NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487129 |
2l1r   |
17103 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1r
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 704
_Distance_constraint_stats_list.Viol_count 803
_Distance_constraint_stats_list.Viol_total 931.222
_Distance_constraint_stats_list.Viol_max 0.739
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0580
_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 3 ASP 1.213 0.216 13 0 "[ . 1 . 2]"
1 4 ILE 1.666 0.216 13 0 "[ . 1 . 2]"
1 5 TYR 0.205 0.043 11 0 "[ . 1 . 2]"
1 6 LYS 1.347 0.095 7 0 "[ . 1 . 2]"
1 7 ALA 0.149 0.060 10 0 "[ . 1 . 2]"
1 8 ALA 0.787 0.113 20 0 "[ . 1 . 2]"
1 9 VAL 1.037 0.072 1 0 "[ . 1 . 2]"
1 10 GLU 0.207 0.072 7 0 "[ . 1 . 2]"
1 11 GLN 0.716 0.250 8 0 "[ . 1 . 2]"
1 12 LEU 1.590 0.144 7 0 "[ . 1 . 2]"
1 13 THR 4.927 0.327 5 0 "[ . 1 . 2]"
1 14 GLU 3.122 0.185 1 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 4.578 0.270 7 0 "[ . 1 . 2]"
1 17 LYS 3.584 0.175 9 0 "[ . 1 . 2]"
1 18 ASN 0.250 0.135 17 0 "[ . 1 . 2]"
1 19 GLU 0.424 0.094 5 0 "[ . 1 . 2]"
1 20 PHE 1.738 0.142 1 0 "[ . 1 . 2]"
1 21 LYS 0.602 0.120 3 0 "[ . 1 . 2]"
1 22 ALA 0.543 0.120 3 0 "[ . 1 . 2]"
1 23 ALA 0.508 0.071 20 0 "[ . 1 . 2]"
1 24 PHE 0.345 0.046 11 0 "[ . 1 . 2]"
1 25 ASP 0.009 0.009 14 0 "[ . 1 . 2]"
1 26 ILE 0.197 0.078 1 0 "[ . 1 . 2]"
1 27 PHE 0.245 0.048 10 0 "[ . 1 . 2]"
1 28 VAL 0.545 0.079 2 0 "[ . 1 . 2]"
1 29 LEU 0.910 0.120 9 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 1.403 0.079 2 0 "[ . 1 . 2]"
1 32 GLU 0.195 0.094 18 0 "[ . 1 . 2]"
1 33 ASP 0.177 0.094 18 0 "[ . 1 . 2]"
1 34 GLY 0.107 0.044 13 0 "[ . 1 . 2]"
1 35 CYS 0.341 0.070 16 0 "[ . 1 . 2]"
1 36 ILE 0.458 0.169 6 0 "[ . 1 . 2]"
1 37 SER 0.802 0.739 12 1 "[ . 1 + . 2]"
1 38 THR 0.416 0.086 11 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.436 0.169 6 0 "[ . 1 . 2]"
1 41 LEU 4.773 0.191 11 0 "[ . 1 . 2]"
1 42 GLY 2.852 0.191 11 0 "[ . 1 . 2]"
1 43 LYS 0.054 0.054 2 0 "[ . 1 . 2]"
1 44 VAL 0.259 0.081 16 0 "[ . 1 . 2]"
1 45 MET 0.978 0.209 9 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 MET 0.013 0.013 7 0 "[ . 1 . 2]"
1 48 LEU 1.476 0.184 11 0 "[ . 1 . 2]"
1 49 GLY 0.376 0.091 16 0 "[ . 1 . 2]"
1 50 GLN 0.931 0.101 10 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.619 0.097 7 0 "[ . 1 . 2]"
1 53 THR 3.839 0.659 18 4 "[ *- 1 . + *]"
1 54 PRO 2.970 0.659 18 4 "[ *- 1 . + *]"
1 55 GLU 0.570 0.095 9 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 3.492 0.183 1 0 "[ . 1 . 2]"
1 58 GLN 1.838 0.136 18 0 "[ . 1 . 2]"
1 59 GLU 0.211 0.058 9 0 "[ . 1 . 2]"
1 60 MET 2.031 0.183 1 0 "[ . 1 . 2]"
1 61 ILE 2.256 0.136 18 0 "[ . 1 . 2]"
1 62 ASP 0.289 0.061 6 0 "[ . 1 . 2]"
1 63 GLU 0.220 0.086 8 0 "[ . 1 . 2]"
1 64 VAL 0.323 0.086 8 0 "[ . 1 . 2]"
1 65 ASP 0.260 0.061 6 0 "[ . 1 . 2]"
1 66 GLU 0.105 0.061 1 0 "[ . 1 . 2]"
1 67 ASP 1.353 0.227 14 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 1.905 0.227 14 0 "[ . 1 . 2]"
1 71 THR 1.717 0.739 12 1 "[ . 1 + . 2]"
1 72 VAL 1.789 0.118 9 0 "[ . 1 . 2]"
1 73 ASP 0.038 0.025 9 0 "[ . 1 . 2]"
1 74 PHE 0.895 0.111 2 0 "[ . 1 . 2]"
1 75 ASP 0.791 0.111 2 0 "[ . 1 . 2]"
1 76 GLU 0.378 0.077 17 0 "[ . 1 . 2]"
1 77 PHE 0.029 0.017 9 0 "[ . 1 . 2]"
1 78 LEU 1.123 0.142 1 0 "[ . 1 . 2]"
1 79 VAL 0.267 0.057 4 0 "[ . 1 . 2]"
1 80 MET 0.072 0.034 20 0 "[ . 1 . 2]"
1 81 MET 1.774 0.106 10 0 "[ . 1 . 2]"
1 82 VAL 1.025 0.113 20 0 "[ . 1 . 2]"
1 83 ARG 0.284 0.057 4 0 "[ . 1 . 2]"
1 84 CYS 0.226 0.064 9 0 "[ . 1 . 2]"
1 85 MET 0.055 0.036 2 0 "[ . 1 . 2]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 VAL 0.098 0.098 6 0 "[ . 1 . 2]"
2 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ILE 1.578 0.182 18 0 "[ . 1 . 2]"
2 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ALA 0.241 0.064 9 0 "[ . 1 . 2]"
2 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 MET 0.047 0.026 1 0 "[ . 1 . 2]"
2 11 MET 0.020 0.012 16 0 "[ . 1 . 2]"
2 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.110 0.081 16 0 "[ . 1 . 2]"
2 14 LEU 0.054 0.039 15 0 "[ . 1 . 2]"
2 15 LEU 0.080 0.039 15 0 "[ . 1 . 2]"
2 16 GLY 0.124 0.055 2 0 "[ . 1 . 2]"
2 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 ALA 0.143 0.055 2 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 3 ASP H 1 4 ILE H 6.000 . 6.000 3.026 1.896 4.425 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP HA 1 4 ILE H 4.450 . 4.450 3.055 2.227 3.596 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASP HA 1 6 LYS QB 4.020 . 4.020 3.089 1.937 4.115 0.095 7 0 "[ . 1 . 2]" 1
4 1 3 ASP QB 1 4 ILE H 4.810 . 4.810 3.301 1.972 3.946 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP QB 1 4 ILE QG 4.250 . 4.250 3.984 2.981 4.466 0.216 13 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 4 ILE HB 3.910 . 3.910 2.513 2.201 3.583 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE QG 4.510 . 4.510 2.543 1.910 4.023 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 4 ILE QG 3.720 . 3.720 2.213 1.812 2.729 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 5 TYR H . . 4.850 2.630 2.199 3.031 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE HA 1 4 ILE MD 4.590 . 4.590 3.550 1.973 4.133 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE HA 1 4 ILE QG . . 3.090 2.175 2.045 2.527 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE HA 1 5 TYR H 5.230 . 5.230 3.586 3.534 3.609 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE HA 1 7 ALA MB 3.260 . 3.260 2.932 2.444 3.320 0.060 10 0 "[ . 1 . 2]" 1
14 1 4 ILE HB 1 4 ILE MD 3.100 . 3.100 2.135 1.906 3.185 0.085 10 0 "[ . 1 . 2]" 1
15 1 4 ILE HB 1 5 TYR H 4.730 . 4.730 2.784 2.170 3.903 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE MD 1 4 ILE QG 2.200 . 2.200 1.832 1.716 1.902 0.084 10 0 "[ . 1 . 2]" 1
17 1 4 ILE MD 1 5 TYR QE 5.620 . 5.620 4.861 2.592 5.659 0.039 10 0 "[ . 1 . 2]" 1
18 1 4 ILE QG 1 5 TYR H 4.640 . 4.640 2.820 1.884 3.352 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE QG 1 5 TYR H 4.950 . 4.950 3.821 1.903 4.275 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE QG 1 6 LYS H 5.680 . 5.680 5.376 4.081 5.770 0.090 4 0 "[ . 1 . 2]" 1
21 1 4 ILE MG 1 5 TYR QD 6.000 . 6.000 3.825 1.929 4.851 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE MG 1 5 TYR QE 5.910 . 5.910 4.335 2.983 5.570 . 0 0 "[ . 1 . 2]" 1
23 1 5 TYR H 1 6 LYS H . . 4.120 2.608 2.229 2.807 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR HA 1 5 TYR QD 4.100 . 4.100 2.427 1.970 2.975 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR HA 1 5 TYR QE 6.000 . 6.000 4.268 4.126 4.505 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR HA 1 6 LYS H 5.130 . 5.130 3.557 3.488 3.587 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HA 1 8 ALA H 5.700 . 5.700 3.583 3.329 4.080 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR HA 1 8 ALA MB 3.330 . 3.330 2.969 2.446 3.366 0.036 19 0 "[ . 1 . 2]" 1
29 1 5 TYR QB 1 6 LYS H 4.670 . 4.670 2.702 2.504 2.932 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR QB 1 79 VAL QG . . 4.050 2.782 1.918 3.997 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR QB 1 82 VAL QG 4.190 . 4.190 3.195 1.956 4.233 0.043 11 0 "[ . 1 . 2]" 1
32 1 5 TYR QD 1 8 ALA MB 5.210 . 5.210 3.885 3.382 4.804 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR QD 1 79 VAL QG 5.440 . 5.440 3.780 2.810 5.079 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR QD 1 82 VAL QG . . 4.100 2.426 1.817 3.697 . 0 0 "[ . 1 . 2]" 1
