 LEU H 3.000 3.000 4.000 3.475 3.452 3.496 . 0 0 "[ . 1 . 2]" 1
756 1 60 GLN HA 1 63 ALA H 3.000 3.000 4.000 3.018 2.974 3.078 0.026 19 0 "[ . 1 . 2]" 1
757 1 61 LEU H 1 61 LEU HA 2.930 . 3.800 2.881 2.857 2.904 . 0 0 "[ . 1 . 2]" 1
758 1 61 LEU H 1 61 LEU HB3 2.790 . 3.800 3.534 3.503 3.553 . 0 0 "[ . 1 . 2]" 1
759 1 61 LEU HB3 1 61 LEU MD1 2.260 . 2.800 2.199 2.121 2.324 . 0 0 "[ . 1 . 2]" 1
760 1 61 LEU H 1 62 ARG HA 2.930 . 5.000 5.157 5.083 5.252 0.252 13 0 "[ . 1 . 2]" 1
761 1 61 LEU H 1 61 LEU MD1 3.050 . 5.000 3.876 3.824 3.922 . 0 0 "[ . 1 . 2]" 1
762 1 61 LEU H 1 62 ARG HG2 2.790 . 5.000 4.026 3.757 4.230 . 0 0 "[ . 1 . 2]" 1
763 1 61 LEU HA 1 61 LEU HG 2.920 . 3.800 3.017 2.907 3.103 . 0 0 "[ . 1 . 2]" 1
764 1 61 LEU H 1 61 LEU HG 3.250 . 3.800 2.590 2.446 2.765 . 0 0 "[ . 1 . 2]" 1
765 1 61 LEU HB3 1 61 LEU HG 2.630 . 2.800 2.998 2.994 3.001 0.201 18 0 "[ . 1 . 2]" 1
766 1 61 LEU H 1 62 ARG H 3.250 . 3.800 2.470 2.365 2.648 . 0 0 "[ . 1 . 2]" 1
767 1 61 LEU HG 1 62 ARG H 3.710 . 5.000 4.510 4.408 4.619 . 0 0 "[ . 1 . 2]" 1
768 1 61 LEU HB3 1 74 ARG HA 2.540 . 5.000 3.383 2.149 4.344 . 0 0 "[ . 1 . 2]" 1
769 1 61 LEU HB3 1 62 ARG HA 2.540 . 5.000 4.399 4.196 4.476 . 0 0 "[ . 1 . 2]" 1
770 1 61 LEU HB3 1 62 ARG H 2.760 . 3.800 3.573 3.163 3.717 . 0 0 "[ . 1 . 2]" 1
771 1 61 LEU HA 1 62 ARG H 3.000 3.000 4.000 3.519 3.490 3.560 . 0 0 "[ . 1 . 2]" 1
772 1 62 ARG HB3 1 62 ARG HD3 2.870 . 3.800 2.922 2.523 3.294 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG H 1 63 ALA MB 2.670 . 5.000 3.934 3.846 4.055 . 0 0 "[ . 1 . 2]" 1
774 1 62 ARG H 1 62 ARG HG2 2.760 . 2.800 2.145 1.842 2.415 0.058 13 0 "[ . 1 . 2]" 1
775 1 62 ARG H 1 63 ALA HA 3.150 . 5.000 4.876 4.687 5.009 0.009 13 0 "[ . 1 . 2]" 1
776 1 62 ARG H 1 74 ARG HA 2.850 . 5.000 4.492 3.886 4.901 . 0 0 "[ . 1 . 2]" 1
777 1 62 ARG HB3 1 62 ARG HE 3.750 . 3.800 3.375 2.850 3.813 0.013 9 0 "[ . 1 . 2]" 1
778 1 62 ARG H 1 62 ARG HA 2.850 . 3.800 2.955 2.913 2.962 . 0 0 "[ . 1 . 2]" 1
779 1 62 ARG H 1 62 ARG HB3 3.800 . 5.000 2.795 2.659 2.921 . 0 0 "[ . 1 . 2]" 1
