NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555527 |
2m0o   |
18813 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0o
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 855
_Distance_constraint_stats_list.Viol_count 911
_Distance_constraint_stats_list.Viol_total 1166.868
_Distance_constraint_stats_list.Viol_max 0.415
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.015 0.015 9 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TRP 0.015 0.015 9 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.332 0.180 6 0 "[ . 1 . 2]"
1 27 LEU 0.617 0.180 6 0 "[ . 1 . 2]"
1 28 TRP 3.052 0.092 5 0 "[ . 1 . 2]"
1 29 GLU 0.105 0.013 5 0 "[ . 1 . 2]"
1 30 GLY 1.359 0.090 16 0 "[ . 1 . 2]"
1 31 GLN 0.660 0.044 10 0 "[ . 1 . 2]"
1 32 ASP 0.666 0.057 20 0 "[ . 1 . 2]"
1 33 VAL 2.368 0.133 12 0 "[ . 1 . 2]"
1 34 LEU 0.731 0.064 11 0 "[ . 1 . 2]"
1 35 ALA 2.175 0.150 20 0 "[ . 1 . 2]"
1 36 ARG 7.731 0.159 13 0 "[ . 1 . 2]"
1 37 TRP 4.775 0.199 1 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.584 0.102 13 0 "[ . 1 . 2]"
1 40 GLY 0.584 0.102 13 0 "[ . 1 . 2]"
1 41 LEU 0.062 0.036 6 0 "[ . 1 . 2]"
1 42 LEU 7.338 0.212 4 0 "[ . 1 . 2]"
1 43 TYR 3.032 0.199 1 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 1.340 0.099 1 0 "[ . 1 . 2]"
1 46 THR 1.441 0.090 16 0 "[ . 1 . 2]"
1 47 ILE 2.881 0.133 12 0 "[ . 1 . 2]"
1 48 LYS 0.324 0.067 17 0 "[ . 1 . 2]"
1 49 LYS 1.996 0.157 11 0 "[ . 1 . 2]"
1 50 VAL 2.675 0.137 4 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.824 0.076 20 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.261 0.055 19 0 "[ . 1 . 2]"
1 55 GLU 1.600 0.099 10 0 "[ . 1 . 2]"
1 56 VAL 2.210 0.125 9 0 "[ . 1 . 2]"
1 57 CYS 0.787 0.086 7 0 "[ . 1 . 2]"
1 58 LEU 4.012 0.162 9 0 "[ . 1 . 2]"
1 59 VAL 0.111 0.037 8 0 "[ . 1 . 2]"
1 60 GLN 2.277 0.147 1 0 "[ . 1 . 2]"
1 61 PHE 6.427 0.167 9 0 "[ . 1 . 2]"
1 62 GLU 3.235 0.214 14 0 "[ . 1 . 2]"
1 63 ASP 0.331 0.105 20 0 "[ . 1 . 2]"
1 64 ASP 1.817 0.147 1 0 "[ . 1 . 2]"
1 65 SER 5.902 0.159 16 0 "[ . 1 . 2]"
1 66 GLN 0.812 0.066 1 0 "[ . 1 . 2]"
1 67 PHE 3.397 0.151 20 0 "[ . 1 . 2]"
1 68 LEU 1.847 0.162 9 0 "[ . 1 . 2]"
1 69 VAL 1.361 0.052 10 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TRP 6.211 0.125 9 0 "[ . 1 . 2]"
1 72 LYS 0.425 0.105 14 0 "[ . 1 . 2]"
1 73 ASP 2.984 0.105 14 0 "[ . 1 . 2]"
1 74 ILE 1.893 0.118 20 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.494 0.044 10 0 "[ . 1 . 2]"
1 77 ALA 0.958 0.064 11 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LYS 2.789 0.214 14 0 "[ . 1 . 2]"
2 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 HIS 4.399 0.212 4 0 "[ . 1 . 2]"
2 10 ARG 0.434 0.175 12 0 "[ . 1 . 2]"
2 11 TYR 1.613 0.415 3 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 SER HA 1 7 GLY H 3.000 . 4.200 2.798 2.120 3.556 . 0 0 "[ . 1 . 2]" 1
2 1 10 SER HA 1 11 LEU H 3.100 . 4.400 2.475 2.111 3.550 . 0 0 "[ . 1 . 2]" 1
3 1 10 SER HA 1 12 TRP H 3.400 . 5.000 3.988 3.227 5.015 0.015 9 0 "[ . 1 . 2]" 1
4 1 10 SER HB3 1 11 LEU H 3.400 . 5.000 3.676 2.119 4.349 . 0 0 "[ . 1 . 2]" 1
5 1 11 LEU H 1 11 LEU HB3 3.100 . 4.400 3.461 2.920 4.153 . 0 0 "[ . 1 . 2]" 1
6 1 11 LEU HA 1 12 TRP H 3.200 . 4.600 3.292 2.171 3.576 . 0 0 "[ . 1 . 2]" 1
7 1 11 LEU HB3 1 12 TRP H 3.400 . 5.000 3.514 2.298 4.422 . 0 0 "[ . 1 . 2]" 1
8 1 12 TRP H 1 12 TRP HB3 3.300 . 4.800 3.395 3.025 3.760 . 0 0 "[ . 1 . 2]" 1
9 1 12 TRP H 1 12 TRP HB2 3.400 . 5.000 3.023 2.566 3.866 . 0 0 "[ . 1 . 2]" 1
10 1 14 PRO HA 1 15 ALA H 3.200 . 4.600 2.341 2.134 3.501 . 0 0 "[ . 1 . 2]" 1
11 1 14 PRO HB3 1 15 ALA H 3.400 . 5.000 3.773 2.967 4.685 . 0 0 "[ . 1 . 2]" 1
12 1 14 PRO HB2 1 15 ALA H 3.400 . 5.000 3.544 1.926 4.385 . 0 0 "[ . 1 . 2]" 1
13 1 15 ALA H 1 15 ALA HA 2.700 . 3.600 2.934 2.901 2.946 . 0 0 "[ . 1 . 2]" 1
14 1 15 ALA H 1 15 ALA MB 3.100 . 4.400 2.352 2.261 2.416 . 0 0 "[ . 1 . 2]" 1
15 1 15 ALA H 1 16 SER H 3.200 . 4.600 2.200 2.019 2.568 . 0 0 "[ . 1 . 2]" 1
16 1 15 ALA HA 1 16 SER H 3.100 . 4.400 3.381 3.160 3.466 . 0 0 "[ . 1 . 2]" 1
17 1 15 ALA MB 1 16 SER H 3.400 . 5.000 3.097 2.962 3.470 . 0 0 "[ . 1 . 2]" 1
18 1 17 PRO HA 1 18 ALA H 2.800 . 3.800 2.575 2.139 3.570 . 0 0 "[ . 1 . 2]" 1
19 1 17 PRO HB3 1 18 ALA H 3.400 . 5.000 3.741 2.908 4.511 . 0 0 "[ . 1 . 2]" 1
20 1 17 PRO HB2 1 18 ALA H 3.400 . 5.000 3.352 2.136 4.167 . 0 0 "[ . 1 . 2]" 1
21 1 19 PRO HA 1 20 THR H 3.000 . 4.200 2.853 2.128 3.592 . 0 0 "[ . 1 . 2]" 1
22 1 19 PRO HB2 1 20 THR H 3.400 . 5.000 3.254 2.542 4.375 . 0 0 "[ . 1 . 2]" 1
23 1 20 THR HA 1 21 SER H 3.400 . 5.000 2.630 2.121 3.565 . 0 0 "[ . 1 . 2]" 1
24 1 25 PRO HA 1 26 ARG H 2.900 . 4.000 2.245 2.126 2.484 . 0 0 "[ . 1 . 2]" 1
25 1 25 PRO HB3 1 26 ARG H 3.400 . 5.000 3.559 2.815 4.057 . 0 0 "[ . 1 . 2]" 1
26 1 25 PRO HB2 1 26 ARG H 3.400 . 5.000 3.319 2.460 3.821 . 0 0 "[ . 1 . 2]" 1
27 1 26 ARG H 1 26 ARG HB3 3.100 . 4.400 3.507 2.996 4.162 . 0 0 "[ . 1 . 2]" 1
28 1 26 ARG H 1 27 LEU H 3.400 . 5.000 2.888 1.819 4.519 . 0 0 "[ . 1 . 2]" 1
29 1 26 ARG HA 1 27 LEU H 3.000 . 4.200 3.266 2.354 3.588 . 0 0 "[ . 1 . 2]" 1
30 1 26 ARG HB3 1 27 LEU H 3.400 . 5.000 2.820 1.952 3.495 . 0 0 "[ . 1 . 2]" 1
31 1 26 ARG HB3 1 27 LEU HA 3.400 . 5.000 4.434 3.940 4.769 . 0 0 "[ . 1 . 2]" 1
32 1 26 ARG HB3 1 27 LEU HB3 3.400 . 5.500 5.267 4.931 5.680 0.180 6 0 "[ . 1 . 2]" 1
33 1 27 LEU H 1 27 LEU HB3 3.100 . 4.400 3.583 3.414 3.721 . 0 0 "[ . 1 . 2]" 1
34 1 27 LEU H 1 27 LEU MD1 3.400 . 5.000 4.003 3.790 4.135 . 0 0 "[ . 1 . 2]" 1
35 1 27 LEU H 1 27 LEU MD2 3.400 . 5.000 3.079 2.370 3.698 . 0 0 "[ . 1 . 2]" 1
36 1 27 LEU H 1 28 TRP HB3 3.400 . 5.000 4.601 4.052 5.048 0.048 1 0 "[ . 1 . 2]" 1
37 1 27 LEU HA 1 27 LEU MD1 2.900 . 4.000 1.989 1.920 2.061 . 0 0 "[ . 1 . 2]" 1
38 1 27 LEU HA 1 27 LEU MD2 3.400 . 5.000 2.952 2.781 3.145 . 0 0 "[ . 1 . 2]" 1
39 1 27 LEU HA 1 28 TRP H 2.900 . 4.000 2.128 2.114 2.143 . 0 0 "[ . 1 . 2]" 1
40 1 27 LEU HA 1 47 ILE MD 3.400 . 5.000 4.064 4.017 4.115 . 0 0 "[ . 1 . 2]" 1
41 1 27 LEU HA 1 47 ILE MG 3.400 . 5.000 4.008 3.904 4.087 . 0 0 "[ . 1 . 2]" 1
42 1 27 LEU HA 1 31 GLN HE22 3.400 . 5.000 3.931 3.727 4.312 . 0 0 "[ . 1 . 2]" 1
43 1 27 LEU HB3 1 27 LEU MD1 3.400 . 5.000 2.554 2.447 2.730 . 0 0 "[ . 1 . 2]" 1
44 1 27 LEU HB3 1 27 LEU MD2 3.400 . 5.000 3.169 3.109 3.203 . 0 0 "[ . 1 . 2]" 1
45 1 27 LEU HB3 1 28 TRP H 3.400 . 5.000 3.652 3.417 3.757 . 0 0 "[ . 1 . 2]" 1
46 1 27 LEU MD1 1 28 TRP H 3.400 . 5.000 3.078 3.001 3.154 . 0 0 "[ . 1 . 2]" 1
47 1 27 LEU MD1 1 31 GLN HE21 3.400 . 5.000 2.664 2.512 3.833 . 0 0 "[ . 1 . 2]" 1
48 1 27 LEU MD1 1 31 GLN HE22 3.400 . 5.000 3.957 3.911 4.010 . 0 0 "[ . 1 . 2]" 1
49 1 27 LEU MD1 1 50 VAL MG2 3.400 . 5.200 3.306 3.203 3.494 . 0 0 "[ . 1 . 2]" 1
50 1 27 LEU MD1 1 74 ILE HB 3.400 . 5.000 3.933 3.862 3.999 . 0 0 "[ . 1 . 2]" 1
51 1 27 LEU MD2 1 31 GLN HG2 3.400 . 5.500 4.587 4.500 4.633 . 0 0 "[ . 1 . 2]" 1
52 1 27 LEU MD2 1 71 TRP HA 3.400 . 5.000 3.001 2.887 3.125 . 0 0 "[ . 1 . 2]" 1
53 1 27 LEU MD2 1 71 TRP HB3 3.400 . 5.000 3.044 2.826 3.179 . 0 0 "[ . 1 . 2]" 1
54 1 27 LEU MD2 1 71 TRP HB2 3.400 . 5.000 4.117 3.963 4.218 . 0 0 "[ . 1 . 2]" 1
55 1 27 LEU MD2 1 71 TRP HD1 3.300 . 4.800 3.577 3.458 3.667 . 0 0 "[ . 1 . 2]" 1
56 1 27 LEU MD2 1 71 TRP HE1 3.400 . 5.000 3.643 3.407 3.851 . 0 0 "[ . 1 . 2]" 1
57 1 27 LEU MD2 1 74 ILE HB 3.400 . 5.000 3.486 3.394 3.672 . 0 0 "[ . 1 . 2]" 1
58 1 27 LEU MD2 1 74 ILE MD 3.400 . 5.000 3.003 2.931 3.158 . 0 0 "[ . 1 . 2]" 1
59 1 28 TRP H 1 28 TRP HB3 3.400 . 5.000 3.381 3.288 3.585 . 0 0 "[ . 1 . 2]" 1
60 1 28 TRP H 1 28 TRP HE1 3.000 . 4.600 4.555 4.471 4.692 0.092 5 0 "[ . 1 . 2]" 1
61 1 28 TRP H 1 31 GLN HB3 3.400 . 5.000 2.564 2.424 2.673 . 0 0 "[ . 1 . 2]" 1
62 1 28 TRP H 1 31 GLN HB2 3.400 . 5.000 2.978 2.804 3.168 . 0 0 "[ . 1 . 2]" 1
63 1 28 TRP H 1 47 ILE HG12 3.100 . 4.400 4.425 4.401 4.449 0.049 9 0 "[ . 1 . 2]" 1
64 1 28 TRP H 1 47 ILE MD 3.400 . 5.200 4.350 4.323 4.364 . 0 0 "[ . 1 . 2]" 1
65 1 28 TRP H 1 47 ILE MG 3.400 . 5.000 3.156 3.050 3.305 . 0 0 "[ . 1 . 2]" 1
66 1 28 TRP HA 1 29 GLU H 2.800 . 3.800 2.399 2.368 2.432 . 0 0 "[ . 1 . 2]" 1
67 1 28 TRP HA 1 50 VAL MG1 3.400 . 5.000 3.805 3.542 3.950 . 0 0 "[ . 1 . 2]" 1
68 1 28 TRP HA 1 50 VAL MG2 3.400 . 5.000 2.252 2.159 2.381 . 0 0 "[ . 1 . 2]" 1
69 1 28 TRP HB3 1 28 TRP HD1 3.000 . 4.200 2.977 2.845 3.897 . 0 0 "[ . 1 . 2]" 1
70 1 28 TRP HB3 1 28 TRP HE3 3.200 . 4.600 3.793 2.441 3.974 . 0 0 "[ . 1 . 2]" 1
71 1 28 TRP HB3 1 28 TRP HE1 3.400 . 5.300 4.909 4.855 5.286 . 0 0 "[ . 1 . 2]" 1
72 1 28 TRP HB3 1 29 GLU H 3.100 . 4.400 3.850 3.630 3.920 . 0 0 "[ . 1 . 2]" 1
73 1 28 TRP HB2 1 28 TRP HD1 3.100 . 4.400 3.786 2.850 3.894 . 0 0 "[ . 1 . 2]" 1
74 1 28 TRP HB2 1 28 TRP HE1 3.400 . 5.200 5.231 4.857 5.275 0.075 17 0 "[ . 1 . 2]" 1
75 1 28 TRP HB2 1 29 GLU H 3.300 . 4.800 2.549 2.448 2.618 . 0 0 "[ . 1 . 2]" 1
76 1 28 TRP HD1 1 31 GLN HA 3.400 . 5.000 4.752 3.537 5.026 0.026 12 0 "[ . 1 . 2]" 1
77 1 28 TRP HE1 1 31 GLN HA 3.400 . 5.000 3.469 2.975 3.631 . 0 0 "[ . 1 . 2]" 1
78 1 28 TRP HE1 1 31 GLN HB3 3.400 . 5.000 4.178 4.023 4.278 . 0 0 "[ . 1 . 2]" 1
79 1 28 TRP HE1 1 31 GLN HB2 3.400 . 5.000 2.440 2.304 2.534 . 0 0 "[ . 1 . 2]" 1
80 1 28 TRP HE1 1 31 GLN HE21 3.400 . 5.000 4.847 4.435 5.032 0.032 7 0 "[ . 1 . 2]" 1
81 1 28 TRP HE1 1 31 GLN HE22 3.400 . 5.000 4.135 3.650 4.769 . 0 0 "[ . 1 . 2]" 1
82 1 28 TRP HE1 1 31 GLN HG3 3.400 . 5.000 4.338 4.209 4.448 . 0 0 "[ . 1 . 2]" 1
83 1 28 TRP HE1 1 32 ASP H 3.400 . 5.000 5.014 4.803 5.057 0.057 20 0 "[ . 1 . 2]" 1
84 1 29 GLU H 1 29 GLU HB3 3.400 . 5.000 3.545 3.518 3.566 . 0 0 "[ . 1 . 2]" 1