35 1 5 TYR QE 1 8 ALA MB 6.000 . 6.000 5.202 4.654 5.862 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR QE 1 82 VAL QG 5.200 . 5.200 3.437 2.269 4.992 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR QE 1 83 ARG HA 5.120 . 5.120 2.771 1.818 4.532 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 6 LYS QB 2.960 . 2.960 2.056 1.923 2.218 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 6 LYS HE3 4.810 . 4.810 4.398 2.959 4.887 0.077 19 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS QG 3.980 . 3.980 3.683 2.675 3.942 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 6 LYS QB 2.740 . 2.740 2.490 2.370 2.554 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 6 LYS HG3 3.680 . 3.680 2.499 1.948 3.319 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HA 1 7 ALA H 5.120 . 5.120 3.568 3.531 3.594 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 9 VAL HB . . 3.130 2.767 2.038 3.163 0.033 3 0 "[ . 1 . 2]" 1
45 1 6 LYS QB 1 6 LYS QZ 4.250 . 4.250 2.966 1.849 3.901 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS QG 1 9 VAL QG 4.120 . 4.120 3.258 2.278 3.689 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HG3 1 9 VAL QG 3.810 . 3.810 3.729 3.167 3.882 0.072 1 0 "[ . 1 . 2]" 1
48 1 7 ALA H 1 7 ALA MB 2.610 . 2.610 2.112 1.976 2.168 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA H 1 8 ALA H 4.310 . 4.310 2.788 2.642 2.946 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA HA 1 7 ALA MB 2.490 . 2.490 2.151 2.128 2.163 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA MB 1 8 ALA H 3.200 . 3.200 2.502 2.346 2.667 . 0 0 "[ . 1 . 2]" 1
52 1 8 ALA H 1 8 ALA MB 2.980 . 2.980 2.061 1.935 2.156 . 0 0 "[ . 1 . 2]" 1
53 1 8 ALA H 1 9 VAL H . . 4.130 2.674 2.551 2.768 . 0 0 "[ . 1 . 2]" 1
54 1 8 ALA H 1 9 VAL HB 5.720 . 5.720 4.654 4.481 4.841 . 0 0 "[ . 1 . 2]" 1
55 1 8 ALA HA 1 8 ALA MB . . 2.620 2.143 2.117 2.159 . 0 0 "[ . 1 . 2]" 1
56 1 8 ALA MB 1 9 VAL H 3.280 . 3.280 2.598 2.403 3.038 . 0 0 "[ . 1 . 2]" 1
57 1 8 ALA MB 1 82 VAL HB 3.450 . 3.450 3.168 1.843 3.563 0.113 20 0 "[ . 1 . 2]" 1
58 1 8 ALA MB 1 82 VAL QG 2.730 . 2.730 2.082 1.775 2.772 0.042 1 0 "[ . 1 . 2]" 1
59 1 9 VAL H 1 9 VAL HB 3.210 . 3.210 2.298 2.089 2.507 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL H 1 9 VAL QG 2.820 . 2.820 2.264 1.959 2.642 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL H 1 10 GLU H 4.690 . 4.690 2.665 2.392 2.840 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL HA 1 9 VAL QG 3.010 . 3.010 2.094 2.004 2.170 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL HA 1 10 GLU H 5.810 . 5.810 3.566 3.499 3.594 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL HA 1 11 GLN H 6.000 . 6.000 4.327 3.962 4.923 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL HA 1 12 LEU H 5.200 . 5.200 4.246 3.285 5.245 0.045 18 0 "[ . 1 . 2]" 1
66 1 9 VAL HA 1 12 LEU QD 3.590 . 3.590 2.051 1.766 2.835 0.034 18 0 "[ . 1 . 2]" 1
67 1 9 VAL HA 1 12 LEU HG 3.830 . 3.830 3.330 2.113 3.879 0.049 14 0 "[ . 1 . 2]" 1
68 1 9 VAL HA 1 82 VAL QG 4.110 . 4.110 3.410 2.025 4.170 0.060 9 0 "[ . 1 . 2]" 1
69 1 9 VAL HB 1 10 GLU H 3.700 . 3.700 2.692 2.355 3.750 0.050 18 0 "[ . 1 . 2]" 1
70 1 9 VAL QG 1 10 GLU H 4.000 . 4.000 3.048 2.212 3.354 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL QG 1 10 GLU HA 4.070 . 4.070 3.426 2.917 3.861 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL QG 1 78 LEU QD . . 2.840 2.391 1.793 2.880 0.040 3 0 "[ . 1 . 2]" 1
73 1 10 GLU H 1 10 GLU QB 2.900 . 2.900 2.138 1.948 2.296 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 10 GLU QG 4.600 . 4.600 2.798 2.240 3.695 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 10 GLU HG3 . . 3.860 3.073 2.260 3.932 0.072 7 0 "[ . 1 . 2]" 1
76 1 10 GLU H 1 11 GLN H 4.300 . 4.300 2.608 2.387 2.812 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU HA 1 10 GLU QB 2.610 . 2.610 2.470 2.398 2.544 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU HA 1 11 GLN H 4.520 . 4.520 3.533 3.363 3.604 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU QB 1 10 GLU HG2 2.790 . 2.790 2.281 2.172 2.486 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLU QB 1 10 GLU HG3 2.600 . 2.600 2.414 2.199 2.527 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU QB 1 11 GLN H 3.800 . 3.800 2.793 2.417 3.315 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLN H 1 11 GLN HA 3.010 . 3.010 2.941 2.847 3.005 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN H 1 11 GLN QB . . 3.340 2.175 1.941 3.067 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLN H 1 11 GLN QG 3.720 . 3.720 3.276 2.133 3.970 0.250 8 0 "[ . 1 . 2]" 1
85 1 11 GLN H 1 12 LEU QB 6.000 . 6.000 4.512 3.963 5.253 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLN HA 1 11 GLN QG 3.030 . 3.030 2.187 1.945 3.277 0.247 20 0 "[ . 1 . 2]" 1
87 1 11 GLN HA 1 12 LEU H 4.950 . 4.950 3.202 2.418 3.603 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU H 1 12 LEU QB 3.510 . 3.510 2.359 1.970 3.018 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU H 1 12 LEU HG 3.500 . 3.500 2.670 1.811 3.526 0.026 5 0 "[ . 1 . 2]" 1
90 1 12 LEU H 1 13 THR H 6.000 . 6.000 4.334 2.510 4.716 . 0 0 "[ . 1 . 2]" 1
91 1 12 LEU QB 1 12 LEU QD . . 2.840 1.872 1.801 1.941 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU QD 1 13 THR H 3.890 . 3.890 2.977 1.952 4.034 0.144 7 0 "[ . 1 . 2]" 1
93 1 12 LEU QD 1 16 GLN QB 3.450 . 3.450 1.997 1.756 2.644 0.044 14 0 "[ . 1 . 2]" 1
94 1 12 LEU QD 1 16 GLN QG 3.350 . 3.350 3.026 2.048 3.482 0.132 14 0 "[ . 1 . 2]" 1
95 1 12 LEU QD 1 16 GLN HG3 4.960 . 4.960 3.771 2.379 4.221 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU QD 1 20 PHE QD . . 3.150 2.940 2.388 3.255 0.105 20 0 "[ . 1 . 2]" 1
97 1 12 LEU QD 1 78 LEU QB 3.490 . 3.490 3.092 2.277 3.626 0.136 18 0 "[ . 1 . 2]" 1
98 1 12 LEU QD 1 78 LEU QD . . 3.110 2.236 1.670 2.934 0.130 18 0 "[ . 1 . 2]" 1
99 1 13 THR H 1 16 GLN H . . 5.300 3.889 3.460 4.890 . 0 0 "[ . 1 . 2]" 1
100 1 13 THR H 1 16 GLN HG3 4.860 . 4.860 4.702 4.099 5.014 0.154 7 0 "[ . 1 . 2]" 1
101 1 13 THR H 1 17 LYS H 5.980 . 5.980 4.328 2.759 5.498 . 0 0 "[ . 1 . 2]" 1
102 1 13 THR HA 1 13 THR HB 2.840 . 2.840 2.609 2.320 3.000 0.160 11 0 "[ . 1 . 2]" 1
103 1 13 THR HA 1 13 THR MG 2.850 . 2.850 2.406 2.071 3.177 0.327 5 0 "[ . 1 . 2]" 1
104 1 13 THR HA 1 14 GLU H 4.010 . 4.010 2.398 2.277 2.618 . 0 0 "[ . 1 . 2]" 1
105 1 13 THR HA 1 14 GLU HA 4.230 . 4.230 4.363 4.327 4.378 0.148 11 0 "[ . 1 . 2]" 1
106 1 13 THR HA 1 15 GLU H 5.360 . 5.360 4.311 4.142 4.555 . 0 0 "[ . 1 . 2]" 1
107 1 13 THR HB 1 14 GLU H 3.860 . 3.860 2.986 2.130 3.907 0.047 5 0 "[ . 1 . 2]" 1
108 1 14 GLU H 1 14 GLU QB 3.760 . 3.760 2.058 1.945 2.183 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU H 1 14 GLU QG 4.940 . 4.940 3.833 3.430 4.025 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLU H 1 15 GLU H 4.890 . 4.890 2.813 2.727 2.919 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU HA 1 14 GLU QB 2.780 . 2.780 2.468 2.305 2.551 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLU HA 1 14 GLU HG3 3.280 . 3.280 2.779 2.264 3.465 0.185 1 0 "[ . 1 . 2]" 1
113 1 14 GLU QB 1 15 GLU H . . 3.270 2.680 2.378 2.922 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLU QG 1 18 ASN QB 4.430 . 4.430 3.927 2.437 4.467 0.037 12 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 15 GLU HA . . 3.030 2.862 2.824 2.960 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU QB . . 3.340 2.309 1.986 2.534 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 15 GLU QG 4.070 . 4.070 2.832 2.253 4.013 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 16 GLN H 4.150 . 4.150 2.774 2.414 2.910 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU HA 1 15 GLU HG3 2.870 . 2.870 2.378 2.139 2.781 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLU HA 1 18 ASN QB 3.880 . 3.880 2.993 2.182 3.780 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU QB 1 15 GLU HG3 2.610 . 2.610 2.500 2.241 2.545 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU QB 1 16 GLN H 3.390 . 3.390 2.391 2.084 2.821 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLN H 1 16 GLN QE 6.000 . 6.000 4.060 2.675 5.357 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLN H 1 16 GLN QG . . 3.400 2.945 2.355 3.567 0.167 13 0 "[ . 1 . 2]" 1
125 1 16 GLN H 1 16 GLN HG3 3.950 . 3.950 3.090 2.380 3.963 0.013 18 0 "[ . 1 . 2]" 1