780 1 62 ARG HA 1 65 ILE HB 2.540 . 5.000 3.915 2.610 4.979 . 0 0 "[ . 1 . 2]" 1
781 1 62 ARG HG2 1 74 ARG HA 2.540 . 5.000 5.038 4.956 5.132 0.132 13 0 "[ . 1 . 2]" 1
782 1 62 ARG HE 1 62 ARG HG2 3.920 . 5.000 2.866 2.408 3.143 . 0 0 "[ . 1 . 2]" 1
783 1 62 ARG HA 1 62 ARG HG2 2.540 . 3.800 3.789 3.679 3.844 0.044 18 0 "[ . 1 . 2]" 1
784 1 62 ARG HD3 1 62 ARG HG3 2.900 . 3.800 2.621 2.412 2.904 . 0 0 "[ . 1 . 2]" 1
785 1 62 ARG HD3 1 62 ARG HG2 2.960 . 3.800 2.982 2.810 3.034 . 0 0 "[ . 1 . 2]" 1
786 1 62 ARG H 1 62 ARG HG3 3.590 . 3.800 3.058 2.780 3.407 . 0 0 "[ . 1 . 2]" 1
787 1 62 ARG H 1 63 ALA H 2.400 2.400 3.100 2.314 2.256 2.495 0.144 4 0 "[ . 1 . 2]" 1
788 1 62 ARG HA 1 63 ALA H 3.000 3.000 4.000 3.363 3.278 3.457 . 0 0 "[ . 1 . 2]" 1
789 1 63 ALA HA 1 63 ALA MB 2.590 . 3.800 2.138 2.119 2.149 . 0 0 "[ . 1 . 2]" 1
790 1 63 ALA HA 1 64 ASN H 3.180 . 3.800 3.302 2.615 3.594 . 0 0 "[ . 1 . 2]" 1
791 1 63 ALA MB 1 64 ASN H 3.290 . 4.800 2.808 1.807 3.733 0.093 3 0 "[ . 1 . 2]" 1
792 1 64 ASN HB2 1 64 ASN HD21 2.920 . 3.800 2.676 2.408 2.949 . 0 0 "[ . 1 . 2]" 1
793 1 64 ASN H 1 64 ASN HB3 3.610 . 3.800 3.243 2.520 3.820 0.020 19 0 "[ . 1 . 2]" 1
794 1 64 ASN H 1 64 ASN HB2 3.330 . 3.800 2.714 2.086 3.535 . 0 0 "[ . 1 . 2]" 1
795 1 64 ASN HB3 1 64 ASN HD22 3.570 . 3.800 3.676 3.572 3.799 . 0 0 "[ . 1 . 2]" 1
796 1 64 ASN HA 1 65 ILE H 3.510 . 3.800 3.447 2.849 3.601 . 0 0 "[ . 1 . 2]" 1
797 1 64 ASN HB3 1 65 ILE HA 3.210 . 5.000 4.349 3.939 4.928 . 0 0 "[ . 1 . 2]" 1
798 1 64 ASN HB2 1 64 ASN HD22 3.230 . 3.800 3.685 3.573 3.802 0.002 12 0 "[ . 1 . 2]" 1
799 1 64 ASN HB3 1 64 ASN HD21 2.970 . 3.800 2.660 2.408 2.948 . 0 0 "[ . 1 . 2]" 1
800 1 65 ILE H 1 65 ILE HG13 3.440 . 3.800 2.823 1.869 3.826 0.031 2 0 "[ . 1 . 2]" 1
801 1 65 ILE HA 1 65 ILE HB 2.880 . 3.800 2.976 2.706 3.026 . 0 0 "[ . 1 . 2]" 1
802 1 65 ILE HA 1 65 ILE MG 2.690 . 3.800 2.058 1.915 2.187 . 0 0 "[ . 1 . 2]" 1
803 1 65 ILE HA 1 66 SER H 2.910 . 3.800 2.667 2.474 2.938 . 0 0 "[ . 1 . 2]" 1
804 1 65 ILE H 1 65 ILE HG12 3.640 . 5.000 2.719 1.872 3.845 0.028 19 0 "[ . 1 . 2]" 1
