NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560073 |
2lq9   |
18299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq9
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 714
_Distance_constraint_stats_list.Viol_count 785
_Distance_constraint_stats_list.Viol_total 604.289
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0385
_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 2 PRO 0.041 0.030 19 0 "[ . 1 . 2]"
1 3 LYS 0.014 0.014 11 0 "[ . 1 . 2]"
1 4 HIS 0.935 0.088 7 0 "[ . 1 . 2]"
1 5 GLU 0.206 0.037 3 0 "[ . 1 . 2]"
1 6 PHE 1.571 0.107 19 0 "[ . 1 . 2]"
1 7 SER 0.129 0.023 11 0 "[ . 1 . 2]"
1 8 VAL 0.495 0.044 11 0 "[ . 1 . 2]"
1 9 ASP 0.075 0.027 4 0 "[ . 1 . 2]"
1 10 MET 0.255 0.038 13 0 "[ . 1 . 2]"
1 12 CYS 2.529 0.137 16 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.351 0.055 11 0 "[ . 1 . 2]"
1 16 ALA 3.266 0.137 16 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.002 0.002 10 0 "[ . 1 . 2]"
1 20 SER 0.259 0.075 10 0 "[ . 1 . 2]"
1 21 ARG 0.027 0.014 17 0 "[ . 1 . 2]"
1 22 VAL 0.415 0.051 15 0 "[ . 1 . 2]"
1 23 LEU 0.511 0.099 18 0 "[ . 1 . 2]"
1 24 ASN 0.075 0.051 18 0 "[ . 1 . 2]"
1 25 LYS 0.117 0.048 13 0 "[ . 1 . 2]"
1 26 LEU 2.249 0.117 10 0 "[ . 1 . 2]"
1 27 GLY 0.006 0.006 12 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 2.430 0.180 10 0 "[ . 1 . 2]"
1 30 LYS 4.561 0.180 10 0 "[ . 1 . 2]"
1 31 TYR 1.086 0.090 13 0 "[ . 1 . 2]"
1 32 ASP 0.091 0.057 17 0 "[ . 1 . 2]"
1 33 ILE 0.820 0.198 4 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.362 0.036 4 0 "[ . 1 . 2]"
1 37 ASN 0.515 0.087 8 0 "[ . 1 . 2]"
1 38 LYS 0.362 0.040 14 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.373 0.083 10 0 "[ . 1 . 2]"
1 41 CYS 0.253 0.039 12 0 "[ . 1 . 2]"
1 42 ILE 2.578 0.259 3 0 "[ . 1 . 2]"
1 43 GLU 0.698 0.093 7 0 "[ . 1 . 2]"
1 44 SER 0.316 0.121 3 0 "[ . 1 . 2]"
1 45 GLU 3.156 0.102 8 0 "[ . 1 . 2]"
1 46 HIS 1.466 0.067 16 0 "[ . 1 . 2]"
1 47 SER 1.183 0.062 5 0 "[ . 1 . 2]"
1 48 MET 1.016 0.084 10 0 "[ . 1 . 2]"
1 49 ASP 0.263 0.044 19 0 "[ . 1 . 2]"
1 50 THR 3.057 0.107 19 0 "[ . 1 . 2]"
1 51 LEU 2.133 0.084 10 0 "[ . 1 . 2]"
1 52 LEU 2.732 0.099 18 0 "[ . 1 . 2]"
1 53 ALA 0.781 0.093 14 0 "[ . 1 . 2]"
1 54 THR 0.371 0.059 20 0 "[ . 1 . 2]"
1 55 LEU 1.733 0.070 19 0 "[ . 1 . 2]"
1 56 LYS 0.297 0.043 15 0 "[ . 1 . 2]"
1 57 LYS 0.997 0.119 11 0 "[ . 1 . 2]"
1 58 THR 1.875 0.097 9 0 "[ . 1 . 2]"
1 59 GLY 0.095 0.088 17 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.114 0.037 2 0 "[ . 1 . 2]"
1 62 VAL 0.842 0.178 2 0 "[ . 1 . 2]"
1 63 SER 0.060 0.026 5 0 "[ . 1 . 2]"
1 64 TYR 0.716 0.054 7 0 "[ . 1 . 2]"
1 65 LEU 0.301 0.054 7 0 "[ . 1 . 2]"
1 66 GLY 0.014 0.014 4 0 "[ . 1 . 2]"
1 67 LEU 0.021 0.011 6 0 "[ . 1 . 2]"
1 68 GLU 0.115 0.073 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 2 PRO HA 1 3 LYS H 2.200 . 2.500 2.252 2.190 2.346 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 44 SER H 5.000 . 6.000 5.276 3.817 5.995 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HB2 1 3 LYS H 3.500 . 4.500 3.307 2.870 3.791 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HB3 1 3 LYS H 3.500 . 4.500 3.614 3.074 3.914 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO QD 1 44 SER H 5.000 . 6.000 5.336 4.303 6.030 0.030 19 0 "[ . 1 . 2]" 1
6 1 2 PRO QG 1 3 LYS H 5.000 . 6.000 4.567 4.354 4.803 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS H 1 3 LYS HA 2.800 . 3.500 2.935 2.907 2.959 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS QB 2.800 . 3.500 2.629 2.336 3.130 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS H 1 3 LYS QD 3.500 . 4.500 3.799 2.015 4.430 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS H 1 3 LYS QE 5.000 . 6.000 4.345 3.616 5.385 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS H 1 4 HIS H 5.000 . 6.000 4.527 4.362 4.612 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS H 1 43 GLU HA 5.000 . 6.000 5.166 4.861 5.421 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS H 1 67 LEU QD 5.000 . 6.000 4.508 2.962 5.829 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 68 GLU H 3.500 . 4.500 4.112 3.190 4.514 0.014 11 0 "[ . 1 . 2]" 1
15 1 3 LYS HA 1 4 HIS H 2.200 . 2.500 2.233 2.148 2.288 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS QB 1 4 HIS H 3.500 . 4.500 2.932 2.772 3.294 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS QB 1 42 ILE H 5.000 . 6.000 5.218 4.754 5.958 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS QB 1 43 GLU HA 5.000 . 6.000 3.955 3.377 4.633 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS QD 1 4 HIS H 5.000 . 6.000 5.033 4.080 5.514 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS QG 1 4 HIS H 5.000 . 6.000 4.100 3.615 4.483 . 0 0 "[ . 1 . 2]" 1
21 1 4 HIS H 1 4 HIS QB 3.500 . 4.500 2.480 2.338 2.661 . 0 0 "[ . 1 . 2]" 1
22 1 4 HIS H 1 4 HIS HD1 5.000 . 6.000 4.344 3.430 4.565 . 0 0 "[ . 1 . 2]" 1
23 1 4 HIS H 1 41 CYS HA 5.000 . 6.000 5.305 4.669 5.695 . 0 0 "[ . 1 . 2]" 1
24 1 4 HIS H 1 42 ILE H 3.500 . 4.500 3.946 3.614 4.341 . 0 0 "[ . 1 . 2]" 1
25 1 4 HIS H 1 42 ILE HB 5.000 . 6.000 6.035 5.890 6.088 0.088 7 0 "[ . 1 . 2]" 1
26 1 4 HIS H 1 42 ILE MD 5.000 . 6.000 5.239 3.744 5.899 . 0 0 "[ . 1 . 2]" 1
27 1 4 HIS H 1 43 GLU HA 3.500 . 4.500 2.336 1.883 2.750 . 0 0 "[ . 1 . 2]" 1
28 1 4 HIS HA 1 5 GLU H 2.200 . 2.500 2.173 2.147 2.222 . 0 0 "[ . 1 . 2]" 1
29 1 4 HIS HA 1 67 LEU H 5.000 . 6.000 5.766 5.087 6.011 0.011 6 0 "[ . 1 . 2]" 1
30 1 4 HIS HA 1 68 GLU H 5.000 . 6.000 3.799 2.844 4.774 . 0 0 "[ . 1 . 2]" 1
31 1 4 HIS QB 1 5 GLU H 5.000 . 6.000 3.562 3.018 3.777 . 0 0 "[ . 1 . 2]" 1
32 1 4 HIS QB 1 42 ILE HB 5.000 . 6.000 5.193 4.924 5.684 . 0 0 "[ . 1 . 2]" 1
33 1 4 HIS QB 1 67 LEU QD 5.000 . 6.000 3.485 2.449 4.579 . 0 0 "[ . 1 . 2]" 1
34 1 4 HIS HD1 1 5 GLU H 3.500 . 4.500 2.726 1.785 4.213 0.015 8 0 "[ . 1 . 2]" 1
35 1 4 HIS HD1 1 42 ILE MD 5.000 . 6.000 4.820 3.725 5.700 . 0 0 "[ . 1 . 2]" 1
36 1 4 HIS HD1 1 44 SER H 5.000 . 6.000 4.865 2.193 6.020 0.020 11 0 "[ . 1 . 2]" 1
37 1 4 HIS HD1 1 51 LEU H 5.000 . 6.000 5.376 4.538 6.037 0.037 13 0 "[ . 1 . 2]" 1
38 1 4 HIS HD1 1 66 GLY H 5.000 . 6.000 4.400 3.321 6.014 0.014 4 0 "[ . 1 . 2]" 1
39 1 4 HIS HD1 1 67 LEU H 5.000 . 6.000 5.010 4.290 5.839 . 0 0 "[ . 1 . 2]" 1
40 1 4 HIS HD1 1 68 GLU H 5.000 . 6.000 4.530 3.079 5.923 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLU H 1 5 GLU HA 2.800 . 3.500 2.955 2.945 2.960 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU H 1 5 GLU HB2 3.500 . 4.500 2.644 2.362 3.675 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU H 1 5 GLU HB3 3.500 . 4.500 3.607 3.124 3.768 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLU H 1 5 GLU HG2 5.000 . 6.000 3.817 1.923 4.685 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLU H 1 5 GLU HG3 5.000 . 6.000 3.067 2.001 4.615 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU H 1 6 PHE QD 5.000 . 6.000 4.239 3.546 5.488 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLU H 1 64 TYR QD 5.000 . 6.000 5.957 5.682 6.037 0.037 3 0 "[ . 1 . 2]" 1