85 1 29 GLU H 1 29 GLU HG2 3.100 . 4.400 3.761 3.492 3.908 . 0 0 "[ . 1 . 2]" 1
86 1 29 GLU H 1 30 GLY H 3.400 . 5.000 4.466 4.462 4.471 . 0 0 "[ . 1 . 2]" 1
87 1 29 GLU H 1 50 VAL MG2 3.400 . 5.000 3.276 3.045 3.481 . 0 0 "[ . 1 . 2]" 1
88 1 29 GLU HA 1 29 GLU HG3 3.100 . 4.400 2.908 2.759 3.157 . 0 0 "[ . 1 . 2]" 1
89 1 29 GLU HA 1 29 GLU HG2 3.400 . 5.000 2.386 2.292 2.540 . 0 0 "[ . 1 . 2]" 1
90 1 29 GLU HA 1 30 GLY H 2.700 . 3.600 2.125 2.119 2.131 . 0 0 "[ . 1 . 2]" 1
91 1 29 GLU HA 1 31 GLN H 3.400 . 5.000 3.657 3.613 3.730 . 0 0 "[ . 1 . 2]" 1
92 1 29 GLU HA 1 47 ILE HB 3.400 . 5.000 2.913 2.776 3.045 . 0 0 "[ . 1 . 2]" 1
93 1 29 GLU HA 1 47 ILE MG 3.200 . 4.700 2.510 2.303 2.715 . 0 0 "[ . 1 . 2]" 1
94 1 29 GLU HA 1 50 VAL MG2 3.400 . 5.000 3.699 3.590 3.892 . 0 0 "[ . 1 . 2]" 1
95 1 29 GLU HB3 1 30 GLY H 3.400 . 5.000 3.578 3.561 3.608 . 0 0 "[ . 1 . 2]" 1
96 1 29 GLU HG3 1 50 VAL H 3.400 . 5.000 4.604 4.405 4.959 . 0 0 "[ . 1 . 2]" 1
97 1 29 GLU HG2 1 30 GLY H 3.400 . 5.000 4.112 4.027 4.227 . 0 0 "[ . 1 . 2]" 1
98 1 29 GLU HG2 1 47 ILE MG 3.400 . 5.000 3.391 3.083 3.617 . 0 0 "[ . 1 . 2]" 1
99 1 29 GLU HG2 1 50 VAL H 3.400 . 5.000 5.003 4.966 5.013 0.013 5 0 "[ . 1 . 2]" 1
100 1 30 GLY H 1 31 GLN H 3.200 . 4.600 2.178 2.152 2.216 . 0 0 "[ . 1 . 2]" 1
101 1 30 GLY H 1 31 GLN HA 3.400 . 5.000 4.893 4.877 4.913 . 0 0 "[ . 1 . 2]" 1
102 1 30 GLY H 1 46 THR HA 3.400 . 5.000 5.068 5.045 5.090 0.090 16 0 "[ . 1 . 2]" 1
103 1 30 GLY H 1 46 THR MG 3.400 . 5.000 3.634 3.522 3.724 . 0 0 "[ . 1 . 2]" 1
104 1 30 GLY H 1 47 ILE HB 3.300 . 4.800 2.540 2.457 2.641 . 0 0 "[ . 1 . 2]" 1
105 1 30 GLY H 1 47 ILE MG 3.400 . 5.000 3.415 3.297 3.510 . 0 0 "[ . 1 . 2]" 1
106 1 30 GLY HA2 1 31 GLN H 3.400 . 5.000 2.958 2.903 3.005 . 0 0 "[ . 1 . 2]" 1
107 1 30 GLY HA3 1 31 GLN H 3.300 . 4.800 3.491 3.479 3.511 . 0 0 "[ . 1 . 2]" 1
108 1 30 GLY HA3 1 46 THR MG 3.100 . 4.400 3.577 3.546 3.606 . 0 0 "[ . 1 . 2]" 1
109 1 31 GLN H 1 31 GLN HB3 3.000 . 4.200 2.275 2.243 2.329 . 0 0 "[ . 1 . 2]" 1
110 1 31 GLN H 1 31 GLN HB2 3.100 . 4.400 3.199 3.135 3.293 . 0 0 "[ . 1 . 2]" 1
111 1 31 GLN H 1 31 GLN HG3 3.400 . 5.000 4.210 4.103 4.325 . 0 0 "[ . 1 . 2]" 1
112 1 31 GLN H 1 32 ASP H 3.400 . 5.000 4.362 4.243 4.400 . 0 0 "[ . 1 . 2]" 1
113 1 31 GLN H 1 46 THR MG 3.400 . 5.000 2.880 2.794 2.960 . 0 0 "[ . 1 . 2]" 1
114 1 31 GLN H 1 47 ILE H 3.400 . 5.000 2.283 2.188 2.394 . 0 0 "[ . 1 . 2]" 1
115 1 31 GLN H 1 47 ILE HB 3.200 . 4.600 2.037 1.979 2.071 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLN H 1 47 ILE MD 3.400 . 5.200 4.496 4.474 4.520 . 0 0 "[ . 1 . 2]" 1
117 1 31 GLN H 1 47 ILE MG 3.400 . 5.000 3.741 3.671 3.777 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLN HA 1 31 GLN HG3 3.400 . 5.000 2.991 2.899 3.074 . 0 0 "[ . 1 . 2]" 1
119 1 31 GLN HA 1 31 GLN HG2 3.400 . 5.000 4.004 3.938 4.049 . 0 0 "[ . 1 . 2]" 1
120 1 31 GLN HA 1 32 ASP H 2.700 . 3.600 2.163 2.159 2.172 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLN HB3 1 32 ASP H 3.400 . 5.000 4.522 4.489 4.580 . 0 0 "[ . 1 . 2]" 1
122 1 31 GLN HB3 1 33 VAL MG1 3.300 . 4.800 3.405 3.236 3.576 . 0 0 "[ . 1 . 2]" 1
123 1 31 GLN HB2 1 32 ASP H 3.400 . 5.000 4.162 4.051 4.299 . 0 0 "[ . 1 . 2]" 1
124 1 31 GLN HB2 1 47 ILE H 3.400 . 5.000 4.788 4.668 4.886 . 0 0 "[ . 1 . 2]" 1
125 1 31 GLN HE21 1 31 GLN HG3 3.400 . 5.000 2.966 2.194 3.094 . 0 0 "[ . 1 . 2]" 1
126 1 31 GLN HG3 1 32 ASP H 3.400 . 5.000 3.156 3.101 3.360 . 0 0 "[ . 1 . 2]" 1
127 1 31 GLN HG3 1 33 VAL MG1 3.400 . 5.000 2.261 2.166 2.441 . 0 0 "[ . 1 . 2]" 1
128 1 31 GLN HE21 1 31 GLN HG2 3.400 . 5.000 2.186 2.099 2.968 . 0 0 "[ . 1 . 2]" 1
129 1 31 GLN HE22 1 31 GLN HG2 3.400 . 5.000 3.451 3.413 3.791 . 0 0 "[ . 1 . 2]" 1
130 1 31 GLN HG2 1 32 ASP H 3.400 . 5.000 4.761 4.687 4.840 . 0 0 "[ . 1 . 2]" 1
131 1 31 GLN HG2 1 33 VAL MG1 3.400 . 5.000 2.177 2.093 2.330 . 0 0 "[ . 1 . 2]" 1
132 1 31 GLN HE21 1 33 VAL MG1 3.400 . 5.000 2.838 2.394 3.234 . 0 0 "[ . 1 . 2]" 1
133 1 31 GLN HE21 1 76 PRO HB2 3.400 . 5.000 4.976 4.016 5.044 0.044 10 0 "[ . 1 . 2]" 1
134 1 31 GLN HE22 1 76 PRO HB2 3.400 . 5.000 4.507 4.218 4.786 . 0 0 "[ . 1 . 2]" 1
135 1 31 GLN HE22 1 76 PRO HG3 3.400 . 5.000 3.043 2.409 3.476 . 0 0 "[ . 1 . 2]" 1
136 1 32 ASP H 1 32 ASP HB3 3.300 . 4.800 3.624 3.606 3.640 . 0 0 "[ . 1 . 2]" 1
137 1 32 ASP H 1 32 ASP HB2 3.000 . 4.200 2.436 2.383 2.486 . 0 0 "[ . 1 . 2]" 1
138 1 32 ASP H 1 33 VAL H 3.400 . 5.000 4.348 4.329 4.363 . 0 0 "[ . 1 . 2]" 1
139 1 32 ASP HA 1 33 VAL H 2.800 . 3.800 2.084 2.066 2.094 . 0 0 "[ . 1 . 2]" 1
140 1 32 ASP HA 1 33 VAL MG1 3.400 . 5.000 3.906 3.859 3.935 . 0 0 "[ . 1 . 2]" 1
141 1 32 ASP HA 1 33 VAL MG2 3.400 . 5.000 3.672 3.654 3.711 . 0 0 "[ . 1 . 2]" 1
142 1 32 ASP HA 1 44 LEU MD1 3.400 . 5.000 4.040 4.016 4.065 . 0 0 "[ . 1 . 2]" 1
143 1 32 ASP HA 1 45 GLY H 3.400 . 5.000 4.273 4.132 4.489 . 0 0 "[ . 1 . 2]" 1
144 1 32 ASP HA 1 46 THR MG 3.400 . 5.000 2.437 2.309 2.503 . 0 0 "[ . 1 . 2]" 1
145 1 32 ASP HA 1 47 ILE H 3.400 . 5.000 3.986 3.902 4.076 . 0 0 "[ . 1 . 2]" 1
146 1 32 ASP HB3 1 33 VAL H 3.400 . 5.000 3.619 3.580 3.646 . 0 0 "[ . 1 . 2]" 1
147 1 32 ASP HB3 1 44 LEU MD1 3.400 . 5.000 2.678 2.618 2.735 . 0 0 "[ . 1 . 2]" 1
148 1 32 ASP HB3 1 45 GLY H 3.400 . 5.000 4.693 4.534 4.974 . 0 0 "[ . 1 . 2]" 1
149 1 32 ASP HB3 1 77 ALA H 3.400 . 5.000 4.134 4.027 4.230 . 0 0 "[ . 1 . 2]" 1
150 1 32 ASP HB3 1 77 ALA MB 3.200 . 4.600 2.329 2.249 2.564 . 0 0 "[ . 1 . 2]" 1
151 1 32 ASP HB2 1 33 VAL H 3.400 . 5.000 4.393 4.355 4.420 . 0 0 "[ . 1 . 2]" 1
152 1 32 ASP HB2 1 44 LEU MD1 3.400 . 5.000 4.122 4.089 4.164 . 0 0 "[ . 1 . 2]" 1
153 1 32 ASP HB2 1 46 THR MG 3.400 . 5.000 4.072 4.016 4.125 . 0 0 "[ . 1 . 2]" 1
154 1 32 ASP HB2 1 77 ALA MB 3.300 . 4.800 2.648 2.416 3.096 . 0 0 "[ . 1 . 2]" 1
155 1 33 VAL H 1 33 VAL HB 3.400 . 5.000 3.698 3.687 3.710 . 0 0 "[ . 1 . 2]" 1
156 1 33 VAL H 1 33 VAL MG1 3.400 . 5.000 2.881 2.839 2.907 . 0 0 "[ . 1 . 2]" 1
157 1 33 VAL H 1 33 VAL MG2 2.900 . 4.000 2.167 2.145 2.188 . 0 0 "[ . 1 . 2]" 1
158 1 33 VAL H 1 44 LEU MD1 3.400 . 5.000 3.835 3.762 3.912 . 0 0 "[ . 1 . 2]" 1
159 1 33 VAL H 1 46 THR H 3.400 . 5.000 4.461 4.330 4.687 . 0 0 "[ . 1 . 2]" 1
160 1 33 VAL H 1 46 THR HA 3.400 . 5.000 2.878 2.794 2.925 . 0 0 "[ . 1 . 2]" 1
161 1 33 VAL H 1 46 THR MG 3.400 . 5.000 3.968 3.876 4.014 . 0 0 "[ . 1 . 2]" 1
162 1 33 VAL H 1 47 ILE HG13 3.400 . 5.500 5.607 5.565 5.633 0.133 12 0 "[ . 1 . 2]" 1
163 1 33 VAL H 1 59 VAL MG2 3.400 . 5.300 3.965 3.861 4.076 . 0 0 "[ . 1 . 2]" 1
164 1 33 VAL H 1 77 ALA H 3.400 . 5.000 4.485 4.353 4.538 . 0 0 "[ . 1 . 2]" 1
165 1 33 VAL H 1 77 ALA MB 3.400 . 5.000 4.022 3.924 4.078 . 0 0 "[ . 1 . 2]" 1
166 1 33 VAL HA 1 33 VAL MG1 3.300 . 4.800 2.287 2.250 2.319 . 0 0 "[ . 1 . 2]" 1
167 1 33 VAL HA 1 33 VAL MG2 3.400 . 5.000 3.238 3.234 3.246 . 0 0 "[ . 1 . 2]" 1
168 1 33 VAL HA 1 77 ALA H 2.900 . 4.000 2.542 2.480 2.579 . 0 0 "[ . 1 . 2]" 1
169 1 33 VAL HA 1 77 ALA MB 3.400 . 5.000 3.401 3.286 3.535 . 0 0 "[ . 1 . 2]" 1
170 1 33 VAL HB 1 34 LEU H 2.800 . 3.800 2.286 2.209 2.393 . 0 0 "[ . 1 . 2]" 1
171 1 33 VAL HB 1 47 ILE MD 3.400 . 5.000 3.599 3.568 3.616 . 0 0 "[ . 1 . 2]" 1
172 1 33 VAL HB 1 74 ILE MG 3.100 . 4.400 1.935 1.905 1.957 . 0 0 "[ . 1 . 2]" 1
173 1 33 VAL HB 1 75 SER H 3.400 . 5.000 3.561 3.474 3.641 . 0 0 "[ . 1 . 2]" 1
174 1 33 VAL HB 1 76 PRO HA 3.400 . 5.000 4.273 4.162 4.368 . 0 0 "[ . 1 . 2]" 1
175 1 33 VAL HB 1 77 ALA H 3.400 . 5.000 5.000 4.919 5.033 0.033 20 0 "[ . 1 . 2]" 1
176 1 33 VAL MG1 1 34 LEU H 3.400 . 5.000 3.426 3.379 3.500 . 0 0 "[ . 1 . 2]" 1
177 1 33 VAL MG1 1 47 ILE HG13 3.100 . 4.400 2.669 2.623 2.721 . 0 0 "[ . 1 . 2]" 1
178 1 33 VAL MG1 1 76 PRO HA 3.000 . 4.600 2.902 2.826 2.966 . 0 0 "[ . 1 . 2]" 1
179 1 33 VAL MG1 1 76 PRO HG3 3.000 . 4.600 3.579 3.546 3.605 . 0 0 "[ . 1 . 2]" 1
180 1 33 VAL MG1 1 77 ALA H 3.400 . 5.000 3.937 3.862 4.000 . 0 0 "[ . 1 . 2]" 1
181 1 33 VAL MG2 1 34 LEU H 3.400 . 5.000 3.548 3.490 3.597 . 0 0 "[ . 1 . 2]" 1
182 1 33 VAL MG2 1 35 ALA H 3.400 . 5.000 3.737 3.681 3.786 . 0 0 "[ . 1 . 2]" 1
183 1 33 VAL MG2 1 35 ALA MB 3.400 . 5.000 3.193 3.163 3.210 . 0 0 "[ . 1 . 2]" 1
184 1 33 VAL MG2 1 45 GLY H 3.300 . 4.800 2.993 2.897 3.118 . 0 0 "[ . 1 . 2]" 1
185 1 33 VAL MG2 1 45 GLY HA3 3.400 . 5.000 3.036 2.913 3.279 . 0 0 "[ . 1 . 2]" 1
186 1 33 VAL MG2 1 45 GLY HA2 3.400 . 5.000 4.178 4.144 4.252 . 0 0 "[ . 1 . 2]" 1
187 1 33 VAL MG2 1 46 THR HA 3.400 . 5.000 3.084 2.987 3.146 . 0 0 "[ . 1 . 2]" 1
188 1 33 VAL MG2 1 47 ILE H 3.400 . 5.000 3.362 3.200 3.617 . 0 0 "[ . 1 . 2]" 1
189 1 33 VAL MG2 1 47 ILE HG13 3.400 . 5.000 3.850 3.801 3.913 . 0 0 "[ . 1 . 2]" 1
190 1 33 VAL MG2 1 59 VAL HA 3.400 . 5.000 4.246 4.220 4.280 . 0 0 "[ . 1 . 2]" 1
191 1 33 VAL MG2 1 59 VAL MG2 3.300 . 4.800 2.056 2.018 2.113 . 0 0 "[ . 1 . 2]" 1
192 1 34 LEU H 1 34 LEU HB3 3.400 . 5.000 3.702 3.691 3.719 . 0 0 "[ . 1 . 2]" 1
193 1 34 LEU H 1 34 LEU HB2 3.200 . 4.600 2.527 2.503 2.555 . 0 0 "[ . 1 . 2]" 1
194 1 34 LEU H 1 34 LEU HG 3.400 . 5.000 3.098 3.037 3.150 . 0 0 "[ . 1 . 2]" 1
195 1 34 LEU H 1 34 LEU MD1 3.300 . 4.800 3.927 3.841 4.018 . 0 0 "[ . 1 . 2]" 1
196 1 34 LEU H 1 34 LEU MD2 3.400 . 5.000 4.066 3.994 4.137 . 0 0 "[ . 1 . 2]" 1
197 1 34 LEU H 1 35 ALA H 3.400 . 5.000 3.951 3.920 3.974 . 0 0 "[ . 1 . 2]" 1
198 1 34 LEU H 1 74 ILE MG 3.400 . 5.000 2.457 2.378 2.552 . 0 0 "[ . 1 . 2]" 1
199 1 34 LEU H 1 75 SER HB3 3.400 . 5.000 3.973 3.830 4.066 . 0 0 "[ . 1 . 2]" 1
200 1 34 LEU H 1 76 PRO HA 3.400 . 5.000 3.713 3.576 3.781 . 0 0 "[ . 1 . 2]" 1
201 1 34 LEU H 1 77 ALA H 3.400 . 5.000 4.061 3.882 4.163 . 0 0 "[ . 1 . 2]" 1