805 1 65 ILE H 1 65 ILE HA 2.950 . 3.800 2.936 2.773 2.992 . 0 0 "[ . 1 . 2]" 1
806 1 65 ILE H 1 66 SER H 3.700 . 4.800 4.479 4.229 4.696 . 0 0 "[ . 1 . 2]" 1
807 1 65 ILE MG 1 66 SER H 3.480 . 6.000 1.955 1.773 2.999 0.127 7 0 "[ . 1 . 2]" 1
808 1 65 ILE HB 1 66 SER H 3.560 . 5.000 2.719 1.866 3.292 0.034 8 0 "[ . 1 . 2]" 1
809 1 66 SER H 1 70 MET HG2 4.150 . 5.000 4.925 4.201 5.065 0.065 3 0 "[ . 1 . 2]" 1
810 1 66 SER H 1 66 SER HB3 3.330 . 3.800 3.490 3.118 3.809 0.009 5 0 "[ . 1 . 2]" 1
811 1 66 SER H 1 70 MET HB2 3.680 . 3.800 2.624 2.350 3.269 . 0 0 "[ . 1 . 2]" 1
812 1 66 SER H 1 70 MET HB3 3.480 . 3.800 2.987 2.552 3.532 . 0 0 "[ . 1 . 2]" 1
813 1 66 SER H 1 70 MET HA 3.630 . 5.000 4.891 4.698 5.079 0.079 13 0 "[ . 1 . 2]" 1
814 1 66 SER HA 1 71 GLN H 3.090 . 3.800 3.498 3.328 3.716 . 0 0 "[ . 1 . 2]" 1
815 1 66 SER H 1 69 ASP H 3.350 . 5.000 4.933 4.644 5.056 0.056 9 0 "[ . 1 . 2]" 1
816 1 66 SER H 1 67 HIS H 3.350 . 5.000 2.025 1.872 2.728 0.028 5 0 "[ . 1 . 2]" 1
817 1 66 SER HA 1 66 SER HB3 2.840 . 3.800 2.864 2.398 3.032 . 0 0 "[ . 1 . 2]" 1
818 1 66 SER HA 1 70 MET H 3.180 . 5.000 4.194 4.050 4.332 . 0 0 "[ . 1 . 2]" 1
819 1 66 SER H 1 69 ASP HB3 4.150 . 5.000 4.562 3.876 5.034 0.034 3 0 "[ . 1 . 2]" 1
820 1 66 SER H 1 69 ASP HB2 4.430 . 5.000 4.398 3.911 5.002 0.002 4 0 "[ . 1 . 2]" 1
821 1 67 HIS H 1 70 MET HB2 3.680 . 5.000 2.662 2.330 3.402 . 0 0 "[ . 1 . 2]" 1
822 1 67 HIS HB3 1 71 GLN H 4.510 . 5.000 4.995 4.921 5.072 0.072 13 0 "[ . 1 . 2]" 1
823 1 67 HIS H 1 71 GLN HB3 3.680 . 5.000 4.839 4.443 5.021 0.021 7 0 "[ . 1 . 2]" 1
824 1 67 HIS H 1 72 LEU H 3.830 . 5.000 4.887 4.681 5.027 0.027 13 0 "[ . 1 . 2]" 1
825 1 67 HIS HA 1 69 ASP H 3.540 . 4.800 4.723 4.319 4.843 0.043 1 0 "[ . 1 . 2]" 1
826 1 67 HIS H 1 71 GLN HB2 3.160 . 4.800 4.416 3.579 4.805 0.005 2 0 "[ . 1 . 2]" 1
827 1 67 HIS H 1 70 MET H 3.350 . 5.000 2.061 1.986 2.232 . 0 0 "[ . 1 . 2]" 1
828 1 67 HIS HB2 1 71 GLN H 4.460 . 5.000 5.032 4.872 5.073 0.073 2 0 "[ . 1 . 2]" 1