48 1 5 GLU H 1 65 LEU H 5.000 . 6.000 4.990 4.372 5.953 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU H 1 65 LEU QB 5.000 . 6.000 4.238 3.659 5.165 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLU H 1 65 LEU QD 5.000 . 6.000 4.773 4.207 5.597 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU H 1 66 GLY H 5.000 . 6.000 4.043 3.520 4.704 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLU H 1 68 GLU H 5.000 . 6.000 4.701 3.186 5.223 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU HA 1 6 PHE H 2.200 . 2.500 2.158 2.144 2.182 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU HA 1 42 ILE H 3.500 . 4.500 3.442 2.823 4.242 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLU HA 1 65 LEU QD 5.000 . 6.000 4.292 3.628 5.625 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU QB 1 65 LEU QD 5.000 . 6.000 2.493 1.977 3.653 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU HB2 1 6 PHE H 3.500 . 4.500 4.122 3.274 4.471 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLU HB3 1 6 PHE H 3.500 . 4.500 3.390 3.185 4.109 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLU HG2 1 6 PHE H 5.000 . 6.000 4.568 3.605 5.508 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLU HG3 1 6 PHE H 5.000 . 6.000 4.706 3.962 5.315 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE H 1 6 PHE HB2 3.500 . 4.500 2.685 2.481 3.896 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE H 1 6 PHE HB3 3.500 . 4.500 3.400 3.095 3.642 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE H 1 6 PHE QD 3.500 . 4.500 3.783 3.153 4.364 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE H 1 7 SER H 5.000 . 6.000 4.374 4.311 4.450 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE H 1 41 CYS HA 3.500 . 4.500 3.369 2.832 3.948 . 0 0 "[ . 1 . 2]" 1
66 1 6 PHE H 1 42 ILE H 5.000 . 6.000 4.131 3.799 4.654 . 0 0 "[ . 1 . 2]" 1
67 1 6 PHE H 1 55 LEU QD 5.000 . 6.000 5.129 4.304 5.788 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE H 1 65 LEU QD 5.000 . 6.000 3.776 2.943 5.071 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE H 1 65 LEU HG 5.000 . 6.000 5.313 4.393 5.862 . 0 0 "[ . 1 . 2]" 1
70 1 6 PHE HA 1 7 SER H 2.200 . 2.500 2.214 2.195 2.272 . 0 0 "[ . 1 . 2]" 1
71 1 6 PHE HA 1 65 LEU H 2.800 . 3.500 3.042 2.477 3.505 0.005 11 0 "[ . 1 . 2]" 1
72 1 6 PHE HA 1 66 GLY H 5.000 . 6.000 4.793 4.393 5.216 . 0 0 "[ . 1 . 2]" 1
73 1 6 PHE QB 1 40 VAL QG 5.000 . 6.000 3.701 2.724 4.938 . 0 0 "[ . 1 . 2]" 1
74 1 6 PHE QB 1 50 THR MG 5.000 . 6.000 6.066 6.028 6.107 0.107 19 0 "[ . 1 . 2]" 1
75 1 6 PHE QB 1 51 LEU H 5.000 . 6.000 5.873 5.513 6.073 0.073 2 0 "[ . 1 . 2]" 1
76 1 6 PHE QB 1 63 SER H 5.000 . 6.000 4.406 3.109 5.002 . 0 0 "[ . 1 . 2]" 1
77 1 6 PHE HB2 1 7 SER H 3.500 . 4.500 4.269 2.914 4.384 . 0 0 "[ . 1 . 2]" 1
78 1 6 PHE HB2 1 40 VAL H 5.000 . 6.000 5.290 4.676 5.895 . 0 0 "[ . 1 . 2]" 1
79 1 6 PHE HB3 1 7 SER H 3.500 . 4.500 3.367 3.082 4.112 . 0 0 "[ . 1 . 2]" 1
80 1 6 PHE HB3 1 40 VAL H 5.000 . 6.000 4.897 4.315 6.083 0.083 10 0 "[ . 1 . 2]" 1
81 1 6 PHE QD 1 7 SER H 5.000 . 6.000 3.352 2.197 3.971 . 0 0 "[ . 1 . 2]" 1
82 1 6 PHE QD 1 42 ILE MD 5.000 . 6.000 5.680 4.276 6.011 0.011 20 0 "[ . 1 . 2]" 1
83 1 6 PHE QD 1 52 LEU H 5.000 . 6.000 4.940 4.215 5.990 . 0 0 "[ . 1 . 2]" 1
84 1 6 PHE QD 1 64 TYR H 5.000 . 6.000 5.001 3.954 5.931 . 0 0 "[ . 1 . 2]" 1
85 1 6 PHE QD 1 65 LEU H 5.000 . 6.000 3.917 3.274 5.778 . 0 0 "[ . 1 . 2]" 1
86 1 7 SER H 1 7 SER HA 2.800 . 3.500 2.954 2.940 2.962 . 0 0 "[ . 1 . 2]" 1
87 1 7 SER H 1 7 SER QB 2.800 . 3.500 2.500 2.239 3.026 . 0 0 "[ . 1 . 2]" 1
88 1 7 SER H 1 8 VAL H 5.000 . 6.000 4.294 4.206 4.382 . 0 0 "[ . 1 . 2]" 1
89 1 7 SER H 1 62 VAL MG1 5.000 . 6.000 5.466 4.110 6.023 0.023 2 0 "[ . 1 . 2]" 1
90 1 7 SER H 1 62 VAL MG2 5.000 . 6.000 4.955 3.613 6.023 0.023 11 0 "[ . 1 . 2]" 1
91 1 7 SER H 1 63 SER H 3.500 . 4.500 3.188 2.801 3.572 . 0 0 "[ . 1 . 2]" 1
92 1 7 SER H 1 64 TYR HA 5.000 . 6.000 3.880 3.229 4.773 . 0 0 "[ . 1 . 2]" 1
93 1 7 SER H 1 65 LEU H 5.000 . 6.000 4.111 3.343 4.658 . 0 0 "[ . 1 . 2]" 1
94 1 7 SER H 1 65 LEU MD1 5.000 . 6.000 3.452 2.467 4.829 . 0 0 "[ . 1 . 2]" 1
95 1 7 SER H 1 65 LEU HG 3.500 . 4.500 3.449 2.755 4.412 . 0 0 "[ . 1 . 2]" 1
96 1 7 SER HA 1 8 VAL H 2.200 . 2.500 2.154 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
97 1 7 SER HA 1 40 VAL H 3.500 . 4.500 3.482 2.639 4.336 . 0 0 "[ . 1 . 2]" 1
98 1 7 SER HA 1 40 VAL QG 5.000 . 6.000 4.283 3.228 5.115 . 0 0 "[ . 1 . 2]" 1
99 1 7 SER QB 1 8 VAL H 5.000 . 6.000 3.648 3.306 3.899 . 0 0 "[ . 1 . 2]" 1
100 1 7 SER QB 1 62 VAL QG 5.000 . 6.000 5.160 4.608 5.722 . 0 0 "[ . 1 . 2]" 1
101 1 7 SER QB 1 65 LEU QD 5.000 . 6.000 2.496 2.002 3.503 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL H 1 8 VAL HA 2.800 . 3.500 2.954 2.951 2.957 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL H 1 8 VAL HB 2.800 . 3.500 3.138 2.637 3.500 0.000 5 0 "[ . 1 . 2]" 1
104 1 8 VAL H 1 9 ASP H 5.000 . 6.000 4.295 4.193 4.378 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL H 1 38 LYS HB2 5.000 . 6.000 5.921 5.464 6.040 0.040 14 0 "[ . 1 . 2]" 1
106 1 8 VAL H 1 38 LYS HB3 5.000 . 6.000 5.851 5.449 6.035 0.035 12 0 "[ . 1 . 2]" 1
107 1 8 VAL H 1 39 LYS HA 3.500 . 4.500 3.271 2.673 4.105 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL H 1 40 VAL H 5.000 . 6.000 3.886 3.460 4.384 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL HA 1 9 ASP H 2.200 . 2.500 2.160 2.137 2.190 . 0 0 "[ . 1 . 2]" 1
110 1 8 VAL HA 1 62 VAL QG 5.000 . 6.000 3.826 3.393 4.036 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL HA 1 63 SER H 3.500 . 4.500 3.703 3.245 4.078 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL HB 1 9 ASP H 5.000 . 6.000 4.217 4.031 4.386 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL HB 1 40 VAL MG1 5.000 . 6.000 5.640 4.507 6.018 0.018 20 0 "[ . 1 . 2]" 1
114 1 8 VAL HB 1 40 VAL MG2 5.000 . 6.000 3.972 2.322 4.738 . 0 0 "[ . 1 . 2]" 1
115 1 8 VAL QG 1 10 MET HA 5.000 . 6.000 3.388 3.170 3.522 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL QG 1 12 CYS QB 5.000 . 6.000 5.992 5.887 6.044 0.044 11 0 "[ . 1 . 2]" 1
117 1 8 VAL QG 1 38 LYS QB 5.000 . 6.000 4.771 4.293 5.678 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL QG 1 40 VAL QG 5.000 . 6.000 2.134 1.826 2.984 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL QG 1 42 ILE MG 5.000 . 6.000 5.560 5.059 5.991 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL QG 1 60 ALA H 5.000 . 6.000 4.342 3.944 4.665 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL QG 1 60 ALA MB 5.000 . 6.000 1.995 1.815 2.194 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL QG 1 61 THR H 5.000 . 6.000 3.623 3.209 3.973 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL MG1 1 9 ASP H 5.000 . 6.000 3.846 2.611 4.321 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL MG2 1 9 ASP H 5.000 . 6.000 2.615 2.115 3.993 . 0 0 "[ . 1 . 2]" 1
125 1 9 ASP H 1 9 ASP HA 2.800 . 3.500 2.899 2.881 2.924 . 0 0 "[ . 1 . 2]" 1
126 1 9 ASP H 1 9 ASP HB2 3.500 . 4.500 2.206 2.117 2.400 . 0 0 "[ . 1 . 2]" 1
127 1 9 ASP H 1 9 ASP HB3 3.500 . 4.500 3.110 2.758 3.414 . 0 0 "[ . 1 . 2]" 1
128 1 9 ASP H 1 60 ALA MB 5.000 . 6.000 3.790 3.368 4.331 . 0 0 "[ . 1 . 2]" 1
129 1 9 ASP H 1 61 THR H 5.000 . 6.000 3.896 3.526 4.194 . 0 0 "[ . 1 . 2]" 1
130 1 9 ASP H 1 61 THR HB 5.000 . 6.000 3.723 2.753 5.024 . 0 0 "[ . 1 . 2]" 1
131 1 9 ASP H 1 61 THR MG 5.000 . 6.000 4.184 2.016 5.241 . 0 0 "[ . 1 . 2]" 1
132 1 9 ASP H 1 62 VAL HA 3.500 . 4.500 4.381 3.995 4.527 0.027 4 0 "[ . 1 . 2]" 1
133 1 9 ASP HB2 1 61 THR H 3.500 . 4.500 4.258 3.744 4.521 0.021 4 0 "[ . 1 . 2]" 1
134 1 9 ASP HB3 1 61 THR H 3.500 . 4.500 4.036 3.353 4.500 . 8 0 "[ . 1 . 2]" 1
135 1 10 MET H 1 10 MET HA 2.800 . 3.500 2.849 2.831 2.917 . 0 0 "[ . 1 . 2]" 1
136 1 10 MET H 1 10 MET QB 3.500 . 4.500 2.433 2.118 2.878 . 0 0 "[ . 1 . 2]" 1
137 1 10 MET H 1 10 MET HG2 5.000 . 6.000 3.040 1.815 4.404 . 0 0 "[ . 1 . 2]" 1
138 1 10 MET H 1 10 MET HG3 5.000 . 6.000 2.960 1.887 4.635 . 0 0 "[ . 1 . 2]" 1
139 1 10 MET HA 1 40 VAL QG 5.000 . 6.000 5.960 5.672 6.038 0.038 13 0 "[ . 1 . 2]" 1
140 1 10 MET HA 1 61 THR H 5.000 . 6.000 5.916 5.610 6.019 0.019 20 0 "[ . 1 . 2]" 1
141 1 12 CYS H 1 12 CYS HA 2.800 . 3.500 2.945 2.930 2.952 . 0 0 "[ . 1 . 2]" 1
142 1 12 CYS H 1 17 GLU H 5.000 . 6.000 5.645 5.486 5.807 . 0 0 "[ . 1 . 2]" 1
143 1 12 CYS HA 1 15 CYS H 2.800 . 3.500 3.517 3.490 3.555 0.055 11 0 "[ . 1 . 2]" 1
144 1 12 CYS HA 1 16 ALA H 2.800 . 3.500 3.597 3.567 3.637 0.137 16 0 "[ . 1 . 2]" 1
145 1 12 CYS HA 1 17 GLU H 5.000 . 6.000 5.836 5.766 5.955 . 0 0 "[ . 1 . 2]" 1
146 1 14 GLY QA 1 15 CYS H 3.500 . 4.500 2.597 2.572 2.631 . 0 0 "[ . 1 . 2]" 1