202 1 34 LEU HA 1 34 LEU MD1 3.400 . 5.000 3.881 3.865 3.901 . 0 0 "[ . 1 . 2]" 1
203 1 34 LEU HA 1 34 LEU MD2 3.000 . 4.200 2.258 2.169 2.316 . 0 0 "[ . 1 . 2]" 1
204 1 34 LEU HA 1 35 ALA H 2.800 . 3.800 2.087 2.074 2.103 . 0 0 "[ . 1 . 2]" 1
205 1 34 LEU HA 1 42 LEU MD1 3.000 . 4.200 3.352 3.308 3.414 . 0 0 "[ . 1 . 2]" 1
206 1 34 LEU HB3 1 34 LEU MD1 3.400 . 5.000 2.430 2.402 2.490 . 0 0 "[ . 1 . 2]" 1
207 1 34 LEU HB3 1 34 LEU MD2 3.400 . 5.000 2.183 2.164 2.233 . 0 0 "[ . 1 . 2]" 1
208 1 34 LEU HB3 1 35 ALA H 3.400 . 5.000 3.805 3.768 3.818 . 0 0 "[ . 1 . 2]" 1
209 1 34 LEU HB3 1 44 LEU HA 3.400 . 5.000 4.773 4.636 4.844 . 0 0 "[ . 1 . 2]" 1
210 1 34 LEU HB3 1 75 SER HB3 3.400 . 5.000 3.290 3.236 3.327 . 0 0 "[ . 1 . 2]" 1
211 1 34 LEU HB2 1 34 LEU MD2 3.400 . 5.000 3.162 3.157 3.169 . 0 0 "[ . 1 . 2]" 1
212 1 34 LEU HB2 1 35 ALA H 3.400 . 5.000 4.428 4.411 4.438 . 0 0 "[ . 1 . 2]" 1
213 1 34 LEU HB2 1 42 LEU MD1 3.400 . 5.000 3.151 3.001 3.232 . 0 0 "[ . 1 . 2]" 1
214 1 34 LEU HB2 1 75 SER H 3.400 . 5.000 2.544 2.455 2.672 . 0 0 "[ . 1 . 2]" 1
215 1 34 LEU HB2 1 75 SER HB3 3.400 . 5.000 2.038 1.935 2.078 . 0 0 "[ . 1 . 2]" 1
216 1 34 LEU HB2 1 75 SER HB2 3.400 . 5.000 2.630 2.537 2.891 . 0 0 "[ . 1 . 2]" 1
217 1 34 LEU HB2 1 77 ALA HA 3.400 . 5.000 5.037 5.015 5.064 0.064 11 0 "[ . 1 . 2]" 1
218 1 34 LEU HG 1 42 LEU MD2 3.400 . 5.000 3.839 3.660 3.943 . 0 0 "[ . 1 . 2]" 1
219 1 34 LEU HG 1 77 ALA HA 3.400 . 5.000 3.347 3.300 3.378 . 0 0 "[ . 1 . 2]" 1
220 1 34 LEU MD1 2 9 HIS HB3 3.400 . 5.000 2.857 2.263 3.916 . 0 0 "[ . 1 . 2]" 1
221 1 34 LEU MD1 2 9 HIS HD2 3.400 . 5.000 3.045 2.154 4.118 . 0 0 "[ . 1 . 2]" 1
222 1 34 LEU MD1 1 77 ALA H 3.400 . 5.000 3.959 3.894 4.030 . 0 0 "[ . 1 . 2]" 1
223 1 34 LEU MD1 1 77 ALA HA 3.400 . 5.000 2.594 2.459 2.678 . 0 0 "[ . 1 . 2]" 1
224 1 34 LEU MD1 2 8 PRO HB3 3.400 . 5.200 4.188 3.596 4.288 . 0 0 "[ . 1 . 2]" 1
225 1 34 LEU MD2 2 8 PRO HB3 3.400 . 4.800 2.069 1.952 2.136 . 0 0 "[ . 1 . 2]" 1
226 1 34 LEU MD2 2 9 HIS HB3 3.200 . 4.800 3.052 2.410 3.894 . 0 0 "[ . 1 . 2]" 1
227 1 34 LEU MD2 2 9 HIS HD2 3.400 . 5.000 4.063 3.692 4.148 . 0 0 "[ . 1 . 2]" 1
228 1 34 LEU MD2 1 35 ALA H 3.400 . 5.000 3.748 3.680 3.818 . 0 0 "[ . 1 . 2]" 1
229 1 34 LEU MD2 1 42 LEU HB3 3.400 . 5.000 3.997 3.773 4.068 . 0 0 "[ . 1 . 2]" 1
230 1 34 LEU MD2 1 42 LEU HB2 3.400 . 5.600 4.578 4.544 4.626 . 0 0 "[ . 1 . 2]" 1
231 1 34 LEU MD2 1 43 TYR H 3.000 . 4.600 3.640 3.590 3.672 . 0 0 "[ . 1 . 2]" 1
232 1 34 LEU MD2 1 44 LEU H 3.400 . 5.000 4.132 4.010 4.161 . 0 0 "[ . 1 . 2]" 1
233 1 34 LEU MD2 1 44 LEU HA 3.200 . 4.600 2.557 2.510 2.601 . 0 0 "[ . 1 . 2]" 1
234 1 34 LEU MD2 1 44 LEU HB3 3.400 . 5.000 4.129 4.066 4.162 . 0 0 "[ . 1 . 2]" 1
235 1 34 LEU MD2 1 45 GLY H 3.000 . 4.800 3.889 3.856 3.949 . 0 0 "[ . 1 . 2]" 1
236 1 34 LEU MD2 1 75 SER HB3 3.400 . 5.000 4.352 4.328 4.421 . 0 0 "[ . 1 . 2]" 1
237 1 34 LEU MD2 1 77 ALA HA 3.400 . 5.000 4.143 4.120 4.162 . 0 0 "[ . 1 . 2]" 1
238 1 35 ALA H 1 35 ALA MB 3.000 . 4.200 2.214 2.174 2.258 . 0 0 "[ . 1 . 2]" 1
239 1 35 ALA H 1 36 ARG H 3.400 . 5.000 4.257 4.183 4.294 . 0 0 "[ . 1 . 2]" 1
240 1 35 ALA H 1 42 LEU HG 3.400 . 5.000 4.110 4.004 4.208 . 0 0 "[ . 1 . 2]" 1
241 1 35 ALA H 1 42 LEU MD1 3.400 . 5.000 3.453 3.291 3.586 . 0 0 "[ . 1 . 2]" 1
242 1 35 ALA H 1 43 TYR H 3.200 . 4.600 3.368 3.236 3.499 . 0 0 "[ . 1 . 2]" 1
243 1 35 ALA H 1 44 LEU HA 3.400 . 5.000 3.585 3.502 3.728 . 0 0 "[ . 1 . 2]" 1
244 1 35 ALA H 1 61 PHE HE2 3.400 . 5.000 3.120 2.836 3.465 . 0 0 "[ . 1 . 2]" 1
245 1 35 ALA HA 1 36 ARG H 3.100 . 4.400 2.147 2.128 2.169 . 0 0 "[ . 1 . 2]" 1
246 1 35 ALA HA 1 36 ARG HB3 3.400 . 5.000 5.109 5.076 5.150 0.150 20 0 "[ . 1 . 2]" 1
247 1 35 ALA HA 1 43 TYR H 3.400 . 5.000 4.832 4.730 4.907 . 0 0 "[ . 1 . 2]" 1
248 1 35 ALA HA 1 69 VAL MG1 3.400 . 5.000 2.367 2.275 2.494 . 0 0 "[ . 1 . 2]" 1
249 1 35 ALA HA 1 74 ILE HA 3.400 . 5.000 2.717 2.651 2.793 . 0 0 "[ . 1 . 2]" 1
250 1 35 ALA HA 1 74 ILE HG13 3.400 . 5.000 3.568 3.517 3.647 . 0 0 "[ . 1 . 2]" 1
251 1 35 ALA HA 1 74 ILE HG12 3.200 . 4.800 3.206 3.168 3.231 . 0 0 "[ . 1 . 2]" 1
252 1 35 ALA HA 1 74 ILE MD 3.400 . 5.300 4.579 4.551 4.598 . 0 0 "[ . 1 . 2]" 1
253 1 35 ALA HA 1 74 ILE MG 3.400 . 5.000 4.106 4.083 4.123 . 0 0 "[ . 1 . 2]" 1
254 1 35 ALA HA 1 75 SER H 3.400 . 5.000 4.051 3.952 4.148 . 0 0 "[ . 1 . 2]" 1
255 1 35 ALA MB 1 36 ARG H 3.400 . 5.000 3.434 3.391 3.475 . 0 0 "[ . 1 . 2]" 1
256 1 35 ALA MB 1 43 TYR H 3.400 . 5.000 3.966 3.871 4.044 . 0 0 "[ . 1 . 2]" 1
257 1 35 ALA MB 1 59 VAL MG1 3.300 . 4.800 3.061 3.017 3.104 . 0 0 "[ . 1 . 2]" 1
258 1 35 ALA MB 1 59 VAL MG2 3.400 . 5.000 3.110 3.021 3.189 . 0 0 "[ . 1 . 2]" 1
259 1 35 ALA MB 1 61 PHE HD2 3.400 . 5.000 4.090 4.069 4.117 . 0 0 "[ . 1 . 2]" 1
260 1 35 ALA MB 1 61 PHE HE2 2.900 . 4.000 2.041 2.022 2.074 . 0 0 "[ . 1 . 2]" 1
261 1 35 ALA MB 1 61 PHE HZ 3.000 . 4.200 2.192 2.050 2.766 . 0 0 "[ . 1 . 2]" 1
262 1 36 ARG H 1 36 ARG HB3 3.400 . 5.000 3.016 2.974 3.082 . 0 0 "[ . 1 . 2]" 1
263 1 36 ARG H 1 36 ARG HB2 3.400 . 5.000 2.094 2.037 2.135 . 0 0 "[ . 1 . 2]" 1
264 1 36 ARG H 1 42 LEU MD1 3.400 . 5.000 3.283 3.081 3.357 . 0 0 "[ . 1 . 2]" 1
265 1 36 ARG H 1 69 VAL MG1 3.400 . 5.000 3.341 3.266 3.447 . 0 0 "[ . 1 . 2]" 1
266 1 36 ARG H 1 73 ASP HB3 3.400 . 5.000 2.915 2.764 3.107 . 0 0 "[ . 1 . 2]" 1
267 1 36 ARG H 1 73 ASP HB2 3.400 . 5.000 4.608 4.470 4.780 . 0 0 "[ . 1 . 2]" 1
268 1 36 ARG HA 1 37 TRP H 3.000 . 4.200 2.160 2.137 2.200 . 0 0 "[ . 1 . 2]" 1
269 1 36 ARG HA 1 42 LEU HB3 3.400 . 5.000 5.126 5.050 5.159 0.159 13 0 "[ . 1 . 2]" 1
270 1 36 ARG HA 1 42 LEU MD1 3.400 . 5.000 2.413 2.263 2.501 . 0 0 "[ . 1 . 2]" 1
271 1 36 ARG HA 1 43 TYR H 3.400 . 5.000 3.332 3.227 3.427 . 0 0 "[ . 1 . 2]" 1
272 1 36 ARG HB3 1 37 TRP H 3.400 . 5.000 3.796 3.687 3.872 . 0 0 "[ . 1 . 2]" 1
273 1 36 ARG HB3 1 42 LEU HA 3.400 . 5.000 5.090 5.061 5.128 0.128 1 0 "[ . 1 . 2]" 1
274 1 36 ARG HB3 1 42 LEU MD1 3.400 . 5.200 4.222 4.076 4.286 . 0 0 "[ . 1 . 2]" 1
275 1 36 ARG HB3 1 73 ASP HB2 3.400 . 5.000 4.928 4.761 5.045 0.045 20 0 "[ . 1 . 2]" 1
276 1 36 ARG HB2 1 42 LEU MD1 3.400 . 5.000 3.269 3.115 3.374 . 0 0 "[ . 1 . 2]" 1
277 1 36 ARG HB2 1 73 ASP HA 3.400 . 5.000 3.434 3.316 3.529 . 0 0 "[ . 1 . 2]" 1
278 1 36 ARG HB2 1 73 ASP HB2 3.400 . 5.000 5.056 5.018 5.089 0.089 1 0 "[ . 1 . 2]" 1
279 1 36 ARG HG3 1 37 TRP H 3.400 . 5.000 3.929 3.009 4.927 . 0 0 "[ . 1 . 2]" 1
280 1 36 ARG HG2 1 37 TRP H 3.400 . 4.700 3.507 3.020 4.354 . 0 0 "[ . 1 . 2]" 1
281 1 36 ARG HG2 1 42 LEU MD1 3.400 . 5.000 3.323 2.158 4.042 . 0 0 "[ . 1 . 2]" 1
282 1 36 ARG HD3 1 42 LEU MD1 3.400 . 5.000 3.886 2.092 4.176 . 0 0 "[ . 1 . 2]" 1
283 1 37 TRP H 1 37 TRP HB3 3.400 . 5.000 2.618 2.486 2.877 . 0 0 "[ . 1 . 2]" 1
284 1 37 TRP H 1 37 TRP HB2 3.400 . 5.000 2.674 2.613 2.746 . 0 0 "[ . 1 . 2]" 1
285 1 37 TRP H 1 39 ASP H 3.400 . 5.000 4.694 4.469 4.827 . 0 0 "[ . 1 . 2]" 1
286 1 37 TRP H 1 40 GLY H 3.600 . 5.200 4.562 4.371 4.762 . 0 0 "[ . 1 . 2]" 1
287 1 37 TRP H 1 42 LEU HA 3.400 . 5.000 2.801 2.578 2.997 . 0 0 "[ . 1 . 2]" 1
288 1 37 TRP H 1 42 LEU MD1 3.400 . 5.000 3.975 3.844 4.048 . 0 0 "[ . 1 . 2]" 1
289 1 37 TRP HA 1 37 TRP HE3 3.400 . 5.000 3.939 2.257 5.185 0.185 5 0 "[ . 1 . 2]" 1
290 1 37 TRP HA 1 38 THR H 3.400 . 5.000 2.343 2.252 2.407 . 0 0 "[ . 1 . 2]" 1
291 1 37 TRP HA 1 39 ASP H 3.000 . 4.600 4.095 4.011 4.169 . 0 0 "[ . 1 . 2]" 1
292 1 37 TRP HB3 1 37 TRP HE3 3.300 . 4.800 3.257 2.438 4.270 . 0 0 "[ . 1 . 2]" 1
293 1 37 TRP HB3 1 43 TYR HD1 3.200 . 4.600 4.746 4.714 4.799 0.199 1 0 "[ . 1 . 2]" 1
294 1 37 TRP HB3 1 39 ASP H 3.400 . 5.300 2.967 2.671 3.266 . 0 0 "[ . 1 . 2]" 1
295 1 37 TRP HB2 1 39 ASP H 3.400 . 4.800 4.363 4.243 4.417 . 0 0 "[ . 1 . 2]" 1
296 1 37 TRP HD1 1 38 THR MG 3.200 . 4.800 3.584 2.685 3.995 . 0 0 "[ . 1 . 2]" 1
297 1 37 TRP HD1 1 39 ASP H 3.200 . 4.500 3.399 2.187 4.467 . 0 0 "[ . 1 . 2]" 1
298 1 37 TRP HB2 1 43 TYR HD1 3.000 . 4.600 4.089 3.894 4.377 . 0 0 "[ . 1 . 2]" 1
299 1 38 THR H 1 38 THR MG 3.400 . 5.000 2.249 1.922 2.581 . 0 0 "[ . 1 . 2]" 1
300 1 38 THR H 1 39 ASP H 3.400 . 5.000 2.781 2.718 2.954 . 0 0 "[ . 1 . 2]" 1
301 1 38 THR HA 1 40 GLY H 3.000 . 4.600 3.590 3.383 3.795 . 0 0 "[ . 1 . 2]" 1
302 1 38 THR HA 1 38 THR MG 3.200 . 4.600 2.801 2.241 3.244 . 0 0 "[ . 1 . 2]" 1
303 1 38 THR HA 1 39 ASP H 3.400 . 4.800 3.331 3.060 3.388 . 0 0 "[ . 1 . 2]" 1
304 1 38 THR MG 1 39 ASP H 3.400 . 5.200 3.654 2.914 4.367 . 0 0 "[ . 1 . 2]" 1
305 1 39 ASP H 1 39 ASP HB3 3.400 . 5.000 3.235 2.788 3.645 . 0 0 "[ . 1 . 2]" 1
306 1 39 ASP H 1 39 ASP HB2 3.200 . 4.600 2.520 2.194 3.688 . 0 0 "[ . 1 . 2]" 1
307 1 39 ASP H 1 40 GLY H 3.000 . 4.200 2.352 1.952 2.467 . 0 0 "[ . 1 . 2]" 1
308 1 39 ASP H 1 40 GLY HA3 3.400 . 5.000 5.015 4.715 5.102 0.102 13 0 "[ . 1 . 2]" 1
309 1 39 ASP H 1 41 LEU H 3.000 . 4.600 3.488 3.350 3.625 . 0 0 "[ . 1 . 2]" 1
310 1 39 ASP HA 1 40 GLY H 3.400 . 5.000 3.303 3.228 3.383 . 0 0 "[ . 1 . 2]" 1
311 1 39 ASP HB3 1 41 LEU H 3.400 . 5.100 3.468 2.928 4.571 . 0 0 "[ . 1 . 2]" 1
312 1 39 ASP HB2 1 41 LEU H 3.200 . 4.800 3.683 3.011 4.355 . 0 0 "[ . 1 . 2]" 1
313 1 40 GLY H 1 40 GLY HA2 3.000 . 4.200 2.399 2.349 2.464 . 0 0 "[ . 1 . 2]" 1
314 1 40 GLY HA2 1 41 LEU H 3.400 . 5.000 3.403 3.347 3.427 . 0 0 "[ . 1 . 2]" 1
315 1 40 GLY HA3 1 41 LEU H 3.400 . 5.000 3.143 3.104 3.222 . 0 0 "[ . 1 . 2]" 1
316 1 41 LEU H 1 41 LEU HB3 3.400 . 5.000 3.579 3.429 3.642 . 0 0 "[ . 1 . 2]" 1
317 1 41 LEU H 1 41 LEU HB2 3.200 . 4.600 2.335 2.202 2.439 . 0 0 "[ . 1 . 2]" 1
318 1 41 LEU H 1 41 LEU MD1 3.400 . 5.000 3.098 2.793 4.223 . 0 0 "[ . 1 . 2]" 1