829 1 67 HIS H 1 70 MET HB3 3.160 . 3.800 1.995 1.870 2.501 0.030 4 0 "[ . 1 . 2]" 1
830 1 67 HIS HA 1 68 LYS H 3.790 . 3.800 2.987 2.747 3.118 . 0 0 "[ . 1 . 2]" 1
831 1 67 HIS HB3 1 70 MET H 4.480 . 5.000 4.244 3.946 5.038 0.038 13 0 "[ . 1 . 2]" 1
832 1 67 HIS HB2 1 68 LYS H 4.560 . 5.000 3.285 1.926 3.610 . 0 0 "[ . 1 . 2]" 1
833 1 68 LYS HA 1 69 ASP H 2.990 . 3.800 3.558 3.526 3.570 . 0 0 "[ . 1 . 2]" 1
834 1 68 LYS H 1 68 LYS HD3 3.660 . 5.000 4.480 2.511 4.979 . 0 0 "[ . 1 . 2]" 1
835 1 68 LYS HA 1 70 MET H 3.620 . 5.000 4.920 4.671 5.039 0.039 20 0 "[ . 1 . 2]" 1
836 1 68 LYS HA 1 73 GLY H 2.990 . 5.000 4.454 4.365 4.513 . 0 0 "[ . 1 . 2]" 1
837 1 68 LYS HD3 1 72 LEU MD2 2.730 . 6.000 3.934 2.524 4.857 . 0 0 "[ . 1 . 2]" 1
838 1 68 LYS HG3 1 69 ASP H 4.150 . 5.000 4.501 3.777 4.973 . 0 0 "[ . 1 . 2]" 1
839 1 69 ASP HA 1 70 MET H 3.140 . 3.800 3.585 3.577 3.595 . 0 0 "[ . 1 . 2]" 1
840 1 69 ASP H 1 70 MET H 3.350 . 3.800 2.790 2.670 2.973 . 0 0 "[ . 1 . 2]" 1
841 1 69 ASP H 1 72 LEU H 3.830 . 5.000 4.395 4.208 4.452 . 0 0 "[ . 1 . 2]" 1
842 1 69 ASP HB3 1 70 MET H 4.150 . 5.000 2.682 2.251 3.093 . 0 0 "[ . 1 . 2]" 1
843 1 69 ASP H 1 74 ARG H 4.260 . 5.500 5.810 5.768 5.838 0.338 19 0 "[ . 1 . 2]" 1
844 1 69 ASP H 1 73 GLY QA 3.040 . 6.000 5.266 5.211 5.357 . 0 0 "[ . 1 . 2]" 1
845 1 70 MET HB3 1 71 GLN HA 3.550 . 5.000 4.167 3.894 4.598 . 0 0 "[ . 1 . 2]" 1
846 1 70 MET H 1 70 MET HG2 4.150 . 5.000 4.401 4.261 4.664 . 0 0 "[ . 1 . 2]" 1
847 1 70 MET HB3 1 71 GLN H 3.160 . 3.800 1.967 1.860 2.225 0.040 19 0 "[ . 1 . 2]" 1
848 1 70 MET H 1 73 GLY H 3.350 . 5.000 4.690 4.520 4.789 . 0 0 "[ . 1 . 2]" 1
849 1 70 MET HA 1 71 GLN H 3.090 . 3.800 3.582 3.575 3.590 . 0 0 "[ . 1 . 2]" 1
850 1 70 MET HA 1 70 MET HG3 4.150 . 5.000 3.290 2.517 3.553 . 0 0 "[ . 1 . 2]" 1
851 1 70 MET HB2 1 71 GLN H 3.680 . 3.800 3.477 3.272 3.659 . 0 0 "[ . 1 . 2]" 1
852 1 70 MET H 1 70 MET HB2 3.680 . 3.800 2.558 2.316 2.923 . 0 0 "[ . 1 . 2]" 1
853 1 70 MET HA 1 74 ARG H 4.520 . 5.000 2.533 1.956 2.862 . 0 0 "[ . 1 . 2]" 1