147 1 15 CYS H 1 15 CYS HA 2.800 . 3.500 2.906 2.894 2.911 . 0 0 "[ . 1 . 2]" 1
148 1 15 CYS H 1 15 CYS HB2 2.800 . 3.500 2.522 2.110 3.235 . 0 0 "[ . 1 . 2]" 1
149 1 15 CYS H 1 15 CYS HB3 2.800 . 3.500 3.293 3.059 3.487 . 0 0 "[ . 1 . 2]" 1
150 1 15 CYS H 1 16 ALA H 3.500 . 4.500 2.418 2.371 2.480 . 0 0 "[ . 1 . 2]" 1
151 1 15 CYS H 1 16 ALA MB 5.000 . 6.000 4.033 3.991 4.085 . 0 0 "[ . 1 . 2]" 1
152 1 15 CYS HA 1 16 ALA H 3.500 . 4.500 3.561 3.546 3.570 . 0 0 "[ . 1 . 2]" 1
153 1 15 CYS HA 1 18 ALA H 3.500 . 4.500 3.326 3.212 3.406 . 0 0 "[ . 1 . 2]" 1
154 1 15 CYS HA 1 19 VAL H 5.000 . 6.000 4.349 4.013 4.549 . 0 0 "[ . 1 . 2]" 1
155 1 15 CYS HB2 1 16 ALA H 3.500 . 4.500 3.049 2.756 3.448 . 0 0 "[ . 1 . 2]" 1
156 1 15 CYS HB3 1 16 ALA H 3.500 . 4.500 3.314 2.765 4.109 . 0 0 "[ . 1 . 2]" 1
157 1 16 ALA H 1 16 ALA HA 2.800 . 3.500 2.792 2.783 2.802 . 0 0 "[ . 1 . 2]" 1
158 1 16 ALA H 1 16 ALA MB 2.800 . 3.500 2.159 2.052 2.242 . 0 0 "[ . 1 . 2]" 1
159 1 16 ALA H 1 17 GLU H 3.500 . 4.500 2.740 2.707 2.765 . 0 0 "[ . 1 . 2]" 1
160 1 16 ALA HA 1 19 VAL H 3.500 . 4.500 3.310 3.163 3.470 . 0 0 "[ . 1 . 2]" 1
161 1 16 ALA HA 1 20 SER H 3.500 . 4.500 4.439 4.202 4.536 0.036 16 0 "[ . 1 . 2]" 1
162 1 16 ALA HA 1 58 THR H 3.500 . 4.500 4.558 4.520 4.597 0.097 9 0 "[ . 1 . 2]" 1
163 1 16 ALA MB 1 17 GLU H 3.500 . 4.500 2.730 2.671 2.791 . 0 0 "[ . 1 . 2]" 1
164 1 17 GLU H 1 17 GLU HA 2.800 . 3.500 2.832 2.819 2.862 . 0 0 "[ . 1 . 2]" 1
165 1 17 GLU H 1 17 GLU HB2 3.500 . 4.500 2.659 2.144 2.869 . 0 0 "[ . 1 . 2]" 1
166 1 17 GLU H 1 17 GLU HB3 3.500 . 4.500 2.495 2.253 3.481 . 0 0 "[ . 1 . 2]" 1
167 1 17 GLU H 1 17 GLU QG 3.500 . 4.500 3.879 2.831 4.049 . 0 0 "[ . 1 . 2]" 1
168 1 17 GLU H 1 18 ALA H 3.500 . 4.500 2.671 2.542 2.714 . 0 0 "[ . 1 . 2]" 1
169 1 17 GLU H 1 19 VAL H 5.000 . 6.000 3.838 3.805 3.899 . 0 0 "[ . 1 . 2]" 1
170 1 17 GLU QB 1 33 ILE MG 5.000 . 6.000 5.515 4.040 6.000 . 0 0 "[ . 1 . 2]" 1
171 1 17 GLU HB2 1 18 ALA H 3.500 . 4.500 3.816 2.747 4.001 . 0 0 "[ . 1 . 2]" 1
172 1 17 GLU HB3 1 18 ALA H 3.500 . 4.500 2.643 2.489 3.172 . 0 0 "[ . 1 . 2]" 1
173 1 17 GLU QG 1 18 ALA H 5.000 . 6.000 3.528 2.957 4.499 . 0 0 "[ . 1 . 2]" 1
174 1 18 ALA H 1 18 ALA HA 2.800 . 3.500 2.848 2.831 2.869 . 0 0 "[ . 1 . 2]" 1
175 1 18 ALA H 1 19 VAL H 2.800 . 3.500 2.506 2.437 2.557 . 0 0 "[ . 1 . 2]" 1
176 1 18 ALA H 1 19 VAL QG 5.000 . 6.000 4.177 3.919 4.561 . 0 0 "[ . 1 . 2]" 1
177 1 18 ALA H 1 21 ARG QD 5.000 . 6.000 5.310 4.630 5.976 . 0 0 "[ . 1 . 2]" 1
178 1 18 ALA HA 1 19 VAL H 3.500 . 4.500 3.481 3.466 3.503 . 0 0 "[ . 1 . 2]" 1
179 1 18 ALA HA 1 21 ARG H 3.500 . 4.500 3.523 3.437 3.645 . 0 0 "[ . 1 . 2]" 1
180 1 18 ALA MB 1 19 VAL H 3.500 . 4.500 2.793 2.685 2.883 . 0 0 "[ . 1 . 2]" 1
181 1 18 ALA MB 1 20 SER H 5.000 . 6.000 4.548 4.490 4.604 . 0 0 "[ . 1 . 2]" 1
182 1 18 ALA MB 1 22 VAL QG 5.000 . 6.000 4.309 3.485 5.394 . 0 0 "[ . 1 . 2]" 1
183 1 19 VAL H 1 19 VAL HA 2.800 . 3.500 2.825 2.802 2.844 . 0 0 "[ . 1 . 2]" 1
184 1 19 VAL H 1 19 VAL HB 2.800 . 3.500 2.276 2.099 2.394 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL H 1 19 VAL QG 3.500 . 4.500 2.513 2.351 2.829 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL H 1 20 SER H 2.800 . 3.500 2.628 2.559 2.686 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL H 1 58 THR MG 5.000 . 6.000 4.162 3.869 4.509 . 0 0 "[ . 1 . 2]" 1
188 1 19 VAL HA 1 20 SER H 5.000 . 6.000 3.526 3.514 3.533 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL HA 1 22 VAL H 5.000 . 6.000 3.390 3.214 3.566 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL HA 1 22 VAL QG 5.000 . 6.000 2.498 2.066 3.552 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL HA 1 23 LEU H 5.000 . 6.000 5.254 4.510 5.621 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL HA 1 58 THR MG 5.000 . 6.000 4.856 4.473 5.113 . 0 0 "[ . 1 . 2]" 1
193 1 19 VAL HB 1 20 SER H 2.800 . 3.500 2.825 2.718 3.052 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL QG 1 23 LEU QD 5.000 . 6.000 4.563 3.722 5.083 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL QG 1 40 VAL QG 5.000 . 6.000 5.431 4.995 6.002 0.002 10 0 "[ . 1 . 2]" 1
196 1 19 VAL QG 1 55 LEU MD1 5.000 . 6.000 4.056 2.768 5.517 . 0 0 "[ . 1 . 2]" 1
197 1 19 VAL QG 1 55 LEU MD2 5.000 . 6.000 4.620 2.920 5.715 . 0 0 "[ . 1 . 2]" 1
198 1 19 VAL QG 1 57 LYS H 5.000 . 6.000 3.269 3.069 3.599 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL QG 1 58 THR H 5.000 . 6.000 2.419 2.227 2.720 . 0 0 "[ . 1 . 2]" 1
200 1 19 VAL MG1 1 20 SER H 5.000 . 6.000 3.145 2.652 3.411 . 0 0 "[ . 1 . 2]" 1
201 1 19 VAL MG2 1 20 SER H 5.000 . 6.000 4.080 3.995 4.210 . 0 0 "[ . 1 . 2]" 1
202 1 20 SER H 1 20 SER HA 2.800 . 3.500 2.792 2.786 2.798 . 0 0 "[ . 1 . 2]" 1
203 1 20 SER H 1 20 SER QB 3.500 . 4.500 2.300 2.054 2.819 . 0 0 "[ . 1 . 2]" 1
204 1 20 SER H 1 21 ARG H 3.500 . 4.500 2.739 2.689 2.775 . 0 0 "[ . 1 . 2]" 1
205 1 20 SER H 1 22 VAL H 5.000 . 6.000 4.292 4.140 4.537 . 0 0 "[ . 1 . 2]" 1
206 1 20 SER H 1 57 LYS QB 5.000 . 6.000 5.912 5.659 6.075 0.075 10 0 "[ . 1 . 2]" 1
207 1 20 SER HA 1 21 ARG H 3.500 . 4.500 3.528 3.509 3.554 . 0 0 "[ . 1 . 2]" 1
208 1 20 SER QB 1 23 LEU H 5.000 . 6.000 4.698 4.459 4.968 . 0 0 "[ . 1 . 2]" 1
209 1 21 ARG H 1 21 ARG HA 2.800 . 3.500 2.810 2.793 2.845 . 0 0 "[ . 1 . 2]" 1
210 1 21 ARG H 1 21 ARG QB 3.500 . 4.500 2.428 2.174 2.613 . 0 0 "[ . 1 . 2]" 1
211 1 21 ARG H 1 21 ARG QD 5.000 . 6.000 3.758 3.213 4.111 . 0 0 "[ . 1 . 2]" 1
212 1 21 ARG H 1 21 ARG HG2 3.500 . 4.500 3.369 2.699 4.072 . 0 0 "[ . 1 . 2]" 1
213 1 21 ARG H 1 21 ARG HG3 3.500 . 4.500 2.230 1.786 2.843 0.014 17 0 "[ . 1 . 2]" 1
214 1 21 ARG H 1 22 VAL H 3.500 . 4.500 2.682 2.569 2.778 . 0 0 "[ . 1 . 2]" 1
215 1 21 ARG HA 1 24 ASN H 3.500 . 4.500 3.829 3.612 3.967 . 0 0 "[ . 1 . 2]" 1
216 1 21 ARG HA 1 24 ASN QB 5.000 . 6.000 4.392 3.762 5.051 . 0 0 "[ . 1 . 2]" 1
217 1 21 ARG HA 1 24 ASN QD 5.000 . 6.000 3.850 2.614 5.816 . 0 0 "[ . 1 . 2]" 1
218 1 21 ARG QB 1 22 VAL H 3.500 . 4.500 2.564 2.285 2.696 . 0 0 "[ . 1 . 2]" 1
219 1 21 ARG QG 1 22 VAL H 5.000 . 6.000 4.030 3.694 4.346 . 0 0 "[ . 1 . 2]" 1
220 1 21 ARG QG 1 23 LEU H 5.000 . 6.000 5.180 5.056 5.274 . 0 0 "[ . 1 . 2]" 1
221 1 21 ARG QG 1 33 ILE MG 5.000 . 6.000 5.808 5.246 6.013 0.013 8 0 "[ . 1 . 2]" 1
222 1 22 VAL H 1 22 VAL HA 2.800 . 3.500 2.801 2.790 2.817 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL H 1 22 VAL HB 3.500 . 4.500 2.662 2.076 3.578 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL H 1 22 VAL QG 3.500 . 4.500 2.147 1.757 2.882 0.043 20 0 "[ . 1 . 2]" 1
225 1 22 VAL H 1 23 LEU H 2.800 . 3.500 2.684 2.642 2.748 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL H 1 23 LEU QB 5.000 . 6.000 4.429 4.392 4.481 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL HA 1 24 ASN H 5.000 . 6.000 3.889 3.818 4.084 . 0 0 "[ . 1 . 2]" 1
228 1 22 VAL HB 1 23 LEU H 5.000 . 6.000 3.450 3.074 4.314 . 0 0 "[ . 1 . 2]" 1
229 1 22 VAL HB 1 25 LYS H 5.000 . 6.000 5.354 4.798 5.874 . 0 0 "[ . 1 . 2]" 1
230 1 22 VAL HB 1 54 THR MG 5.000 . 6.000 3.243 1.922 5.239 . 0 0 "[ . 1 . 2]" 1
231 1 22 VAL QG 1 23 LEU H 3.500 . 4.500 3.072 2.171 3.499 . 0 0 "[ . 1 . 2]" 1
232 1 22 VAL QG 1 26 LEU QB 5.000 . 6.000 3.675 2.996 4.355 . 0 0 "[ . 1 . 2]" 1
233 1 22 VAL QG 1 55 LEU HA 5.000 . 6.000 5.963 5.534 6.051 0.051 15 0 "[ . 1 . 2]" 1