319 1 41 LEU H 1 41 LEU MD2 3.400 . 5.000 4.097 2.586 4.278 . 0 0 "[ . 1 . 2]" 1
320 1 41 LEU HA 1 41 LEU MD1 3.100 . 4.400 3.605 2.221 3.791 . 0 0 "[ . 1 . 2]" 1
321 1 41 LEU HA 1 41 LEU MD2 2.700 . 3.600 2.709 2.552 2.849 . 0 0 "[ . 1 . 2]" 1
322 1 41 LEU HA 1 42 LEU H 3.000 . 4.200 2.240 2.188 2.279 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU HB3 1 41 LEU MD1 3.300 . 4.800 2.749 2.268 2.864 . 0 0 "[ . 1 . 2]" 1
324 1 41 LEU HB3 1 42 LEU H 3.000 . 4.200 2.791 2.678 2.984 . 0 0 "[ . 1 . 2]" 1
325 1 41 LEU HB3 1 42 LEU HA 3.400 . 5.000 4.677 4.520 4.761 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU HB3 1 43 TYR HD1 3.400 . 5.000 4.141 3.754 4.468 . 0 0 "[ . 1 . 2]" 1
327 1 41 LEU HB2 1 41 LEU MD1 3.300 . 4.800 2.246 2.127 3.208 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU HB2 1 42 LEU H 3.400 . 5.000 3.991 3.869 4.125 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU HB2 1 43 TYR HD1 3.400 . 5.000 4.793 4.596 5.036 0.036 6 0 "[ . 1 . 2]" 1
330 1 41 LEU MD2 1 42 LEU H 3.400 . 5.000 3.421 3.142 4.185 . 0 0 "[ . 1 . 2]" 1
331 1 42 LEU H 1 42 LEU HB3 3.400 . 5.000 2.477 2.382 2.598 . 0 0 "[ . 1 . 2]" 1
332 1 42 LEU H 1 42 LEU HB2 3.200 . 4.600 2.570 2.509 2.611 . 0 0 "[ . 1 . 2]" 1
333 1 42 LEU H 1 42 LEU HG 3.200 . 4.600 4.481 4.420 4.568 . 0 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 42 LEU MD1 3.400 . 5.000 4.097 4.052 4.158 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 43 TYR H 3.400 . 5.000 4.584 4.569 4.595 . 0 0 "[ . 1 . 2]" 1
336 1 42 LEU H 2 11 TYR H 3.400 . 5.200 4.690 3.347 5.261 0.061 5 0 "[ . 1 . 2]" 1
337 1 42 LEU HA 1 42 LEU HG 3.400 . 5.000 3.058 2.964 3.167 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU HA 1 42 LEU MD1 3.000 . 4.200 2.252 2.097 2.468 . 0 0 "[ . 1 . 2]" 1
339 1 42 LEU HA 1 43 TYR H 3.000 . 4.200 2.409 2.362 2.450 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU HA 1 43 TYR HD1 3.400 . 5.000 4.379 4.146 4.695 . 0 0 "[ . 1 . 2]" 1
341 1 42 LEU HB3 2 9 HIS HB3 3.400 . 5.000 4.620 4.409 4.849 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU HB3 1 42 LEU MD1 3.400 . 5.000 3.185 3.163 3.211 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU HB3 1 42 LEU MD2 3.400 . 5.000 2.243 2.153 2.367 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU HB3 1 43 TYR H 3.400 . 5.000 3.558 3.462 3.616 . 0 0 "[ . 1 . 2]" 1
345 1 42 LEU HB2 2 9 HIS HB3 3.300 . 4.800 4.940 4.779 5.012 0.212 4 0 "[ . 1 . 2]" 1
346 1 42 LEU HB2 1 42 LEU MD1 3.400 . 5.000 2.271 2.164 2.415 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU HB2 1 42 LEU MD2 3.400 . 5.000 2.302 2.200 2.425 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU HB2 1 43 TYR H 3.400 . 5.000 3.902 3.832 3.980 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU HG 1 43 TYR H 3.400 . 5.000 1.988 1.789 2.209 0.011 5 0 "[ . 1 . 2]" 1
350 1 42 LEU MD1 2 9 HIS HD2 3.200 . 5.000 3.441 2.995 4.159 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU MD1 1 43 TYR H 3.400 . 5.000 2.421 2.309 2.556 . 0 0 "[ . 1 . 2]" 1
352 1 42 LEU MD1 1 75 SER HB3 3.400 . 5.000 3.856 3.615 3.973 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU MD2 2 8 PRO HB3 2.900 . 5.100 2.278 2.159 2.357 . 0 0 "[ . 1 . 2]" 1
354 1 42 LEU MD2 2 8 PRO HG3 2.900 . 5.200 4.218 4.157 4.257 . 0 0 "[ . 1 . 2]" 1
355 1 42 LEU MD2 2 9 HIS HB2 3.200 . 5.000 3.212 1.908 3.754 . 0 0 "[ . 1 . 2]" 1
356 1 42 LEU MD2 2 9 HIS HD2 3.200 . 4.600 2.247 1.940 3.035 . 0 0 "[ . 1 . 2]" 1
357 1 42 LEU MD2 2 11 TYR H 3.400 . 5.200 3.959 3.294 4.262 . 0 0 "[ . 1 . 2]" 1
358 1 42 LEU MD2 1 43 TYR H 3.400 . 5.000 3.706 3.543 3.866 . 0 0 "[ . 1 . 2]" 1
359 1 43 TYR H 1 43 TYR HB3 3.400 . 5.000 3.771 3.728 3.802 . 0 0 "[ . 1 . 2]" 1
360 1 43 TYR H 1 43 TYR HB2 3.400 . 5.000 2.682 2.622 2.709 . 0 0 "[ . 1 . 2]" 1
361 1 43 TYR H 1 43 TYR HD1 3.300 . 4.800 3.852 3.703 4.054 . 0 0 "[ . 1 . 2]" 1
362 1 43 TYR H 1 61 PHE HE2 3.400 . 5.000 4.667 4.501 5.030 0.030 10 0 "[ . 1 . 2]" 1
363 1 43 TYR HA 1 43 TYR HD1 3.300 . 4.800 2.148 2.070 2.211 . 0 0 "[ . 1 . 2]" 1
364 1 43 TYR HA 1 44 LEU H 3.000 . 4.200 2.199 2.176 2.239 . 0 0 "[ . 1 . 2]" 1
365 1 43 TYR HB3 1 43 TYR HD1 3.100 . 4.400 3.476 3.420 3.533 . 0 0 "[ . 1 . 2]" 1
366 1 43 TYR HB3 1 44 LEU H 3.400 . 5.000 3.234 3.105 3.329 . 0 0 "[ . 1 . 2]" 1
367 1 43 TYR HB3 1 61 PHE HD2 3.300 . 4.400 2.341 2.211 2.434 . 0 0 "[ . 1 . 2]" 1
368 1 43 TYR HB3 1 61 PHE HE2 3.200 . 4.100 2.224 2.153 2.268 . 0 0 "[ . 1 . 2]" 1
369 1 43 TYR HB2 1 43 TYR HD1 3.100 . 4.400 3.570 3.511 3.626 . 0 0 "[ . 1 . 2]" 1
370 1 43 TYR HB2 1 44 LEU H 3.400 . 4.700 4.269 4.175 4.334 . 0 0 "[ . 1 . 2]" 1
371 1 43 TYR HB2 1 61 PHE HD2 3.300 . 4.700 3.912 3.750 4.048 . 0 0 "[ . 1 . 2]" 1
372 1 43 TYR HB2 1 61 PHE HE2 3.300 . 4.700 2.603 2.424 2.811 . 0 0 "[ . 1 . 2]" 1
373 1 43 TYR HD1 2 8 PRO HG3 3.400 . 5.000 4.611 4.389 4.795 . 0 0 "[ . 1 . 2]" 1
374 1 44 LEU H 1 44 LEU HB3 3.300 . 4.800 2.465 2.414 2.528 . 0 0 "[ . 1 . 2]" 1
375 1 44 LEU H 1 44 LEU HB2 3.300 . 4.800 2.889 2.839 2.935 . 0 0 "[ . 1 . 2]" 1
376 1 44 LEU H 1 44 LEU MD1 3.300 . 5.300 4.380 4.355 4.405 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU HA 1 44 LEU HG 3.400 . 5.000 3.077 3.021 3.173 . 0 0 "[ . 1 . 2]" 1
378 1 44 LEU HA 1 44 LEU MD1 2.800 . 3.800 2.335 2.241 2.408 . 0 0 "[ . 1 . 2]" 1
379 1 44 LEU HA 1 45 GLY H 2.700 . 3.600 2.168 2.120 2.207 . 0 0 "[ . 1 . 2]" 1
380 1 44 LEU HB3 1 44 LEU MD1 2.600 . 3.800 3.196 3.182 3.216 . 0 0 "[ . 1 . 2]" 1
381 1 44 LEU HB3 1 45 GLY H 3.400 . 5.000 4.137 3.994 4.329 . 0 0 "[ . 1 . 2]" 1
382 1 44 LEU HB2 1 44 LEU MD1 2.800 . 3.800 2.289 2.244 2.355 . 0 0 "[ . 1 . 2]" 1
383 1 44 LEU HB2 1 45 GLY H 3.400 . 5.000 4.100 3.985 4.243 . 0 0 "[ . 1 . 2]" 1
384 1 44 LEU HG 1 45 GLY H 3.400 . 5.000 2.788 2.487 3.295 . 0 0 "[ . 1 . 2]" 1
385 1 44 LEU MD1 1 45 GLY H 3.000 . 4.200 2.546 2.411 2.667 . 0 0 "[ . 1 . 2]" 1
386 1 44 LEU MD1 1 77 ALA MB 3.000 . 4.200 2.349 2.186 2.506 . 0 0 "[ . 1 . 2]" 1
387 1 44 LEU MD1 2 8 PRO HG3 3.400 . 5.000 4.178 4.139 4.208 . 0 0 "[ . 1 . 2]" 1
388 1 45 GLY H 1 46 THR H 3.400 . 5.000 4.405 4.376 4.430 . 0 0 "[ . 1 . 2]" 1
389 1 45 GLY H 1 59 VAL MG2 3.400 . 5.000 3.725 3.523 3.871 . 0 0 "[ . 1 . 2]" 1
390 1 45 GLY H 1 61 PHE HE2 3.400 . 5.000 4.610 4.272 4.794 . 0 0 "[ . 1 . 2]" 1
391 1 45 GLY HA3 1 46 THR H 3.100 . 4.400 2.601 2.500 2.857 . 0 0 "[ . 1 . 2]" 1
392 1 45 GLY HA3 1 59 VAL MG2 3.200 . 4.600 2.001 1.968 2.035 . 0 0 "[ . 1 . 2]" 1
393 1 45 GLY HA3 1 60 GLN H 3.400 . 5.000 4.549 4.499 4.619 . 0 0 "[ . 1 . 2]" 1
394 1 45 GLY HA3 1 61 PHE HA 3.400 . 5.000 2.923 2.512 3.105 . 0 0 "[ . 1 . 2]" 1
395 1 45 GLY HA3 1 61 PHE HD2 3.400 . 5.000 3.533 3.191 3.674 . 0 0 "[ . 1 . 2]" 1
396 1 45 GLY HA3 1 61 PHE HE2 3.400 . 5.000 3.832 3.733 3.906 . 0 0 "[ . 1 . 2]" 1
397 1 45 GLY HA3 1 62 GLU H 3.400 . 5.000 4.759 4.355 5.058 0.058 19 0 "[ . 1 . 2]" 1
398 1 45 GLY HA2 1 46 THR H 3.200 . 4.600 2.463 2.300 2.532 . 0 0 "[ . 1 . 2]" 1
399 1 45 GLY HA2 1 59 VAL MG2 3.400 . 5.000 3.192 3.144 3.251 . 0 0 "[ . 1 . 2]" 1
400 1 45 GLY HA2 1 61 PHE HE2 3.400 . 5.000 5.061 5.031 5.099 0.099 1 0 "[ . 1 . 2]" 1
401 1 46 THR H 1 46 THR HB 3.200 . 4.600 3.292 3.236 3.329 . 0 0 "[ . 1 . 2]" 1
402 1 46 THR H 1 46 THR MG 3.400 . 5.000 3.856 3.698 3.938 . 0 0 "[ . 1 . 2]" 1
403 1 46 THR H 1 59 VAL MG2 3.300 . 4.800 2.360 2.057 2.956 . 0 0 "[ . 1 . 2]" 1
404 1 46 THR H 1 60 GLN H 3.100 . 4.400 2.958 2.832 3.357 . 0 0 "[ . 1 . 2]" 1
405 1 46 THR H 1 60 GLN HB2 3.400 . 5.000 4.687 4.595 4.849 . 0 0 "[ . 1 . 2]" 1
406 1 46 THR H 1 61 PHE HA 3.400 . 5.000 3.622 3.552 3.717 . 0 0 "[ . 1 . 2]" 1
407 1 46 THR HA 1 46 THR MG 3.000 . 4.200 2.146 2.135 2.156 . 0 0 "[ . 1 . 2]" 1
408 1 46 THR HA 1 47 ILE H 2.800 . 3.800 2.191 2.133 2.325 . 0 0 "[ . 1 . 2]" 1
409 1 46 THR HA 1 47 ILE HB 3.400 . 5.000 4.677 4.622 4.748 . 0 0 "[ . 1 . 2]" 1
410 1 46 THR HB 1 47 ILE H 3.400 . 5.000 3.416 3.071 3.615 . 0 0 "[ . 1 . 2]" 1
411 1 46 THR HB 1 60 GLN HB2 3.400 . 5.000 4.904 4.770 5.025 0.025 18 0 "[ . 1 . 2]" 1
412 1 46 THR MG 1 47 ILE H 3.100 . 4.400 2.614 2.410 2.799 . 0 0 "[ . 1 . 2]" 1
413 1 47 ILE H 1 47 ILE HB 2.900 . 4.000 2.506 2.478 2.537 . 0 0 "[ . 1 . 2]" 1
414 1 47 ILE H 1 47 ILE HG13 3.200 . 4.600 3.561 3.489 3.706 . 0 0 "[ . 1 . 2]" 1
415 1 47 ILE H 1 47 ILE HG12 3.000 . 4.200 2.134 2.026 2.360 . 0 0 "[ . 1 . 2]" 1
416 1 47 ILE H 1 47 ILE MD 3.400 . 5.000 3.376 3.233 3.580 . 0 0 "[ . 1 . 2]" 1
417 1 47 ILE H 1 47 ILE MG 3.400 . 5.000 3.794 3.785 3.808 . 0 0 "[ . 1 . 2]" 1
418 1 47 ILE HA 1 47 ILE HG13 3.400 . 5.000 3.734 3.725 3.740 . 0 0 "[ . 1 . 2]" 1
419 1 47 ILE HA 1 47 ILE HG12 3.100 . 4.400 2.970 2.933 3.005 . 0 0 "[ . 1 . 2]" 1
420 1 47 ILE HA 1 47 ILE MD 3.300 . 4.800 2.190 2.170 2.199 . 0 0 "[ . 1 . 2]" 1
421 1 47 ILE HA 1 47 ILE MG 3.200 . 4.600 2.490 2.393 2.549 . 0 0 "[ . 1 . 2]" 1
422 1 47 ILE HA 1 48 LYS H 2.800 . 3.800 2.061 2.049 2.074 . 0 0 "[ . 1 . 2]" 1
423 1 47 ILE HA 1 49 LYS H 3.400 . 5.000 3.492 3.433 3.580 . 0 0 "[ . 1 . 2]" 1
424 1 47 ILE HA 1 59 VAL MG2 3.400 . 5.000 3.862 3.772 3.912 . 0 0 "[ . 1 . 2]" 1
425 1 47 ILE HB 1 47 ILE MD 3.400 . 5.000 3.237 3.232 3.243 . 0 0 "[ . 1 . 2]" 1
426 1 47 ILE HB 1 48 LYS H 3.400 . 5.000 4.314 4.277 4.335 . 0 0 "[ . 1 . 2]" 1
427 1 47 ILE HG13 1 57 CYS HB2 3.400 . 5.000 4.974 4.629 5.039 0.039 5 0 "[ . 1 . 2]" 1
428 1 47 ILE MD 1 48 LYS H 3.400 . 5.000 3.563 3.471 3.598 . 0 0 "[ . 1 . 2]" 1
429 1 47 ILE MD 1 49 LYS H 3.400 . 5.000 3.956 3.928 3.986 . 0 0 "[ . 1 . 2]" 1
430 1 47 ILE MD 1 57 CYS HB3 3.400 . 5.000 2.280 2.178 2.758 . 0 0 "[ . 1 . 2]" 1
431 1 47 ILE MD 1 57 CYS HB2 3.400 . 5.000 2.904 2.328 3.020 . 0 0 "[ . 1 . 2]" 1