854 1 70 MET H 1 71 GLN H 3.460 . 5.000 2.964 2.842 3.044 . 0 0 "[ . 1 . 2]" 1
855 1 71 GLN H 1 71 GLN HB2 3.160 . 3.800 2.400 2.144 2.646 . 0 0 "[ . 1 . 2]" 1
856 1 71 GLN HA 1 72 LEU H 3.180 . 3.800 3.571 3.550 3.599 . 0 0 "[ . 1 . 2]" 1
857 1 71 GLN H 1 71 GLN HB3 3.680 . 3.800 2.827 2.552 3.290 . 0 0 "[ . 1 . 2]" 1
858 1 71 GLN H 1 74 ARG H 4.260 . 5.000 4.511 4.460 4.577 . 0 0 "[ . 1 . 2]" 1
859 1 71 GLN H 1 72 LEU H 3.830 . 5.000 3.016 2.977 3.119 . 0 0 "[ . 1 . 2]" 1
860 1 72 LEU H 1 73 GLY H 3.830 . 5.000 2.713 2.602 2.768 . 0 0 "[ . 1 . 2]" 1
861 1 72 LEU HA 1 73 GLY H 3.140 . 3.800 3.540 3.523 3.550 . 0 0 "[ . 1 . 2]" 1
862 1 72 LEU HB2 1 72 LEU MD1 2.560 . 2.800 2.282 2.068 2.371 . 0 0 "[ . 1 . 2]" 1
863 1 72 LEU MD1 1 73 GLY H 3.140 . 5.000 4.230 4.174 4.272 . 0 0 "[ . 1 . 2]" 1
864 1 72 LEU QB 1 74 ARG H 4.090 . 6.000 4.181 4.011 4.451 . 0 0 "[ . 1 . 2]" 1
865 1 73 GLY H 1 74 ARG H 4.260 . 5.000 2.930 2.803 3.121 . 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 60
_Distance_constraint_stats_list.Viol_count 712
_Distance_constraint_stats_list.Viol_total 1178.137
_Distance_constraint_stats_list.Viol_max 0.416
_Distance_constraint_stats_list.Viol_rms 0.0727
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0491
_Distance_constraint_stats_list.Viol_average_violations_only 0.0827
_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 6 ILE 0.003 0.002 12 0 "[ . 1 . 2]"
1 7 GLU 1.158 0.080 9 0 "[ . 1 . 2]"
1 8 GLU 1.420 0.094 4 0 "[ . 1 . 2]"
1 10 ALA 0.003 0.002 12 0 "[ . 1 . 2]"
1 11 ALA 1.158 0.080 9 0 "[ . 1 . 2]"
1 12 LYS 1.420 0.094 4 0 "[ . 1 . 2]"
1 18 VAL 1.280 0.066 20 0 "[ . 1 . 2]"
1 19 LYS 1.204 0.072 1 0 "[ . 1 . 2]"
1 20 LYS 1.194 0.080 15 0 "[ . 1 . 2]"
1 21 CYS 1.800 0.075 4 0 "[ . 1 . 2]"
1 22 CYS 2.173 0.066 20 0 "[ . 1 . 2]"
1 23 TYR 2.717 0.089 1 0 "[ . 1 . 2]"
1 24 ASP 9.480 0.273 2 0 "[ . 1 . 2]"
1 25 GLY 1.800 0.075 4 0 "[ . 1 . 2]"
1 26 ALA 0.893 0.049 14 0 "[ . 1 . 2]"
1 27 CYS 1.514 0.089 1 0 "[ . 1 . 2]"
1 28 VAL 8.286 0.273 2 0 "[ . 1 . 2]"
1 33 THR 1.334 0.156 1 0 "[ . 1 . 2]"
1 34 CYS 1.355 0.100 1 0 "[ . 1 . 2]"