126 1 16 GLN H 1 17 LYS H 3.670 . 3.670 2.625 2.373 3.087 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLN HA 1 16 GLN QG 3.800 . 3.800 2.229 1.992 3.002 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLN HA 1 16 GLN HG3 2.950 . 2.950 2.539 2.039 3.220 0.270 7 0 "[ . 1 . 2]" 1
129 1 16 GLN HA 1 17 LYS H 3.360 . 3.360 3.512 3.479 3.535 0.175 9 0 "[ . 1 . 2]" 1
130 1 16 GLN HA 1 19 GLU H 5.140 . 5.140 3.503 3.188 3.888 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLN QB 1 16 GLN HG3 . . 2.730 2.422 2.216 2.549 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLN QB 1 17 LYS H 4.430 . 4.430 2.566 2.218 2.908 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLN QG 1 17 LYS H 4.480 . 4.480 4.200 2.950 4.436 . 0 0 "[ . 1 . 2]" 1
134 1 17 LYS H 1 17 LYS QB 3.070 . 3.070 2.128 1.953 2.588 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS H 1 17 LYS QD 4.230 . 4.230 3.852 2.628 4.278 0.048 6 0 "[ . 1 . 2]" 1
136 1 17 LYS H 1 17 LYS QG 4.980 . 4.980 3.295 2.026 3.997 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS H 1 18 ASN QB 5.810 . 5.810 4.387 4.192 4.522 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS HA 1 17 LYS QG 3.440 . 3.440 2.267 1.949 3.310 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS HA 1 18 ASN H 4.200 . 4.200 3.577 3.536 3.596 . 0 0 "[ . 1 . 2]" 1
140 1 17 LYS HA 1 20 PHE H 4.910 . 4.910 3.708 3.416 3.984 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS HA 1 20 PHE QB 3.330 . 3.330 2.960 2.484 3.357 0.027 4 0 "[ . 1 . 2]" 1
142 1 17 LYS HA 1 20 PHE QD 3.510 . 3.510 3.001 2.254 3.536 0.026 6 0 "[ . 1 . 2]" 1
143 1 17 LYS HA 1 74 PHE HZ 5.090 . 5.090 4.081 3.031 5.011 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS HA 1 78 LEU QD 4.070 . 4.070 2.865 2.151 3.537 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS QB 1 17 LYS HE3 4.450 . 4.450 3.610 2.043 4.300 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS QB 1 18 ASN H 3.780 . 3.780 2.542 2.239 3.430 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS QB 1 18 ASN QB 4.390 . 4.390 3.866 3.559 4.525 0.135 17 0 "[ . 1 . 2]" 1
148 1 17 LYS QB 1 78 LEU QD 4.440 . 4.440 3.852 2.664 4.524 0.084 18 0 "[ . 1 . 2]" 1
149 1 17 LYS QD 1 18 ASN H 5.330 . 5.330 4.588 2.741 5.282 . 0 0 "[ . 1 . 2]" 1
150 1 17 LYS QG 1 78 LEU QD 4.040 . 4.040 2.924 1.839 4.113 0.073 17 0 "[ . 1 . 2]" 1
151 1 18 ASN H 1 18 ASN QB 3.330 . 3.330 2.092 1.947 2.184 . 0 0 "[ . 1 . 2]" 1
152 1 18 ASN H 1 19 GLU H 3.920 . 3.920 2.657 2.497 2.827 . 0 0 "[ . 1 . 2]" 1
153 1 18 ASN HA 1 19 GLU H 5.550 . 5.550 3.568 3.528 3.607 . 0 0 "[ . 1 . 2]" 1
154 1 18 ASN HA 1 20 PHE H 6.000 . 6.000 4.571 4.342 4.864 . 0 0 "[ . 1 . 2]" 1
155 1 18 ASN HA 1 21 LYS H 5.250 . 5.250 3.400 3.109 3.601 . 0 0 "[ . 1 . 2]" 1
156 1 18 ASN HA 1 21 LYS QB . . 3.790 2.372 1.886 3.229 . 0 0 "[ . 1 . 2]" 1
157 1 18 ASN HA 1 22 ALA H 6.000 . 6.000 4.219 3.729 4.605 . 0 0 "[ . 1 . 2]" 1
158 1 18 ASN QB 1 19 GLU H 3.900 . 3.900 2.595 2.309 2.821 . 0 0 "[ . 1 . 2]" 1
159 1 18 ASN QB 1 19 GLU QB 4.590 . 4.590 4.084 3.653 4.337 . 0 0 "[ . 1 . 2]" 1
160 1 18 ASN QB 1 20 PHE H 6.000 . 6.000 4.826 4.571 5.044 . 0 0 "[ . 1 . 2]" 1
161 1 19 GLU H 1 19 GLU QB 3.490 . 3.490 2.069 1.949 2.430 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLU H 1 19 GLU HG2 3.990 . 3.990 3.597 1.976 4.084 0.094 5 0 "[ . 1 . 2]" 1
163 1 19 GLU H 1 19 GLU QG 4.770 . 4.770 3.114 1.962 3.794 . 0 0 "[ . 1 . 2]" 1
164 1 19 GLU H 1 20 PHE H . . 3.950 2.768 2.590 2.907 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLU H 1 20 PHE QB 6.000 . 6.000 4.533 4.316 4.804 . 0 0 "[ . 1 . 2]" 1
166 1 19 GLU HA 1 19 GLU HG2 3.640 . 3.640 2.838 2.081 3.685 0.045 20 0 "[ . 1 . 2]" 1
167 1 19 GLU HA 1 22 ALA H . . 4.210 3.716 3.358 4.017 . 0 0 "[ . 1 . 2]" 1
168 1 19 GLU HA 1 22 ALA MB 3.370 . 3.370 3.077 2.605 3.409 0.039 6 0 "[ . 1 . 2]" 1
169 1 19 GLU QB 1 20 PHE H 4.100 . 4.100 2.585 2.409 3.448 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLU QG 1 20 PHE H 6.000 . 6.000 3.815 2.067 4.465 . 0 0 "[ . 1 . 2]" 1
171 1 20 PHE H 1 20 PHE QB 3.520 . 3.520 2.193 2.030 2.363 . 0 0 "[ . 1 . 2]" 1
172 1 20 PHE H 1 21 LYS H 4.600 . 4.600 2.613 2.463 2.728 . 0 0 "[ . 1 . 2]" 1
173 1 20 PHE HA 1 20 PHE QD 4.360 . 4.360 2.020 1.753 2.429 0.047 20 0 "[ . 1 . 2]" 1
174 1 20 PHE HA 1 21 LYS H 6.000 . 6.000 3.556 3.529 3.575 . 0 0 "[ . 1 . 2]" 1
175 1 20 PHE HA 1 23 ALA MB 3.400 . 3.400 2.514 2.140 3.048 . 0 0 "[ . 1 . 2]" 1
176 1 20 PHE QB 1 21 LYS H 4.430 . 4.430 2.682 2.555 2.855 . 0 0 "[ . 1 . 2]" 1
177 1 20 PHE QB 1 24 PHE H 5.690 . 5.690 4.568 4.315 5.019 . 0 0 "[ . 1 . 2]" 1
178 1 20 PHE QB 1 77 PHE QD 5.090 . 5.090 3.006 2.460 3.788 . 0 0 "[ . 1 . 2]" 1
179 1 20 PHE QB 1 78 LEU QD . . 3.160 2.406 1.963 3.302 0.142 1 0 "[ . 1 . 2]" 1
180 1 20 PHE HB3 1 24 PHE QB 4.000 . 4.000 3.971 3.740 4.045 0.045 5 0 "[ . 1 . 2]" 1
181 1 20 PHE QD 1 23 ALA MB 3.210 . 3.210 3.215 3.009 3.281 0.071 20 0 "[ . 1 . 2]" 1
182 1 20 PHE QD 1 78 LEU MD1 4.880 . 4.880 4.420 2.495 4.885 0.005 2 0 "[ . 1 . 2]" 1
183 1 20 PHE QD 1 78 LEU QD 3.190 . 3.190 2.478 1.985 2.727 . 0 0 "[ . 1 . 2]" 1
184 1 20 PHE QD 1 78 LEU MD2 4.330 . 4.330 2.626 1.988 4.121 . 0 0 "[ . 1 . 2]" 1
185 1 20 PHE QD 1 81 MET QB 6.000 . 6.000 4.075 3.464 4.938 . 0 0 "[ . 1 . 2]" 1
186 1 20 PHE QD 1 81 MET ME 3.420 . 3.420 3.438 3.375 3.525 0.105 1 0 "[ . 1 . 2]" 1
187 1 20 PHE QD 1 81 MET QG 4.440 . 4.440 3.061 2.569 3.700 . 0 0 "[ . 1 . 2]" 1
188 1 20 PHE QE 1 81 MET ME 5.500 . 5.500 2.847 2.133 3.940 . 0 0 "[ . 1 . 2]" 1
189 1 20 PHE QE 1 81 MET QG 5.790 . 5.790 2.649 2.053 3.506 . 0 0 "[ . 1 . 2]" 1
190 1 20 PHE QE 1 85 MET ME 5.100 . 5.100 3.791 2.309 5.096 . 0 0 "[ . 1 . 2]" 1
191 1 20 PHE HZ 1 85 MET ME 5.420 . 5.420 3.533 1.919 5.404 . 0 0 "[ . 1 . 2]" 1
192 1 21 LYS H 1 21 LYS QB 3.710 . 3.710 2.037 1.937 2.206 . 0 0 "[ . 1 . 2]" 1
193 1 21 LYS H 1 21 LYS QD 6.000 . 6.000 4.364 4.246 4.520 . 0 0 "[ . 1 . 2]" 1
194 1 21 LYS H 1 21 LYS QG 4.700 . 4.700 3.486 2.557 3.876 . 0 0 "[ . 1 . 2]" 1
195 1 21 LYS H 1 22 ALA H 4.500 . 4.500 2.751 2.624 2.913 . 0 0 "[ . 1 . 2]" 1
196 1 21 LYS HA 1 21 LYS QD 3.770 . 3.770 2.738 2.089 3.737 . 0 0 "[ . 1 . 2]" 1
197 1 21 LYS HA 1 21 LYS HG3 3.720 . 3.720 3.403 3.085 3.628 . 0 0 "[ . 1 . 2]" 1
198 1 21 LYS HA 1 23 ALA H 4.840 . 4.840 4.619 4.307 4.804 . 0 0 "[ . 1 . 2]" 1
199 1 21 LYS HA 1 24 PHE H 6.000 . 6.000 3.553 3.230 3.971 . 0 0 "[ . 1 . 2]" 1
200 1 21 LYS HA 1 24 PHE QB 3.610 . 3.610 2.505 1.894 3.060 . 0 0 "[ . 1 . 2]" 1
201 1 21 LYS HA 1 74 PHE QD 4.090 . 4.090 3.574 2.715 4.137 0.047 9 0 "[ . 1 . 2]" 1
202 1 21 LYS HA 1 74 PHE QE 3.280 . 3.280 2.109 1.810 2.507 . 0 0 "[ . 1 . 2]" 1
203 1 21 LYS QB 1 22 ALA H 4.200 . 4.200 2.877 2.351 3.541 . 0 0 "[ . 1 . 2]" 1
204 1 21 LYS QB 1 74 PHE QE 4.500 . 4.500 2.798 2.077 3.406 . 0 0 "[ . 1 . 2]" 1
205 1 21 LYS QB 1 74 PHE HZ 4.610 . 4.610 2.813 2.066 3.497 . 0 0 "[ . 1 . 2]" 1
206 1 21 LYS QG 1 22 ALA H 5.800 . 5.800 2.507 1.874 3.026 . 0 0 "[ . 1 . 2]" 1
207 1 21 LYS QG 1 25 ASP H 6.000 . 6.000 4.747 3.983 5.654 . 0 0 "[ . 1 . 2]" 1
208 1 21 LYS HG3 1 22 ALA MB 3.550 . 3.550 3.337 2.789 3.670 0.120 3 0 "[ . 1 . 2]" 1
209 1 22 ALA H 1 22 ALA MB 2.500 . 2.500 2.123 2.005 2.177 . 0 0 "[ . 1 . 2]" 1
210 1 22 ALA H 1 24 PHE H 5.540 . 5.540 4.025 3.733 4.272 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA H 1 25 ASP H 6.000 . 6.000 4.813 4.594 5.364 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA HA 1 22 ALA MB 2.360 . 2.360 2.153 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA MB 2 15 LEU QD 4.000 . 4.000 2.819 1.902 3.543 . 0 0 "[ . 1 . 2]" 1
214 1 23 ALA H 1 23 ALA MB 2.880 . 2.880 2.097 1.937 2.180 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA H 1 24 PHE H 5.550 . 5.550 2.639 2.436 2.800 . 0 0 "[ . 1 . 2]" 1
216 1 23 ALA MB 1 24 PHE H 3.440 . 3.440 2.599 2.265 3.125 . 0 0 "[ . 1 . 2]" 1
217 1 23 ALA MB 2 11 MET ME 4.000 . 4.000 3.303 2.114 4.012 0.012 16 0 "[ . 1 . 2]" 1