432 1 47 ILE MD 1 58 LEU H 3.400 . 5.000 3.967 3.886 3.990 . 0 0 "[ . 1 . 2]" 1
433 1 47 ILE MD 1 58 LEU HA 4.000 . 5.600 4.578 4.543 4.666 . 0 0 "[ . 1 . 2]" 1
434 1 47 ILE MD 1 59 VAL MG2 3.400 . 5.000 3.322 3.298 3.355 . 0 0 "[ . 1 . 2]" 1
435 1 47 ILE HG13 1 47 ILE MG 3.400 . 5.000 2.438 2.338 2.495 . 0 0 "[ . 1 . 2]" 1
436 1 47 ILE MG 1 48 LYS H 3.100 . 4.400 2.860 2.749 2.953 . 0 0 "[ . 1 . 2]" 1
437 1 47 ILE MG 1 48 LYS HA 3.400 . 5.000 3.893 3.795 4.010 . 0 0 "[ . 1 . 2]" 1
438 1 47 ILE MG 1 49 LYS H 3.000 . 4.200 2.456 2.259 2.627 . 0 0 "[ . 1 . 2]" 1
439 1 47 ILE MG 1 49 LYS HA 3.400 . 5.000 3.621 3.529 3.701 . 0 0 "[ . 1 . 2]" 1
440 1 47 ILE MG 1 50 VAL H 3.400 . 5.000 4.237 4.186 4.263 . 0 0 "[ . 1 . 2]" 1
441 1 47 ILE MG 1 50 VAL HA 3.400 . 5.000 3.495 3.463 3.590 . 0 0 "[ . 1 . 2]" 1
442 1 47 ILE MG 1 57 CYS HA 3.400 . 5.000 4.147 4.090 4.193 . 0 0 "[ . 1 . 2]" 1
443 1 47 ILE MG 1 57 CYS HB2 3.400 . 5.000 3.875 3.366 4.042 . 0 0 "[ . 1 . 2]" 1
444 1 47 ILE MG 1 58 LEU H 3.400 . 5.000 3.523 3.439 3.587 . 0 0 "[ . 1 . 2]" 1
445 1 48 LYS H 1 48 LYS HB3 3.200 . 4.600 3.126 2.854 3.375 . 0 0 "[ . 1 . 2]" 1
446 1 48 LYS H 1 48 LYS HB2 3.200 . 4.600 2.297 2.196 2.436 . 0 0 "[ . 1 . 2]" 1
447 1 48 LYS H 1 48 LYS HG3 3.100 . 4.400 4.295 4.079 4.467 0.067 17 0 "[ . 1 . 2]" 1
448 1 48 LYS H 1 49 LYS H 3.000 . 4.200 2.141 2.111 2.186 . 0 0 "[ . 1 . 2]" 1
449 1 48 LYS H 1 59 VAL HA 3.300 . 4.800 2.013 1.977 2.037 . 0 0 "[ . 1 . 2]" 1
450 1 48 LYS H 1 59 VAL MG1 3.400 . 5.000 4.127 4.102 4.148 . 0 0 "[ . 1 . 2]" 1
451 1 48 LYS H 1 59 VAL MG2 3.400 . 5.400 4.542 4.518 4.560 . 0 0 "[ . 1 . 2]" 1
452 1 48 LYS H 1 60 GLN H 3.400 . 5.000 3.392 3.221 3.482 . 0 0 "[ . 1 . 2]" 1
453 1 48 LYS HA 1 49 LYS H 3.400 . 5.000 3.491 3.466 3.518 . 0 0 "[ . 1 . 2]" 1
454 1 48 LYS HA 1 60 GLN H 3.400 . 5.000 4.921 4.813 4.997 . 0 0 "[ . 1 . 2]" 1
455 1 48 LYS HB3 1 49 LYS H 3.300 . 4.800 3.164 2.881 3.430 . 0 0 "[ . 1 . 2]" 1
456 1 48 LYS HB2 1 49 LYS H 3.400 . 5.000 3.468 3.160 3.663 . 0 0 "[ . 1 . 2]" 1
457 1 48 LYS HG3 1 66 GLN HE21 3.400 . 5.000 3.915 2.818 5.029 0.029 6 0 "[ . 1 . 2]" 1
458 1 48 LYS HG3 1 66 GLN HE22 3.400 . 5.000 3.630 2.847 5.021 0.021 1 0 "[ . 1 . 2]" 1
459 1 49 LYS H 1 49 LYS HB3 3.200 . 4.600 3.342 3.133 3.830 . 0 0 "[ . 1 . 2]" 1
460 1 49 LYS H 1 49 LYS HE3 3.400 . 5.000 5.030 4.415 5.157 0.157 11 0 "[ . 1 . 2]" 1
461 1 49 LYS H 1 50 VAL H 3.400 . 5.000 4.395 4.383 4.413 . 0 0 "[ . 1 . 2]" 1
462 1 49 LYS H 1 57 CYS HA 3.400 . 5.000 5.017 4.994 5.041 0.041 8 0 "[ . 1 . 2]" 1
463 1 49 LYS H 1 58 LEU H 3.400 . 5.000 3.122 3.078 3.155 . 0 0 "[ . 1 . 2]" 1
464 1 49 LYS H 1 58 LEU HB3 3.100 . 4.400 2.776 2.578 2.957 . 0 0 "[ . 1 . 2]" 1
465 1 49 LYS H 1 58 LEU HB2 3.100 . 4.400 3.772 3.619 3.973 . 0 0 "[ . 1 . 2]" 1
466 1 49 LYS HA 1 49 LYS HD3 3.400 . 5.000 4.225 3.411 4.651 . 0 0 "[ . 1 . 2]" 1
467 1 49 LYS HA 1 49 LYS HG3 3.400 . 5.000 2.619 2.126 3.544 . 0 0 "[ . 1 . 2]" 1
468 1 49 LYS HA 1 50 VAL H 2.700 . 3.600 2.392 2.365 2.440 . 0 0 "[ . 1 . 2]" 1
469 1 49 LYS HA 1 50 VAL MG2 3.400 . 5.000 3.589 3.483 3.701 . 0 0 "[ . 1 . 2]" 1
470 1 49 LYS HB3 1 50 VAL H 3.300 . 4.800 2.991 2.313 3.182 . 0 0 "[ . 1 . 2]" 1
471 1 49 LYS HB3 1 58 LEU H 3.400 . 5.000 2.810 2.617 3.712 . 0 0 "[ . 1 . 2]" 1
472 1 49 LYS HE3 1 50 VAL H 3.400 . 5.000 3.988 1.799 5.107 0.107 20 0 "[ . 1 . 2]" 1
473 1 49 LYS HE3 1 49 LYS HG3 3.400 . 5.000 2.936 2.278 3.669 . 0 0 "[ . 1 . 2]" 1
474 1 49 LYS HG3 1 50 VAL H 3.400 . 5.000 3.317 2.420 4.257 . 0 0 "[ . 1 . 2]" 1
475 1 50 VAL H 1 50 VAL HB 3.000 . 4.200 2.802 2.767 2.846 . 0 0 "[ . 1 . 2]" 1
476 1 50 VAL H 1 50 VAL MG1 3.400 . 5.000 3.910 3.884 3.928 . 0 0 "[ . 1 . 2]" 1
477 1 50 VAL H 1 50 VAL MG2 3.100 . 4.400 3.147 3.043 3.281 . 0 0 "[ . 1 . 2]" 1
478 1 50 VAL H 1 51 ASP H 3.400 . 5.000 4.291 4.267 4.318 . 0 0 "[ . 1 . 2]" 1
479 1 50 VAL H 1 58 LEU H 3.400 . 5.000 4.253 4.218 4.282 . 0 0 "[ . 1 . 2]" 1
480 1 50 VAL H 1 58 LEU HB2 3.400 . 5.000 5.107 5.079 5.137 0.137 4 0 "[ . 1 . 2]" 1
481 1 50 VAL HA 1 50 VAL MG1 3.400 . 5.000 2.520 2.425 2.584 . 0 0 "[ . 1 . 2]" 1
482 1 50 VAL HA 1 50 VAL MG2 3.000 . 4.200 2.301 2.219 2.415 . 0 0 "[ . 1 . 2]" 1
483 1 50 VAL HA 1 51 ASP H 2.900 . 4.000 2.131 2.119 2.158 . 0 0 "[ . 1 . 2]" 1
484 1 50 VAL HA 1 71 TRP HE1 3.400 . 5.000 3.950 3.834 4.331 . 0 0 "[ . 1 . 2]" 1
485 1 50 VAL MG1 1 51 ASP H 3.200 . 4.600 2.408 2.205 2.548 . 0 0 "[ . 1 . 2]" 1
486 1 50 VAL MG1 1 52 SER HB3 3.400 . 5.000 3.941 2.831 4.209 . 0 0 "[ . 1 . 2]" 1
487 1 50 VAL MG1 1 57 CYS HA 3.400 . 5.000 4.025 3.938 4.085 . 0 0 "[ . 1 . 2]" 1
488 1 50 VAL MG1 1 71 TRP HE1 3.300 . 4.800 3.255 3.091 3.416 . 0 0 "[ . 1 . 2]" 1
489 1 50 VAL MG1 1 71 TRP HH2 3.200 . 4.600 3.635 3.492 3.821 . 0 0 "[ . 1 . 2]" 1
490 1 50 VAL MG1 1 71 TRP HZ2 3.200 . 4.600 2.159 2.038 2.464 . 0 0 "[ . 1 . 2]" 1
491 1 50 VAL MG2 1 51 ASP H 3.400 . 5.000 3.832 3.725 3.926 . 0 0 "[ . 1 . 2]" 1
492 1 50 VAL MG2 1 57 CYS HA 3.400 . 5.000 3.906 3.660 4.057 . 0 0 "[ . 1 . 2]" 1
493 1 51 ASP H 1 51 ASP HB3 3.400 . 5.000 3.597 3.504 3.630 . 0 0 "[ . 1 . 2]" 1
494 1 51 ASP H 1 51 ASP HB2 3.300 . 4.800 2.487 2.478 2.500 . 0 0 "[ . 1 . 2]" 1
495 1 51 ASP H 1 56 VAL H 3.400 . 5.000 3.772 3.566 3.859 . 0 0 "[ . 1 . 2]" 1
496 1 51 ASP H 1 57 CYS HA 3.300 . 4.800 2.571 2.502 2.675 . 0 0 "[ . 1 . 2]" 1
497 1 51 ASP H 1 71 TRP HE1 3.400 . 5.000 2.984 2.897 3.108 . 0 0 "[ . 1 . 2]" 1
498 1 51 ASP HA 1 52 SER H 3.100 . 4.400 2.302 2.279 2.332 . 0 0 "[ . 1 . 2]" 1
499 1 51 ASP HA 1 53 ALA H 3.400 . 5.000 3.222 3.194 3.247 . 0 0 "[ . 1 . 2]" 1
500 1 51 ASP HB3 1 56 VAL MG1 3.500 . 5.400 4.528 4.380 4.565 . 0 0 "[ . 1 . 2]" 1
501 1 51 ASP HB2 1 56 VAL H 3.400 . 5.000 3.074 2.764 3.268 . 0 0 "[ . 1 . 2]" 1
502 1 51 ASP HB2 1 56 VAL HB 3.400 . 5.000 2.281 2.204 2.336 . 0 0 "[ . 1 . 2]" 1
503 1 51 ASP HB2 1 56 VAL MG1 3.100 . 4.400 3.683 3.627 3.757 . 0 0 "[ . 1 . 2]" 1
504 1 52 SER H 1 52 SER HB3 3.400 . 5.000 3.131 2.666 3.609 . 0 0 "[ . 1 . 2]" 1
505 1 52 SER H 1 53 ALA H 3.400 . 5.000 2.665 2.599 2.719 . 0 0 "[ . 1 . 2]" 1
506 1 52 SER H 1 53 ALA HA 3.400 . 5.300 5.132 5.115 5.183 . 0 0 "[ . 1 . 2]" 1
507 1 52 SER H 1 71 TRP HH2 3.400 . 5.000 5.041 5.024 5.076 0.076 20 0 "[ . 1 . 2]" 1
508 1 52 SER HA 1 53 ALA H 3.400 . 5.000 3.307 3.258 3.371 . 0 0 "[ . 1 . 2]" 1
509 1 52 SER HA 1 71 TRP HH2 3.300 . 4.800 3.101 2.878 3.197 . 0 0 "[ . 1 . 2]" 1
510 1 52 SER HA 1 71 TRP HZ2 3.400 . 5.000 2.718 2.331 2.921 . 0 0 "[ . 1 . 2]" 1
511 1 52 SER HB3 1 71 TRP HH2 3.400 . 5.000 3.588 2.779 4.522 . 0 0 "[ . 1 . 2]" 1
512 1 52 SER HB3 1 71 TRP HZ2 3.400 . 5.000 4.180 2.969 4.851 . 0 0 "[ . 1 . 2]" 1
513 1 53 ALA H 1 53 ALA MB 2.700 . 3.600 2.291 2.228 2.321 . 0 0 "[ . 1 . 2]" 1
514 1 53 ALA H 1 54 ARG H 3.000 . 4.200 2.348 2.304 2.432 . 0 0 "[ . 1 . 2]" 1
515 1 53 ALA H 1 55 GLU H 3.400 . 5.000 3.459 3.343 3.544 . 0 0 "[ . 1 . 2]" 1
516 1 53 ALA HA 1 54 ARG H 3.400 . 5.000 3.538 3.508 3.565 . 0 0 "[ . 1 . 2]" 1
517 1 53 ALA HA 1 53 ALA MB 3.000 . 4.100 2.124 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
518 1 53 ALA MB 1 54 ARG H 3.000 . 4.200 2.582 2.452 2.698 . 0 0 "[ . 1 . 2]" 1
519 1 54 ARG H 1 54 ARG HB3 3.100 . 4.400 3.516 2.903 3.662 . 0 0 "[ . 1 . 2]" 1
520 1 54 ARG H 1 54 ARG HB2 3.400 . 5.000 2.390 2.286 2.563 . 0 0 "[ . 1 . 2]" 1
521 1 54 ARG H 1 54 ARG HD3 3.400 . 5.000 4.704 3.616 5.055 0.055 19 0 "[ . 1 . 2]" 1
522 1 54 ARG H 1 55 GLU HG2 3.400 . 5.000 5.003 4.961 5.020 0.020 1 0 "[ . 1 . 2]" 1
523 1 54 ARG HA 1 54 ARG HD3 3.400 . 5.000 3.614 2.641 4.562 . 0 0 "[ . 1 . 2]" 1
524 1 54 ARG HA 1 55 GLU H 3.400 . 5.000 3.195 3.155 3.248 . 0 0 "[ . 1 . 2]" 1
525 1 54 ARG HB3 1 54 ARG HD3 3.400 . 5.000 2.877 2.316 3.773 . 0 0 "[ . 1 . 2]" 1
526 1 55 GLU H 1 55 GLU HB3 3.400 . 5.000 4.113 4.103 4.125 . 0 0 "[ . 1 . 2]" 1
527 1 55 GLU H 1 55 GLU HG3 3.400 . 5.000 4.254 4.120 4.313 . 0 0 "[ . 1 . 2]" 1
528 1 55 GLU H 1 55 GLU HG2 3.400 . 5.000 2.842 2.787 2.938 . 0 0 "[ . 1 . 2]" 1
529 1 55 GLU H 1 56 VAL H 3.400 . 5.000 2.748 2.686 2.866 . 0 0 "[ . 1 . 2]" 1
530 1 55 GLU HA 1 55 GLU HG2 3.400 . 5.000 2.548 2.446 2.654 . 0 0 "[ . 1 . 2]" 1
531 1 55 GLU HA 1 56 VAL H 3.300 . 4.800 2.649 2.511 2.735 . 0 0 "[ . 1 . 2]" 1
532 1 55 GLU HA 1 71 TRP HD1 3.100 . 4.400 4.473 4.429 4.499 0.099 10 0 "[ . 1 . 2]" 1
533 1 55 GLU HA 1 71 TRP HE1 3.400 . 5.000 4.108 3.676 4.208 . 0 0 "[ . 1 . 2]" 1
534 1 55 GLU HB3 1 56 VAL H 3.400 . 5.000 4.388 4.345 4.398 . 0 0 "[ . 1 . 2]" 1
535 1 55 GLU HB3 1 71 TRP HD1 3.400 . 5.000 4.725 4.440 4.792 . 0 0 "[ . 1 . 2]" 1
536 1 56 VAL H 1 56 VAL HB 3.400 . 5.000 3.026 2.962 3.130 . 0 0 "[ . 1 . 2]" 1
537 1 56 VAL H 1 56 VAL MG1 3.300 . 4.800 3.995 3.979 4.019 . 0 0 "[ . 1 . 2]" 1
538 1 56 VAL H 1 71 TRP HE1 3.400 . 5.000 3.324 2.797 3.458 . 0 0 "[ . 1 . 2]" 1
539 1 56 VAL HA 1 56 VAL MG1 2.900 . 4.000 2.163 2.074 2.259 . 0 0 "[ . 1 . 2]" 1
540 1 56 VAL HA 1 57 CYS H 2.900 . 4.000 2.434 2.400 2.492 . 0 0 "[ . 1 . 2]" 1
541 1 56 VAL HA 1 70 LEU MD1 3.400 . 5.000 3.209 3.057 3.592 . 0 0 "[ . 1 . 2]" 1
542 1 56 VAL HA 1 71 TRP H 3.100 . 4.400 2.770 2.681 2.960 . 0 0 "[ . 1 . 2]" 1
543 1 56 VAL HA 1 71 TRP HD1 3.400 . 5.000 2.381 2.303 2.441 . 0 0 "[ . 1 . 2]" 1
544 1 56 VAL HA 1 74 ILE MD 3.400 . 5.000 3.969 3.915 4.023 . 0 0 "[ . 1 . 2]" 1
545 1 56 VAL HB 1 57 CYS H 3.000 . 4.200 3.237 3.026 3.382 . 0 0 "[ . 1 . 2]" 1
546 1 56 VAL HB 1 70 LEU HA 3.400 . 5.000 4.744 4.567 4.895 . 0 0 "[ . 1 . 2]" 1
547 1 56 VAL HB 1 70 LEU MD1 3.400 . 5.000 4.028 3.948 4.145 . 0 0 "[ . 1 . 2]" 1
548 1 56 VAL HB 1 71 TRP HD1 3.400 . 5.000 5.102 5.090 5.125 0.125 9 0 "[ . 1 . 2]" 1