1 35 GLU 3.888 0.198 14 0 "[ . 1 . 2]"
1 37 ARG 1.334 0.156 1 0 "[ . 1 . 2]"
1 38 ALA 1.355 0.100 1 0 "[ . 1 . 2]"
1 39 ALA 3.888 0.198 14 0 "[ . 1 . 2]"
1 46 ARG 0.794 0.068 2 0 "[ . 1 . 2]"
1 47 CYS 0.056 0.027 20 0 "[ . 1 . 2]"
1 48 ILE 3.328 0.208 16 0 "[ . 1 . 2]"
1 49 LYS 1.879 0.105 5 0 "[ . 1 . 2]"
1 50 ALA 1.284 0.068 2 0 "[ . 1 . 2]"
1 51 PHE 0.056 0.027 20 0 "[ . 1 . 2]"
1 52 THR 3.979 0.208 16 0 "[ . 1 . 2]"
1 53 GLU 2.351 0.105 5 0 "[ . 1 . 2]"
1 54 CYS 1.986 0.087 15 0 "[ . 1 . 2]"
1 55 CYS 3.607 0.159 3 0 "[ . 1 . 2]"
1 56 VAL 1.222 0.059 12 0 "[ . 1 . 2]"
1 57 VAL 1.710 0.103 13 0 "[ . 1 . 2]"
1 58 ALA 2.313 0.087 15 0 "[ . 1 . 2]"
1 59 SER 6.058 0.159 3 0 "[ . 1 . 2]"
1 60 GLN 0.571 0.048 5 0 "[ . 1 . 2]"
1 61 LEU 1.238 0.103 13 0 "[ . 1 . 2]"
1 62 ARG 0.817 0.053 9 0 "[ . 1 . 2]"
1 63 ALA 2.451 0.090 10 0 "[ . 1 . 2]"
1 68 LYS 2.667 0.174 7 0 "[ . 1 . 2]"
1 69 ASP 12.520 0.416 17 0 "[ . 1 . 2]"
1 70 MET 0.542 0.058 13 0 "[ . 1 . 2]"
1 72 LEU 2.667 0.174 7 0 "[ . 1 . 2]"
1 73 GLY 12.520 0.416 17 0 "[ . 1 . 2]"
1 74 ARG 0.542 0.058 13 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 6 ILE O 1 10 ALA H 1.900 . 2.100 2.081 2.052 2.102 0.002 12 0 "[ . 1 . 2]" 2
2 1 6 ILE O 1 10 ALA N 2.700 2.700 3.000 2.947 2.842 2.998 . 0 0 "[ . 1 . 2]" 2
3 1 7 GLU O 1 11 ALA H 1.800 . 2.000 2.057 2.039 2.080 0.080 9 0 "[ . 1 . 2]" 2
4 1 7 GLU O 1 11 ALA N 2.700 2.700 3.000 2.955 2.893 3.009 0.009 9 0 "[ . 1 . 2]" 2
5 1 8 GLU O 1 12 LYS H 1.800 . 2.000 2.071 2.055 2.094 0.094 4 0 "[ . 1 . 2]" 2
6 1 8 GLU O 1 12 LYS N 2.700 2.700 3.000 2.880 2.814 2.939 . 0 0 "[ . 1 . 2]" 2
7 1 18 VAL O 1 22 CYS H 1.800 . 2.000 2.052 2.042 2.066 0.066 20 0 "[ . 1 . 2]" 2
8 1 18 VAL O 1 22 CYS N 2.700 2.700 3.000 3.011 2.985 3.023 0.023 14 0 "[ . 1 . 2]" 2
9 1 19 LYS O 1 23 TYR H 1.800 . 2.000 2.060 2.048 2.072 0.072 1 0 "[ . 1 . 2]" 2
10 1 19 LYS O 1 23 TYR N 2.700 2.700 3.000 2.832 2.781 2.881 . 0 0 "[ . 1 . 2]" 2
11 1 20 LYS O 1 24 ASP H 1.800 . 2.000 2.059 2.035 2.080 0.080 15 0 "[ . 1 . 2]" 2