218 1 23 ALA MB 2 14 LEU QD 4.000 . 4.000 2.869 1.865 3.910 . 0 0 "[ . 1 . 2]" 1
219 1 23 ALA MB 2 15 LEU QD 4.000 . 4.000 2.733 1.848 3.999 . 0 0 "[ . 1 . 2]" 1
220 1 24 PHE H 1 25 ASP H . . 5.390 2.696 2.297 2.833 . 0 0 "[ . 1 . 2]" 1
221 1 24 PHE H 1 26 ILE H 6.000 . 6.000 4.291 3.692 4.671 . 0 0 "[ . 1 . 2]" 1
222 1 24 PHE HA 1 24 PHE QD 3.970 . 3.970 2.842 2.495 3.062 . 0 0 "[ . 1 . 2]" 1
223 1 24 PHE HA 1 25 ASP H 5.540 . 5.540 3.586 3.564 3.617 . 0 0 "[ . 1 . 2]" 1
224 1 24 PHE HA 1 27 PHE QD 3.640 . 3.640 3.413 2.729 3.686 0.046 11 0 "[ . 1 . 2]" 1
225 1 24 PHE QB 1 25 ASP H 4.700 . 4.700 2.425 2.259 2.640 . 0 0 "[ . 1 . 2]" 1
226 1 24 PHE QD 1 28 VAL QG 4.950 . 4.950 2.993 2.096 3.701 . 0 0 "[ . 1 . 2]" 1
227 1 24 PHE QD 1 36 ILE MD 4.470 . 4.470 2.490 2.047 3.039 . 0 0 "[ . 1 . 2]" 1
228 1 24 PHE QE 1 28 VAL MG1 5.080 . 5.080 2.995 2.346 4.178 . 0 0 "[ . 1 . 2]" 1
229 1 24 PHE QE 1 28 VAL QG 3.490 . 3.490 2.721 2.138 3.438 . 0 0 "[ . 1 . 2]" 1
230 1 24 PHE QE 1 36 ILE MD 3.560 . 3.560 2.307 1.843 2.806 . 0 0 "[ . 1 . 2]" 1
231 1 24 PHE QE 1 36 ILE QG . . 4.790 3.305 2.260 4.323 . 0 0 "[ . 1 . 2]" 1
232 1 24 PHE QE 1 72 VAL QG 4.090 . 4.090 2.821 2.301 3.805 . 0 0 "[ . 1 . 2]" 1
233 1 24 PHE HZ 1 28 VAL QG 5.180 . 5.180 3.226 2.610 4.035 . 0 0 "[ . 1 . 2]" 1
234 1 24 PHE HZ 1 35 CYS HA 4.790 . 4.790 3.060 1.982 4.684 . 0 0 "[ . 1 . 2]" 1
235 1 24 PHE HZ 1 73 ASP HA 3.650 . 3.650 2.772 2.232 3.675 0.025 9 0 "[ . 1 . 2]" 1
236 1 24 PHE HZ 1 74 PHE HA 5.900 . 5.900 3.654 2.819 4.161 . 0 0 "[ . 1 . 2]" 1
237 1 25 ASP H 1 25 ASP QB 3.460 . 3.460 2.133 1.953 2.402 . 0 0 "[ . 1 . 2]" 1
238 1 25 ASP H 1 26 ILE H . . 4.610 2.843 2.635 3.010 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASP HA 1 28 VAL QG . . 2.960 2.378 1.908 2.969 0.009 14 0 "[ . 1 . 2]" 1
240 1 25 ASP QB 1 26 ILE H 5.220 . 5.220 2.638 2.227 3.470 . 0 0 "[ . 1 . 2]" 1
241 1 26 ILE H 1 26 ILE HB 4.060 . 4.060 2.389 2.146 3.585 . 0 0 "[ . 1 . 2]" 1
242 1 26 ILE H 1 26 ILE MD 4.250 . 4.250 3.036 2.398 3.756 . 0 0 "[ . 1 . 2]" 1
243 1 26 ILE H 1 26 ILE QG . . 3.800 2.274 1.894 2.738 . 0 0 "[ . 1 . 2]" 1
244 1 26 ILE H 1 27 PHE H . . 4.440 2.566 2.432 2.677 . 0 0 "[ . 1 . 2]" 1
245 1 26 ILE HA 1 26 ILE QG . . 2.950 2.157 2.033 2.284 . 0 0 "[ . 1 . 2]" 1
246 1 26 ILE HA 1 29 LEU QB 4.460 . 4.460 3.456 2.024 4.538 0.078 1 0 "[ . 1 . 2]" 1
247 1 26 ILE HA 1 29 LEU QD 4.100 . 4.100 2.215 1.810 3.183 . 0 0 "[ . 1 . 2]" 1
248 1 26 ILE HA 1 29 LEU HG 4.180 . 4.180 3.253 2.174 4.221 0.041 20 0 "[ . 1 . 2]" 1
249 1 26 ILE HB 1 27 PHE H 4.100 . 4.100 2.901 2.599 4.027 . 0 0 "[ . 1 . 2]" 1
250 1 26 ILE MD 2 15 LEU QD 4.000 . 4.000 2.832 1.795 4.025 0.025 14 0 "[ . 1 . 2]" 1
251 1 26 ILE MG 2 19 ALA MB 4.000 . 4.000 3.375 1.866 4.018 0.018 11 0 "[ . 1 . 2]" 1
252 1 27 PHE H 1 27 PHE QB 3.830 . 3.830 1.975 1.936 2.073 . 0 0 "[ . 1 . 2]" 1
253 1 27 PHE H 1 28 VAL H . . 5.670 2.673 2.517 2.842 . 0 0 "[ . 1 . 2]" 1
254 1 27 PHE HA 1 27 PHE QD 3.930 . 3.930 2.594 2.118 2.972 . 0 0 "[ . 1 . 2]" 1
255 1 27 PHE HA 1 44 VAL QG 3.820 . 3.820 3.383 1.997 3.804 . 0 0 "[ . 1 . 2]" 1
256 1 27 PHE QB 1 28 VAL H 5.820 . 5.820 2.721 2.208 3.215 . 0 0 "[ . 1 . 2]" 1
257 1 27 PHE QB 1 36 ILE MD 4.490 . 4.490 2.409 1.822 3.193 . 0 0 "[ . 1 . 2]" 1
258 1 27 PHE QD 1 36 ILE MD 4.730 . 4.730 3.301 2.570 4.338 . 0 0 "[ . 1 . 2]" 1
259 1 27 PHE QD 1 36 ILE MG 4.690 . 4.690 3.232 2.096 4.194 . 0 0 "[ . 1 . 2]" 1
260 1 27 PHE QD 1 40 GLU QB 4.380 . 4.380 3.391 2.691 4.259 . 0 0 "[ . 1 . 2]" 1
261 1 27 PHE QD 1 44 VAL QG 4.850 . 4.850 3.109 2.612 3.401 . 0 0 "[ . 1 . 2]" 1
262 1 27 PHE QE 1 36 ILE MG 4.870 . 4.870 3.661 2.634 4.614 . 0 0 "[ . 1 . 2]" 1
263 1 27 PHE QE 1 41 LEU HA 4.500 . 4.500 2.193 1.804 3.885 . 0 0 "[ . 1 . 2]" 1
264 1 27 PHE QE 1 44 VAL HB . . 4.240 3.132 2.252 4.288 0.048 10 0 "[ . 1 . 2]" 1
265 1 27 PHE QE 1 44 VAL QG 3.700 . 3.700 2.356 1.842 2.876 . 0 0 "[ . 1 . 2]" 1
266 1 27 PHE HZ 1 36 ILE MG 5.530 . 5.530 4.843 3.946 5.564 0.034 9 0 "[ . 1 . 2]" 1
267 1 28 VAL H 1 28 VAL HB 4.100 . 4.100 3.584 2.986 3.783 . 0 0 "[ . 1 . 2]" 1
268 1 28 VAL H 1 28 VAL QG 2.900 . 2.900 1.871 1.779 2.018 0.021 19 0 "[ . 1 . 2]" 1
269 1 28 VAL H 1 29 LEU H 4.770 . 4.770 2.799 2.093 4.026 . 0 0 "[ . 1 . 2]" 1
270 1 28 VAL HA 1 28 VAL HB . . 3.080 2.478 2.390 2.688 . 0 0 "[ . 1 . 2]" 1
271 1 28 VAL HA 1 28 VAL QG . . 3.330 2.289 2.143 2.407 . 0 0 "[ . 1 . 2]" 1
272 1 28 VAL HA 1 29 LEU H 5.800 . 5.800 3.150 2.289 3.598 . 0 0 "[ . 1 . 2]" 1
273 1 28 VAL HA 1 31 ALA MB 3.400 . 3.400 2.439 1.810 3.204 . 0 0 "[ . 1 . 2]" 1
274 1 28 VAL HB 1 31 ALA MB 3.150 . 3.150 2.658 1.884 3.229 0.079 2 0 "[ . 1 . 2]" 1
275 1 28 VAL HB 1 34 GLY H 6.000 . 6.000 4.605 2.059 6.035 0.035 4 0 "[ . 1 . 2]" 1
276 1 28 VAL HB 1 35 CYS H 6.000 . 6.000 4.208 2.441 5.411 . 0 0 "[ . 1 . 2]" 1
277 1 28 VAL QG 1 31 ALA MB 3.920 . 3.920 2.838 1.767 3.593 0.033 1 0 "[ . 1 . 2]" 1
278 1 28 VAL QG 1 35 CYS HA 4.680 . 4.680 2.887 1.984 4.045 . 0 0 "[ . 1 . 2]" 1
279 1 28 VAL QG 1 36 ILE MD 3.400 . 3.400 2.690 1.921 3.159 . 0 0 "[ . 1 . 2]" 1
280 1 28 VAL QG 1 36 ILE QG 4.050 . 4.050 1.921 1.761 3.064 0.039 18 0 "[ . 1 . 2]" 1
281 1 29 LEU H 1 29 LEU QB 3.430 . 3.430 2.280 1.953 3.196 . 0 0 "[ . 1 . 2]" 1
282 1 29 LEU H 1 29 LEU HG . . 3.840 3.137 2.100 3.960 0.120 9 0 "[ . 1 . 2]" 1
283 1 29 LEU H 1 31 ALA H 6.000 . 6.000 4.348 3.713 5.139 . 0 0 "[ . 1 . 2]" 1
284 1 29 LEU HA 1 29 LEU QD . . 3.290 2.558 2.051 3.319 0.029 10 0 "[ . 1 . 2]" 1
285 1 29 LEU HA 1 30 GLY H . . 3.740 3.109 2.201 3.599 . 0 0 "[ . 1 . 2]" 1
286 1 29 LEU HG 1 31 ALA H 6.000 . 6.000 5.790 4.429 6.066 0.066 7 0 "[ . 1 . 2]" 1
287 1 30 GLY H 1 31 ALA H 5.560 . 5.560 2.814 2.118 3.407 . 0 0 "[ . 1 . 2]" 1
288 1 30 GLY HA2 1 31 ALA H 4.690 . 4.690 3.083 2.664 3.591 . 0 0 "[ . 1 . 2]" 1
289 1 30 GLY HA3 1 31 ALA H 5.280 . 5.280 3.338 2.577 3.591 . 0 0 "[ . 1 . 2]" 1
290 1 31 ALA H 1 31 ALA MB 2.980 . 2.980 2.315 2.137 2.798 . 0 0 "[ . 1 . 2]" 1
291 1 31 ALA H 1 32 GLU QG 6.000 . 6.000 5.577 4.718 6.043 0.043 1 0 "[ . 1 . 2]" 1
292 1 31 ALA H 1 34 GLY H 6.000 . 6.000 5.326 3.651 6.044 0.044 13 0 "[ . 1 . 2]" 1
293 1 31 ALA HA 1 32 GLU H 6.000 . 6.000 2.666 2.202 3.583 . 0 0 "[ . 1 . 2]" 1
294 1 31 ALA MB 1 35 CYS H 3.640 . 3.640 3.423 2.231 3.710 0.070 16 0 "[ . 1 . 2]" 1
295 1 31 ALA MB 1 40 GLU QB 3.910 . 3.910 3.505 2.009 3.984 0.074 20 0 "[ . 1 . 2]" 1
296 1 31 ALA MB 1 40 GLU QG 3.870 . 3.870 2.488 1.764 3.759 0.036 1 0 "[ . 1 . 2]" 1
297 1 32 GLU H 1 33 ASP HA 5.880 . 5.880 5.313 4.108 5.974 0.094 18 0 "[ . 1 . 2]" 1
298 1 32 GLU HA 1 32 GLU HG3 3.580 . 3.580 2.719 2.180 3.555 . 0 0 "[ . 1 . 2]" 1
299 1 32 GLU HA 1 33 ASP H 4.220 . 4.220 3.304 2.338 3.598 . 0 0 "[ . 1 . 2]" 1
300 1 32 GLU QB 1 33 ASP H 5.040 . 5.040 2.832 1.873 3.993 . 0 0 "[ . 1 . 2]" 1
301 1 32 GLU QG 1 33 ASP H 6.000 . 6.000 3.994 1.928 4.831 . 0 0 "[ . 1 . 2]" 1
302 1 33 ASP H 1 34 GLY H 4.460 . 4.460 2.724 1.996 4.083 . 0 0 "[ . 1 . 2]" 1
303 1 33 ASP H 1 35 CYS H 6.000 . 6.000 4.210 3.071 5.112 . 0 0 "[ . 1 . 2]" 1
304 1 33 ASP HA 1 34 GLY H 4.490 . 4.490 3.298 2.401 3.592 . 0 0 "[ . 1 . 2]" 1
305 1 33 ASP HA 1 35 CYS H 5.300 . 5.300 4.675 3.653 5.336 0.036 18 0 "[ . 1 . 2]" 1
306 1 33 ASP QB 1 34 GLY H 6.000 . 6.000 3.267 2.440 3.973 . 0 0 "[ . 1 . 2]" 1
307 1 34 GLY HA3 1 35 CYS H 4.610 . 4.610 3.290 2.825 3.595 . 0 0 "[ . 1 . 2]" 1
308 1 35 CYS H 1 36 ILE H 6.000 . 6.000 4.478 4.302 4.754 . 0 0 "[ . 1 . 2]" 1
309 1 35 CYS HA 1 36 ILE H 4.640 . 4.640 2.555 2.222 3.484 . 0 0 "[ . 1 . 2]" 1
310 1 35 CYS QB 1 36 ILE H 4.100 . 4.100 2.564 1.816 3.779 . 0 0 "[ . 1 . 2]" 1
311 1 35 CYS QB 1 71 THR HB . . 3.810 3.170 1.835 3.846 0.036 15 0 "[ . 1 . 2]" 1
312 1 35 CYS QB 1 71 THR MG 4.710 . 4.710 2.407 1.782 4.116 0.018 16 0 "[ . 1 . 2]" 1
313 1 35 CYS QB 1 72 VAL H 5.960 . 5.960 4.238 3.532 5.270 . 0 0 "[ . 1 . 2]" 1
314 1 36 ILE H 1 36 ILE HB 4.140 . 4.140 2.307 2.104 2.639 . 0 0 "[ . 1 . 2]" 1
315 1 36 ILE H 1 36 ILE MD 4.600 . 4.600 3.365 2.063 3.899 . 0 0 "[ . 1 . 2]" 1