549 1 56 VAL MG1 1 57 CYS H 3.200 . 4.600 1.965 1.714 2.065 0.086 7 0 "[ . 1 . 2]" 1
550 1 56 VAL MG1 1 57 CYS HA 3.400 . 5.000 3.865 3.813 4.015 . 0 0 "[ . 1 . 2]" 1
551 1 56 VAL MG1 1 69 VAL H 3.200 . 4.600 3.378 3.125 3.552 . 0 0 "[ . 1 . 2]" 1
552 1 56 VAL MG1 1 69 VAL HA 3.400 . 5.000 3.962 3.814 4.051 . 0 0 "[ . 1 . 2]" 1
553 1 56 VAL MG1 1 70 LEU H 3.400 . 5.000 3.815 3.703 3.913 . 0 0 "[ . 1 . 2]" 1
554 1 56 VAL MG1 1 70 LEU HA 3.400 . 5.000 2.263 2.173 2.304 . 0 0 "[ . 1 . 2]" 1
555 1 56 VAL MG1 1 71 TRP H 3.400 . 5.000 3.955 3.929 3.990 . 0 0 "[ . 1 . 2]" 1
556 1 56 VAL MG1 1 71 TRP HD1 3.400 . 5.000 3.919 3.789 4.009 . 0 0 "[ . 1 . 2]" 1
557 1 57 CYS H 1 57 CYS HB3 3.400 . 5.000 3.850 3.801 3.992 . 0 0 "[ . 1 . 2]" 1
558 1 57 CYS H 1 57 CYS HB2 3.400 . 5.000 2.938 2.838 3.465 . 0 0 "[ . 1 . 2]" 1
559 1 57 CYS H 1 71 TRP H 3.400 . 5.000 4.568 4.429 4.776 . 0 0 "[ . 1 . 2]" 1
560 1 57 CYS H 1 71 TRP HD1 3.400 . 5.000 3.350 3.210 3.602 . 0 0 "[ . 1 . 2]" 1
561 1 57 CYS H 1 74 ILE MD 3.400 . 5.000 3.482 3.394 3.618 . 0 0 "[ . 1 . 2]" 1
562 1 57 CYS HA 1 58 LEU H 2.900 . 4.000 2.207 2.194 2.223 . 0 0 "[ . 1 . 2]" 1
563 1 57 CYS HB3 1 58 LEU H 3.400 . 5.000 2.944 2.859 3.235 . 0 0 "[ . 1 . 2]" 1
564 1 57 CYS HB3 1 59 VAL MG1 3.400 . 5.000 3.372 3.251 3.974 . 0 0 "[ . 1 . 2]" 1
565 1 57 CYS HB3 1 71 TRP HD1 3.400 . 5.000 4.869 4.775 5.010 0.010 16 0 "[ . 1 . 2]" 1
566 1 57 CYS HB3 1 74 ILE MD 3.200 . 4.600 3.649 3.539 3.899 . 0 0 "[ . 1 . 2]" 1
567 1 57 CYS HB2 1 58 LEU H 3.400 . 5.000 4.052 3.277 4.198 . 0 0 "[ . 1 . 2]" 1
568 1 57 CYS HB2 1 59 VAL MG1 3.200 . 4.700 3.679 2.572 3.820 . 0 0 "[ . 1 . 2]" 1
569 1 57 CYS HB2 1 74 ILE MD 3.400 . 5.000 2.643 2.556 2.866 . 0 0 "[ . 1 . 2]" 1
570 1 58 LEU H 1 58 LEU HB3 3.300 . 4.800 3.011 2.964 3.039 . 0 0 "[ . 1 . 2]" 1
571 1 58 LEU H 1 58 LEU HB2 3.200 . 4.600 2.402 2.374 2.487 . 0 0 "[ . 1 . 2]" 1
572 1 58 LEU HA 1 58 LEU MD1 3.200 . 4.600 2.269 2.193 2.326 . 0 0 "[ . 1 . 2]" 1
573 1 58 LEU HA 1 59 VAL H 2.900 . 4.000 2.165 2.100 2.194 . 0 0 "[ . 1 . 2]" 1
574 1 58 LEU HA 1 59 VAL MG1 3.400 . 5.000 3.069 3.037 3.130 . 0 0 "[ . 1 . 2]" 1
575 1 58 LEU HA 1 68 LEU HA 3.400 . 5.000 2.509 2.388 2.623 . 0 0 "[ . 1 . 2]" 1
576 1 58 LEU HB3 1 58 LEU MD1 3.100 . 4.400 2.528 2.470 2.600 . 0 0 "[ . 1 . 2]" 1
577 1 58 LEU HB3 1 59 VAL H 3.400 . 5.000 3.645 3.595 3.849 . 0 0 "[ . 1 . 2]" 1
578 1 58 LEU HB3 1 68 LEU HA 3.400 . 5.000 5.092 5.056 5.162 0.162 9 0 "[ . 1 . 2]" 1
579 1 58 LEU MD1 1 59 VAL H 3.200 . 4.600 1.905 1.787 2.189 0.013 15 0 "[ . 1 . 2]" 1
580 1 58 LEU MD1 1 60 GLN HA 3.400 . 5.000 4.238 4.194 4.261 . 0 0 "[ . 1 . 2]" 1
581 1 58 LEU MD1 1 66 GLN HA 3.400 . 5.000 3.066 2.951 3.222 . 0 0 "[ . 1 . 2]" 1
582 1 58 LEU MD1 1 66 GLN HB3 3.400 . 5.000 2.603 2.454 2.778 . 0 0 "[ . 1 . 2]" 1
583 1 58 LEU MD1 1 66 GLN HG3 3.400 . 5.000 4.001 3.951 4.170 . 0 0 "[ . 1 . 2]" 1
584 1 58 LEU MD1 1 66 GLN HG2 3.400 . 5.000 3.874 3.093 3.997 . 0 0 "[ . 1 . 2]" 1
585 1 58 LEU MD1 1 67 PHE H 3.400 . 5.000 3.044 2.911 3.234 . 0 0 "[ . 1 . 2]" 1
586 1 58 LEU MD1 1 67 PHE HA 3.400 . 5.000 3.563 3.389 3.740 . 0 0 "[ . 1 . 2]" 1
587 1 58 LEU MD1 1 68 LEU H 3.400 . 5.000 3.305 3.175 3.446 . 0 0 "[ . 1 . 2]" 1
588 1 58 LEU MD1 1 69 VAL H 3.400 . 5.000 4.067 4.007 4.134 . 0 0 "[ . 1 . 2]" 1
589 1 59 VAL H 1 59 VAL HB 3.000 . 4.200 3.795 3.719 3.813 . 0 0 "[ . 1 . 2]" 1
590 1 59 VAL H 1 59 VAL MG1 3.100 . 4.400 2.079 1.930 2.149 . 0 0 "[ . 1 . 2]" 1
591 1 59 VAL H 1 59 VAL MG2 3.400 . 5.000 3.356 3.243 3.421 . 0 0 "[ . 1 . 2]" 1
592 1 59 VAL H 1 60 GLN H 3.300 . 4.800 4.370 4.342 4.430 . 0 0 "[ . 1 . 2]" 1
593 1 59 VAL H 1 66 GLN HA 3.400 . 5.000 4.607 4.523 4.746 . 0 0 "[ . 1 . 2]" 1
594 1 59 VAL H 1 67 PHE H 3.200 . 4.600 3.776 3.658 3.889 . 0 0 "[ . 1 . 2]" 1
595 1 59 VAL H 1 68 LEU HA 3.400 . 5.000 3.481 3.291 3.679 . 0 0 "[ . 1 . 2]" 1
596 1 59 VAL H 1 69 VAL MG2 3.400 . 5.000 3.431 3.200 3.518 . 0 0 "[ . 1 . 2]" 1
597 1 59 VAL HA 1 59 VAL MG1 3.000 . 4.200 2.998 2.950 3.023 . 0 0 "[ . 1 . 2]" 1
598 1 59 VAL HA 1 59 VAL MG2 3.100 . 4.400 2.930 2.905 2.966 . 0 0 "[ . 1 . 2]" 1
599 1 59 VAL HA 1 60 GLN H 2.800 . 3.800 2.175 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
600 1 59 VAL HA 1 60 GLN HB3 3.400 . 5.000 4.876 4.842 4.930 . 0 0 "[ . 1 . 2]" 1
601 1 59 VAL HB 1 60 GLN H 3.400 . 5.000 3.350 3.300 3.394 . 0 0 "[ . 1 . 2]" 1
602 1 59 VAL HB 1 61 PHE QE 3.400 . 5.300 5.005 4.967 5.162 . 0 0 "[ . 1 . 2]" 1
603 1 59 VAL HB 1 61 PHE HZ 3.400 . 5.300 5.282 5.202 5.337 0.037 8 0 "[ . 1 . 2]" 1
604 1 59 VAL HB 1 69 VAL MG2 3.400 . 5.200 4.299 4.278 4.322 . 0 0 "[ . 1 . 2]" 1
605 1 59 VAL MG1 1 60 GLN H 3.400 . 5.000 4.295 4.287 4.311 . 0 0 "[ . 1 . 2]" 1
606 1 59 VAL MG1 1 69 VAL H 3.400 . 5.000 3.221 3.134 3.293 . 0 0 "[ . 1 . 2]" 1
607 1 59 VAL MG1 1 69 VAL HB 3.200 . 4.600 3.127 3.040 3.249 . 0 0 "[ . 1 . 2]" 1
608 1 59 VAL MG1 1 69 VAL MG2 3.400 . 5.400 1.908 1.901 1.914 . 0 0 "[ . 1 . 2]" 1
609 1 59 VAL MG2 1 60 GLN H 3.200 . 4.600 2.582 2.526 2.640 . 0 0 "[ . 1 . 2]" 1
610 1 59 VAL MG2 1 60 GLN HA 3.400 . 5.000 3.576 3.556 3.600 . 0 0 "[ . 1 . 2]" 1
611 1 59 VAL MG2 1 61 PHE HA 3.400 . 5.000 3.530 3.395 3.686 . 0 0 "[ . 1 . 2]" 1
612 1 59 VAL MG2 1 61 PHE HD2 3.400 . 5.000 3.952 3.757 4.032 . 0 0 "[ . 1 . 2]" 1
613 1 59 VAL MG2 1 61 PHE HE2 3.200 . 4.600 3.357 3.029 3.440 . 0 0 "[ . 1 . 2]" 1
614 1 59 VAL MG2 1 61 PHE HZ 3.300 . 4.800 2.644 2.488 2.736 . 0 0 "[ . 1 . 2]" 1
615 1 59 VAL MG2 1 67 PHE H 3.400 . 5.000 3.960 3.927 4.011 . 0 0 "[ . 1 . 2]" 1
616 1 59 VAL MG2 1 69 VAL MG2 3.400 . 5.400 3.030 2.904 3.129 . 0 0 "[ . 1 . 2]" 1
617 1 60 GLN H 1 60 GLN HB3 3.400 . 5.000 2.745 2.714 2.794 . 0 0 "[ . 1 . 2]" 1
618 1 60 GLN H 1 60 GLN HB2 3.300 . 4.800 2.564 2.505 2.604 . 0 0 "[ . 1 . 2]" 1
619 1 60 GLN H 1 61 PHE H 3.400 . 5.000 4.524 4.431 4.576 . 0 0 "[ . 1 . 2]" 1
620 1 60 GLN HA 1 60 GLN HG3 3.400 . 5.000 2.273 2.246 2.297 . 0 0 "[ . 1 . 2]" 1
621 1 60 GLN HA 1 60 GLN HG2 3.400 . 5.000 3.524 3.445 3.555 . 0 0 "[ . 1 . 2]" 1
622 1 60 GLN HA 1 61 PHE H 2.900 . 4.000 2.260 2.152 2.408 . 0 0 "[ . 1 . 2]" 1
623 1 60 GLN HA 1 66 GLN HA 3.100 . 4.400 2.727 2.612 2.881 . 0 0 "[ . 1 . 2]" 1
624 1 60 GLN HA 1 66 GLN HG3 3.400 . 5.000 4.900 2.664 5.043 0.043 10 0 "[ . 1 . 2]" 1
625 1 60 GLN HA 1 66 GLN HG2 3.400 . 5.000 3.324 3.288 3.343 . 0 0 "[ . 1 . 2]" 1
626 1 60 GLN HA 1 67 PHE H 3.400 . 5.000 3.716 3.616 3.887 . 0 0 "[ . 1 . 2]" 1
627 1 60 GLN HB3 1 61 PHE H 3.400 . 5.000 3.805 3.489 3.994 . 0 0 "[ . 1 . 2]" 1
628 1 60 GLN HE21 1 64 ASP HA 3.400 . 5.000 4.130 3.927 4.222 . 0 0 "[ . 1 . 2]" 1
629 1 60 GLN HE21 1 64 ASP HB3 3.400 . 5.000 5.007 4.992 5.020 0.020 20 0 "[ . 1 . 2]" 1
630 1 60 GLN HE21 1 60 GLN HG3 3.400 . 5.000 2.263 2.114 3.195 . 0 0 "[ . 1 . 2]" 1
631 1 60 GLN HE22 1 60 GLN HG3 3.400 . 5.000 3.502 3.437 3.916 . 0 0 "[ . 1 . 2]" 1
632 1 60 GLN HG3 1 61 PHE H 3.400 . 5.000 2.490 2.221 2.919 . 0 0 "[ . 1 . 2]" 1
633 1 60 GLN HG3 1 64 ASP H 3.400 . 5.000 5.039 5.020 5.147 0.147 1 0 "[ . 1 . 2]" 1
634 1 60 GLN HG3 1 64 ASP HA 3.400 . 5.000 3.459 3.252 3.577 . 0 0 "[ . 1 . 2]" 1
635 1 60 GLN HG3 1 66 GLN HA 3.400 . 5.000 3.923 3.810 4.087 . 0 0 "[ . 1 . 2]" 1
636 1 60 GLN HG3 1 66 GLN HE22 3.400 . 5.000 5.011 4.991 5.066 0.066 1 0 "[ . 1 . 2]" 1
637 1 60 GLN HE21 1 60 GLN HG2 3.300 . 4.800 3.096 2.116 3.302 . 0 0 "[ . 1 . 2]" 1
638 1 60 GLN HG2 1 61 PHE H 3.400 . 5.000 3.553 3.238 3.865 . 0 0 "[ . 1 . 2]" 1
639 1 60 GLN HG2 1 64 ASP H 3.400 . 5.000 5.031 5.003 5.053 0.053 9 0 "[ . 1 . 2]" 1
640 1 60 GLN HG2 1 64 ASP HA 3.400 . 5.000 3.649 3.424 3.727 . 0 0 "[ . 1 . 2]" 1
641 1 60 GLN HG2 1 66 GLN HG2 3.400 . 5.000 4.684 4.612 5.061 0.061 1 0 "[ . 1 . 2]" 1
642 1 61 PHE H 1 61 PHE HB3 3.200 . 4.600 3.655 3.620 3.774 . 0 0 "[ . 1 . 2]" 1
643 1 61 PHE H 1 61 PHE HB2 3.400 . 5.000 2.446 2.384 2.655 . 0 0 "[ . 1 . 2]" 1
644 1 61 PHE H 1 61 PHE HD2 3.200 . 4.900 5.012 4.915 5.067 0.167 9 0 "[ . 1 . 2]" 1
645 1 61 PHE H 1 62 GLU H 3.400 . 5.000 4.520 4.468 4.562 . 0 0 "[ . 1 . 2]" 1
646 1 61 PHE H 1 65 SER H 3.400 . 5.000 2.436 2.316 3.114 . 0 0 "[ . 1 . 2]" 1
647 1 61 PHE H 1 66 GLN HA 3.400 . 5.000 3.941 3.389 4.373 . 0 0 "[ . 1 . 2]" 1
648 1 61 PHE H 1 66 GLN HG2 3.400 . 5.000 4.738 4.682 5.037 0.037 1 0 "[ . 1 . 2]" 1
649 1 61 PHE HA 1 61 PHE HD2 3.100 . 4.400 3.129 3.024 3.268 . 0 0 "[ . 1 . 2]" 1
650 1 61 PHE HA 1 62 GLU H 3.400 . 5.000 2.429 2.302 2.546 . 0 0 "[ . 1 . 2]" 1
651 1 61 PHE HA 1 63 ASP H 3.400 . 5.000 4.603 4.487 4.699 . 0 0 "[ . 1 . 2]" 1
652 1 61 PHE HA 1 64 ASP H 3.400 . 5.200 5.204 5.108 5.236 0.036 19 0 "[ . 1 . 2]" 1
653 1 61 PHE HB3 1 61 PHE HD2 3.000 . 4.200 2.332 2.300 2.393 . 0 0 "[ . 1 . 2]" 1
654 1 61 PHE HB3 1 62 GLU H 3.400 . 5.000 2.321 2.088 2.540 . 0 0 "[ . 1 . 2]" 1
655 1 61 PHE HB3 1 63 ASP H 3.400 . 5.000 3.117 3.042 3.274 . 0 0 "[ . 1 . 2]" 1
656 1 61 PHE HB3 1 64 ASP H 3.400 . 5.000 4.837 4.712 5.017 0.017 10 0 "[ . 1 . 2]" 1
657 1 61 PHE HB3 1 65 SER H 3.400 . 5.000 3.961 3.748 4.174 . 0 0 "[ . 1 . 2]" 1
658 1 61 PHE HB2 1 61 PHE HD2 3.000 . 4.200 3.581 3.547 3.631 . 0 0 "[ . 1 . 2]" 1
659 1 61 PHE HB2 1 62 GLU H 3.300 . 4.800 3.594 3.299 3.789 . 0 0 "[ . 1 . 2]" 1
660 1 61 PHE HB2 1 63 ASP H 3.400 . 5.000 3.630 3.330 3.730 . 0 0 "[ . 1 . 2]" 1
661 1 61 PHE HB2 1 65 SER H 3.400 . 5.000 2.491 2.376 2.578 . 0 0 "[ . 1 . 2]" 1
662 1 61 PHE HD2 1 62 GLU H 3.400 . 5.000 3.573 3.325 3.805 . 0 0 "[ . 1 . 2]" 1
663 1 61 PHE HD2 1 65 SER HB3 3.400 . 5.100 5.227 5.187 5.259 0.159 16 0 "[ . 1 . 2]" 1
664 1 61 PHE QE 1 67 PHE HB3 3.000 . 3.500 2.782 2.611 3.249 . 0 0 "[ . 1 . 2]" 1