12 1 20 LYS O 1 24 ASP N 2.700 2.700 3.000 2.990 2.964 3.006 0.006 15 0 "[ . 1 . 2]" 2
13 1 21 CYS O 1 25 GLY H 1.800 . 2.000 2.064 2.054 2.075 0.075 4 0 "[ . 1 . 2]" 2
14 1 21 CYS O 1 25 GLY N 2.700 2.700 3.000 3.026 3.008 3.044 0.044 4 0 "[ . 1 . 2]" 2
15 1 22 CYS O 1 26 ALA H 1.800 . 2.000 2.035 2.009 2.049 0.049 14 0 "[ . 1 . 2]" 2
16 1 22 CYS O 1 26 ALA N 2.700 2.700 3.000 3.008 2.981 3.025 0.025 17 0 "[ . 1 . 2]" 2
17 1 23 TYR O 1 27 CYS H 1.800 . 2.000 2.075 2.063 2.089 0.089 1 0 "[ . 1 . 2]" 2
18 1 23 TYR O 1 27 CYS N 2.700 2.700 3.000 2.962 2.896 3.005 0.005 1 0 "[ . 1 . 2]" 2
19 1 24 ASP O 1 28 VAL H 1.800 . 2.000 2.182 2.142 2.226 0.226 2 0 "[ . 1 . 2]" 2
20 1 24 ASP O 1 28 VAL N 2.700 2.700 3.000 2.468 2.427 2.502 0.273 2 0 "[ . 1 . 2]" 2
21 1 33 THR O 1 37 ARG H 1.800 . 2.000 2.066 2.018 2.156 0.156 1 0 "[ . 1 . 2]" 2
22 1 33 THR O 1 37 ARG N 2.700 2.700 3.000 2.787 2.697 2.961 0.003 18 0 "[ . 1 . 2]" 2
23 1 34 CYS O 1 38 ALA H 1.800 . 2.000 2.068 2.030 2.100 0.100 1 0 "[ . 1 . 2]" 2
24 1 34 CYS O 1 38 ALA N 2.700 2.700 3.000 2.934 2.861 2.995 . 0 0 "[ . 1 . 2]" 2
25 1 35 GLU O 1 39 ALA H 1.800 . 2.000 2.158 2.100 2.198 0.198 14 0 "[ . 1 . 2]" 2
26 1 35 GLU O 1 39 ALA N 2.700 2.700 3.000 3.036 3.003 3.084 0.084 12 0 "[ . 1 . 2]" 2
27 1 46 ARG O 1 50 ALA H 1.800 . 2.000 2.040 2.026 2.068 0.068 2 0 "[ . 1 . 2]" 2
28 1 46 ARG O 1 50 ALA N 2.700 2.700 3.000 2.775 2.735 2.811 . 0 0 "[ . 1 . 2]" 2
29 1 47 CYS O 1 51 PHE H 1.800 . 2.000 1.911 1.893 1.931 . 0 0 "[ . 1 . 2]" 2
30 1 47 CYS O 1 51 PHE N 2.700 2.700 3.000 2.709 2.673 2.752 0.027 20 0 "[ . 1 . 2]" 2
31 1 48 ILE O 1 52 THR H 1.800 . 2.000 2.166 2.144 2.208 0.208 16 0 "[ . 1 . 2]" 2
32 1 48 ILE O 1 52 THR N 2.700 2.700 3.000 2.963 2.943 3.006 0.006 16 0 "[ . 1 . 2]" 2
33 1 49 LYS O 1 53 GLU H 1.800 . 2.000 2.094 2.077 2.105 0.105 5 0 "[ . 1 . 2]" 2
34 1 49 LYS O 1 53 GLU N 2.700 2.700 3.000 2.905 2.873 2.947 . 0 0 "[ . 1 . 2]" 2
35 1 50 ALA O 1 54 CYS H 1.800 . 2.000 2.024 2.001 2.043 0.043 9 0 "[ . 1 . 2]" 2
36 1 50 ALA O 1 54 CYS N 2.700 2.700 3.000 2.947 2.889 2.995 . 0 0 "[ . 1 . 2]" 2