316 1 36 ILE H 1 36 ILE QG 4.220 . 4.220 2.628 2.104 3.136 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE H 1 72 VAL H 5.840 . 5.840 3.937 3.008 4.573 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE H 1 72 VAL HB 5.720 . 5.720 3.790 2.506 4.636 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE HA 1 37 SER H 3.670 . 3.670 2.222 2.186 2.320 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE HA 1 40 GLU QB 4.250 . 4.250 2.958 2.077 3.763 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE HB 1 37 SER H 6.000 . 6.000 4.454 4.210 4.629 . 0 0 "[ . 1 . 2]" 1
322 1 36 ILE HB 1 72 VAL H 4.620 . 4.620 3.794 3.025 4.503 . 0 0 "[ . 1 . 2]" 1
323 1 36 ILE HB 1 72 VAL HB 3.600 . 3.600 2.539 1.770 3.452 0.030 2 0 "[ . 1 . 2]" 1
324 1 36 ILE HB 1 72 VAL QG 3.620 . 3.620 2.366 1.957 3.223 . 0 0 "[ . 1 . 2]" 1
325 1 36 ILE MD 1 72 VAL HB . . 4.440 3.777 3.090 4.459 0.019 15 0 "[ . 1 . 2]" 1
326 1 36 ILE MD 1 72 VAL QG 3.530 . 3.530 2.364 1.913 2.958 . 0 0 "[ . 1 . 2]" 1
327 1 36 ILE MD 1 77 PHE QB 4.430 . 4.430 2.992 2.196 3.879 . 0 0 "[ . 1 . 2]" 1
328 1 36 ILE MD 1 77 PHE QD 3.800 . 3.800 2.627 1.821 3.263 . 0 0 "[ . 1 . 2]" 1
329 1 36 ILE QG 1 37 SER H 4.170 . 4.170 2.916 2.451 3.297 . 0 0 "[ . 1 . 2]" 1
330 1 36 ILE QG 1 40 GLU QB 3.130 . 3.130 2.706 1.844 3.299 0.169 6 0 "[ . 1 . 2]" 1
331 1 36 ILE QG 1 41 LEU H 4.080 . 4.080 3.421 2.541 4.082 0.002 12 0 "[ . 1 . 2]" 1
332 1 36 ILE QG 1 41 LEU HA 3.990 . 3.990 3.532 2.809 4.056 0.066 6 0 "[ . 1 . 2]" 1
333 1 36 ILE QG 1 72 VAL QG 3.200 . 3.200 2.678 2.098 3.157 . 0 0 "[ . 1 . 2]" 1
334 1 36 ILE MG 1 72 VAL QG 3.440 . 3.440 2.777 2.106 3.252 . 0 0 "[ . 1 . 2]" 1
335 1 37 SER H 1 40 GLU H . . 5.770 3.404 3.087 3.946 . 0 0 "[ . 1 . 2]" 1
336 1 37 SER H 1 40 GLU QB 5.480 . 5.480 2.264 1.873 4.133 . 0 0 "[ . 1 . 2]" 1
337 1 37 SER HA 1 38 THR H 5.570 . 5.570 2.609 2.400 2.780 . 0 0 "[ . 1 . 2]" 1
338 1 37 SER QB 1 38 THR H 5.550 . 5.550 2.824 2.217 3.994 . 0 0 "[ . 1 . 2]" 1
339 1 37 SER QB 1 39 LYS H 4.610 . 4.610 3.087 2.368 3.617 . 0 0 "[ . 1 . 2]" 1
340 1 37 SER QB 1 71 THR MG 3.840 . 3.840 2.881 1.979 4.579 0.739 12 1 "[ . 1 + . 2]" 1
341 1 38 THR H 1 38 THR MG 3.770 . 3.770 2.322 2.030 2.636 . 0 0 "[ . 1 . 2]" 1
342 1 38 THR H 1 39 LYS H 5.920 . 5.920 2.782 2.669 3.517 . 0 0 "[ . 1 . 2]" 1
343 1 38 THR HA 1 40 GLU H 5.500 . 5.500 4.495 4.102 5.016 . 0 0 "[ . 1 . 2]" 1
344 1 38 THR HA 1 41 LEU H 4.320 . 4.320 3.498 3.033 3.813 . 0 0 "[ . 1 . 2]" 1
345 1 38 THR HA 1 41 LEU QB 3.490 . 3.490 2.560 1.909 3.050 . 0 0 "[ . 1 . 2]" 1
346 1 38 THR HA 1 61 ILE MD 3.530 . 3.530 3.371 2.863 3.616 0.086 11 0 "[ . 1 . 2]" 1
347 1 38 THR HB 1 57 LEU QB 4.500 . 4.500 2.651 1.975 3.269 . 0 0 "[ . 1 . 2]" 1
348 1 38 THR HB 1 57 LEU QD 3.540 . 3.540 3.325 2.788 3.585 0.045 18 0 "[ . 1 . 2]" 1
349 1 38 THR MG 1 58 GLN H 4.130 . 4.130 2.654 2.185 3.043 . 0 0 "[ . 1 . 2]" 1
350 1 38 THR MG 1 58 GLN HA 3.020 . 3.020 2.098 1.770 2.615 0.030 20 0 "[ . 1 . 2]" 1
351 1 38 THR MG 1 58 GLN QB 4.110 . 4.110 2.670 2.032 3.338 . 0 0 "[ . 1 . 2]" 1
352 1 39 LYS H 1 40 GLU H . . 4.520 2.752 2.646 3.266 . 0 0 "[ . 1 . 2]" 1
353 1 39 LYS H 1 41 LEU QB 5.680 . 5.680 4.776 4.286 5.065 . 0 0 "[ . 1 . 2]" 1
354 1 39 LYS HA 1 39 LYS QG 3.550 . 3.550 2.336 2.017 3.320 . 0 0 "[ . 1 . 2]" 1
355 1 39 LYS QB 1 40 GLU H . . 4.200 2.557 2.000 3.392 . 0 0 "[ . 1 . 2]" 1
356 1 40 GLU H 1 40 GLU QB 3.680 . 3.680 2.184 1.997 2.392 . 0 0 "[ . 1 . 2]" 1
357 1 40 GLU H 1 41 LEU H 4.600 . 4.600 2.615 2.358 2.788 . 0 0 "[ . 1 . 2]" 1
358 1 40 GLU H 1 41 LEU QB 5.220 . 5.220 4.242 3.954 4.446 . 0 0 "[ . 1 . 2]" 1
359 1 40 GLU H 1 43 LYS H 6.000 . 6.000 4.953 4.774 5.348 . 0 0 "[ . 1 . 2]" 1
360 1 40 GLU HA 1 41 LEU H 4.560 . 4.560 3.556 3.516 3.592 . 0 0 "[ . 1 . 2]" 1
361 1 40 GLU QB 1 41 LEU H 3.990 . 3.990 2.688 2.311 3.432 . 0 0 "[ . 1 . 2]" 1
362 1 41 LEU H 1 42 GLY H 5.260 . 5.260 2.792 2.472 2.997 . 0 0 "[ . 1 . 2]" 1
363 1 41 LEU HA 1 41 LEU QD 3.020 . 3.020 2.012 1.818 2.296 . 0 0 "[ . 1 . 2]" 1
364 1 41 LEU HA 1 41 LEU HG 4.370 . 4.370 3.521 3.383 3.678 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU QB 1 42 GLY H 4.760 . 4.760 2.263 1.916 2.674 . 0 0 "[ . 1 . 2]" 1
366 1 41 LEU QB 1 57 LEU H 6.000 . 6.000 5.973 5.612 6.104 0.104 20 0 "[ . 1 . 2]" 1
367 1 41 LEU QD 1 42 GLY HA2 3.470 . 3.470 3.261 2.294 3.641 0.171 7 0 "[ . 1 . 2]" 1
368 1 41 LEU QD 1 45 MET ME 2.650 . 2.650 2.124 1.786 2.702 0.052 6 0 "[ . 1 . 2]" 1
369 1 41 LEU QD 1 45 MET HG3 3.320 . 3.320 2.306 1.774 3.417 0.097 9 0 "[ . 1 . 2]" 1
370 1 41 LEU QD 2 5 ILE MG 4.000 . 4.000 3.994 3.667 4.182 0.182 18 0 "[ . 1 . 2]" 1
371 1 41 LEU QD 2 10 MET ME 4.000 . 4.000 2.578 1.865 3.247 . 0 0 "[ . 1 . 2]" 1
372 1 41 LEU HG 1 42 GLY H 3.960 . 3.960 3.504 2.888 4.151 0.191 11 0 "[ . 1 . 2]" 1
373 1 42 GLY H 1 43 LYS H 4.500 . 4.500 2.859 2.720 2.997 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLY HA2 1 43 LYS H 4.140 . 4.140 3.556 3.526 3.580 . 0 0 "[ . 1 . 2]" 1
375 1 42 GLY HA3 1 43 LYS H . . 3.810 2.934 2.838 3.021 . 0 0 "[ . 1 . 2]" 1
376 1 42 GLY HA3 1 45 MET H 5.480 . 5.480 4.425 4.286 4.608 . 0 0 "[ . 1 . 2]" 1
377 1 43 LYS H 1 43 LYS QB 3.000 . 3.000 2.054 1.944 2.170 . 0 0 "[ . 1 . 2]" 1
378 1 43 LYS H 1 43 LYS QG 4.710 . 4.710 3.506 2.550 3.936 . 0 0 "[ . 1 . 2]" 1
379 1 43 LYS H 1 44 VAL H . . 4.510 2.847 2.707 3.000 . 0 0 "[ . 1 . 2]" 1
380 1 43 LYS HA 1 43 LYS HG3 3.630 . 3.630 2.672 1.971 3.576 . 0 0 "[ . 1 . 2]" 1
381 1 43 LYS HA 1 44 VAL H 4.770 . 4.770 3.578 3.540 3.601 . 0 0 "[ . 1 . 2]" 1
382 1 43 LYS HA 1 46 ARG H 4.910 . 4.910 4.064 3.637 4.528 . 0 0 "[ . 1 . 2]" 1
383 1 43 LYS QB 1 43 LYS HE3 4.460 . 4.460 3.424 2.138 4.391 . 0 0 "[ . 1 . 2]" 1
384 1 43 LYS QB 1 44 VAL H 3.410 . 3.410 2.571 2.301 3.464 0.054 2 0 "[ . 1 . 2]" 1
385 1 43 LYS QB 1 44 VAL QG 3.930 . 3.930 2.958 2.631 3.860 . 0 0 "[ . 1 . 2]" 1
386 1 44 VAL H 1 44 VAL HB 3.740 . 3.740 2.519 2.139 3.595 . 0 0 "[ . 1 . 2]" 1
387 1 44 VAL H 1 44 VAL QG . . 3.120 2.233 1.812 2.613 . 0 0 "[ . 1 . 2]" 1
388 1 44 VAL H 1 45 MET H 4.490 . 4.490 2.451 2.265 2.654 . 0 0 "[ . 1 . 2]" 1
389 1 44 VAL HA 1 44 VAL QG 3.190 . 3.190 2.089 2.002 2.315 . 0 0 "[ . 1 . 2]" 1
390 1 44 VAL HA 1 47 MET H 5.100 . 5.100 3.564 3.268 4.200 . 0 0 "[ . 1 . 2]" 1
391 1 44 VAL HB 1 45 MET H 4.380 . 4.380 2.920 2.523 4.019 . 0 0 "[ . 1 . 2]" 1
392 1 44 VAL QG 2 10 MET ME 4.000 . 4.000 2.556 2.001 3.423 . 0 0 "[ . 1 . 2]" 1
393 1 44 VAL QG 2 13 ALA MB 4.000 . 4.000 3.437 2.374 4.081 0.081 16 0 "[ . 1 . 2]" 1
394 1 44 VAL QG 2 14 LEU QD 4.000 . 4.000 2.142 1.803 3.161 . 0 0 "[ . 1 . 2]" 1
395 1 45 MET H 1 45 MET QB 3.750 . 3.750 2.174 1.943 2.316 . 0 0 "[ . 1 . 2]" 1
396 1 45 MET H 1 45 MET QG 4.210 . 4.210 2.563 2.206 3.413 . 0 0 "[ . 1 . 2]" 1
397 1 45 MET H 1 45 MET HG3 3.510 . 3.510 3.146 2.469 3.719 0.209 9 0 "[ . 1 . 2]" 1
398 1 45 MET H 1 46 ARG H . . 4.860 2.783 2.663 2.930 . 0 0 "[ . 1 . 2]" 1
399 1 45 MET HA 1 45 MET ME 3.650 . 3.650 3.577 3.172 3.782 0.132 6 0 "[ . 1 . 2]" 1
400 1 45 MET HA 1 45 MET HG3 3.710 . 3.710 3.358 2.011 3.691 . 0 0 "[ . 1 . 2]" 1
401 1 45 MET ME 1 45 MET QG 2.970 . 2.970 2.055 1.890 2.168 . 0 0 "[ . 1 . 2]" 1
402 1 45 MET ME 2 5 ILE MD 4.000 . 4.000 2.123 1.788 2.905 0.012 6 0 "[ . 1 . 2]" 1
403 1 45 MET ME 2 5 ILE MG 4.000 . 4.000 3.141 2.075 3.994 . 0 0 "[ . 1 . 2]" 1
404 1 45 MET ME 2 10 MET ME 4.000 . 4.000 2.550 1.817 3.542 . 0 0 "[ . 1 . 2]" 1
405 1 45 MET QG 1 46 ARG H 5.470 . 5.470 4.241 4.026 4.618 . 0 0 "[ . 1 . 2]" 1
406 1 46 ARG H 1 46 ARG QB . . 3.510 2.140 1.958 2.429 . 0 0 "[ . 1 . 2]" 1
407 1 46 ARG H 1 46 ARG QD 4.640 . 4.640 4.096 2.738 4.622 . 0 0 "[ . 1 . 2]" 1
408 1 46 ARG H 1 46 ARG QG 4.110 . 4.110 3.299 1.944 4.020 . 0 0 "[ . 1 . 2]" 1
409 1 47 MET H 1 47 MET QB 3.660 . 3.660 2.202 1.984 2.438 . 0 0 "[ . 1 . 2]" 1
410 1 47 MET H 1 47 MET QG 4.100 . 4.100 3.277 1.963 3.969 . 0 0 "[ . 1 . 2]" 1
411 1 47 MET H 1 48 LEU H 4.140 . 4.140 2.602 2.310 2.780 . 0 0 "[ . 1 . 2]" 1