665 1 61 PHE QE 1 67 PHE HB2 3.000 . 4.500 2.052 1.843 2.132 . 0 0 "[ . 1 . 2]" 1
666 1 61 PHE HE2 1 69 VAL MG2 3.400 . 5.000 3.871 3.670 3.985 . 0 0 "[ . 1 . 2]" 1
667 1 61 PHE HZ 1 69 VAL MG2 3.400 . 4.600 2.214 2.085 2.467 . 0 0 "[ . 1 . 2]" 1
668 1 62 GLU H 1 62 GLU HB3 3.300 . 4.800 3.124 2.903 3.559 . 0 0 "[ . 1 . 2]" 1
669 1 62 GLU H 1 62 GLU HB2 3.400 . 5.000 2.129 2.032 2.347 . 0 0 "[ . 1 . 2]" 1
670 1 62 GLU H 1 62 GLU HG3 3.400 . 5.000 4.222 3.525 4.465 . 0 0 "[ . 1 . 2]" 1
671 1 62 GLU H 1 62 GLU HG2 3.400 . 5.000 4.121 2.423 4.620 . 0 0 "[ . 1 . 2]" 1
672 1 62 GLU H 1 63 ASP H 3.300 . 4.800 2.876 2.724 2.958 . 0 0 "[ . 1 . 2]" 1
673 1 62 GLU HA 2 7 LYS HD3 3.400 . 5.000 5.139 5.039 5.214 0.214 14 0 "[ . 1 . 2]" 1
674 1 62 GLU HA 1 62 GLU HG3 3.200 . 4.700 2.762 2.303 3.714 . 0 0 "[ . 1 . 2]" 1
675 1 62 GLU HA 1 62 GLU HG2 3.400 . 5.000 3.255 2.241 3.645 . 0 0 "[ . 1 . 2]" 1
676 1 62 GLU HA 1 63 ASP H 3.400 . 5.000 3.583 3.573 3.597 . 0 0 "[ . 1 . 2]" 1
677 1 62 GLU HB3 1 63 ASP H 3.400 . 5.000 2.825 2.527 3.515 . 0 0 "[ . 1 . 2]" 1
678 1 62 GLU HG3 1 63 ASP H 3.400 . 5.000 4.723 4.391 5.105 0.105 20 0 "[ . 1 . 2]" 1
679 1 62 GLU HG2 2 7 LYS HD3 3.400 . 5.000 2.673 2.038 4.267 . 0 0 "[ . 1 . 2]" 1
680 1 62 GLU HG2 1 63 ASP H 3.400 . 5.000 4.890 4.585 5.039 0.039 18 0 "[ . 1 . 2]" 1
681 1 63 ASP H 1 63 ASP HB3 3.300 . 4.800 2.590 2.514 2.684 . 0 0 "[ . 1 . 2]" 1
682 1 63 ASP H 1 63 ASP HB2 3.400 . 5.000 2.622 2.564 2.672 . 0 0 "[ . 1 . 2]" 1
683 1 63 ASP H 1 64 ASP H 3.000 . 4.200 3.020 2.960 3.073 . 0 0 "[ . 1 . 2]" 1
684 1 63 ASP HB3 1 64 ASP H 3.400 . 5.000 4.206 4.180 4.247 . 0 0 "[ . 1 . 2]" 1
685 1 63 ASP HB2 1 64 ASP H 3.400 . 5.000 4.586 4.566 4.600 . 0 0 "[ . 1 . 2]" 1
686 1 64 ASP H 1 64 ASP HA 2.900 . 4.000 2.258 2.251 2.263 . 0 0 "[ . 1 . 2]" 1
687 1 64 ASP H 1 64 ASP HB3 3.400 . 5.000 4.019 3.027 4.094 . 0 0 "[ . 1 . 2]" 1
688 1 64 ASP H 1 64 ASP HB2 3.400 . 5.000 3.375 3.194 3.996 . 0 0 "[ . 1 . 2]" 1
689 1 64 ASP HA 1 65 SER H 3.400 . 5.000 2.567 2.513 2.908 . 0 0 "[ . 1 . 2]" 1
690 1 64 ASP HB2 1 65 SER H 3.400 . 5.000 4.497 4.185 4.568 . 0 0 "[ . 1 . 2]" 1
691 1 65 SER H 1 65 SER HB3 3.100 . 4.400 3.090 2.945 3.284 . 0 0 "[ . 1 . 2]" 1
692 1 65 SER HA 1 66 GLN H 2.900 . 4.000 2.145 2.127 2.215 . 0 0 "[ . 1 . 2]" 1
693 1 65 SER HB3 1 66 GLN H 3.200 . 4.600 3.807 3.290 3.918 . 0 0 "[ . 1 . 2]" 1
694 1 65 SER HB3 1 67 PHE HD1 3.100 . 4.600 4.641 4.622 4.661 0.061 20 0 "[ . 1 . 2]" 1
695 1 65 SER HB3 1 67 PHE HD2 3.100 . 4.600 4.727 4.681 4.751 0.151 20 0 "[ . 1 . 2]" 1
696 1 66 GLN H 1 66 GLN HB3 3.200 . 4.600 3.465 3.423 3.550 . 0 0 "[ . 1 . 2]" 1
697 1 66 GLN H 1 66 GLN HB2 3.300 . 4.800 2.288 2.261 2.447 . 0 0 "[ . 1 . 2]" 1
698 1 66 GLN H 1 66 GLN HG3 3.400 . 5.000 4.201 3.435 4.414 . 0 0 "[ . 1 . 2]" 1
699 1 66 GLN HA 1 66 GLN HG3 3.400 . 5.000 3.548 2.331 3.621 . 0 0 "[ . 1 . 2]" 1
700 1 66 GLN HA 1 66 GLN HG2 3.400 . 5.000 2.441 2.400 2.759 . 0 0 "[ . 1 . 2]" 1
701 1 66 GLN HA 1 67 PHE H 2.800 . 3.800 2.155 2.100 2.176 . 0 0 "[ . 1 . 2]" 1
702 1 66 GLN HA 1 67 PHE HD1 3.400 . 5.000 4.832 4.692 5.025 0.025 3 0 "[ . 1 . 2]" 1
703 1 66 GLN HB3 1 67 PHE H 3.400 . 5.000 3.992 3.923 4.020 . 0 0 "[ . 1 . 2]" 1
704 1 66 GLN HE21 1 66 GLN HG3 3.400 . 5.000 3.372 3.150 3.463 . 0 0 "[ . 1 . 2]" 1
705 1 66 GLN HE22 1 66 GLN HG3 3.400 . 5.000 4.005 3.888 4.052 . 0 0 "[ . 1 . 2]" 1
706 1 66 GLN HE21 1 66 GLN HG2 3.400 . 5.000 2.161 2.116 2.231 . 0 0 "[ . 1 . 2]" 1
707 1 66 GLN HE22 1 66 GLN HG2 3.400 . 5.000 3.457 3.437 3.484 . 0 0 "[ . 1 . 2]" 1
708 1 67 PHE H 1 67 PHE HB3 3.400 . 5.000 3.441 3.359 3.551 . 0 0 "[ . 1 . 2]" 1
709 1 67 PHE H 1 67 PHE HB2 3.000 . 4.200 2.341 2.311 2.434 . 0 0 "[ . 1 . 2]" 1
710 1 67 PHE H 1 67 PHE HD1 3.400 . 5.000 3.833 3.730 3.975 . 0 0 "[ . 1 . 2]" 1
711 1 67 PHE HA 1 67 PHE HD1 3.400 . 5.000 1.980 1.945 2.014 . 0 0 "[ . 1 . 2]" 1
712 1 67 PHE HA 1 68 LEU H 3.000 . 4.200 2.112 2.090 2.127 . 0 0 "[ . 1 . 2]" 1
713 1 67 PHE HB3 1 67 PHE HD1 3.000 . 4.200 3.656 3.600 3.679 . 0 0 "[ . 1 . 2]" 1
714 1 67 PHE HB3 1 68 LEU H 3.400 . 5.000 3.557 3.472 3.620 . 0 0 "[ . 1 . 2]" 1
715 1 67 PHE HB3 1 69 VAL MG2 3.400 . 5.000 3.218 3.005 3.397 . 0 0 "[ . 1 . 2]" 1
716 1 67 PHE HB2 1 67 PHE HD1 3.000 . 4.200 3.326 3.293 3.412 . 0 0 "[ . 1 . 2]" 1
717 1 67 PHE HB2 1 68 LEU H 3.300 . 4.800 4.461 4.412 4.493 . 0 0 "[ . 1 . 2]" 1
718 1 67 PHE HB2 1 69 VAL MG2 3.400 . 5.000 4.099 3.823 4.192 . 0 0 "[ . 1 . 2]" 1
719 1 67 PHE HD1 1 68 LEU H 3.400 . 5.000 3.870 3.732 3.971 . 0 0 "[ . 1 . 2]" 1
720 1 68 LEU H 1 68 LEU HB3 3.400 . 5.000 2.773 2.480 3.218 . 0 0 "[ . 1 . 2]" 1
721 1 68 LEU H 1 68 LEU HB2 3.100 . 4.400 3.070 2.426 3.642 . 0 0 "[ . 1 . 2]" 1
722 1 68 LEU H 1 68 LEU HG 3.200 . 4.600 3.956 3.500 4.576 . 0 0 "[ . 1 . 2]" 1
723 1 68 LEU H 1 68 LEU MD2 3.400 . 5.000 3.363 1.916 4.173 . 0 0 "[ . 1 . 2]" 1
724 1 68 LEU H 1 69 VAL H 3.400 . 5.000 4.487 4.407 4.525 . 0 0 "[ . 1 . 2]" 1
725 1 68 LEU HA 1 68 LEU HG 3.400 . 5.000 3.519 2.433 4.280 . 0 0 "[ . 1 . 2]" 1
726 1 68 LEU HA 1 68 LEU MD1 2.900 . 4.000 3.260 3.104 3.434 . 0 0 "[ . 1 . 2]" 1
727 1 68 LEU HA 1 68 LEU MD2 3.400 . 5.000 3.508 2.101 3.692 . 0 0 "[ . 1 . 2]" 1
728 1 68 LEU HA 1 69 VAL H 2.800 . 3.800 2.134 2.093 2.163 . 0 0 "[ . 1 . 2]" 1
729 1 68 LEU HB3 1 68 LEU MD1 3.300 . 4.800 2.584 2.077 2.820 . 0 0 "[ . 1 . 2]" 1
730 1 68 LEU HB3 1 68 LEU MD2 3.400 . 5.000 2.755 2.093 3.228 . 0 0 "[ . 1 . 2]" 1
731 1 68 LEU HB3 1 69 VAL H 3.400 . 5.000 4.071 3.680 4.332 . 0 0 "[ . 1 . 2]" 1
732 1 68 LEU HB2 1 68 LEU MD1 3.400 . 5.000 2.760 2.121 3.189 . 0 0 "[ . 1 . 2]" 1
733 1 68 LEU HB2 1 68 LEU MD2 3.100 . 4.400 2.643 2.206 3.031 . 0 0 "[ . 1 . 2]" 1
734 1 68 LEU MD1 1 69 VAL H 3.400 . 5.700 4.520 3.266 4.807 . 0 0 "[ . 1 . 2]" 1
735 1 68 LEU MD2 1 69 VAL H 3.400 . 5.300 3.833 2.103 4.313 . 0 0 "[ . 1 . 2]" 1
736 1 68 LEU MD2 1 69 VAL HA 3.400 . 5.000 3.705 3.321 4.040 . 0 0 "[ . 1 . 2]" 1
737 1 69 VAL H 1 69 VAL HA 3.000 . 4.200 2.956 2.951 2.962 . 0 0 "[ . 1 . 2]" 1
738 1 69 VAL H 1 69 VAL HB 3.000 . 4.200 3.116 3.061 3.180 . 0 0 "[ . 1 . 2]" 1
739 1 69 VAL H 1 69 VAL MG1 3.400 . 5.000 3.966 3.920 4.002 . 0 0 "[ . 1 . 2]" 1
740 1 69 VAL H 1 69 VAL MG2 3.100 . 4.400 2.190 2.052 2.307 . 0 0 "[ . 1 . 2]" 1
741 1 69 VAL HA 1 69 VAL MG1 3.300 . 4.800 2.205 2.186 2.221 . 0 0 "[ . 1 . 2]" 1
742 1 69 VAL HA 1 69 VAL MG2 3.200 . 4.600 2.791 2.775 2.813 . 0 0 "[ . 1 . 2]" 1
743 1 69 VAL HA 1 70 LEU H 2.800 . 3.800 2.219 2.191 2.238 . 0 0 "[ . 1 . 2]" 1
744 1 69 VAL HA 1 70 LEU MD1 3.400 . 5.000 3.962 3.897 4.067 . 0 0 "[ . 1 . 2]" 1
745 1 69 VAL HB 1 70 LEU H 2.800 . 3.800 3.354 3.329 3.378 . 0 0 "[ . 1 . 2]" 1
746 1 69 VAL HB 1 73 ASP HB3 3.400 . 5.000 5.040 5.029 5.052 0.052 10 0 "[ . 1 . 2]" 1
747 1 69 VAL HB 1 73 ASP HB2 3.400 . 5.000 5.028 5.023 5.038 0.038 20 0 "[ . 1 . 2]" 1
748 1 69 VAL MG1 1 70 LEU H 3.100 . 4.400 1.899 1.852 1.942 . 0 0 "[ . 1 . 2]" 1
749 1 69 VAL MG1 1 73 ASP H 3.300 . 4.800 3.785 3.743 3.833 . 0 0 "[ . 1 . 2]" 1
750 1 69 VAL MG1 1 73 ASP HA 3.400 . 5.300 4.464 4.447 4.483 . 0 0 "[ . 1 . 2]" 1
751 1 69 VAL MG1 1 73 ASP HB3 3.200 . 4.600 2.530 2.501 2.562 . 0 0 "[ . 1 . 2]" 1
752 1 69 VAL MG1 1 73 ASP HB2 3.200 . 4.600 2.630 2.597 2.651 . 0 0 "[ . 1 . 2]" 1
753 1 69 VAL MG1 1 74 ILE H 3.400 . 5.000 4.010 3.879 4.047 . 0 0 "[ . 1 . 2]" 1
754 1 69 VAL MG1 1 74 ILE HA 3.400 . 5.000 3.419 3.355 3.481 . 0 0 "[ . 1 . 2]" 1
755 1 69 VAL MG1 1 74 ILE MD 3.100 . 4.400 2.941 2.926 2.957 . 0 0 "[ . 1 . 2]" 1
756 1 69 VAL MG2 1 70 LEU H 3.400 . 5.000 4.132 4.107 4.156 . 0 0 "[ . 1 . 2]" 1
757 1 70 LEU H 1 70 LEU HB3 3.400 . 5.000 3.513 3.171 3.648 . 0 0 "[ . 1 . 2]" 1
758 1 70 LEU H 1 70 LEU HG 3.400 . 5.000 4.160 4.020 4.509 . 0 0 "[ . 1 . 2]" 1
759 1 70 LEU H 1 70 LEU MD1 3.400 . 5.000 3.240 3.056 3.330 . 0 0 "[ . 1 . 2]" 1
760 1 70 LEU H 1 71 TRP H 3.400 . 5.000 4.576 4.549 4.588 . 0 0 "[ . 1 . 2]" 1
761 1 70 LEU H 1 72 LYS H 3.400 . 5.000 4.685 4.576 4.738 . 0 0 "[ . 1 . 2]" 1
762 1 70 LEU H 1 73 ASP H 3.400 . 5.000 3.843 3.748 3.904 . 0 0 "[ . 1 . 2]" 1
763 1 70 LEU H 1 73 ASP HB3 3.400 . 5.000 3.990 3.828 4.200 . 0 0 "[ . 1 . 2]" 1
764 1 70 LEU H 1 73 ASP HB2 3.400 . 5.000 2.963 2.831 3.127 . 0 0 "[ . 1 . 2]" 1
765 1 70 LEU H 1 74 ILE HG13 2.900 . 4.000 3.768 3.688 3.837 . 0 0 "[ . 1 . 2]" 1
766 1 70 LEU HA 1 70 LEU MD1 3.400 . 5.000 2.282 2.156 2.762 . 0 0 "[ . 1 . 2]" 1
767 1 70 LEU HA 1 71 TRP H 2.800 . 3.800 2.270 2.244 2.304 . 0 0 "[ . 1 . 2]" 1
768 1 70 LEU HA 1 71 TRP HD1 3.400 . 5.000 3.232 2.970 3.398 . 0 0 "[ . 1 . 2]" 1
769 1 70 LEU HB3 1 71 TRP H 3.300 . 4.800 2.878 2.740 3.308 . 0 0 "[ . 1 . 2]" 1
770 1 70 LEU HB3 1 72 LYS H 2.900 . 4.000 2.433 2.112 2.595 . 0 0 "[ . 1 . 2]" 1
771 1 70 LEU HB3 1 73 ASP H 3.200 . 4.600 3.344 2.467 3.640 . 0 0 "[ . 1 . 2]" 1
772 1 70 LEU MD1 1 71 TRP H 3.400 . 5.000 3.677 3.501 4.208 . 0 0 "[ . 1 . 2]" 1
773 1 70 LEU MD1 1 72 LYS H 3.400 . 5.500 4.622 4.515 4.830 . 0 0 "[ . 1 . 2]" 1
774 1 70 LEU MD1 1 72 LYS HE2 3.400 . 4.500 3.718 3.568 3.905 . 0 0 "[ . 1 . 2]" 1
775 1 71 TRP H 1 71 TRP HB3 3.400 . 5.000 3.607 3.596 3.636 . 0 0 "[ . 1 . 2]" 1
776 1 71 TRP H 1 71 TRP HB2 3.200 . 4.600 2.466 2.417 2.570 . 0 0 "[ . 1 . 2]" 1
777 1 71 TRP H 1 71 TRP HD1 3.400 . 5.000 2.245 2.025 2.386 . 0 0 "[ . 1 . 2]" 1
778 1 71 TRP H 1 72 LYS H 3.400 . 5.000 2.742 2.703 2.772 . 0 0 "[ . 1 . 2]" 1
779 1 71 TRP H 1 73 ASP H 3.400 . 5.000 4.403 4.274 4.523 . 0 0 "[ . 1 . 2]" 1
780 1 71 TRP HA 1 71 TRP HD1 2.900 . 4.000 2.746 2.679 2.840 . 0 0 "[ . 1 . 2]" 1
781 1 71 TRP HA 1 72 LYS H 3.100 . 4.400 3.404 3.383 3.422 . 0 0 "[ . 1 . 2]" 1