37 1 51 PHE O 1 55 CYS H 1.800 . 2.000 1.893 1.873 1.937 . 0 0 "[ . 1 . 2]" 2
38 1 51 PHE O 1 55 CYS N 2.700 2.700 3.000 2.743 2.707 2.792 . 0 0 "[ . 1 . 2]" 2
39 1 52 THR O 1 56 VAL H 1.800 . 2.000 2.033 2.001 2.059 0.059 12 0 "[ . 1 . 2]" 2
40 1 52 THR O 1 56 VAL N 2.700 2.700 3.000 2.792 2.753 2.831 . 0 0 "[ . 1 . 2]" 2
41 1 53 GLU O 1 57 VAL H 1.800 . 2.000 2.014 1.918 2.040 0.040 17 0 "[ . 1 . 2]" 2
42 1 53 GLU O 1 57 VAL N 2.700 2.700 3.000 2.955 2.875 2.981 . 0 0 "[ . 1 . 2]" 2
43 1 54 CYS O 1 58 ALA H 1.800 . 2.000 2.075 2.059 2.087 0.087 15 0 "[ . 1 . 2]" 2
44 1 54 CYS O 1 58 ALA N 2.700 2.700 3.000 2.890 2.855 2.923 . 0 0 "[ . 1 . 2]" 2
45 1 55 CYS O 1 59 SER H 1.800 . 2.000 2.129 2.105 2.159 0.159 3 0 "[ . 1 . 2]" 2
46 1 55 CYS O 1 59 SER N 2.700 2.700 3.000 2.649 2.624 2.712 0.076 15 0 "[ . 1 . 2]" 2
47 1 56 VAL O 1 60 GLN H 1.800 . 2.000 2.028 1.983 2.048 0.048 5 0 "[ . 1 . 2]" 2
48 1 56 VAL O 1 60 GLN N 2.700 2.700 3.000 2.928 2.875 2.971 . 0 0 "[ . 1 . 2]" 2
49 1 57 VAL O 1 61 LEU H 1.800 . 2.000 2.062 2.024 2.103 0.103 13 0 "[ . 1 . 2]" 2
50 1 57 VAL O 1 61 LEU N 2.700 2.700 3.000 2.911 2.843 2.962 . 0 0 "[ . 1 . 2]" 2
51 1 58 ALA O 1 62 ARG H 1.800 . 2.000 2.041 2.028 2.053 0.053 9 0 "[ . 1 . 2]" 2
52 1 58 ALA O 1 62 ARG N 2.700 2.700 3.000 2.864 2.766 2.966 . 0 0 "[ . 1 . 2]" 2
53 1 59 SER O 1 63 ALA H 1.800 . 2.000 2.076 2.052 2.089 0.089 3 0 "[ . 1 . 2]" 2
54 1 59 SER O 1 63 ALA N 2.700 2.700 3.000 2.658 2.610 2.743 0.090 10 0 "[ . 1 . 2]" 2
55 1 68 LYS O 1 72 LEU H 1.800 . 2.000 2.133 2.104 2.174 0.174 7 0 "[ . 1 . 2]" 2
56 1 68 LYS O 1 72 LEU N 2.700 2.700 3.000 2.877 2.844 2.919 . 0 0 "[ . 1 . 2]" 2
57 1 69 ASP O 1 73 GLY H 1.800 . 2.000 2.371 2.299 2.416 0.416 17 0 "[ . 1 . 2]" 2
58 1 69 ASP O 1 73 GLY N 2.700 2.700 3.000 2.445 2.421 2.473 0.279 14 0 "[ . 1 . 2]" 2
59 1 70 MET O 1 74 ARG H 1.800 . 2.000 2.017 1.999 2.058 0.058 13 0 "[ . 1 . 2]" 2
60 1 70 MET O 1 74 ARG N 2.700 2.700 3.000 2.698 2.667 2.754 0.033 4 0 "[ . 1 . 2]" 2
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