412 1 47 MET HA 1 48 LEU H 4.420 . 4.420 3.511 3.308 3.582 . 0 0 "[ . 1 . 2]" 1
413 1 47 MET QB 1 48 LEU H 4.800 . 4.800 2.908 2.433 3.913 . 0 0 "[ . 1 . 2]" 1
414 1 47 MET ME 1 47 MET QG . . 2.790 2.133 1.972 2.330 . 0 0 "[ . 1 . 2]" 1
415 1 47 MET ME 2 13 ALA MB 4.000 . 4.000 2.813 1.825 3.902 . 0 0 "[ . 1 . 2]" 1
416 1 47 MET ME 2 14 LEU QD 4.000 . 4.000 3.654 2.448 4.013 0.013 7 0 "[ . 1 . 2]" 1
417 1 47 MET ME 2 17 ALA MB 4.000 . 4.000 3.108 1.909 3.982 . 0 0 "[ . 1 . 2]" 1
418 1 48 LEU H 1 48 LEU QB 3.800 . 3.800 2.285 2.035 2.614 . 0 0 "[ . 1 . 2]" 1
419 1 48 LEU H 1 48 LEU QD 3.870 . 3.870 3.646 3.070 3.948 0.078 16 0 "[ . 1 . 2]" 1
420 1 48 LEU H 1 48 LEU HG 4.250 . 4.250 3.992 2.377 4.434 0.184 11 0 "[ . 1 . 2]" 1
421 1 48 LEU H 1 49 GLY H 3.730 . 3.730 2.711 2.125 3.821 0.091 16 0 "[ . 1 . 2]" 1
422 1 48 LEU H 1 50 GLN H 5.420 . 5.420 4.747 2.870 5.472 0.052 7 0 "[ . 1 . 2]" 1
423 1 48 LEU HA 1 48 LEU QD 2.890 . 2.890 2.409 1.866 2.934 0.044 8 0 "[ . 1 . 2]" 1
424 1 48 LEU HA 1 48 LEU HG 4.040 . 4.040 2.536 2.022 3.005 . 0 0 "[ . 1 . 2]" 1
425 1 48 LEU QD 2 5 ILE MD 4.000 . 4.000 3.328 2.082 4.019 0.019 13 0 "[ . 1 . 2]" 1
426 1 48 LEU QD 2 9 ALA MB 4.000 . 4.000 2.791 1.820 3.913 . 0 0 "[ . 1 . 2]" 1
427 1 48 LEU QD 2 13 ALA MB 4.000 . 4.000 2.519 1.931 3.739 . 0 0 "[ . 1 . 2]" 1
428 1 48 LEU HG 1 49 GLY H 4.510 . 4.510 4.029 2.992 4.569 0.059 1 0 "[ . 1 . 2]" 1
429 1 49 GLY H 1 49 GLY HA3 3.100 . 3.100 2.814 2.407 2.998 . 0 0 "[ . 1 . 2]" 1
430 1 49 GLY H 1 50 GLN H 4.430 . 4.430 2.963 1.898 4.224 . 0 0 "[ . 1 . 2]" 1
431 1 49 GLY H 1 50 GLN QB 5.930 . 5.930 4.822 3.638 5.973 0.043 4 0 "[ . 1 . 2]" 1
432 1 49 GLY H 1 50 GLN QG 5.500 . 5.500 4.832 3.760 5.573 0.073 4 0 "[ . 1 . 2]" 1
433 1 49 GLY HA2 1 50 GLN H 4.000 . 4.000 3.165 2.177 3.598 . 0 0 "[ . 1 . 2]" 1
434 1 49 GLY HA3 1 50 GLN H 4.090 . 4.090 2.925 2.184 3.586 . 0 0 "[ . 1 . 2]" 1
435 1 50 GLN H 1 50 GLN QB . . 3.420 2.645 2.068 3.364 . 0 0 "[ . 1 . 2]" 1
436 1 50 GLN H 1 50 GLN QG 3.870 . 3.870 2.806 1.785 3.474 0.015 8 0 "[ . 1 . 2]" 1
437 1 50 GLN H 1 50 GLN HG3 3.530 . 3.530 2.958 1.801 3.584 0.054 7 0 "[ . 1 . 2]" 1
438 1 50 GLN HA 1 50 GLN HG3 3.440 . 3.440 2.924 1.984 3.541 0.101 10 0 "[ . 1 . 2]" 1
439 1 50 GLN QB 1 50 GLN HG3 2.760 . 2.760 2.411 2.169 2.548 . 0 0 "[ . 1 . 2]" 1
440 1 50 GLN QB 1 52 PRO QD 3.940 . 3.940 3.532 2.149 4.022 0.082 6 0 "[ . 1 . 2]" 1
441 1 51 ASN HA 1 52 PRO QD . . 2.850 2.010 1.835 2.338 . 0 0 "[ . 1 . 2]" 1
442 1 52 PRO QD 1 53 THR H 5.210 . 5.210 3.343 2.352 4.984 . 0 0 "[ . 1 . 2]" 1
443 1 52 PRO QD 1 57 LEU QD . . 3.400 3.340 3.067 3.497 0.097 7 0 "[ . 1 . 2]" 1
444 1 53 THR H 1 53 THR HB 3.510 . 3.510 3.521 3.153 3.655 0.145 15 0 "[ . 1 . 2]" 1
445 1 53 THR H 1 56 GLU QB 3.800 . 3.800 2.902 2.460 3.777 . 0 0 "[ . 1 . 2]" 1
446 1 53 THR HB 1 54 PRO QD 2.970 . 2.970 2.461 1.762 3.066 0.096 20 0 "[ . 1 . 2]" 1
447 1 53 THR MG 1 54 PRO QD 3.090 . 3.090 2.833 1.872 3.749 0.659 18 4 "[ *- 1 . + *]" 1
448 1 54 PRO HA 1 54 PRO HG3 4.250 . 4.250 4.013 4.004 4.022 . 0 0 "[ . 1 . 2]" 1
449 1 54 PRO HA 1 57 LEU H 5.290 . 5.290 3.621 3.344 4.014 . 0 0 "[ . 1 . 2]" 1
450 1 54 PRO HA 1 57 LEU QD 3.200 . 3.200 2.375 1.918 3.234 0.034 16 0 "[ . 1 . 2]" 1
451 1 54 PRO QB 1 55 GLU H . . 3.990 3.139 2.897 3.368 . 0 0 "[ . 1 . 2]" 1
452 1 54 PRO QD 1 55 GLU H 3.710 . 3.710 2.662 2.481 2.783 . 0 0 "[ . 1 . 2]" 1
453 1 54 PRO QG 1 55 GLU H . . 3.420 2.312 2.045 2.587 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLU H 1 55 GLU QB 3.860 . 3.860 2.199 1.941 2.453 . 0 0 "[ . 1 . 2]" 1
455 1 55 GLU H 1 56 GLU H . . 4.070 2.679 2.580 2.801 . 0 0 "[ . 1 . 2]" 1
456 1 55 GLU HA 1 55 GLU HG2 3.420 . 3.420 3.181 2.278 3.515 0.095 9 0 "[ . 1 . 2]" 1
457 1 55 GLU HA 1 56 GLU H 4.060 . 4.060 3.541 3.491 3.570 . 0 0 "[ . 1 . 2]" 1
458 1 55 GLU HA 1 58 GLN H 3.870 . 3.870 3.322 3.028 3.790 . 0 0 "[ . 1 . 2]" 1
459 1 55 GLU QB 1 56 GLU H 3.980 . 3.980 2.776 2.494 3.606 . 0 0 "[ . 1 . 2]" 1
460 1 56 GLU H 1 56 GLU QB . . 3.460 2.126 1.943 2.200 . 0 0 "[ . 1 . 2]" 1
461 1 56 GLU H 1 57 LEU H 4.540 . 4.540 2.743 2.579 2.916 . 0 0 "[ . 1 . 2]" 1
462 1 56 GLU QB 1 57 LEU H 5.390 . 5.390 2.605 2.410 2.933 . 0 0 "[ . 1 . 2]" 1
463 1 56 GLU QB 1 57 LEU QD 4.460 . 4.460 2.759 1.927 3.787 . 0 0 "[ . 1 . 2]" 1
464 1 57 LEU H 1 57 LEU QD 4.350 . 4.350 2.433 1.844 3.007 . 0 0 "[ . 1 . 2]" 1
465 1 57 LEU H 1 57 LEU HG 3.840 . 3.840 2.844 1.814 3.881 0.041 5 0 "[ . 1 . 2]" 1
466 1 57 LEU H 1 58 GLN HA 6.000 . 6.000 5.111 4.902 5.314 . 0 0 "[ . 1 . 2]" 1
467 1 57 LEU HA 1 57 LEU QD . . 2.880 2.128 1.824 2.873 . 0 0 "[ . 1 . 2]" 1
468 1 57 LEU HA 1 57 LEU HG 3.840 . 3.840 3.115 2.423 3.637 . 0 0 "[ . 1 . 2]" 1
469 1 57 LEU HA 1 58 GLN H 4.360 . 4.360 3.497 3.436 3.553 . 0 0 "[ . 1 . 2]" 1
470 1 57 LEU HA 1 60 MET H 3.900 . 3.900 3.144 2.922 3.393 . 0 0 "[ . 1 . 2]" 1
471 1 57 LEU HA 1 60 MET QB 3.920 . 3.920 2.386 1.832 3.232 . 0 0 "[ . 1 . 2]" 1
472 1 57 LEU HA 1 60 MET ME 3.340 . 3.340 2.806 2.052 3.348 0.008 4 0 "[ . 1 . 2]" 1
473 1 57 LEU QB 1 58 GLN H 4.440 . 4.440 2.972 2.705 3.185 . 0 0 "[ . 1 . 2]" 1
474 1 57 LEU QB 1 59 GLU H 6.000 . 6.000 4.929 4.672 5.208 . 0 0 "[ . 1 . 2]" 1
475 1 57 LEU QB 1 60 MET QB 3.230 . 3.230 3.314 3.180 3.413 0.183 1 0 "[ . 1 . 2]" 1
476 1 57 LEU QD 1 60 MET QB 4.540 . 4.540 3.147 2.626 3.859 . 0 0 "[ . 1 . 2]" 1
477 1 57 LEU QD 1 60 MET ME 2.580 . 2.580 1.976 1.812 2.468 . 0 0 "[ . 1 . 2]" 1
478 1 57 LEU QD 2 3 VAL QG 4.000 . 4.000 3.511 2.242 4.098 0.098 6 0 "[ . 1 . 2]" 1
479 1 57 LEU HG 1 58 GLN H 5.470 . 5.470 4.756 3.835 5.524 0.054 18 0 "[ . 1 . 2]" 1
480 1 58 GLN H 1 58 GLN QB 3.020 . 3.020 1.987 1.930 2.162 . 0 0 "[ . 1 . 2]" 1
481 1 58 GLN H 1 58 GLN HG2 3.700 . 3.700 3.493 2.564 3.774 0.074 3 0 "[ . 1 . 2]" 1
482 1 58 GLN H 1 58 GLN QG 3.410 . 3.410 3.180 2.508 3.473 0.063 13 0 "[ . 1 . 2]" 1
483 1 58 GLN HA 1 59 GLU H 5.930 . 5.930 3.575 3.525 3.604 . 0 0 "[ . 1 . 2]" 1
484 1 58 GLN HA 1 61 ILE HB . . 3.350 3.185 2.942 3.395 0.045 18 0 "[ . 1 . 2]" 1
485 1 58 GLN HA 1 61 ILE MD 3.780 . 3.780 3.684 2.856 3.916 0.136 18 0 "[ . 1 . 2]" 1
486 1 58 GLN QB 1 59 GLU H 3.430 . 3.430 2.839 2.350 3.430 . 0 0 "[ . 1 . 2]" 1
487 1 58 GLN QE 1 61 ILE QG 4.310 . 4.310 3.667 2.065 4.328 0.018 9 0 "[ . 1 . 2]" 1
488 1 58 GLN QG 1 59 GLU H 4.430 . 4.430 3.335 2.132 4.476 0.046 11 0 "[ . 1 . 2]" 1
489 1 59 GLU HA 1 59 GLU QB . . 2.780 2.431 2.197 2.557 . 0 0 "[ . 1 . 2]" 1
490 1 59 GLU HA 1 59 GLU QG 3.290 . 3.290 2.478 2.038 3.331 0.041 11 0 "[ . 1 . 2]" 1
491 1 59 GLU HA 1 60 MET H 3.730 . 3.730 3.547 3.516 3.581 . 0 0 "[ . 1 . 2]" 1
492 1 59 GLU HA 1 62 ASP QB . . 3.060 2.522 2.086 3.118 0.058 9 0 "[ . 1 . 2]" 1
493 1 60 MET H 1 60 MET QG 4.070 . 4.070 3.185 2.256 3.977 . 0 0 "[ . 1 . 2]" 1
494 1 60 MET HA 1 60 MET QG . . 3.720 2.211 1.943 2.412 . 0 0 "[ . 1 . 2]" 1
495 1 60 MET HA 1 61 ILE H 3.820 . 3.820 3.574 3.486 3.609 . 0 0 "[ . 1 . 2]" 1
496 1 60 MET QB 1 60 MET ME 2.820 . 2.820 2.451 1.990 2.859 0.039 5 0 "[ . 1 . 2]" 1
497 1 60 MET QB 1 61 ILE H 4.900 . 4.900 2.586 2.412 2.988 . 0 0 "[ . 1 . 2]" 1
498 1 60 MET ME 1 60 MET QG . . 2.980 2.142 1.997 2.412 . 0 0 "[ . 1 . 2]" 1
499 1 60 MET ME 2 3 VAL QG 4.000 . 4.000 2.481 1.825 3.863 . 0 0 "[ . 1 . 2]" 1
500 1 60 MET ME 2 5 ILE MD 4.000 . 4.000 3.764 2.818 4.064 0.064 9 0 "[ . 1 . 2]" 1
501 1 61 ILE H 1 61 ILE HB 3.560 . 3.560 2.212 2.044 2.477 . 0 0 "[ . 1 . 2]" 1
502 1 61 ILE H 1 61 ILE MD 4.660 . 4.660 3.850 2.962 4.223 . 0 0 "[ . 1 . 2]" 1
503 1 61 ILE H 1 61 ILE QG 4.060 . 4.060 2.472 2.072 2.786 . 0 0 "[ . 1 . 2]" 1
504 1 61 ILE H 1 62 ASP H 4.450 . 4.450 2.595 2.369 2.772 . 0 0 "[ . 1 . 2]" 1
505 1 61 ILE HA 1 61 ILE MD 3.820 . 3.820 3.546 2.096 3.815 . 0 0 "[ . 1 . 2]" 1
506 1 61 ILE HA 1 61 ILE QG 3.430 . 3.430 2.093 1.955 2.198 . 0 0 "[ . 1 . 2]" 1
507 1 61 ILE HA 1 62 ASP H 6.000 . 6.000 3.567 3.519 3.591 . 0 0 "[ . 1 . 2]" 1
508 1 61 ILE HA 1 64 VAL QG 4.000 . 4.000 3.070 2.292 4.003 0.003 12 0 "[ . 1 . 2]" 1