782 1 71 TRP HA 1 73 ASP H 3.400 . 5.000 4.284 4.142 4.465 . 0 0 "[ . 1 . 2]" 1
783 1 71 TRP HA 1 74 ILE H 3.400 . 5.000 3.574 3.423 3.685 . 0 0 "[ . 1 . 2]" 1
784 1 71 TRP HA 1 74 ILE HB 3.400 . 5.000 2.475 2.383 2.579 . 0 0 "[ . 1 . 2]" 1
785 1 71 TRP HA 1 74 ILE MD 3.300 . 4.800 2.387 2.281 2.514 . 0 0 "[ . 1 . 2]" 1
786 1 71 TRP HB3 1 71 TRP HD1 3.400 . 5.000 3.816 3.799 3.824 . 0 0 "[ . 1 . 2]" 1
787 1 71 TRP HB3 1 71 TRP HE3 3.400 . 5.000 2.650 2.636 2.673 . 0 0 "[ . 1 . 2]" 1
788 1 71 TRP HB3 1 72 LYS H 3.400 . 5.000 4.073 4.024 4.152 . 0 0 "[ . 1 . 2]" 1
789 1 71 TRP HB2 1 71 TRP HD1 3.400 . 5.000 3.411 3.386 3.432 . 0 0 "[ . 1 . 2]" 1
790 1 71 TRP HD1 1 74 ILE HG13 3.400 . 5.000 5.095 5.083 5.118 0.118 20 0 "[ . 1 . 2]" 1
791 1 71 TRP HD1 1 74 ILE MD 3.100 . 4.400 2.818 2.766 2.908 . 0 0 "[ . 1 . 2]" 1
792 1 71 TRP HE1 1 74 ILE MD 3.400 . 5.000 4.238 4.204 4.286 . 0 0 "[ . 1 . 2]" 1
793 1 72 LYS H 1 72 LYS HG2 3.200 . 4.600 2.583 1.845 4.093 . 0 0 "[ . 1 . 2]" 1
794 1 72 LYS HA 1 72 LYS HB3 3.000 . 4.200 2.400 2.328 2.543 . 0 0 "[ . 1 . 2]" 1
795 1 72 LYS HA 1 73 ASP H 3.400 . 5.000 3.502 3.462 3.531 . 0 0 "[ . 1 . 2]" 1
796 1 72 LYS HB3 1 72 LYS HE3 3.400 . 5.000 4.736 3.627 5.025 0.025 2 0 "[ . 1 . 2]" 1
797 1 72 LYS HB3 1 72 LYS HE2 3.400 . 5.000 4.316 4.037 4.816 . 0 0 "[ . 1 . 2]" 1
798 1 72 LYS HE3 1 72 LYS HG2 3.400 . 5.000 3.571 2.236 4.188 . 0 0 "[ . 1 . 2]" 1
799 1 72 LYS HG2 1 73 ASP H 3.400 . 5.000 3.715 2.288 5.105 0.105 14 0 "[ . 1 . 2]" 1
800 1 73 ASP H 1 73 ASP HB3 3.000 . 4.200 3.427 3.418 3.443 . 0 0 "[ . 1 . 2]" 1
801 1 73 ASP H 1 73 ASP HB2 3.300 . 4.800 2.190 2.148 2.226 . 0 0 "[ . 1 . 2]" 1
802 1 73 ASP H 1 74 ILE H 3.000 . 4.200 2.472 2.401 2.602 . 0 0 "[ . 1 . 2]" 1
803 1 73 ASP HA 1 74 ILE H 3.400 . 5.000 3.231 3.198 3.298 . 0 0 "[ . 1 . 2]" 1
804 1 73 ASP HB3 1 74 ILE H 3.400 . 5.000 4.025 3.942 4.060 . 0 0 "[ . 1 . 2]" 1
805 1 74 ILE H 1 74 ILE HB 3.000 . 4.200 2.494 2.464 2.521 . 0 0 "[ . 1 . 2]" 1
806 1 74 ILE H 1 74 ILE HG13 3.300 . 4.800 2.793 2.683 2.846 . 0 0 "[ . 1 . 2]" 1
807 1 74 ILE H 1 74 ILE MD 3.400 . 5.000 3.716 3.633 3.750 . 0 0 "[ . 1 . 2]" 1
808 1 74 ILE H 1 74 ILE MG 3.300 . 4.800 3.802 3.785 3.815 . 0 0 "[ . 1 . 2]" 1
809 1 74 ILE HA 1 74 ILE MD 3.100 . 4.400 3.838 3.829 3.849 . 0 0 "[ . 1 . 2]" 1
810 1 74 ILE HA 1 74 ILE MG 3.400 . 5.000 2.433 2.401 2.456 . 0 0 "[ . 1 . 2]" 1
811 1 74 ILE HA 1 75 SER H 2.900 . 4.000 2.160 2.147 2.174 . 0 0 "[ . 1 . 2]" 1
812 1 74 ILE HB 1 74 ILE MD 3.400 . 5.000 2.240 2.223 2.252 . 0 0 "[ . 1 . 2]" 1
813 1 74 ILE HB 1 75 SER H 3.400 . 5.000 4.101 4.073 4.135 . 0 0 "[ . 1 . 2]" 1
814 1 74 ILE MG 1 75 SER H 3.200 . 4.600 2.103 2.072 2.153 . 0 0 "[ . 1 . 2]" 1
815 1 74 ILE MG 1 75 SER HA 3.400 . 5.000 3.528 3.510 3.557 . 0 0 "[ . 1 . 2]" 1
816 1 75 SER H 1 75 SER HB3 3.400 . 5.000 3.224 3.111 3.265 . 0 0 "[ . 1 . 2]" 1
817 1 75 SER H 1 75 SER HB2 3.400 . 5.000 2.711 2.649 2.777 . 0 0 "[ . 1 . 2]" 1
818 1 75 SER HA 1 75 SER HB3 2.900 . 4.000 2.931 2.908 2.970 . 0 0 "[ . 1 . 2]" 1
819 1 76 PRO HA 1 77 ALA H 2.800 . 3.800 2.120 2.115 2.127 . 0 0 "[ . 1 . 2]" 1
820 1 76 PRO HB3 1 77 ALA H 3.400 . 5.000 3.661 3.627 3.685 . 0 0 "[ . 1 . 2]" 1
821 1 76 PRO HB2 1 77 ALA H 3.400 . 5.000 4.075 4.056 4.099 . 0 0 "[ . 1 . 2]" 1
822 1 77 ALA H 1 77 ALA MB 2.900 . 4.000 2.189 2.069 2.242 . 0 0 "[ . 1 . 2]" 1
823 1 77 ALA HA 1 78 ALA H 3.100 . 4.400 2.890 2.134 3.581 . 0 0 "[ . 1 . 2]" 1
824 1 77 ALA MB 1 78 ALA H 3.300 . 4.800 2.804 1.968 3.557 . 0 0 "[ . 1 . 2]" 1
825 1 77 ALA MB 1 78 ALA HA 3.400 . 5.000 4.039 3.744 4.152 . 0 0 "[ . 1 . 2]" 1
826 1 78 ALA H 1 78 ALA MB 3.100 . 4.400 2.588 2.242 2.997 . 0 0 "[ . 1 . 2]" 1
827 1 78 ALA HA 1 79 LEU H 3.000 . 4.200 2.827 2.139 3.586 . 0 0 "[ . 1 . 2]" 1
828 1 78 ALA MB 1 79 LEU H 3.400 . 5.000 2.830 2.350 3.668 . 0 0 "[ . 1 . 2]" 1
829 2 2 THR HA 2 3 GLY H 3.400 . 5.000 2.527 2.123 3.567 . 0 0 "[ . 1 . 2]" 1
830 2 4 GLY H 2 5 VAL MG1 3.400 . 5.600 3.893 3.157 4.536 . 0 0 "[ . 1 . 2]" 1
831 2 4 GLY HA2 2 5 VAL H 3.000 . 4.200 2.729 2.132 3.558 . 0 0 "[ . 1 . 2]" 1
832 2 4 GLY HA3 2 5 VAL H 2.900 . 4.000 3.293 2.461 3.565 . 0 0 "[ . 1 . 2]" 1
833 2 5 VAL H 2 5 VAL HB 3.000 . 4.200 3.321 2.642 4.065 . 0 0 "[ . 1 . 2]" 1
834 2 5 VAL H 2 5 VAL MG1 2.900 . 4.000 2.727 2.214 3.381 . 0 0 "[ . 1 . 2]" 1
835 2 5 VAL HA 2 5 VAL MG1 3.000 . 4.200 2.780 2.181 3.256 . 0 0 "[ . 1 . 2]" 1
836 2 8 PRO HD3 2 8 PRO HG3 2.900 . 4.000 2.356 2.349 2.367 . 0 0 "[ . 1 . 2]" 1
837 2 9 HIS H 2 9 HIS HB3 3.400 . 5.000 2.249 1.968 3.145 . 0 0 "[ . 1 . 2]" 1
838 2 9 HIS HA 2 9 HIS HD2 3.400 . 5.000 4.834 4.445 5.004 0.004 13 0 "[ . 1 . 2]" 1
839 2 9 HIS HA 2 10 ARG H 3.300 . 4.800 2.753 2.130 3.587 . 0 0 "[ . 1 . 2]" 1
840 2 9 HIS HB3 2 9 HIS HD2 3.000 . 4.200 2.796 2.617 3.359 . 0 0 "[ . 1 . 2]" 1
841 2 9 HIS HB3 2 9 HIS HE1 3.400 . 5.200 5.257 5.059 5.316 0.116 15 0 "[ . 1 . 2]" 1
842 2 10 ARG HA 2 10 ARG HG3 2.600 . 3.400 2.629 2.246 3.575 0.175 12 0 "[ . 1 . 2]" 1
843 2 10 ARG HA 2 11 TYR H 2.800 . 3.800 2.816 2.118 3.592 . 0 0 "[ . 1 . 2]" 1
844 2 10 ARG HB3 2 10 ARG HD3 3.200 . 4.600 2.928 2.327 4.116 . 0 0 "[ . 1 . 2]" 1
845 2 10 ARG HB3 2 11 TYR H 3.400 . 5.000 3.616 2.467 4.352 . 0 0 "[ . 1 . 2]" 1
846 2 10 ARG HB2 2 10 ARG HD3 3.100 . 4.400 2.979 2.309 4.190 . 0 0 "[ . 1 . 2]" 1
847 2 10 ARG HB2 2 11 TYR H 3.400 . 5.000 3.915 2.753 4.670 . 0 0 "[ . 1 . 2]" 1
848 2 10 ARG HD3 2 10 ARG HG3 3.000 . 4.200 2.814 2.545 3.015 . 0 0 "[ . 1 . 2]" 1
849 2 10 ARG HG3 2 11 TYR H 3.400 . 5.000 4.760 4.331 5.047 0.047 16 0 "[ . 1 . 2]" 1
850 2 11 TYR H 2 11 TYR HB3 3.100 . 4.400 3.388 2.724 4.093 . 0 0 "[ . 1 . 2]" 1
851 2 11 TYR H 2 11 TYR HB2 3.400 . 5.000 2.977 2.237 3.999 . 0 0 "[ . 1 . 2]" 1
852 2 11 TYR H 2 11 TYR HD1 3.400 . 5.000 4.310 2.305 5.415 0.415 3 0 "[ . 1 . 2]" 1
853 2 11 TYR HA 2 11 TYR HD1 3.300 . 4.800 3.554 2.806 4.334 . 0 0 "[ . 1 . 2]" 1
854 2 11 TYR HB3 2 11 TYR HD1 3.100 . 4.400 3.220 2.445 3.727 . 0 0 "[ . 1 . 2]" 1
855 2 11 TYR HB2 2 11 TYR HD1 3.200 . 4.600 2.968 2.436 3.741 . 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 30
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 201.433
_Distance_constraint_stats_list.Viol_max 1.604
_Distance_constraint_stats_list.Viol_rms 0.1069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1158
_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 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.917 0.133 14 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.461 0.057 20 0 "[ . 1 . 2]"
1 37 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.461 0.057 20 0 "[ . 1 . 2]"
1 45 GLY 0.917 0.133 14 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.015 0.015 20 0 "[ . 1 . 2]"
1 51 ASP 0.050 0.026 20 0 "[ . 1 . 2]"
1 56 VAL 0.050 0.026 20 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.015 0.015 20 0 "[ . 1 . 2]"
1 59 VAL 0.718 0.085 1 0 "[ . 1 . 2]"
1 61 PHE 0.007 0.007 1 0 "[ . 1 . 2]"
1 62 GLU 7.903 1.604 15 5 "[ .* * 1 + * -]"
1 65 SER 0.007 0.007 1 0 "[ . 1 . 2]"
1 67 PHE 0.718 0.085 1 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LYS 7.903 1.604 15 5 "[ .* * 1 + * -]"
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 31 GLN O 1 47 ILE H 2.100 . 2.400 2.027 1.922 2.209 . 0 0 "[ . 1 . 2]" 2
2 1 31 GLN O 1 47 ILE N 2.600 . 3.400 2.885 2.820 2.966 . 0 0 "[ . 1 . 2]" 2
3 1 33 VAL H 1 45 GLY O 2.100 . 2.400 1.754 1.667 1.793 0.133 14 0 "[ . 1 . 2]" 2
4 1 33 VAL N 1 45 GLY O 2.600 . 3.400 2.641 2.608 2.658 . 0 0 "[ . 1 . 2]" 2
5 1 33 VAL O 1 45 GLY H 2.100 . 2.400 1.972 1.832 2.118 . 0 0 "[ . 1 . 2]" 2
6 1 33 VAL O 1 45 GLY N 2.600 . 3.400 2.903 2.785 3.089 . 0 0 "[ . 1 . 2]" 2
7 1 34 LEU H 1 75 SER O 2.100 . 2.400 2.239 2.151 2.348 . 0 0 "[ . 1 . 2]" 2
8 1 34 LEU N 1 75 SER O 2.600 . 3.400 2.803 2.758 2.890 . 0 0 "[ . 1 . 2]" 2
9 1 34 LEU O 1 75 SER H 2.100 . 2.400 1.995 1.949 2.051 . 0 0 "[ . 1 . 2]" 2
10 1 34 LEU O 1 75 SER N 2.600 . 3.400 2.798 2.763 2.863 . 0 0 "[ . 1 . 2]" 2
11 1 35 ALA H 1 43 TYR O 2.100 . 2.400 1.895 1.843 1.956 . 0 0 "[ . 1 . 2]" 2
12 1 35 ALA N 1 43 TYR O 2.600 . 3.400 2.718 2.689 2.744 . 0 0 "[ . 1 . 2]" 2
13 1 35 ALA O 1 43 TYR H 2.100 . 2.400 2.423 2.406 2.457 0.057 20 0 "[ . 1 . 2]" 2
14 1 35 ALA O 1 43 TYR N 2.600 . 3.400 2.942 2.879 2.998 . 0 0 "[ . 1 . 2]" 2
15 1 37 TRP H 1 41 LEU O 2.100 . 2.400 2.055 1.874 2.384 . 0 0 "[ . 1 . 2]" 2
16 1 37 TRP N 1 41 LEU O 2.600 . 3.400 2.945 2.785 3.308 . 0 0 "[ . 1 . 2]" 2
17 1 49 LYS H 1 58 LEU O 2.100 . 2.400 1.939 1.785 2.006 0.015 20 0 "[ . 1 . 2]" 2
18 1 49 LYS N 1 58 LEU O 2.600 . 3.400 2.907 2.733 2.983 . 0 0 "[ . 1 . 2]" 2
19 1 51 ASP H 1 56 VAL O 2.100 . 2.400 1.808 1.774 1.837 0.026 20 0 "[ . 1 . 2]" 2
20 1 51 ASP N 1 56 VAL O 2.600 . 3.400 2.618 2.603 2.638 . 0 0 "[ . 1 . 2]" 2
21 1 57 CYS H 1 69 VAL O 2.100 . 2.400 2.013 1.961 2.101 . 0 0 "[ . 1 . 2]" 2
22 1 57 CYS N 1 69 VAL O 2.600 . 3.400 2.944 2.868 3.018 . 0 0 "[ . 1 . 2]" 2
23 1 57 CYS O 1 69 VAL H 2.100 . 2.400 2.112 1.900 2.218 . 0 0 "[ . 1 . 2]" 2
24 1 57 CYS O 1 69 VAL N 2.600 . 3.400 3.046 2.868 3.126 . 0 0 "[ . 1 . 2]" 2
25 1 59 VAL O 1 67 PHE H 2.100 . 2.400 2.436 2.416 2.485 0.085 1 0 "[ . 1 . 2]" 2
26 1 59 VAL O 1 67 PHE N 2.600 . 3.400 3.330 3.305 3.404 0.004 10 0 "[ . 1 . 2]" 2
27 1 61 PHE H 1 65 SER O 2.100 . 2.400 2.040 1.793 2.269 0.007 1 0 "[ . 1 . 2]" 2
28 1 61 PHE N 1 65 SER O 2.600 . 3.400 2.862 2.701 2.982 . 0 0 "[ . 1 . 2]" 2
29 1 62 GLU OE2 2 7 LYS QZ 2.100 . 2.400 2.091 1.510 3.450 1.050 15 2 "[ . 1 + -]" 2
30 1 62 GLU OE2 2 7 LYS NZ 2.600 . 2.900 2.971 2.539 4.504 1.604 15 5 "[ .* * 1 + - *]" 2
stop_
save_
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