234 1 23 LEU H 1 23 LEU HA 2.800 . 3.500 2.801 2.793 2.812 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU H 1 23 LEU HB2 3.500 . 4.500 2.415 2.109 2.635 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU H 1 23 LEU QB 2.800 . 3.500 2.224 2.076 2.270 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU H 1 23 LEU HB3 3.500 . 4.500 2.690 2.449 3.101 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU H 1 23 LEU MD1 5.000 . 6.000 4.070 3.906 4.276 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU H 1 23 LEU MD2 5.000 . 6.000 4.159 3.322 4.298 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU H 1 24 ASN H 2.800 . 3.500 2.709 2.659 2.758 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU HA 1 24 ASN H 3.500 . 4.500 3.521 3.512 3.535 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU HA 1 26 LEU H 3.500 . 4.500 3.258 3.143 3.494 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU HB2 1 24 ASN H 3.500 . 4.500 3.870 3.509 4.061 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU HB3 1 24 ASN H 3.500 . 4.500 2.783 2.587 2.897 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU QD 1 24 ASN QD 5.000 . 6.000 4.486 2.705 5.655 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU QD 1 25 LYS QG 5.000 . 6.000 5.928 5.591 6.048 0.048 13 0 "[ . 1 . 2]" 1
247 1 23 LEU QD 1 29 VAL QG 5.000 . 6.000 3.705 2.735 4.691 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU QD 1 31 TYR QB 5.000 . 6.000 2.576 1.925 3.304 . 0 0 "[ . 1 . 2]" 1
249 1 23 LEU QD 1 32 ASP H 5.000 . 6.000 4.846 4.066 5.653 . 0 0 "[ . 1 . 2]" 1
250 1 23 LEU QD 1 40 VAL QG 5.000 . 6.000 3.430 2.606 4.489 . 0 0 "[ . 1 . 2]" 1
251 1 23 LEU QD 1 42 ILE MD 5.000 . 6.000 2.074 1.765 2.978 0.035 1 0 "[ . 1 . 2]" 1
252 1 23 LEU QD 1 42 ILE MG 5.000 . 6.000 2.922 1.894 3.780 . 0 0 "[ . 1 . 2]" 1
253 1 23 LEU QD 1 50 THR MG 5.000 . 6.000 3.121 2.848 3.622 . 0 0 "[ . 1 . 2]" 1
254 1 23 LEU QD 1 51 LEU QB 5.000 . 6.000 3.632 2.949 4.138 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU QD 1 52 LEU HG 5.000 . 6.000 5.929 5.622 6.099 0.099 18 0 "[ . 1 . 2]" 1
256 1 23 LEU MD1 1 42 ILE MD 5.000 . 6.000 2.473 1.896 3.454 . 0 0 "[ . 1 . 2]" 1
257 1 23 LEU MD2 1 42 ILE MD 5.000 . 6.000 2.283 1.906 3.252 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU MD2 1 55 LEU QD 5.000 . 6.000 3.945 2.306 5.197 . 0 0 "[ . 1 . 2]" 1
259 1 24 ASN H 1 24 ASN HA 2.800 . 3.500 2.800 2.776 2.843 . 0 0 "[ . 1 . 2]" 1
260 1 24 ASN H 1 24 ASN HB2 2.800 . 3.500 2.605 2.082 3.551 0.051 18 0 "[ . 1 . 2]" 1
261 1 24 ASN H 1 24 ASN HB3 3.500 . 4.500 3.236 2.239 3.588 . 0 0 "[ . 1 . 2]" 1
262 1 24 ASN H 1 25 LYS H 3.500 . 4.500 2.696 2.580 2.779 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASN H 1 26 LEU H 5.000 . 6.000 4.349 4.163 4.469 . 0 0 "[ . 1 . 2]" 1
264 1 24 ASN H 1 54 THR MG 5.000 . 6.000 4.438 4.005 4.999 . 0 0 "[ . 1 . 2]" 1
265 1 24 ASN HA 1 25 LYS H 3.500 . 4.500 3.519 3.491 3.548 . 0 0 "[ . 1 . 2]" 1
266 1 24 ASN HA 1 26 LEU H 5.000 . 6.000 4.569 4.440 4.655 . 0 0 "[ . 1 . 2]" 1
267 1 24 ASN HA 1 27 GLY H 5.000 . 6.000 3.609 3.372 3.778 . 0 0 "[ . 1 . 2]" 1
268 1 24 ASN HB2 1 25 LYS H 3.500 . 4.500 3.148 2.579 4.101 . 0 0 "[ . 1 . 2]" 1
269 1 24 ASN HB3 1 25 LYS H 3.500 . 4.500 3.529 2.597 4.137 . 0 0 "[ . 1 . 2]" 1
270 1 24 ASN QD 1 25 LYS H 5.000 . 6.000 4.522 3.022 5.312 . 0 0 "[ . 1 . 2]" 1
271 1 25 LYS H 1 25 LYS HA 2.800 . 3.500 2.843 2.835 2.850 . 0 0 "[ . 1 . 2]" 1
272 1 25 LYS H 1 25 LYS QB 3.500 . 4.500 2.346 2.088 2.655 . 0 0 "[ . 1 . 2]" 1
273 1 25 LYS H 1 25 LYS QG 3.500 . 4.500 3.051 1.796 4.017 0.004 3 0 "[ . 1 . 2]" 1
274 1 25 LYS H 1 26 LEU H 2.800 . 3.500 2.658 2.636 2.687 . 0 0 "[ . 1 . 2]" 1
275 1 25 LYS H 1 54 THR MG 5.000 . 6.000 5.019 4.271 5.968 . 0 0 "[ . 1 . 2]" 1
276 1 25 LYS HA 1 26 LEU QD 5.000 . 6.000 4.953 4.724 5.249 . 0 0 "[ . 1 . 2]" 1
277 1 25 LYS QE 1 26 LEU H 5.000 . 6.000 5.519 4.701 6.002 0.002 8 0 "[ . 1 . 2]" 1
278 1 26 LEU H 1 26 LEU HA 2.800 . 3.500 2.880 2.864 2.894 . 0 0 "[ . 1 . 2]" 1
279 1 26 LEU H 1 26 LEU HB2 3.500 . 4.500 2.173 2.124 2.278 . 0 0 "[ . 1 . 2]" 1
280 1 26 LEU H 1 26 LEU HB3 3.500 . 4.500 3.021 2.797 3.163 . 0 0 "[ . 1 . 2]" 1
281 1 26 LEU H 1 26 LEU HG 3.500 . 4.500 4.558 4.507 4.617 0.117 10 0 "[ . 1 . 2]" 1
282 1 26 LEU H 1 27 GLY H 3.500 . 4.500 2.473 2.437 2.528 . 0 0 "[ . 1 . 2]" 1
283 1 26 LEU H 1 54 THR MG 5.000 . 6.000 4.474 2.945 5.668 . 0 0 "[ . 1 . 2]" 1
284 1 26 LEU HA 1 27 GLY H 5.000 . 6.000 3.541 3.532 3.546 . 0 0 "[ . 1 . 2]" 1
285 1 26 LEU QB 1 54 THR H 5.000 . 6.000 4.090 3.652 4.766 . 0 0 "[ . 1 . 2]" 1
286 1 26 LEU HB2 1 27 GLY H 3.500 . 4.500 3.390 3.264 3.563 . 0 0 "[ . 1 . 2]" 1
287 1 26 LEU HB3 1 27 GLY H 3.500 . 4.500 2.747 2.573 2.882 . 0 0 "[ . 1 . 2]" 1
288 1 26 LEU QD 1 27 GLY H 5.000 . 6.000 3.676 3.472 3.775 . 0 0 "[ . 1 . 2]" 1
289 1 26 LEU QD 1 29 VAL QG 5.000 . 6.000 5.273 4.932 5.553 . 0 0 "[ . 1 . 2]" 1
290 1 26 LEU QD 1 50 THR MG 5.000 . 6.000 3.554 3.226 3.822 . 0 0 "[ . 1 . 2]" 1
291 1 26 LEU QD 1 51 LEU H 5.000 . 6.000 4.916 4.755 5.137 . 0 0 "[ . 1 . 2]" 1
292 1 26 LEU QD 1 51 LEU QD 5.000 . 6.000 5.070 4.751 5.595 . 0 0 "[ . 1 . 2]" 1
293 1 26 LEU QD 1 54 THR H 5.000 . 6.000 4.389 3.904 5.167 . 0 0 "[ . 1 . 2]" 1
294 1 26 LEU QD 1 54 THR MG 5.000 . 6.000 4.498 2.699 5.504 . 0 0 "[ . 1 . 2]" 1
295 1 26 LEU HG 1 52 LEU MD1 5.000 . 6.000 5.774 5.058 6.001 0.001 19 0 "[ . 1 . 2]" 1
296 1 26 LEU HG 1 52 LEU MD2 5.000 . 6.000 6.054 6.021 6.089 0.089 20 0 "[ . 1 . 2]" 1
297 1 27 GLY H 1 27 GLY HA2 2.800 . 3.500 2.939 2.928 2.945 . 0 0 "[ . 1 . 2]" 1
298 1 27 GLY H 1 27 GLY HA3 2.800 . 3.500 2.383 2.362 2.391 . 0 0 "[ . 1 . 2]" 1
299 1 27 GLY H 1 54 THR MG 5.000 . 6.000 5.091 3.655 6.006 0.006 12 0 "[ . 1 . 2]" 1
300 1 27 GLY QA 1 28 GLY H 3.500 . 4.500 2.556 2.434 2.679 . 0 0 "[ . 1 . 2]" 1
301 1 27 GLY QA 1 29 VAL H 5.000 . 6.000 3.116 2.871 3.528 . 0 0 "[ . 1 . 2]" 1
302 1 28 GLY H 1 29 VAL H 3.500 . 4.500 2.542 2.440 2.682 . 0 0 "[ . 1 . 2]" 1
303 1 28 GLY H 1 29 VAL QG 5.000 . 6.000 3.436 3.226 3.578 . 0 0 "[ . 1 . 2]" 1
304 1 28 GLY QA 1 29 VAL H 3.500 . 4.500 2.802 2.682 2.891 . 0 0 "[ . 1 . 2]" 1
305 1 29 VAL H 1 29 VAL HA 2.800 . 3.500 2.957 2.942 2.961 . 0 0 "[ . 1 . 2]" 1
306 1 29 VAL H 1 29 VAL HB 3.500 . 4.500 3.394 2.932 3.769 . 0 0 "[ . 1 . 2]" 1
307 1 29 VAL H 1 30 LYS H 5.000 . 6.000 4.374 4.311 4.448 . 0 0 "[ . 1 . 2]" 1
308 1 29 VAL HA 1 30 LYS H 2.200 . 2.500 2.604 2.533 2.680 0.180 10 0 "[ . 1 . 2]" 1
309 1 29 VAL HB 1 30 LYS H 2.800 . 3.500 2.257 1.927 2.551 . 0 0 "[ . 1 . 2]" 1
310 1 29 VAL HB 1 50 THR MG 5.000 . 6.000 5.824 5.454 6.061 0.061 14 0 "[ . 1 . 2]" 1
311 1 29 VAL QG 1 30 LYS H 3.500 . 4.500 2.363 1.775 3.053 0.025 10 0 "[ . 1 . 2]" 1
312 1 29 VAL QG 1 31 TYR H 5.000 . 6.000 5.121 4.549 5.473 . 0 0 "[ . 1 . 2]" 1
313 1 29 VAL QG 1 31 TYR QD 5.000 . 6.000 4.720 2.897 5.848 . 0 0 "[ . 1 . 2]" 1
314 1 29 VAL QG 1 44 SER HB2 5.000 . 6.000 2.654 1.951 3.715 . 0 0 "[ . 1 . 2]" 1
315 1 29 VAL QG 1 44 SER HB3 5.000 . 6.000 2.879 1.942 4.137 . 0 0 "[ . 1 . 2]" 1
316 1 29 VAL QG 1 45 GLU H 5.000 . 6.000 2.582 2.376 2.770 . 0 0 "[ . 1 . 2]" 1
317 1 29 VAL QG 1 45 GLU QB 5.000 . 6.000 3.945 3.441 4.154 . 0 0 "[ . 1 . 2]" 1
318 1 29 VAL QG 1 46 HIS H 5.000 . 6.000 4.085 3.788 4.436 . 0 0 "[ . 1 . 2]" 1
319 1 29 VAL QG 1 46 HIS QB 5.000 . 6.000 4.947 4.466 5.385 . 0 0 "[ . 1 . 2]" 1
320 1 29 VAL MG1 1 30 LYS H 5.000 . 6.000 2.606 1.778 3.704 0.022 10 0 "[ . 1 . 2]" 1
321 1 29 VAL MG2 1 30 LYS H 5.000 . 6.000 3.541 2.996 3.854 . 0 0 "[ . 1 . 2]" 1
322 1 30 LYS H 1 30 LYS HA 2.800 . 3.500 2.820 2.758 2.903 . 0 0 "[ . 1 . 2]" 1
323 1 30 LYS H 1 30 LYS HB2 2.800 . 3.500 2.291 2.087 3.052 . 0 0 "[ . 1 . 2]" 1
324 1 30 LYS H 1 30 LYS HB3 2.800 . 3.500 3.178 2.534 3.531 0.031 15 0 "[ . 1 . 2]" 1
325 1 30 LYS H 1 30 LYS QD 5.000 . 6.000 3.900 1.914 4.628 . 0 0 "[ . 1 . 2]" 1
326 1 30 LYS H 1 30 LYS HG2 5.000 . 6.000 4.092 1.993 4.660 . 0 0 "[ . 1 . 2]" 1
327 1 30 LYS H 1 30 LYS HG3 5.000 . 6.000 3.574 1.803 4.419 . 0 0 "[ . 1 . 2]" 1
328 1 30 LYS H 1 31 TYR H 3.500 . 4.500 4.554 4.504 4.590 0.090 13 0 "[ . 1 . 2]" 1
329 1 30 LYS H 1 31 TYR HA 5.000 . 6.000 5.577 5.399 5.703 . 0 0 "[ . 1 . 2]" 1
330 1 30 LYS H 1 31 TYR QB 5.000 . 6.000 5.253 4.987 5.490 . 0 0 "[ . 1 . 2]" 1
331 1 30 LYS H 1 31 TYR QD 5.000 . 6.000 5.114 4.711 5.772 . 0 0 "[ . 1 . 2]" 1