509 1 61 ILE HA 1 72 VAL QG . . 3.630 2.737 1.799 3.268 0.001 11 0 "[ . 1 . 2]" 1
510 1 61 ILE HB 1 61 ILE MD . . 3.340 2.264 1.904 3.214 . 0 0 "[ . 1 . 2]" 1
511 1 61 ILE HB 1 62 ASP H 3.950 . 3.950 3.220 2.038 3.816 . 0 0 "[ . 1 . 2]" 1
512 1 61 ILE HB 1 72 VAL H 5.400 . 5.400 5.254 4.917 5.434 0.034 20 0 "[ . 1 . 2]" 1
513 1 61 ILE MD 1 72 VAL HA 4.140 . 4.140 4.182 3.904 4.258 0.118 9 0 "[ . 1 . 2]" 1
514 1 61 ILE MD 1 72 VAL HB 3.890 . 3.890 2.803 1.797 3.607 0.003 15 0 "[ . 1 . 2]" 1
515 1 61 ILE MD 1 72 VAL QG 3.360 . 3.360 2.367 1.782 2.979 0.018 11 0 "[ . 1 . 2]" 1
516 1 61 ILE QG 1 62 ASP H 4.220 . 4.220 2.377 1.897 3.127 . 0 0 "[ . 1 . 2]" 1
517 1 61 ILE QG 1 62 ASP HA 3.620 . 3.620 3.112 2.878 3.632 0.012 11 0 "[ . 1 . 2]" 1
518 1 61 ILE QG 1 65 ASP QB . . 3.590 2.696 1.969 3.457 . 0 0 "[ . 1 . 2]" 1
519 1 61 ILE QG 1 71 THR HA 4.330 . 4.330 2.807 2.055 3.438 . 0 0 "[ . 1 . 2]" 1
520 1 62 ASP H 1 62 ASP QB 3.670 . 3.670 2.122 1.966 2.335 . 0 0 "[ . 1 . 2]" 1
521 1 62 ASP H 1 63 GLU H 4.650 . 4.650 2.717 2.461 2.890 . 0 0 "[ . 1 . 2]" 1
522 1 62 ASP H 1 63 GLU HA 5.560 . 5.560 5.362 5.140 5.521 . 0 0 "[ . 1 . 2]" 1
523 1 62 ASP HA 1 62 ASP QB . . 2.780 2.482 2.401 2.544 . 0 0 "[ . 1 . 2]" 1
524 1 62 ASP HA 1 63 GLU H 5.450 . 5.450 3.554 3.512 3.592 . 0 0 "[ . 1 . 2]" 1
525 1 62 ASP QB 1 63 GLU H 3.780 . 3.780 2.714 2.503 2.870 . 0 0 "[ . 1 . 2]" 1
526 1 62 ASP QB 1 65 ASP H 4.810 . 4.810 4.686 4.382 4.871 0.061 6 0 "[ . 1 . 2]" 1
527 1 63 GLU H 1 63 GLU QB 3.660 . 3.660 2.096 1.962 2.388 . 0 0 "[ . 1 . 2]" 1
528 1 63 GLU H 1 63 GLU QG 4.540 . 4.540 3.608 2.248 3.945 . 0 0 "[ . 1 . 2]" 1
529 1 63 GLU H 1 64 VAL H 4.560 . 4.560 2.768 2.591 2.958 . 0 0 "[ . 1 . 2]" 1
530 1 63 GLU QB 1 64 VAL QG 3.360 . 3.360 2.805 2.297 3.446 0.086 8 0 "[ . 1 . 2]" 1
531 1 64 VAL H 1 64 VAL QG . . 3.220 2.129 1.839 2.532 . 0 0 "[ . 1 . 2]" 1
532 1 64 VAL H 1 65 ASP H 4.610 . 4.610 2.380 2.097 2.715 . 0 0 "[ . 1 . 2]" 1
533 1 64 VAL HA 1 64 VAL QG 3.270 . 3.270 2.172 2.037 2.334 . 0 0 "[ . 1 . 2]" 1
534 1 64 VAL HA 1 65 ASP H 5.620 . 5.620 3.333 3.021 3.592 . 0 0 "[ . 1 . 2]" 1
535 1 64 VAL QG 1 76 GLU QB 4.390 . 4.390 2.962 1.884 3.716 . 0 0 "[ . 1 . 2]" 1
536 1 64 VAL QG 1 80 MET H 4.030 . 4.030 3.280 2.591 4.034 0.004 1 0 "[ . 1 . 2]" 1
537 1 64 VAL QG 1 80 MET HA 3.540 . 3.540 2.680 1.864 3.131 . 0 0 "[ . 1 . 2]" 1
538 1 64 VAL QG 1 80 MET QB 3.400 . 3.400 2.348 1.789 3.165 0.011 15 0 "[ . 1 . 2]" 1
539 1 64 VAL QG 1 80 MET ME 3.950 . 3.950 3.311 1.869 3.984 0.034 20 0 "[ . 1 . 2]" 1
540 1 64 VAL QG 1 80 MET QG 3.390 . 3.390 2.528 1.830 3.304 . 0 0 "[ . 1 . 2]" 1
541 1 64 VAL QG 1 83 ARG QD 3.810 . 3.810 2.529 1.807 3.839 0.029 8 0 "[ . 1 . 2]" 1
542 1 65 ASP H 1 65 ASP QB . . 3.660 2.294 2.142 2.645 . 0 0 "[ . 1 . 2]" 1
543 1 65 ASP HA 1 66 GLU H 4.380 . 4.380 2.909 2.202 3.594 . 0 0 "[ . 1 . 2]" 1
544 1 65 ASP QB 1 66 GLU H 6.000 . 6.000 2.773 1.755 4.036 0.045 5 0 "[ . 1 . 2]" 1
545 1 66 GLU H 1 66 GLU QB 3.580 . 3.580 2.646 2.033 3.092 . 0 0 "[ . 1 . 2]" 1
546 1 66 GLU H 1 66 GLU QG 4.270 . 4.270 3.459 2.591 4.331 0.061 1 0 "[ . 1 . 2]" 1
547 1 66 GLU H 1 67 ASP H . . 4.270 2.740 2.148 3.438 . 0 0 "[ . 1 . 2]" 1
548 1 66 GLU H 1 68 GLY H 6.000 . 6.000 4.478 3.883 5.640 . 0 0 "[ . 1 . 2]" 1
549 1 66 GLU HA 1 67 ASP H 5.040 . 5.040 3.006 2.678 3.495 . 0 0 "[ . 1 . 2]" 1
550 1 66 GLU HA 1 68 GLY H 5.400 . 5.400 3.926 3.273 4.813 . 0 0 "[ . 1 . 2]" 1
551 1 66 GLU QB 1 67 ASP H 4.510 . 4.510 3.756 2.988 4.074 . 0 0 "[ . 1 . 2]" 1
552 1 66 GLU QG 1 67 ASP H 5.180 . 5.180 4.575 3.530 4.773 . 0 0 "[ . 1 . 2]" 1
553 1 67 ASP H 1 68 GLY H 4.140 . 4.140 2.218 1.899 3.114 . 0 0 "[ . 1 . 2]" 1
554 1 67 ASP H 1 68 GLY QA 5.350 . 5.350 4.202 3.962 4.638 . 0 0 "[ . 1 . 2]" 1
555 1 67 ASP HA 1 68 GLY H 4.580 . 4.580 3.385 2.833 3.596 . 0 0 "[ . 1 . 2]" 1
556 1 67 ASP HA 1 69 SER H 5.650 . 5.650 4.618 4.235 5.047 . 0 0 "[ . 1 . 2]" 1
557 1 67 ASP HA 1 70 GLY H 6.000 . 6.000 6.041 5.842 6.227 0.227 14 0 "[ . 1 . 2]" 1
558 1 67 ASP QB 1 68 GLY H . . 5.520 3.572 2.339 4.063 . 0 0 "[ . 1 . 2]" 1
559 1 67 ASP QB 1 69 SER H 6.000 . 6.000 3.579 2.312 4.736 . 0 0 "[ . 1 . 2]" 1
560 1 67 ASP QB 1 70 GLY H 6.000 . 6.000 4.597 3.245 5.353 . 0 0 "[ . 1 . 2]" 1
561 1 68 GLY H 1 69 SER H . . 4.140 2.694 2.307 3.236 . 0 0 "[ . 1 . 2]" 1
562 1 68 GLY H 1 70 GLY H 5.940 . 5.940 3.493 2.723 4.569 . 0 0 "[ . 1 . 2]" 1
563 1 68 GLY QA 1 69 SER H 3.940 . 3.940 2.824 2.653 2.958 . 0 0 "[ . 1 . 2]" 1
564 1 69 SER H 1 69 SER QB . . 3.750 2.306 1.945 3.044 . 0 0 "[ . 1 . 2]" 1
565 1 69 SER H 1 70 GLY H 4.020 . 4.020 2.540 2.186 2.918 . 0 0 "[ . 1 . 2]" 1
566 1 69 SER H 1 70 GLY HA3 5.650 . 5.650 5.080 4.246 5.388 . 0 0 "[ . 1 . 2]" 1
567 1 69 SER H 1 71 THR H 6.000 . 6.000 4.597 3.934 5.310 . 0 0 "[ . 1 . 2]" 1
568 1 70 GLY H 1 70 GLY HA3 3.100 . 3.100 2.950 2.896 3.008 . 0 0 "[ . 1 . 2]" 1
569 1 70 GLY H 1 71 THR H 4.160 . 4.160 2.698 2.167 3.551 . 0 0 "[ . 1 . 2]" 1
570 1 70 GLY H 1 71 THR HB 5.460 . 5.460 5.342 5.029 5.598 0.138 6 0 "[ . 1 . 2]" 1
571 1 70 GLY HA2 1 71 THR H 4.880 . 4.880 3.206 2.760 3.600 . 0 0 "[ . 1 . 2]" 1
572 1 70 GLY HA3 1 71 THR H 4.240 . 4.240 3.251 2.648 3.551 . 0 0 "[ . 1 . 2]" 1
573 1 71 THR HA 1 71 THR MG 3.260 . 3.260 2.230 1.994 3.203 . 0 0 "[ . 1 . 2]" 1
574 1 71 THR HA 1 72 VAL H 4.200 . 4.200 2.277 2.222 2.353 . 0 0 "[ . 1 . 2]" 1
575 1 71 THR HB 1 72 VAL H 3.870 . 3.870 3.740 3.169 3.954 0.084 12 0 "[ . 1 . 2]" 1
576 1 71 THR MG 1 72 VAL H 4.160 . 4.160 2.855 2.135 3.839 . 0 0 "[ . 1 . 2]" 1
577 1 72 VAL H 1 72 VAL HB 3.910 . 3.910 2.175 2.002 2.377 . 0 0 "[ . 1 . 2]" 1
578 1 72 VAL H 1 72 VAL QG 3.450 . 3.450 2.604 2.202 2.883 . 0 0 "[ . 1 . 2]" 1
579 1 72 VAL H 1 73 ASP H 5.410 . 5.410 4.499 4.347 4.642 . 0 0 "[ . 1 . 2]" 1
580 1 72 VAL HA 1 72 VAL QG 3.230 . 3.230 2.043 1.926 2.114 . 0 0 "[ . 1 . 2]" 1
581 1 72 VAL HA 1 73 ASP H 2.920 . 2.920 2.208 2.166 2.243 . 0 0 "[ . 1 . 2]" 1
582 1 72 VAL HB 1 73 ASP H 5.360 . 5.360 4.479 4.393 4.561 . 0 0 "[ . 1 . 2]" 1
583 1 72 VAL QG 1 73 ASP H 4.190 . 4.190 2.849 2.428 3.142 . 0 0 "[ . 1 . 2]" 1
584 1 72 VAL QG 1 76 GLU H 4.440 . 4.440 4.147 3.709 4.468 0.028 13 0 "[ . 1 . 2]" 1
585 1 72 VAL QG 1 76 GLU QB . . 3.090 2.305 1.838 2.796 . 0 0 "[ . 1 . 2]" 1
586 1 72 VAL QG 1 76 GLU QG 4.200 . 4.200 3.761 3.061 4.277 0.077 17 0 "[ . 1 . 2]" 1
587 1 72 VAL QG 1 77 PHE H 3.210 . 3.210 2.788 2.438 3.227 0.017 9 0 "[ . 1 . 2]" 1
588 1 72 VAL QG 1 77 PHE HA . . 3.450 2.518 2.002 3.180 . 0 0 "[ . 1 . 2]" 1
589 1 72 VAL QG 1 77 PHE QB . . 3.370 2.355 1.975 3.170 . 0 0 "[ . 1 . 2]" 1
590 1 72 VAL QG 1 77 PHE QD 3.730 . 3.730 2.444 1.799 3.106 0.001 6 0 "[ . 1 . 2]" 1
591 1 73 ASP H 1 74 PHE H 6.000 . 6.000 4.454 4.355 4.582 . 0 0 "[ . 1 . 2]" 1
592 1 73 ASP H 1 75 ASP H 6.000 . 6.000 5.076 4.767 5.760 . 0 0 "[ . 1 . 2]" 1
593 1 73 ASP H 1 76 GLU QB 4.190 . 4.190 1.895 1.788 2.008 0.012 16 0 "[ . 1 . 2]" 1
594 1 73 ASP HA 1 74 PHE H 3.490 . 3.490 2.770 2.657 2.861 . 0 0 "[ . 1 . 2]" 1
595 1 73 ASP QB 1 74 PHE H 3.900 . 3.900 2.259 1.897 3.031 . 0 0 "[ . 1 . 2]" 1
596 1 74 PHE H 1 75 ASP H 4.650 . 4.650 2.763 2.553 2.849 . 0 0 "[ . 1 . 2]" 1
597 1 74 PHE H 1 75 ASP QB 4.340 . 4.340 4.378 4.348 4.451 0.111 2 0 "[ . 1 . 2]" 1
598 1 74 PHE HA 1 74 PHE QD 3.420 . 3.420 2.304 1.956 2.637 . 0 0 "[ . 1 . 2]" 1
599 1 74 PHE HA 1 74 PHE QE 5.190 . 5.190 4.398 4.201 4.636 . 0 0 "[ . 1 . 2]" 1
600 1 74 PHE HA 1 75 ASP H 5.300 . 5.300 3.588 3.555 3.604 . 0 0 "[ . 1 . 2]" 1
601 1 74 PHE HA 1 76 GLU H 6.000 . 6.000 4.694 4.356 4.900 . 0 0 "[ . 1 . 2]" 1
602 1 74 PHE QB 1 75 ASP H 4.400 . 4.400 2.349 2.099 2.483 . 0 0 "[ . 1 . 2]" 1
603 1 74 PHE QD 1 77 PHE QD 4.750 . 4.750 4.022 3.073 4.761 0.011 13 0 "[ . 1 . 2]" 1
604 1 74 PHE QD 1 78 LEU MD1 5.780 . 5.780 3.505 2.459 5.809 0.029 1 0 "[ . 1 . 2]" 1
605 1 74 PHE QE 1 78 LEU QD 3.690 . 3.690 2.770 2.190 3.375 . 0 0 "[ . 1 . 2]" 1
606 1 74 PHE HZ 1 78 LEU MD1 4.980 . 4.980 3.403 2.865 4.972 . 0 0 "[ . 1 . 2]" 1
