NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643373 |
5j8t   |
30064 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5j8t
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 552
_Distance_constraint_stats_list.Viol_count 487
_Distance_constraint_stats_list.Viol_total 380.639
_Distance_constraint_stats_list.Viol_max 0.153
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.122 0.056 15 0 "[ . 1 . 2]"
1 5 GLU 0.017 0.017 4 0 "[ . 1 . 2]"
1 6 ASN 0.229 0.056 15 0 "[ . 1 . 2]"
1 7 ILE 1.944 0.069 7 0 "[ . 1 . 2]"
1 8 HIS 0.774 0.052 5 0 "[ . 1 . 2]"
1 9 PHE 0.407 0.047 14 0 "[ . 1 . 2]"
1 10 SER 0.079 0.063 8 0 "[ . 1 . 2]"
1 11 SER 0.063 0.063 8 0 "[ . 1 . 2]"
1 12 CYS 0.749 0.059 4 0 "[ . 1 . 2]"
1 13 LYS 0.098 0.032 14 0 "[ . 1 . 2]"
1 14 GLU 0.065 0.029 14 0 "[ . 1 . 2]"
1 15 ALA 0.097 0.029 14 0 "[ . 1 . 2]"
1 16 TRP 1.455 0.109 19 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.643 0.042 18 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.566 0.069 7 0 "[ . 1 . 2]"
1 21 SER 0.337 0.044 6 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 2.499 0.135 2 0 "[ . 1 . 2]"
1 24 HIS 0.291 0.069 9 0 "[ . 1 . 2]"
1 25 GLU 1.967 0.095 10 0 "[ . 1 . 2]"
1 26 GLY 0.012 0.012 12 0 "[ . 1 . 2]"
1 27 GLU 0.819 0.135 2 0 "[ . 1 . 2]"
1 28 PRO 0.027 0.014 13 0 "[ . 1 . 2]"
1 29 GLY 0.283 0.028 14 0 "[ . 1 . 2]"
1 30 TYR 4.779 0.098 20 0 "[ . 1 . 2]"
1 31 SER 3.179 0.094 15 0 "[ . 1 . 2]"
1 32 ALA 0.696 0.052 16 0 "[ . 1 . 2]"
1 33 LYS 0.517 0.073 12 0 "[ . 1 . 2]"
1 34 LEU 4.115 0.094 15 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.492 0.153 18 0 "[ . 1 . 2]"
1 37 ASP 0.219 0.112 19 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 1.529 0.102 12 0 "[ . 1 . 2]"
1 42 ALA 3.772 0.102 12 0 "[ . 1 . 2]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.170 0.094 3 0 "[ . 1 . 2]"
1 45 LEU 1.555 0.109 19 0 "[ . 1 . 2]"
1 46 LYS 1.247 0.116 3 0 "[ . 1 . 2]"
1 47 ASN 0.462 0.116 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 SER H . . 5.040 2.796 2.177 3.799 . 0 0 "[ . 1 . 2]" 1
2 1 3 SER HB2 1 4 GLU H . . 5.500 3.879 2.593 4.533 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER HB3 1 4 GLU H . . 5.500 3.548 2.270 4.645 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU H 1 4 GLU QG . . 4.670 3.277 1.966 4.351 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU HA 1 4 GLU QG . . 3.860 2.847 2.220 3.547 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU HA 1 6 ASN H . . 5.500 4.329 3.233 5.506 0.006 16 0 "[ . 1 . 2]" 1
7 1 4 GLU QG 1 5 GLU H . . 4.640 3.725 2.151 4.545 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU QG 1 6 ASN H . . 4.560 3.777 2.058 4.616 0.056 15 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU QB . . 3.520 2.617 2.134 3.216 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU QG . . 4.340 2.947 1.914 4.357 0.017 4 0 "[ . 1 . 2]" 1
11 1 5 GLU QB 1 6 ASN H . . 4.270 3.801 2.809 4.089 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU HB2 1 6 ASN H . . 4.860 4.279 3.042 4.676 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HB3 1 6 ASN H . . 4.860 4.321 2.897 4.638 . 0 0 "[ . 1 . 2]" 1
14 1 6 ASN H 1 6 ASN QB . . 3.630 2.511 2.218 3.383 . 0 0 "[ . 1 . 2]" 1
15 1 6 ASN H 1 6 ASN QD . . 5.250 4.105 3.038 4.946 . 0 0 "[ . 1 . 2]" 1
16 1 6 ASN H 1 7 ILE H . . 4.610 4.276 2.816 4.645 0.035 15 0 "[ . 1 . 2]" 1
17 1 6 ASN HB2 1 7 ILE H . . 5.370 4.077 2.443 4.625 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASN HB3 1 7 ILE H . . 5.370 3.890 2.827 4.681 . 0 0 "[ . 1 . 2]" 1