332 1 30 LYS H 1 43 GLU H 3.500 . 4.500 4.512 4.407 4.536 0.036 10 0 "[ . 1 . 2]" 1
333 1 30 LYS H 1 44 SER QB 5.000 . 6.000 5.658 4.943 6.002 0.002 10 0 "[ . 1 . 2]" 1
334 1 30 LYS H 1 45 GLU QG 5.000 . 6.000 6.045 6.021 6.071 0.071 20 0 "[ . 1 . 2]" 1
335 1 30 LYS HA 1 31 TYR H 2.200 . 2.500 2.157 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
336 1 30 LYS QB 1 31 TYR H 3.500 . 4.500 3.431 3.076 3.728 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS QB 1 43 GLU H 5.000 . 6.000 3.375 2.689 4.142 . 0 0 "[ . 1 . 2]" 1
338 1 30 LYS QD 1 43 GLU H 5.000 . 6.000 5.337 4.350 6.004 0.004 16 0 "[ . 1 . 2]" 1
339 1 30 LYS HG2 1 31 TYR H 5.000 . 6.000 3.599 2.298 4.969 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS HG3 1 31 TYR H 5.000 . 6.000 3.897 2.412 5.320 . 0 0 "[ . 1 . 2]" 1
341 1 31 TYR H 1 31 TYR HA 2.800 . 3.500 2.934 2.918 2.953 . 0 0 "[ . 1 . 2]" 1
342 1 31 TYR H 1 31 TYR QB 3.500 . 4.500 3.050 2.873 3.196 . 0 0 "[ . 1 . 2]" 1
343 1 31 TYR H 1 31 TYR QD 3.500 . 4.500 2.343 1.796 3.206 0.004 8 0 "[ . 1 . 2]" 1
344 1 31 TYR H 1 42 ILE HA 5.000 . 6.000 4.929 4.795 5.173 . 0 0 "[ . 1 . 2]" 1
345 1 31 TYR HA 1 32 ASP H 2.200 . 2.500 2.342 2.291 2.430 . 0 0 "[ . 1 . 2]" 1
346 1 31 TYR HA 1 41 CYS H 5.000 . 6.000 5.408 5.160 5.643 . 0 0 "[ . 1 . 2]" 1
347 1 31 TYR HA 1 42 ILE H 5.000 . 6.000 4.947 4.738 5.126 . 0 0 "[ . 1 . 2]" 1
348 1 31 TYR HA 1 42 ILE MD 5.000 . 6.000 4.382 3.568 5.091 . 0 0 "[ . 1 . 2]" 1
349 1 31 TYR HA 1 43 GLU H 3.500 . 4.500 3.336 2.922 3.619 . 0 0 "[ . 1 . 2]" 1
350 1 31 TYR QB 1 32 ASP H 3.500 . 4.500 2.606 2.309 2.857 . 0 0 "[ . 1 . 2]" 1
351 1 31 TYR QB 1 42 ILE H 5.000 . 6.000 5.362 4.620 5.952 . 0 0 "[ . 1 . 2]" 1
352 1 31 TYR QB 1 42 ILE MG 5.000 . 6.000 3.975 2.398 4.635 . 0 0 "[ . 1 . 2]" 1
353 1 31 TYR QB 1 43 GLU H 5.000 . 6.000 4.304 3.364 4.925 . 0 0 "[ . 1 . 2]" 1
354 1 31 TYR QB 1 55 LEU QD 5.000 . 6.000 5.684 5.325 5.953 . 0 0 "[ . 1 . 2]" 1
355 1 31 TYR QD 1 32 ASP H 3.500 . 4.500 3.443 3.062 3.782 . 0 0 "[ . 1 . 2]" 1
356 1 31 TYR QD 1 33 ILE H 5.000 . 6.000 4.291 3.588 5.061 . 0 0 "[ . 1 . 2]" 1
357 1 31 TYR QD 1 33 ILE MG 5.000 . 6.000 3.705 2.649 5.494 . 0 0 "[ . 1 . 2]" 1
358 1 32 ASP H 1 32 ASP HA 2.800 . 3.500 2.921 2.879 2.950 . 0 0 "[ . 1 . 2]" 1
359 1 32 ASP H 1 32 ASP QB 3.500 . 4.500 2.809 2.564 3.333 . 0 0 "[ . 1 . 2]" 1
360 1 32 ASP H 1 33 ILE H 5.000 . 6.000 4.217 4.008 4.398 . 0 0 "[ . 1 . 2]" 1
361 1 32 ASP H 1 33 ILE QG 5.000 . 6.000 4.752 3.749 6.057 0.057 17 0 "[ . 1 . 2]" 1
362 1 32 ASP H 1 41 CYS HB2 5.000 . 6.000 5.255 4.409 6.004 0.004 3 0 "[ . 1 . 2]" 1
363 1 32 ASP H 1 41 CYS HB3 5.000 . 6.000 4.793 3.626 6.018 0.018 19 0 "[ . 1 . 2]" 1
364 1 32 ASP H 1 42 ILE QG 5.000 . 6.000 4.930 3.989 5.568 . 0 0 "[ . 1 . 2]" 1
365 1 32 ASP H 1 42 ILE MG 5.000 . 6.000 4.593 2.085 5.518 . 0 0 "[ . 1 . 2]" 1
366 1 32 ASP H 1 43 GLU H 5.000 . 6.000 5.239 4.870 5.543 . 0 0 "[ . 1 . 2]" 1
367 1 32 ASP HA 1 33 ILE H 2.200 . 2.500 2.180 2.150 2.269 . 0 0 "[ . 1 . 2]" 1
368 1 32 ASP HB2 1 33 ILE H 5.000 . 6.000 4.105 3.151 4.508 . 0 0 "[ . 1 . 2]" 1
369 1 32 ASP HB2 1 41 CYS H 5.000 . 6.000 4.137 2.946 5.731 . 0 0 "[ . 1 . 2]" 1
370 1 32 ASP HB3 1 33 ILE H 5.000 . 6.000 3.663 3.053 4.418 . 0 0 "[ . 1 . 2]" 1
371 1 32 ASP HB3 1 41 CYS H 5.000 . 6.000 4.055 2.863 5.704 . 0 0 "[ . 1 . 2]" 1
372 1 33 ILE H 1 33 ILE HB 2.800 . 3.500 3.295 2.444 3.698 0.198 4 0 "[ . 1 . 2]" 1
373 1 33 ILE H 1 33 ILE MD 5.000 . 6.000 3.341 1.774 4.507 0.026 5 0 "[ . 1 . 2]" 1
374 1 33 ILE HA 1 34 ASP H 2.200 . 2.500 2.161 2.147 2.175 . 0 0 "[ . 1 . 2]" 1
375 1 33 ILE HA 1 40 VAL QG 5.000 . 6.000 2.524 2.119 3.121 . 0 0 "[ . 1 . 2]" 1
376 1 33 ILE HA 1 41 CYS H 5.000 . 6.000 3.893 3.448 4.512 . 0 0 "[ . 1 . 2]" 1
377 1 33 ILE MD 1 34 ASP H 5.000 . 6.000 4.898 3.626 5.416 . 0 0 "[ . 1 . 2]" 1
378 1 33 ILE QG 1 34 ASP H 5.000 . 6.000 4.312 2.704 4.801 . 0 0 "[ . 1 . 2]" 1
379 1 33 ILE MG 1 34 ASP H 5.000 . 6.000 3.529 2.765 4.191 . 0 0 "[ . 1 . 2]" 1
380 1 34 ASP H 1 34 ASP HA 2.800 . 3.500 2.958 2.953 2.961 . 0 0 "[ . 1 . 2]" 1
381 1 34 ASP H 1 34 ASP HB2 3.500 . 4.500 2.631 2.364 3.575 . 0 0 "[ . 1 . 2]" 1
382 1 34 ASP H 1 34 ASP HB3 3.500 . 4.500 3.576 3.009 3.777 . 0 0 "[ . 1 . 2]" 1
383 1 34 ASP H 1 35 LEU H 5.000 . 6.000 4.063 4.021 4.168 . 0 0 "[ . 1 . 2]" 1
384 1 34 ASP H 1 39 LYS H 5.000 . 6.000 3.679 3.311 4.097 . 0 0 "[ . 1 . 2]" 1
385 1 34 ASP H 1 39 LYS HA 5.000 . 6.000 5.334 4.904 5.685 . 0 0 "[ . 1 . 2]" 1
386 1 34 ASP H 1 41 CYS H 5.000 . 6.000 4.506 4.182 4.852 . 0 0 "[ . 1 . 2]" 1
387 1 34 ASP HA 1 35 LEU H 2.800 . 3.500 2.192 2.155 2.201 . 0 0 "[ . 1 . 2]" 1
388 1 34 ASP HA 1 37 ASN H 5.000 . 6.000 4.296 4.159 4.470 . 0 0 "[ . 1 . 2]" 1
389 1 34 ASP QB 1 37 ASN H 5.000 . 6.000 2.750 2.529 2.914 . 0 0 "[ . 1 . 2]" 1
390 1 34 ASP QB 1 39 LYS H 3.500 . 4.500 3.036 2.401 3.896 . 0 0 "[ . 1 . 2]" 1
391 1 34 ASP HB2 1 35 LEU H 5.000 . 6.000 4.439 3.927 4.637 . 0 0 "[ . 1 . 2]" 1
392 1 34 ASP HB2 1 37 ASN QD 5.000 . 6.000 4.896 3.396 5.751 . 0 0 "[ . 1 . 2]" 1
393 1 34 ASP HB2 1 39 LYS H 5.000 . 6.000 3.316 2.421 4.969 . 0 0 "[ . 1 . 2]" 1
394 1 34 ASP HB3 1 35 LEU H 5.000 . 6.000 3.954 3.767 4.324 . 0 0 "[ . 1 . 2]" 1
395 1 34 ASP HB3 1 37 ASN QD 5.000 . 6.000 4.313 3.017 5.607 . 0 0 "[ . 1 . 2]" 1
396 1 34 ASP HB3 1 39 LYS H 5.000 . 6.000 4.120 2.786 5.271 . 0 0 "[ . 1 . 2]" 1
397 1 35 LEU H 1 35 LEU HA 2.800 . 3.500 2.811 2.805 2.816 . 0 0 "[ . 1 . 2]" 1
398 1 35 LEU H 1 36 PRO QD 3.500 . 4.500 2.104 2.046 2.209 . 0 0 "[ . 1 . 2]" 1
399 1 35 LEU H 1 36 PRO QG 5.000 . 6.000 4.024 3.977 4.140 . 0 0 "[ . 1 . 2]" 1
400 1 35 LEU H 1 37 ASN QB 5.000 . 6.000 5.398 5.099 5.629 . 0 0 "[ . 1 . 2]" 1
401 1 35 LEU QD 1 39 LYS H 5.000 . 6.000 5.366 4.575 5.809 . 0 0 "[ . 1 . 2]" 1
402 1 36 PRO HA 1 37 ASN H 2.800 . 3.500 3.515 3.479 3.532 0.032 8 0 "[ . 1 . 2]" 1
403 1 36 PRO HA 1 37 ASN QD 5.000 . 6.000 5.248 4.438 6.036 0.036 4 0 "[ . 1 . 2]" 1
404 1 36 PRO QB 1 37 ASN H 2.800 . 3.500 2.939 2.808 3.386 . 0 0 "[ . 1 . 2]" 1
405 1 36 PRO QB 1 37 ASN QD 5.000 . 6.000 3.361 2.275 5.151 . 0 0 "[ . 1 . 2]" 1
406 1 36 PRO HG2 1 37 ASN H 5.000 . 6.000 3.903 2.832 4.245 . 0 0 "[ . 1 . 2]" 1
407 1 36 PRO HG3 1 37 ASN H 5.000 . 6.000 4.585 4.243 4.709 . 0 0 "[ . 1 . 2]" 1
408 1 37 ASN H 1 37 ASN HA 2.800 . 3.500 2.948 2.942 2.951 . 0 0 "[ . 1 . 2]" 1
409 1 37 ASN H 1 37 ASN HB2 2.800 . 3.500 2.297 2.257 2.436 . 0 0 "[ . 1 . 2]" 1
410 1 37 ASN H 1 37 ASN HB3 2.800 . 3.500 3.401 3.022 3.587 0.087 8 0 "[ . 1 . 2]" 1
411 1 37 ASN H 1 37 ASN QD 3.500 . 4.500 3.541 2.552 4.339 . 0 0 "[ . 1 . 2]" 1
412 1 37 ASN H 1 38 LYS H 3.500 . 4.500 2.154 2.108 2.211 . 0 0 "[ . 1 . 2]" 1
413 1 37 ASN H 1 38 LYS HA 3.500 . 4.500 4.384 4.331 4.451 . 0 0 "[ . 1 . 2]" 1
414 1 37 ASN H 1 39 LYS H 5.000 . 6.000 3.740 3.656 3.841 . 0 0 "[ . 1 . 2]" 1
415 1 37 ASN HA 1 38 LYS H 5.000 . 6.000 3.344 3.309 3.388 . 0 0 "[ . 1 . 2]" 1
416 1 37 ASN QB 1 39 LYS H 5.000 . 6.000 2.998 2.813 3.089 . 0 0 "[ . 1 . 2]" 1
417 1 37 ASN HB2 1 37 ASN QD 2.800 . 3.500 2.638 2.224 3.398 . 0 0 "[ . 1 . 2]" 1
418 1 37 ASN HB2 1 38 LYS H 5.000 . 6.000 3.610 3.452 3.967 . 0 0 "[ . 1 . 2]" 1
419 1 37 ASN HB3 1 37 ASN QD 2.800 . 3.500 3.220 2.658 3.399 . 0 0 "[ . 1 . 2]" 1
420 1 37 ASN HB3 1 38 LYS H 5.000 . 6.000 3.816 3.561 4.094 . 0 0 "[ . 1 . 2]" 1
421 1 38 LYS H 1 38 LYS HA 2.800 . 3.500 2.301 2.295 2.305 . 0 0 "[ . 1 . 2]" 1
422 1 38 LYS H 1 38 LYS QD 3.500 . 4.500 4.347 3.735 4.538 0.038 2 0 "[ . 1 . 2]" 1
423 1 38 LYS H 1 38 LYS QE 5.000 . 6.000 4.710 4.300 5.273 . 0 0 "[ . 1 . 2]" 1
424 1 38 LYS H 1 38 LYS QG 3.500 . 4.500 2.420 2.277 2.520 . 0 0 "[ . 1 . 2]" 1
425 1 38 LYS HA 1 39 LYS H 2.800 . 3.500 2.832 2.819 2.847 . 0 0 "[ . 1 . 2]" 1
426 1 38 LYS QB 1 39 LYS H 3.500 . 4.500 3.866 3.849 3.888 . 0 0 "[ . 1 . 2]" 1
427 1 39 LYS H 1 39 LYS HA 2.800 . 3.500 2.950 2.940 2.959 . 0 0 "[ . 1 . 2]" 1