607 1 74 PHE HZ 1 78 LEU QD 4.230 . 4.230 3.047 2.662 3.550 . 0 0 "[ . 1 . 2]" 1
608 1 74 PHE HZ 1 78 LEU MD2 4.600 . 4.600 3.670 2.905 4.568 . 0 0 "[ . 1 . 2]" 1
609 1 75 ASP H 1 75 ASP QB . . 3.430 2.088 1.937 2.210 . 0 0 "[ . 1 . 2]" 1
610 1 75 ASP H 1 76 GLU H . . 4.560 2.769 2.610 2.888 . 0 0 "[ . 1 . 2]" 1
611 1 75 ASP HA 1 78 LEU QB . . 3.290 2.980 2.320 3.312 0.022 11 0 "[ . 1 . 2]" 1
612 1 75 ASP HA 1 78 LEU QD . . 3.420 2.224 1.821 2.624 . 0 0 "[ . 1 . 2]" 1
613 1 75 ASP QB 1 76 GLU H . . 4.370 2.517 2.207 3.405 . 0 0 "[ . 1 . 2]" 1
614 1 76 GLU H 1 76 GLU QG 3.980 . 3.980 2.653 1.988 3.731 . 0 0 "[ . 1 . 2]" 1
615 1 76 GLU H 1 77 PHE H 4.890 . 4.890 2.670 2.566 2.789 . 0 0 "[ . 1 . 2]" 1
616 1 76 GLU H 1 78 LEU HG 6.000 . 6.000 5.909 5.673 6.029 0.029 12 0 "[ . 1 . 2]" 1
617 1 76 GLU HA 1 76 GLU QG 3.550 . 3.550 2.256 2.054 2.400 . 0 0 "[ . 1 . 2]" 1
618 1 76 GLU HA 1 76 GLU HG3 3.220 . 3.220 2.541 2.117 2.986 . 0 0 "[ . 1 . 2]" 1
619 1 76 GLU HA 1 79 VAL H 6.000 . 6.000 3.456 3.099 3.793 . 0 0 "[ . 1 . 2]" 1
620 1 76 GLU HA 1 79 VAL QG 3.250 . 3.250 2.576 1.766 3.194 0.034 16 0 "[ . 1 . 2]" 1
621 1 76 GLU QG 1 77 PHE H 5.050 . 5.050 4.258 4.029 4.486 . 0 0 "[ . 1 . 2]" 1
622 1 77 PHE H 1 77 PHE QB . . 3.840 2.136 1.993 2.180 . 0 0 "[ . 1 . 2]" 1
623 1 77 PHE H 1 78 LEU H 5.030 . 5.030 2.719 2.446 2.893 . 0 0 "[ . 1 . 2]" 1
624 1 77 PHE HA 1 77 PHE QD 3.530 . 3.530 2.546 1.971 2.893 . 0 0 "[ . 1 . 2]" 1
625 1 77 PHE QD 1 78 LEU QD 5.280 . 5.280 3.563 2.982 4.860 . 0 0 "[ . 1 . 2]" 1
626 1 78 LEU H 1 78 LEU QD 3.710 . 3.710 3.075 2.879 3.432 . 0 0 "[ . 1 . 2]" 1
627 1 78 LEU H 1 78 LEU HG 4.370 . 4.370 2.437 2.041 3.425 . 0 0 "[ . 1 . 2]" 1
628 1 78 LEU H 1 79 VAL H . . 5.150 2.708 2.503 2.886 . 0 0 "[ . 1 . 2]" 1
629 1 78 LEU HA 1 78 LEU QD . . 3.080 2.204 1.888 2.939 . 0 0 "[ . 1 . 2]" 1
630 1 78 LEU HA 1 78 LEU HG 4.500 . 4.500 2.770 2.516 3.550 . 0 0 "[ . 1 . 2]" 1
631 1 78 LEU QB 1 78 LEU QD . . 2.830 1.878 1.805 1.925 . 0 0 "[ . 1 . 2]" 1
632 1 78 LEU QB 1 79 VAL H 4.530 . 4.530 2.593 2.360 3.342 . 0 0 "[ . 1 . 2]" 1
633 1 79 VAL H 1 79 VAL HB 3.580 . 3.580 2.403 2.158 3.591 0.011 4 0 "[ . 1 . 2]" 1
634 1 79 VAL H 1 79 VAL QG 2.820 . 2.820 2.158 1.805 2.511 . 0 0 "[ . 1 . 2]" 1
635 1 79 VAL H 1 80 MET H . . 5.310 2.678 2.521 2.980 . 0 0 "[ . 1 . 2]" 1
636 1 79 VAL HA 1 79 VAL QG . . 2.780 2.142 2.039 2.383 . 0 0 "[ . 1 . 2]" 1
637 1 79 VAL HA 1 82 VAL H 3.870 . 3.870 3.672 3.250 3.881 0.011 8 0 "[ . 1 . 2]" 1
638 1 79 VAL HA 1 82 VAL QG 3.200 . 3.200 2.315 1.865 3.161 . 0 0 "[ . 1 . 2]" 1
639 1 79 VAL HB 1 80 MET H 4.130 . 4.130 2.946 2.258 4.128 . 0 0 "[ . 1 . 2]" 1
640 1 79 VAL QG 1 83 ARG QD 3.800 . 3.800 2.804 1.794 3.857 0.057 4 0 "[ . 1 . 2]" 1
641 1 79 VAL QG 1 83 ARG QG . . 3.150 3.030 2.720 3.203 0.053 4 0 "[ . 1 . 2]" 1
642 1 80 MET H 1 81 MET H 5.430 . 5.430 2.627 2.473 2.821 . 0 0 "[ . 1 . 2]" 1
643 1 80 MET HA 1 80 MET QG . . 3.610 2.321 1.996 3.336 . 0 0 "[ . 1 . 2]" 1
644 1 80 MET HA 1 83 ARG H 4.300 . 4.300 3.517 3.351 3.792 . 0 0 "[ . 1 . 2]" 1
645 1 80 MET HA 1 83 ARG QD 4.380 . 4.380 2.696 1.833 4.024 . 0 0 "[ . 1 . 2]" 1
646 1 80 MET ME 1 80 MET QG 3.440 . 3.440 2.179 1.925 2.402 . 0 0 "[ . 1 . 2]" 1
647 1 81 MET H 1 81 MET ME 4.220 . 4.220 4.180 3.629 4.299 0.079 4 0 "[ . 1 . 2]" 1
648 1 81 MET H 1 81 MET QG 4.300 . 4.300 2.734 1.983 4.033 . 0 0 "[ . 1 . 2]" 1
649 1 81 MET HA 1 81 MET ME 3.400 . 3.400 3.044 2.304 3.448 0.048 12 0 "[ . 1 . 2]" 1
650 1 81 MET HA 1 81 MET QG 3.720 . 3.720 2.735 2.185 3.188 . 0 0 "[ . 1 . 2]" 1
651 1 81 MET HA 1 84 CYS H 3.870 . 3.870 3.624 3.279 3.902 0.032 1 0 "[ . 1 . 2]" 1
652 1 81 MET HA 1 84 CYS QB 3.940 . 3.940 3.131 2.573 3.891 . 0 0 "[ . 1 . 2]" 1
653 1 81 MET QB 1 82 VAL H 5.180 . 5.180 2.429 2.295 2.633 . 0 0 "[ . 1 . 2]" 1
654 1 81 MET ME 2 5 ILE MG 4.000 . 4.000 4.009 3.841 4.106 0.106 10 0 "[ . 1 . 2]" 1
655 1 81 MET ME 2 7 ALA MB 4.000 . 4.000 2.963 1.820 3.939 . 0 0 "[ . 1 . 2]" 1
656 1 82 VAL H 1 82 VAL HB 4.270 . 4.270 2.823 2.111 3.586 . 0 0 "[ . 1 . 2]" 1
657 1 82 VAL H 1 82 VAL QG 2.790 . 2.790 2.078 1.780 2.524 0.020 2 0 "[ . 1 . 2]" 1
658 1 82 VAL HA 1 82 VAL HB . . 3.030 2.621 2.453 3.042 0.012 18 0 "[ . 1 . 2]" 1
659 1 82 VAL HA 1 82 VAL QG . . 3.030 2.209 2.037 2.328 . 0 0 "[ . 1 . 2]" 1
660 1 82 VAL HA 1 85 MET H 4.140 . 4.140 3.347 2.936 3.875 . 0 0 "[ . 1 . 2]" 1
661 1 82 VAL HA 1 85 MET ME 3.450 . 3.450 2.193 1.801 2.707 . 0 0 "[ . 1 . 2]" 1
662 1 82 VAL HB 1 83 ARG H 5.020 . 5.020 3.679 2.630 4.053 . 0 0 "[ . 1 . 2]" 1
663 1 82 VAL QG 1 83 ARG QG 3.460 . 3.460 2.865 2.211 3.505 0.045 2 0 "[ . 1 . 2]" 1
664 1 82 VAL QG 1 85 MET ME 2.580 . 2.580 2.397 1.866 2.616 0.036 2 0 "[ . 1 . 2]" 1
665 1 83 ARG H 1 83 ARG QD 5.550 . 5.550 3.895 3.371 4.627 . 0 0 "[ . 1 . 2]" 1
666 1 83 ARG H 1 83 ARG QG . . 3.980 2.705 2.177 3.263 . 0 0 "[ . 1 . 2]" 1
667 1 83 ARG HA 1 83 ARG QG . . 3.590 2.252 1.938 3.319 . 0 0 "[ . 1 . 2]" 1
668 1 83 ARG HA 1 84 CYS H 5.270 . 5.270 3.563 3.490 3.595 . 0 0 "[ . 1 . 2]" 1
669 1 83 ARG QB 1 84 CYS H 4.890 . 4.890 2.649 2.327 3.636 . 0 0 "[ . 1 . 2]" 1
670 1 83 ARG QG 1 84 CYS H 5.920 . 5.920 4.181 2.259 4.440 . 0 0 "[ . 1 . 2]" 1
671 1 84 CYS H 1 84 CYS QB 3.400 . 3.400 2.157 1.949 2.311 . 0 0 "[ . 1 . 2]" 1
672 1 84 CYS QB 2 7 ALA MB 3.960 . 3.960 3.423 2.287 4.024 0.064 9 0 "[ . 1 . 2]" 1
673 1 85 MET H 1 85 MET QG 4.070 . 4.070 3.208 1.989 4.002 . 0 0 "[ . 1 . 2]" 1
674 1 85 MET HA 1 85 MET QG 3.980 . 3.980 2.293 1.977 3.323 . 0 0 "[ . 1 . 2]" 1
675 1 86 LYS HA 1 86 LYS QG 3.450 . 3.450 2.312 1.913 3.336 . 0 0 "[ . 1 . 2]" 1
676 1 86 LYS HA 1 87 ASP H 4.920 . 4.920 2.769 2.191 3.617 . 0 0 "[ . 1 . 2]" 1
677 1 86 LYS QB 1 87 ASP H 6.000 . 6.000 3.409 1.954 4.049 . 0 0 "[ . 1 . 2]" 1
678 1 88 ASP H 1 89 SER H 5.530 . 5.530 3.805 1.961 4.640 . 0 0 "[ . 1 . 2]" 1
679 1 88 ASP HA 1 89 SER H . . 3.720 2.830 2.196 3.609 . 0 0 "[ . 1 . 2]" 1
680 1 88 ASP QB 1 89 SER H 5.160 . 5.160 3.124 1.948 3.943 . 0 0 "[ . 1 . 2]" 1
681 1 89 SER HA 1 89 SER QB 2.660 . 2.660 2.423 2.191 2.548 . 0 0 "[ . 1 . 2]" 1
682 2 4 ARG HA 2 5 ILE H 4.000 . 6.000 2.672 2.197 3.589 . 0 0 "[ . 1 . 2]" 1
683 2 5 ILE HA 2 6 SER H 4.000 . 6.000 2.596 2.203 3.592 . 0 0 "[ . 1 . 2]" 1
684 2 6 SER HA 2 7 ALA H 4.000 . 6.000 2.408 2.207 2.842 . 0 0 "[ . 1 . 2]" 1
685 2 7 ALA HA 2 8 ASP H 4.000 . 6.000 3.584 3.537 3.602 . 0 0 "[ . 1 . 2]" 1
686 2 7 ALA HA 2 10 MET H 3.000 . 4.000 3.745 3.384 4.026 0.026 1 0 "[ . 1 . 2]" 1
687 2 7 ALA MB 2 8 ASP H 4.000 . 6.000 2.393 2.067 2.717 . 0 0 "[ . 1 . 2]" 1
688 2 8 ASP H 2 9 ALA H 4.000 . 6.000 2.756 2.562 2.898 . 0 0 "[ . 1 . 2]" 1
689 2 8 ASP HA 2 9 ALA H 4.000 . 6.000 3.577 3.544 3.610 . 0 0 "[ . 1 . 2]" 1
690 2 8 ASP HA 2 11 MET H 3.500 . 5.000 3.659 3.235 4.240 . 0 0 "[ . 1 . 2]" 1
691 2 8 ASP QB 2 9 ALA H 4.000 . 6.000 3.010 2.285 3.507 . 0 0 "[ . 1 . 2]" 1
692 2 9 ALA H 2 10 MET H 4.000 . 6.000 2.744 2.390 2.962 . 0 0 "[ . 1 . 2]" 1
693 2 9 ALA HA 2 12 GLN H 4.000 . 6.000 3.758 3.555 4.165 . 0 0 "[ . 1 . 2]" 1
694 2 9 ALA MB 2 10 MET H 4.000 . 6.000 2.384 2.178 2.624 . 0 0 "[ . 1 . 2]" 1
695 2 11 MET HA 2 12 GLN H 4.000 . 6.000 3.582 3.536 3.607 . 0 0 "[ . 1 . 2]" 1
696 2 11 MET HA 2 14 LEU H 3.500 . 5.000 3.643 3.301 4.186 . 0 0 "[ . 1 . 2]" 1
697 2 12 GLN H 2 13 ALA H 4.000 . 6.000 2.681 2.510 2.831 . 0 0 "[ . 1 . 2]" 1
698 2 12 GLN HA 2 13 ALA H 4.000 . 6.000 3.560 3.498 3.587 . 0 0 "[ . 1 . 2]" 1
699 2 12 GLN HA 2 15 LEU H 3.500 . 5.000 3.873 3.091 4.635 . 0 0 "[ . 1 . 2]" 1
700 2 12 GLN QB 2 13 ALA H 4.000 . 6.000 2.701 2.456 3.623 . 0 0 "[ . 1 . 2]" 1
701 2 14 LEU H 2 15 LEU H 4.000 . 6.000 2.601 2.341 2.872 . 0 0 "[ . 1 . 2]" 1
702 2 14 LEU H 2 15 LEU QB 4.000 . 6.000 4.430 3.628 4.995 . 0 0 "[ . 1 . 2]" 1
703 2 14 LEU H 2 15 LEU HG 4.000 . 6.000 5.451 4.253 6.039 0.039 15 0 "[ . 1 . 2]" 1
704 2 16 GLY QA 2 19 ALA H 3.500 . 5.000 4.594 3.691 5.055 0.055 2 0 "[ . 1 . 2]" 1
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