428 1 39 LYS H 1 39 LYS QB 3.500 . 4.500 2.603 2.497 2.895 . 0 0 "[ . 1 . 2]" 1
429 1 39 LYS H 1 39 LYS QD 5.000 . 6.000 4.436 3.552 5.095 . 0 0 "[ . 1 . 2]" 1
430 1 39 LYS H 1 39 LYS QE 5.000 . 6.000 5.323 4.514 5.999 . 0 0 "[ . 1 . 2]" 1
431 1 39 LYS HA 1 40 VAL H 2.200 . 2.500 2.335 2.231 2.452 . 0 0 "[ . 1 . 2]" 1
432 1 39 LYS QB 1 40 VAL H 3.500 . 4.500 2.830 2.292 3.532 . 0 0 "[ . 1 . 2]" 1
433 1 39 LYS QD 1 40 VAL H 5.000 . 6.000 4.282 2.997 5.050 . 0 0 "[ . 1 . 2]" 1
434 1 39 LYS QE 1 65 LEU QD 5.000 . 6.000 3.847 2.123 5.999 . 0 0 "[ . 1 . 2]" 1
435 1 39 LYS QG 1 40 VAL H 5.000 . 6.000 3.055 1.805 4.112 . 0 0 "[ . 1 . 2]" 1
436 1 40 VAL H 1 40 VAL HA 2.800 . 3.500 2.951 2.940 2.958 . 0 0 "[ . 1 . 2]" 1
437 1 40 VAL H 1 40 VAL HB 2.800 . 3.500 2.905 2.644 3.553 0.053 13 0 "[ . 1 . 2]" 1
438 1 40 VAL H 1 41 CYS H 5.000 . 6.000 4.217 4.151 4.279 . 0 0 "[ . 1 . 2]" 1
439 1 40 VAL HA 1 41 CYS H 2.200 . 2.500 2.145 2.135 2.156 . 0 0 "[ . 1 . 2]" 1
440 1 40 VAL HB 1 41 CYS H 5.000 . 6.000 4.114 3.579 4.337 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL QG 1 41 CYS H 5.000 . 6.000 2.769 2.460 3.439 . 0 0 "[ . 1 . 2]" 1
442 1 40 VAL MG2 1 55 LEU QD 5.000 . 6.000 2.819 2.071 3.369 . 0 0 "[ . 1 . 2]" 1
443 1 41 CYS H 1 41 CYS HA 2.800 . 3.500 2.955 2.943 2.961 . 0 0 "[ . 1 . 2]" 1
444 1 41 CYS H 1 41 CYS HB2 2.800 . 3.500 2.928 2.309 3.492 . 0 0 "[ . 1 . 2]" 1
445 1 41 CYS H 1 41 CYS HB3 2.800 . 3.500 2.986 2.381 3.539 0.039 12 0 "[ . 1 . 2]" 1
446 1 41 CYS H 1 42 ILE H 5.000 . 6.000 4.262 4.187 4.326 . 0 0 "[ . 1 . 2]" 1
447 1 41 CYS HA 1 42 ILE H 2.200 . 2.500 2.153 2.135 2.170 . 0 0 "[ . 1 . 2]" 1
448 1 41 CYS HB2 1 42 ILE H 3.500 . 4.500 4.276 3.712 4.534 0.034 6 0 "[ . 1 . 2]" 1
449 1 41 CYS HB3 1 42 ILE H 3.500 . 4.500 4.132 3.675 4.494 . 0 0 "[ . 1 . 2]" 1
450 1 42 ILE H 1 42 ILE HA 2.800 . 3.500 2.955 2.939 2.960 . 0 0 "[ . 1 . 2]" 1
451 1 42 ILE H 1 42 ILE HB 2.800 . 3.500 3.337 2.855 3.759 0.259 3 0 "[ . 1 . 2]" 1
452 1 42 ILE H 1 42 ILE MD 5.000 . 6.000 4.292 3.345 4.602 . 0 0 "[ . 1 . 2]" 1
453 1 42 ILE H 1 42 ILE HG12 3.500 . 4.500 4.111 3.287 4.507 0.007 11 0 "[ . 1 . 2]" 1
454 1 42 ILE H 1 42 ILE HG13 5.000 . 6.000 4.511 2.088 4.938 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE H 1 55 LEU QD 5.000 . 6.000 6.029 5.870 6.070 0.070 19 0 "[ . 1 . 2]" 1
456 1 42 ILE HA 1 43 GLU H 2.200 . 2.500 2.171 2.145 2.208 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE MD 1 43 GLU H 5.000 . 6.000 3.913 3.154 4.238 . 0 0 "[ . 1 . 2]" 1
458 1 42 ILE MD 1 46 HIS H 5.000 . 6.000 5.806 5.060 6.067 0.067 16 0 "[ . 1 . 2]" 1
459 1 42 ILE MD 1 48 MET H 5.000 . 6.000 5.148 3.987 5.897 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE MD 1 49 ASP H 5.000 . 6.000 5.634 5.158 6.019 0.019 6 0 "[ . 1 . 2]" 1
461 1 42 ILE MD 1 55 LEU QD 5.000 . 6.000 4.609 4.168 5.376 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE QG 1 43 GLU H 5.000 . 6.000 2.462 2.145 4.179 . 0 0 "[ . 1 . 2]" 1
463 1 42 ILE MG 1 43 GLU H 3.500 . 4.500 4.080 3.718 4.283 . 0 0 "[ . 1 . 2]" 1
464 1 42 ILE MG 1 44 SER H 5.000 . 6.000 4.778 3.799 6.121 0.121 3 0 "[ . 1 . 2]" 1
465 1 42 ILE MG 1 44 SER HB2 5.000 . 6.000 5.015 3.590 5.997 . 0 0 "[ . 1 . 2]" 1
466 1 42 ILE MG 1 44 SER HB3 5.000 . 6.000 5.005 3.922 5.994 . 0 0 "[ . 1 . 2]" 1
467 1 43 GLU H 1 43 GLU HB2 2.800 . 3.500 3.150 2.358 3.560 0.060 1 0 "[ . 1 . 2]" 1
468 1 43 GLU H 1 43 GLU HB3 2.800 . 3.500 2.634 2.345 3.582 0.082 17 0 "[ . 1 . 2]" 1
469 1 43 GLU H 1 43 GLU QG 3.500 . 4.500 3.589 1.772 4.082 0.028 7 0 "[ . 1 . 2]" 1
470 1 43 GLU H 1 44 SER H 5.000 . 6.000 4.271 4.252 4.303 . 0 0 "[ . 1 . 2]" 1
471 1 43 GLU HA 1 44 SER H 2.200 . 2.500 2.166 2.133 2.193 . 0 0 "[ . 1 . 2]" 1
472 1 43 GLU HB2 1 44 SER H 3.500 . 4.500 4.208 3.633 4.490 . 0 0 "[ . 1 . 2]" 1
473 1 43 GLU HB3 1 44 SER H 3.500 . 4.500 4.342 3.652 4.513 0.013 18 0 "[ . 1 . 2]" 1
474 1 43 GLU QG 1 44 SER H 3.500 . 4.500 3.187 2.724 4.593 0.093 7 0 "[ . 1 . 2]" 1
475 1 44 SER H 1 44 SER HA 2.800 . 3.500 2.950 2.933 2.959 . 0 0 "[ . 1 . 2]" 1
476 1 44 SER H 1 44 SER HB2 3.500 . 4.500 3.291 2.709 3.847 . 0 0 "[ . 1 . 2]" 1
477 1 44 SER H 1 44 SER HB3 3.500 . 4.500 3.105 2.424 3.882 . 0 0 "[ . 1 . 2]" 1
478 1 44 SER H 1 45 GLU H 5.000 . 6.000 4.451 4.412 4.488 . 0 0 "[ . 1 . 2]" 1
479 1 44 SER HA 1 45 GLU H 2.800 . 3.500 2.371 2.338 2.382 . 0 0 "[ . 1 . 2]" 1
480 1 44 SER HA 1 46 HIS H 5.000 . 6.000 4.086 3.863 4.280 . 0 0 "[ . 1 . 2]" 1
481 1 44 SER QB 1 45 GLU H 3.500 . 4.500 2.845 2.331 3.266 . 0 0 "[ . 1 . 2]" 1
482 1 44 SER QB 1 46 HIS QB 5.000 . 6.000 3.807 2.770 4.587 . 0 0 "[ . 1 . 2]" 1
483 1 44 SER HB2 1 45 GLU H 5.000 . 6.000 3.293 2.397 3.994 . 0 0 "[ . 1 . 2]" 1
484 1 44 SER HB2 1 46 HIS H 3.500 . 4.500 3.393 2.197 4.404 . 0 0 "[ . 1 . 2]" 1
485 1 44 SER HB3 1 45 GLU H 5.000 . 6.000 3.370 2.359 3.989 . 0 0 "[ . 1 . 2]" 1
486 1 44 SER HB3 1 46 HIS H 3.500 . 4.500 3.388 2.322 4.301 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLU H 1 45 GLU HA 2.800 . 3.500 2.866 2.831 2.900 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLU H 1 45 GLU HB2 2.800 . 3.500 2.618 2.275 2.829 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLU H 1 45 GLU HB3 2.800 . 3.500 3.557 3.516 3.591 0.091 12 0 "[ . 1 . 2]" 1
490 1 45 GLU H 1 45 GLU QG 3.500 . 4.500 2.013 1.754 2.544 0.046 5 0 "[ . 1 . 2]" 1
491 1 45 GLU H 1 46 HIS H 2.800 . 3.500 2.454 2.286 2.573 . 0 0 "[ . 1 . 2]" 1
492 1 45 GLU H 1 46 HIS QB 5.000 . 6.000 4.450 4.028 5.084 . 0 0 "[ . 1 . 2]" 1
493 1 45 GLU HA 1 46 HIS H 3.500 . 4.500 3.463 3.343 3.533 . 0 0 "[ . 1 . 2]" 1
494 1 45 GLU QB 1 46 HIS H 3.500 . 4.500 2.905 2.638 3.298 . 0 0 "[ . 1 . 2]" 1
495 1 45 GLU QB 1 50 THR MG 5.000 . 6.000 6.053 6.008 6.102 0.102 8 0 "[ . 1 . 2]" 1
496 1 45 GLU HB2 1 46 HIS H 5.000 . 6.000 2.977 2.685 3.410 . 0 0 "[ . 1 . 2]" 1
497 1 45 GLU HB3 1 46 HIS H 5.000 . 6.000 4.073 3.791 4.386 . 0 0 "[ . 1 . 2]" 1
498 1 46 HIS H 1 46 HIS HA 2.800 . 3.500 2.936 2.872 2.957 . 0 0 "[ . 1 . 2]" 1
499 1 46 HIS H 1 46 HIS QB 2.800 . 3.500 2.438 2.126 2.878 . 0 0 "[ . 1 . 2]" 1
500 1 46 HIS H 1 46 HIS HD2 5.000 . 6.000 4.501 2.758 5.635 . 0 0 "[ . 1 . 2]" 1
501 1 46 HIS H 1 47 SER H 5.000 . 6.000 2.438 2.079 3.298 . 0 0 "[ . 1 . 2]" 1
502 1 46 HIS H 1 51 LEU QD 5.000 . 6.000 5.932 5.687 6.046 0.046 6 0 "[ . 1 . 2]" 1
503 1 46 HIS HA 1 47 SER H 2.800 . 3.500 3.550 3.478 3.562 0.062 5 0 "[ . 1 . 2]" 1
504 1 46 HIS QB 1 47 SER H 3.500 . 4.500 2.214 1.794 2.575 0.006 8 0 "[ . 1 . 2]" 1
505 1 46 HIS QB 1 48 MET QB 5.000 . 6.000 4.815 3.566 5.351 . 0 0 "[ . 1 . 2]" 1
506 1 46 HIS QB 1 50 THR H 5.000 . 6.000 4.198 3.236 5.231 . 0 0 "[ . 1 . 2]" 1
507 1 46 HIS QB 1 50 THR HB 5.000 . 6.000 4.666 3.493 5.911 . 0 0 "[ . 1 . 2]" 1
508 1 46 HIS QB 1 50 THR MG 5.000 . 6.000 3.200 2.299 4.147 . 0 0 "[ . 1 . 2]" 1
509 1 47 SER H 1 47 SER HA 2.800 . 3.500 2.303 2.294 2.342 . 0 0 "[ . 1 . 2]" 1
510 1 47 SER H 1 47 SER QB 3.500 . 4.500 3.241 2.827 3.535 . 0 0 "[ . 1 . 2]" 1
511 1 47 SER H 1 48 MET H 5.000 . 6.000 3.783 2.743 4.577 . 0 0 "[ . 1 . 2]" 1
512 1 47 SER H 1 48 MET QB 5.000 . 6.000 5.083 4.637 5.406 . 0 0 "[ . 1 . 2]" 1
513 1 47 SER H 1 50 THR H 5.000 . 6.000 4.366 3.743 4.852 . 0 0 "[ . 1 . 2]" 1
514 1 47 SER H 1 50 THR HG1 5.000 . 6.000 5.878 5.215 6.033 0.033 15 0 "[ . 1 . 2]" 1
515 1 47 SER H 1 50 THR MG 5.000 . 6.000 2.856 2.270 3.104 . 0 0 "[ . 1 . 2]" 1
516 1 47 SER H 1 51 LEU QD 5.000 . 6.000 4.232 3.650 4.509 . 0 0 "[ . 1 . 2]" 1
517 1 47 SER H 1 67 LEU QD 5.000 . 6.000 5.619 4.928 6.002 0.002 16 0 "[ . 1 . 2]" 1
518 1 47 SER HA 1 48 MET H 2.800 . 3.500 2.303 2.136 2.640 . 0 0 "[ . 1 . 2]" 1
519 1 47 SER HA 1 49 ASP H 3.500 . 4.500 4.086 3.170 4.531 0.031 10 0 "[ . 1 . 2]" 1
520 1 47 SER QB 1 48 MET H 5.000 . 6.000 3.321 2.191 4.012 . 0 0 "[ . 1 . 2]" 1
521 1 48 MET H 1 48 MET QB 2.800 . 3.500 3.117 2.993 3.429 . 0 0 "[ . 1 . 2]" 1
522 1 48 MET H 1 48 MET QG 3.500 . 4.500 3.901 2.482 4.333 . 0 0 "[ . 1 . 2]" 1
523 1 48 MET H 1 49 ASP H 3.500 . 4.500 2.516 2.034 2.816 . 0 0 "[ . 1 . 2]" 1
524 1 48 MET H 1 49 ASP QB 5.000 . 6.000 4.450 3.504 5.048 . 0 0 "[ . 1 . 2]" 1
525 1 48 MET H 1 50 THR HG1 5.000 . 6.000 5.949 5.722 6.035 0.035 4 0 "[ . 1 . 2]" 1
526 1 48 MET HA 1 49 ASP H 5.000 . 6.000 2.652 2.443 2.956 . 0 0 "[ . 1 . 2]" 1
527 1 48 MET HA 1 51 LEU H 3.500 . 4.500 4.535 4.491 4.584 0.084 10 0 "[ . 1 . 2]" 1
528 1 48 MET HA 1 52 LEU H 5.000 . 6.000 4.624 4.216 5.100 . 0 0 "[ . 1 . 2]" 1
529 1 48 MET QB 1 49 ASP H 3.500 . 4.500 3.936 3.727 4.018 . 0 0 "[ . 1 . 2]" 1
530 1 48 MET QB 1 50 THR H 5.000 . 6.000 5.241 4.998 5.386 . 0 0 "[ . 1 . 2]" 1
531 1 48 MET HB2 1 49 ASP H 5.000 . 6.000 4.548 4.134 4.670 . 0 0 "[ . 1 . 2]" 1
532 1 48 MET HB3 1 49 ASP H 5.000 . 6.000 4.322 4.094 4.654 . 0 0 "[ . 1 . 2]" 1
533 1 48 MET QG 1 49 ASP H 3.500 . 4.500 4.201 3.878 4.544 0.044 19 0 "[ . 1 . 2]" 1
534 1 49 ASP H 1 49 ASP HA 2.800 . 3.500 2.801 2.708 2.893 . 0 0 "[ . 1 . 2]" 1
535 1 49 ASP H 1 49 ASP QB 2.800 . 3.500 3.090 2.841 3.496 . 0 0 "[ . 1 . 2]" 1
536 1 49 ASP H 1 50 THR H 2.800 . 3.500 1.967 1.772 2.208 0.028 16 0 "[ . 1 . 2]" 1
537 1 49 ASP H 1 50 THR HG1 5.000 . 6.000 5.445 5.118 5.795 . 0 0 "[ . 1 . 2]" 1
538 1 49 ASP H 1 52 LEU QB 5.000 . 6.000 5.130 4.759 5.447 . 0 0 "[ . 1 . 2]" 1
539 1 49 ASP H 1 52 LEU QD 5.000 . 6.000 2.089 1.790 2.498 0.010 20 0 "[ . 1 . 2]" 1
540 1 49 ASP HA 1 50 THR H 5.000 . 6.000 3.519 3.478 3.537 . 0 0 "[ . 1 . 2]" 1
541 1 49 ASP HA 1 52 LEU H 3.500 . 4.500 4.162 3.874 4.382 . 0 0 "[ . 1 . 2]" 1
542 1 49 ASP HA 1 53 ALA H 3.500 . 4.500 4.203 3.617 4.524 0.024 19 0 "[ . 1 . 2]" 1
543 1 49 ASP QB 1 50 THR H 3.500 . 4.500 2.811 2.513 3.460 . 0 0 "[ . 1 . 2]" 1
544 1 49 ASP QB 1 51 LEU H 5.000 . 6.000 4.810 4.581 5.300 . 0 0 "[ . 1 . 2]" 1
545 1 49 ASP QB 1 52 LEU H 5.000 . 6.000 5.488 5.330 5.650 . 0 0 "[ . 1 . 2]" 1
546 1 50 THR H 1 50 THR HA 2.800 . 3.500 2.884 2.881 2.887 . 0 0 "[ . 1 . 2]" 1
547 1 50 THR H 1 50 THR HB 2.800 . 3.500 2.999 2.916 3.089 . 0 0 "[ . 1 . 2]" 1
548 1 50 THR H 1 50 THR HG1 5.000 . 6.000 4.022 3.840 4.245 . 0 0 "[ . 1 . 2]" 1
549 1 50 THR H 1 52 LEU H 5.000 . 6.000 4.339 4.175 4.471 . 0 0 "[ . 1 . 2]" 1
550 1 50 THR H 1 53 ALA H 5.000 . 6.000 5.064 4.741 5.308 . 0 0 "[ . 1 . 2]" 1
551 1 50 THR HA 1 51 LEU H 3.500 . 4.500 3.535 3.505 3.573 . 0 0 "[ . 1 . 2]" 1
552 1 50 THR HB 1 51 LEU H 3.500 . 4.500 4.083 4.000 4.140 . 0 0 "[ . 1 . 2]" 1
553 1 50 THR HG1 1 51 LEU H 5.000 . 6.000 3.375 2.768 3.924 . 0 0 "[ . 1 . 2]" 1
554 1 50 THR MG 1 51 LEU H 5.000 . 6.000 1.875 1.761 1.994 0.039 10 0 "[ . 1 . 2]" 1
555 1 51 LEU H 1 51 LEU HA 2.800 . 3.500 2.823 2.814 2.834 . 0 0 "[ . 1 . 2]" 1
556 1 51 LEU H 1 51 LEU HB2 2.800 . 3.500 2.901 2.257 3.539 0.039 10 0 "[ . 1 . 2]" 1
557 1 51 LEU H 1 51 LEU HB3 2.800 . 3.500 3.408 2.856 3.556 0.056 9 0 "[ . 1 . 2]" 1
558 1 51 LEU H 1 51 LEU QD 3.500 . 4.500 1.930 1.724 2.697 0.076 14 0 "[ . 1 . 2]" 1
559 1 51 LEU H 1 51 LEU HG 2.800 . 3.500 2.073 1.717 3.487 0.083 20 0 "[ . 1 . 2]" 1
560 1 51 LEU H 1 52 LEU H 2.800 . 3.500 2.816 2.758 2.876 . 0 0 "[ . 1 . 2]" 1
561 1 51 LEU HA 1 54 THR H 3.500 . 4.500 3.959 3.770 4.234 . 0 0 "[ . 1 . 2]" 1
562 1 51 LEU QB 1 55 LEU MD1 5.000 . 6.000 2.870 1.963 3.786 . 0 0 "[ . 1 . 2]" 1
563 1 51 LEU QB 1 55 LEU MD2 5.000 . 6.000 3.176 2.150 4.733 . 0 0 "[ . 1 . 2]" 1
564 1 51 LEU HB2 1 52 LEU H 3.500 . 4.500 2.495 2.257 3.159 . 0 0 "[ . 1 . 2]" 1
565 1 51 LEU HB3 1 52 LEU H 3.500 . 4.500 3.694 3.072 3.990 . 0 0 "[ . 1 . 2]" 1
566 1 51 LEU QD 1 52 LEU H 5.000 . 6.000 2.951 2.124 3.830 . 0 0 "[ . 1 . 2]" 1
567 1 51 LEU QD 1 54 THR H 5.000 . 6.000 5.385 4.909 5.610 . 0 0 "[ . 1 . 2]" 1
568 1 52 LEU H 1 52 LEU HA 2.800 . 3.500 2.789 2.757 2.830 . 0 0 "[ . 1 . 2]" 1
569 1 52 LEU H 1 52 LEU HB2 2.800 . 3.500 3.527 3.465 3.564 0.064 10 0 "[ . 1 . 2]" 1
570 1 52 LEU H 1 52 LEU HB3 2.800 . 3.500 2.878 2.615 3.046 . 0 0 "[ . 1 . 2]" 1
571 1 52 LEU H 1 52 LEU HG 3.500 . 4.500 2.087 1.874 2.296 . 0 0 "[ . 1 . 2]" 1
572 1 52 LEU H 1 53 ALA H 2.800 . 3.500 2.901 2.744 3.009 . 0 0 "[ . 1 . 2]" 1
573 1 52 LEU H 1 53 ALA MB 5.000 . 6.000 4.491 4.327 4.607 . 0 0 "[ . 1 . 2]" 1
574 1 52 LEU H 1 54 THR H 5.000 . 6.000 4.410 4.271 4.503 . 0 0 "[ . 1 . 2]" 1
575 1 52 LEU H 1 55 LEU QD 5.000 . 6.000 4.050 3.825 4.358 . 0 0 "[ . 1 . 2]" 1
576 1 52 LEU HA 1 53 ALA H 3.500 . 4.500 3.581 3.567 3.596 . 0 0 "[ . 1 . 2]" 1
577 1 52 LEU HA 1 55 LEU H 3.500 . 4.500 3.793 3.522 4.108 . 0 0 "[ . 1 . 2]" 1
578 1 52 LEU QB 1 53 ALA H 2.800 . 3.500 3.027 2.914 3.233 . 0 0 "[ . 1 . 2]" 1
579 1 52 LEU QB 1 55 LEU QD 5.000 . 6.000 4.565 4.225 4.804 . 0 0 "[ . 1 . 2]" 1
580 1 52 LEU QB 1 62 VAL QG 5.000 . 6.000 2.662 2.071 2.976 . 0 0 "[ . 1 . 2]" 1
581 1 52 LEU HB2 1 53 ALA H 3.500 . 4.500 3.140 2.991 3.439 . 0 0 "[ . 1 . 2]" 1
582 1 52 LEU HB3 1 53 ALA H 3.500 . 4.500 3.983 3.931 4.051 . 0 0 "[ . 1 . 2]" 1
583 1 52 LEU QD 1 53 ALA H 5.000 . 6.000 2.819 2.323 3.051 . 0 0 "[ . 1 . 2]" 1
584 1 52 LEU QD 1 56 LYS QE 5.000 . 6.000 4.753 3.732 5.991 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU QD 1 64 TYR H 5.000 . 6.000 5.996 5.873 6.053 0.053 11 0 "[ . 1 . 2]" 1
586 1 52 LEU HG 1 53 ALA H 3.500 . 4.500 1.791 1.707 2.058 0.093 14 0 "[ . 1 . 2]" 1
587 1 52 LEU HG 1 55 LEU QD 5.000 . 6.000 5.389 5.163 5.619 . 0 0 "[ . 1 . 2]" 1
588 1 53 ALA H 1 53 ALA HA 2.800 . 3.500 2.797 2.782 2.838 . 0 0 "[ . 1 . 2]" 1
589 1 53 ALA H 1 54 THR H 2.800 . 3.500 2.820 2.668 2.893 . 0 0 "[ . 1 . 2]" 1
590 1 53 ALA H 1 55 LEU H 5.000 . 6.000 4.368 4.221 4.445 . 0 0 "[ . 1 . 2]" 1
591 1 53 ALA H 1 56 LYS H 5.000 . 6.000 4.678 4.518 4.843 . 0 0 "[ . 1 . 2]" 1
592 1 53 ALA HA 1 54 THR H 3.500 . 4.500 3.561 3.524 3.572 . 0 0 "[ . 1 . 2]" 1
593 1 53 ALA HA 1 57 LYS H 3.500 . 4.500 4.481 4.352 4.550 0.050 14 0 "[ . 1 . 2]" 1
594 1 53 ALA MB 1 54 THR H 3.500 . 4.500 2.449 2.362 2.646 . 0 0 "[ . 1 . 2]" 1
595 1 54 THR H 1 54 THR HA 2.800 . 3.500 2.845 2.832 2.857 . 0 0 "[ . 1 . 2]" 1
596 1 54 THR H 1 54 THR HB 2.800 . 3.500 2.786 2.332 3.559 0.059 20 0 "[ . 1 . 2]" 1
597 1 54 THR H 1 54 THR MG 3.500 . 4.500 3.371 2.132 3.752 . 0 0 "[ . 1 . 2]" 1
598 1 54 THR H 1 55 LEU H 2.800 . 3.500 2.701 2.626 2.772 . 0 0 "[ . 1 . 2]" 1
599 1 54 THR H 1 56 LYS H 5.000 . 6.000 4.147 4.005 4.278 . 0 0 "[ . 1 . 2]" 1
600 1 54 THR H 1 57 LYS QG 5.000 . 6.000 5.438 4.294 6.055 0.055 18 0 "[ . 1 . 2]" 1
601 1 54 THR HA 1 55 LEU H 5.000 . 6.000 3.569 3.557 3.586 . 0 0 "[ . 1 . 2]" 1
602 1 54 THR HA 1 57 LYS H 3.500 . 4.500 3.626 3.494 3.775 . 0 0 "[ . 1 . 2]" 1
603 1 54 THR HB 1 55 LEU H 2.800 . 3.500 2.681 2.383 3.488 . 0 0 "[ . 1 . 2]" 1
604 1 55 LEU H 1 55 LEU HA 2.800 . 3.500 2.815 2.795 2.827 . 0 0 "[ . 1 . 2]" 1
605 1 55 LEU H 1 55 LEU HB2 2.800 . 3.500 2.277 2.155 2.427 . 0 0 "[ . 1 . 2]" 1
606 1 55 LEU H 1 55 LEU HB3 2.800 . 3.500 3.528 3.474 3.565 0.065 8 0 "[ . 1 . 2]" 1
607 1 55 LEU H 1 55 LEU MD1 5.000 . 6.000 2.417 1.775 3.566 0.025 17 0 "[ . 1 . 2]" 1
608 1 55 LEU H 1 55 LEU MD2 5.000 . 6.000 3.567 3.317 4.116 . 0 0 "[ . 1 . 2]" 1
609 1 55 LEU H 1 55 LEU HG 3.500 . 4.500 3.352 2.155 4.148 . 0 0 "[ . 1 . 2]" 1
610 1 55 LEU H 1 56 LYS H 2.800 . 3.500 2.742 2.677 2.797 . 0 0 "[ . 1 . 2]" 1
611 1 55 LEU HA 1 57 LYS H 5.000 . 6.000 3.988 3.696 4.302 . 0 0 "[ . 1 . 2]" 1
612 1 55 LEU HA 1 58 THR H 3.500 . 4.500 4.355 4.014 4.515 0.015 20 0 "[ . 1 . 2]" 1
613 1 55 LEU QB 1 56 LYS H 3.500 . 4.500 2.621 2.510 2.779 . 0 0 "[ . 1 . 2]" 1
614 1 55 LEU QB 1 57 LYS H 5.000 . 6.000 4.463 4.267 4.664 . 0 0 "[ . 1 . 2]" 1
615 1 55 LEU QD 1 56 LYS H 5.000 . 6.000 3.899 3.733 4.146 . 0 0 "[ . 1 . 2]" 1
616 1 55 LEU QD 1 58 THR H 5.000 . 6.000 5.469 5.193 5.705 . 0 0 "[ . 1 . 2]" 1
617 1 55 LEU QD 1 62 VAL QG 5.000 . 6.000 2.135 1.804 2.660 . 0 0 "[ . 1 . 2]" 1
618 1 55 LEU QD 1 63 SER QB 5.000 . 6.000 5.793 5.255 6.024 0.024 10 0 "[ . 1 . 2]" 1
619 1 56 LYS H 1 56 LYS HB2 3.500 . 4.500 2.652 2.116 3.585 . 0 0 "[ . 1 . 2]" 1
620 1 56 LYS H 1 56 LYS QB 2.800 . 3.500 2.262 2.085 2.380 . 0 0 "[ . 1 . 2]" 1
621 1 56 LYS H 1 56 LYS HB3 3.500 . 4.500 3.034 2.219 3.595 . 0 0 "[ . 1 . 2]" 1
622 1 56 LYS H 1 56 LYS QD 2.800 . 3.500 3.500 3.305 3.543 0.043 15 0 "[ . 1 . 2]" 1
623 1 56 LYS H 1 56 LYS QG 3.500 . 4.500 2.923 2.239 4.052 . 0 0 "[ . 1 . 2]" 1
624 1 56 LYS H 1 57 LYS H 3.500 . 4.500 2.614 2.526 2.706 . 0 0 "[ . 1 . 2]" 1
625 1 56 LYS H 1 57 LYS QB 5.000 . 6.000 4.378 4.216 4.688 . 0 0 "[ . 1 . 2]" 1
626 1 56 LYS H 1 58 THR H 5.000 . 6.000 4.809 4.633 5.013 . 0 0 "[ . 1 . 2]" 1
627 1 56 LYS H 1 62 VAL QG 5.000 . 6.000 3.549 2.828 4.354 . 0 0 "[ . 1 . 2]" 1
628 1 56 LYS HA 1 57 LYS H 5.000 . 6.000 3.451 3.339 3.526 . 0 0 "[ . 1 . 2]" 1
629 1 56 LYS HA 1 59 GLY H 5.000 . 6.000 2.922 2.660 3.333 . 0 0 "[ . 1 . 2]" 1
630 1 57 LYS H 1 57 LYS HA 2.800 . 3.500 2.718 2.634 2.815 . 0 0 "[ . 1 . 2]" 1
631 1 57 LYS H 1 57 LYS HB2 2.800 . 3.500 2.212 2.086 2.604 . 0 0 "[ . 1 . 2]" 1
632 1 57 LYS H 1 57 LYS HB3 2.800 . 3.500 3.305 2.973 3.619 0.119 11 0 "[ . 1 . 2]" 1
633 1 57 LYS H 1 57 LYS QD 3.500 . 4.500 4.105 2.378 4.497 . 0 0 "[ . 1 . 2]" 1
634 1 57 LYS H 1 57 LYS QE 5.000 . 6.000 5.327 4.201 5.982 . 0 0 "[ . 1 . 2]" 1
635 1 57 LYS H 1 57 LYS HG2 3.500 . 4.500 3.645 2.124 4.547 0.047 13 0 "[ . 1 . 2]" 1
636 1 57 LYS H 1 57 LYS HG3 3.500 . 4.500 3.931 3.116 4.470 . 0 0 "[ . 1 . 2]" 1
637 1 57 LYS H 1 58 THR H 2.800 . 3.500 3.011 2.747 3.219 . 0 0 "[ . 1 . 2]" 1
638 1 57 LYS HA 1 58 THR H 3.500 . 4.500 3.574 3.549 3.592 . 0 0 "[ . 1 . 2]" 1
639 1 57 LYS HA 1 59 GLY H 5.000 . 6.000 4.114 3.610 4.652 . 0 0 "[ . 1 . 2]" 1
640 1 57 LYS QB 1 59 GLY H 5.000 . 6.000 4.325 4.193 4.554 . 0 0 "[ . 1 . 2]" 1
641 1 57 LYS HB2 1 58 THR H 3.500 . 4.500 3.146 2.463 3.572 . 0 0 "[ . 1 . 2]" 1
642 1 57 LYS HB3 1 58 THR H 3.500 . 4.500 2.821 2.471 3.357 . 0 0 "[ . 1 . 2]" 1
643 1 57 LYS QD 1 58 THR H 5.000 . 6.000 4.427 3.676 5.110 . 0 0 "[ . 1 . 2]" 1
644 1 57 LYS HG2 1 58 THR H 5.000 . 6.000 4.807 4.455 5.199 . 0 0 "[ . 1 . 2]" 1
645 1 57 LYS HG3 1 58 THR H 5.000 . 6.000 4.937 4.446 5.144 . 0 0 "[ . 1 . 2]" 1
646 1 58 THR H 1 58 THR HB 3.500 . 4.500 3.240 3.098 3.523 . 0 0 "[ . 1 . 2]" 1
647 1 58 THR H 1 58 THR HG1 2.800 . 3.500 2.736 1.814 3.572 0.072 17 0 "[ . 1 . 2]" 1
648 1 58 THR H 1 58 THR MG 2.800 . 3.500 3.149 1.704 3.550 0.096 2 0 "[ . 1 . 2]" 1
649 1 58 THR H 1 59 GLY H 2.800 . 3.500 2.417 2.302 2.674 . 0 0 "[ . 1 . 2]" 1
650 1 58 THR HA 1 59 GLY H 3.500 . 4.500 3.373 3.144 3.528 . 0 0 "[ . 1 . 2]" 1
651 1 58 THR HA 1 60 ALA H 5.000 . 6.000 4.674 4.330 4.893 . 0 0 "[ . 1 . 2]" 1
652 1 58 THR HB 1 59 GLY H 3.500 . 4.500 3.702 2.987 4.588 0.088 17 0 "[ . 1 . 2]" 1
653 1 58 THR HG1 1 59 GLY H 5.000 . 6.000 4.117 2.777 5.107 . 0 0 "[ . 1 . 2]" 1
654 1 58 THR MG 1 59 GLY H 5.000 . 6.000 4.147 2.420 4.462 . 0 0 "[ . 1 . 2]" 1
655 1 59 GLY H 1 59 GLY HA2 2.800 . 3.500 2.375 2.308 2.469 . 0 0 "[ . 1 . 2]" 1
656 1 59 GLY H 1 59 GLY HA3 2.800 . 3.500 2.926 2.861 2.962 . 0 0 "[ . 1 . 2]" 1
657 1 59 GLY H 1 60 ALA H 2.800 . 3.500 2.229 1.917 2.541 . 0 0 "[ . 1 . 2]" 1
658 1 59 GLY H 1 60 ALA MB 5.000 . 6.000 3.928 3.642 4.231 . 0 0 "[ . 1 . 2]" 1
659 1 59 GLY HA2 1 60 ALA H 3.500 . 4.500 3.124 3.114 3.144 . 0 0 "[ . 1 . 2]" 1
660 1 59 GLY HA3 1 60 ALA H 3.500 . 4.500 3.415 3.380 3.428 . 0 0 "[ . 1 . 2]" 1
661 1 60 ALA H 1 60 ALA HA 2.800 . 3.500 2.877 2.871 2.888 . 0 0 "[ . 1 . 2]" 1
662 1 60 ALA H 1 60 ALA MB 2.800 . 3.500 2.165 2.054 2.254 . 0 0 "[ . 1 . 2]" 1
663 1 60 ALA H 1 61 THR H 5.000 . 6.000 4.607 4.543 4.625 . 0 0 "[ . 1 . 2]" 1
664 1 60 ALA HA 1 61 THR H 2.200 . 2.500 2.231 2.158 2.265 . 0 0 "[ . 1 . 2]" 1
665 1 60 ALA MB 1 61 THR H 3.500 . 4.500 2.851 2.718 3.126 . 0 0 "[ . 1 . 2]" 1
666 1 61 THR H 1 61 THR HA 2.800 . 3.500 2.831 2.803 2.880 . 0 0 "[ . 1 . 2]" 1
667 1 61 THR H 1 61 THR HB 2.800 . 3.500 3.005 2.423 3.537 0.037 2 0 "[ . 1 . 2]" 1
668 1 61 THR H 1 61 THR MG 3.500 . 4.500 3.098 1.876 3.747 . 0 0 "[ . 1 . 2]" 1
669 1 61 THR H 1 62 VAL QG 5.000 . 6.000 5.010 4.315 5.653 . 0 0 "[ . 1 . 2]" 1
670 1 61 THR HA 1 62 VAL H 2.200 . 2.500 2.172 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
671 1 61 THR HB 1 62 VAL H 5.000 . 6.000 3.808 3.349 4.365 . 0 0 "[ . 1 . 2]" 1
672 1 61 THR MG 1 62 VAL H 5.000 . 6.000 3.114 2.270 4.175 . 0 0 "[ . 1 . 2]" 1
673 1 62 VAL H 1 62 VAL HA 2.800 . 3.500 2.954 2.942 2.960 . 0 0 "[ . 1 . 2]" 1
674 1 62 VAL H 1 62 VAL HB 2.800 . 3.500 2.927 2.361 3.678 0.178 2 0 "[ . 1 . 2]" 1
675 1 62 VAL HA 1 63 SER H 2.200 . 2.500 2.202 2.158 2.326 . 0 0 "[ . 1 . 2]" 1
676 1 62 VAL MG1 1 63 SER H 5.000 . 6.000 3.332 2.320 4.180 . 0 0 "[ . 1 . 2]" 1
677 1 62 VAL MG2 1 63 SER H 5.000 . 6.000 3.048 1.975 3.978 . 0 0 "[ . 1 . 2]" 1
678 1 63 SER H 1 63 SER HA 2.800 . 3.500 2.947 2.943 2.961 . 0 0 "[ . 1 . 2]" 1
679 1 63 SER H 1 63 SER HB2 3.500 . 4.500 2.956 2.527 3.578 . 0 0 "[ . 1 . 2]" 1
680 1 63 SER H 1 63 SER HB3 3.500 . 4.500 3.227 2.589 3.864 . 0 0 "[ . 1 . 2]" 1
681 1 63 SER HA 1 64 TYR H 2.200 . 2.500 2.153 2.144 2.181 . 0 0 "[ . 1 . 2]" 1
682 1 63 SER HB2 1 64 TYR H 3.500 . 4.500 4.331 4.064 4.526 0.026 5 0 "[ . 1 . 2]" 1
683 1 63 SER HB3 1 64 TYR H 3.500 . 4.500 3.891 3.394 4.493 . 0 0 "[ . 1 . 2]" 1
684 1 64 TYR H 1 64 TYR HA 2.800 . 3.500 2.902 2.878 2.934 . 0 0 "[ . 1 . 2]" 1
685 1 64 TYR H 1 64 TYR QB 2.800 . 3.500 2.249 2.133 2.411 . 0 0 "[ . 1 . 2]" 1
686 1 64 TYR H 1 64 TYR QD 3.500 . 4.500 3.086 2.036 4.146 . 0 0 "[ . 1 . 2]" 1
687 1 64 TYR H 1 65 LEU H 3.500 . 4.500 4.463 4.285 4.554 0.054 7 0 "[ . 1 . 2]" 1
688 1 64 TYR HA 1 65 LEU H 2.200 . 2.500 2.161 2.142 2.199 . 0 0 "[ . 1 . 2]" 1
689 1 64 TYR QB 1 65 LEU H 3.500 . 4.500 3.497 3.105 3.946 . 0 0 "[ . 1 . 2]" 1
690 1 64 TYR QB 1 65 LEU QD 5.000 . 6.000 4.910 4.111 5.369 . 0 0 "[ . 1 . 2]" 1
691 1 64 TYR QD 1 65 LEU H 3.500 . 4.500 3.268 2.571 3.907 . 0 0 "[ . 1 . 2]" 1
692 1 64 TYR QD 1 66 GLY H 5.000 . 6.000 2.733 2.002 3.713 . 0 0 "[ . 1 . 2]" 1
693 1 65 LEU H 1 65 LEU QB 3.500 . 4.500 2.423 2.217 2.687 . 0 0 "[ . 1 . 2]" 1
694 1 65 LEU H 1 65 LEU HG 3.500 . 4.500 2.586 1.837 3.937 . 0 0 "[ . 1 . 2]" 1
695 1 65 LEU H 1 66 GLY H 3.500 . 4.500 2.354 2.093 2.571 . 0 0 "[ . 1 . 2]" 1
696 1 65 LEU H 1 66 GLY QA 5.000 . 6.000 4.296 4.138 4.454 . 0 0 "[ . 1 . 2]" 1
697 1 65 LEU HA 1 66 GLY H 3.500 . 4.500 3.539 3.426 3.572 . 0 0 "[ . 1 . 2]" 1
698 1 65 LEU QB 1 66 GLY H 3.500 . 4.500 2.562 2.320 3.058 . 0 0 "[ . 1 . 2]" 1
699 1 65 LEU QD 1 66 GLY H 5.000 . 6.000 3.958 3.556 4.206 . 0 0 "[ . 1 . 2]" 1
700 1 66 GLY H 1 66 GLY HA2 2.800 . 3.500 2.608 2.493 2.730 . 0 0 "[ . 1 . 2]" 1
701 1 66 GLY H 1 66 GLY HA3 2.800 . 3.500 2.934 2.881 2.963 . 0 0 "[ . 1 . 2]" 1
702 1 66 GLY H 1 67 LEU H 3.500 . 4.500 4.364 4.149 4.470 . 0 0 "[ . 1 . 2]" 1
703 1 66 GLY HA2 1 67 LEU H 2.800 . 3.500 2.616 2.272 3.086 . 0 0 "[ . 1 . 2]" 1
704 1 66 GLY HA3 1 67 LEU H 2.800 . 3.500 2.560 2.193 2.960 . 0 0 "[ . 1 . 2]" 1
705 1 67 LEU H 1 67 LEU HA 2.800 . 3.500 2.939 2.917 2.959 . 0 0 "[ . 1 . 2]" 1
706 1 67 LEU H 1 67 LEU QB 2.800 . 3.500 2.480 2.236 3.111 . 0 0 "[ . 1 . 2]" 1
707 1 67 LEU H 1 67 LEU MD1 5.000 . 6.000 3.399 1.791 4.660 0.009 20 0 "[ . 1 . 2]" 1
708 1 67 LEU H 1 67 LEU MD2 5.000 . 6.000 3.871 1.970 4.428 . 0 0 "[ . 1 . 2]" 1
709 1 67 LEU H 1 68 GLU H 5.000 . 6.000 4.504 4.362 4.592 . 0 0 "[ . 1 . 2]" 1
710 1 67 LEU HA 1 68 GLU H 2.800 . 3.500 2.239 2.157 2.292 . 0 0 "[ . 1 . 2]" 1
711 1 67 LEU QB 1 68 GLU H 3.500 . 4.500 3.010 2.690 3.707 . 0 0 "[ . 1 . 2]" 1
712 1 68 GLU H 1 68 GLU HA 2.800 . 3.500 2.767 2.299 2.960 . 0 0 "[ . 1 . 2]" 1
713 1 68 GLU H 1 68 GLU HB2 2.800 . 3.500 2.789 2.139 3.380 . 0 0 "[ . 1 . 2]" 1
714 1 68 GLU H 1 68 GLU HB3 2.800 . 3.500 3.095 2.492 3.573 0.073 19 0 "[ . 1 . 2]" 1
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