19 1 7 ILE H 1 7 ILE HB . . 3.750 2.339 2.285 2.444 . 0 0 "[ . 1 . 2]" 1
20 1 7 ILE H 1 7 ILE MD . . 4.810 3.509 3.311 3.883 . 0 0 "[ . 1 . 2]" 1
21 1 7 ILE H 1 7 ILE HG12 . . 4.530 3.878 3.587 4.289 . 0 0 "[ . 1 . 2]" 1
22 1 7 ILE H 1 7 ILE HG13 . . 4.280 2.568 2.225 3.106 . 0 0 "[ . 1 . 2]" 1
23 1 7 ILE H 1 7 ILE MG . . 4.380 3.757 3.734 3.779 . 0 0 "[ . 1 . 2]" 1
24 1 7 ILE H 1 28 PRO QB . . 5.340 3.841 3.640 4.013 . 0 0 "[ . 1 . 2]" 1
25 1 7 ILE HA 1 7 ILE MD . . 4.430 3.865 3.847 3.881 . 0 0 "[ . 1 . 2]" 1
26 1 7 ILE HA 1 8 HIS H . . 3.150 2.143 2.089 2.202 . 0 0 "[ . 1 . 2]" 1
27 1 7 ILE HA 1 8 HIS HA . . 4.440 4.479 4.462 4.492 0.052 5 0 "[ . 1 . 2]" 1
28 1 7 ILE HB 1 8 HIS H . . 4.530 4.199 4.095 4.313 . 0 0 "[ . 1 . 2]" 1
29 1 7 ILE HB 1 9 PHE QE . . 5.260 4.535 4.444 4.705 . 0 0 "[ . 1 . 2]" 1
30 1 7 ILE HB 1 28 PRO QB . . 4.500 2.176 2.116 2.252 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE HB 1 29 GLY H . . 5.500 4.824 4.726 4.988 . 0 0 "[ . 1 . 2]" 1
32 1 7 ILE MD 1 7 ILE MG . . 3.790 2.116 2.076 2.180 . 0 0 "[ . 1 . 2]" 1
33 1 7 ILE MD 1 8 HIS H . . 5.500 5.068 4.925 5.200 . 0 0 "[ . 1 . 2]" 1
34 1 7 ILE MD 1 9 PHE QE . . 3.740 3.756 3.714 3.773 0.033 1 0 "[ . 1 . 2]" 1
35 1 7 ILE MD 1 9 PHE HZ . . 4.660 4.181 3.728 4.492 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE MD 1 20 TYR QE . . 3.550 3.051 2.816 3.344 . 0 0 "[ . 1 . 2]" 1
37 1 7 ILE MD 1 28 PRO HA . . 4.290 4.209 4.081 4.304 0.014 13 0 "[ . 1 . 2]" 1
38 1 7 ILE MD 1 28 PRO HB2 . . 4.830 2.922 2.797 3.021 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE MD 1 28 PRO QB . . 4.220 2.153 2.110 2.220 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE MD 1 28 PRO HB3 . . 4.830 2.218 2.158 2.287 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE MD 1 28 PRO HG2 . . 5.080 3.419 3.287 3.497 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE HG12 1 8 HIS H . . 4.920 4.114 3.967 4.259 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE HG12 1 9 PHE QE . . 5.370 5.115 4.966 5.229 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE HG12 1 20 TYR QE . . 5.260 5.274 5.142 5.329 0.069 7 0 "[ . 1 . 2]" 1
45 1 7 ILE HG13 1 8 HIS H . . 5.500 4.745 4.645 4.822 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE MG 1 8 HIS H . . 4.380 2.520 2.342 2.747 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE MG 1 9 PHE QD . . 4.750 2.834 2.681 2.996 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE MG 1 9 PHE QE . . 4.030 2.408 2.337 2.469 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE MG 1 9 PHE HZ . . 4.250 3.253 2.903 3.522 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE MG 1 20 TYR QD . . 5.050 4.463 4.312 4.723 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE MG 1 20 TYR QE . . 4.640 3.332 3.107 3.576 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE MG 1 28 PRO HB2 . . 4.600 2.273 2.194 2.377 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE MG 1 28 PRO HB3 . . 4.600 3.086 2.866 3.305 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE MG 1 29 GLY H . . 4.760 4.583 4.453 4.706 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE MG 1 29 GLY HA2 . . 5.100 4.993 4.870 5.047 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE MG 1 29 GLY QA . . 4.460 4.462 4.359 4.488 0.028 14 0 "[ . 1 . 2]" 1
57 1 7 ILE MG 1 29 GLY HA3 . . 5.100 5.025 4.917 5.073 . 0 0 "[ . 1 . 2]" 1
58 1 8 HIS H 1 8 HIS HD2 . . 5.500 4.152 2.891 5.252 . 0 0 "[ . 1 . 2]" 1
59 1 8 HIS H 1 9 PHE H . . 5.250 3.762 3.276 4.050 . 0 0 "[ . 1 . 2]" 1
60 1 8 HIS HA 1 8 HIS QB . . 2.590 2.262 2.158 2.424 . 0 0 "[ . 1 . 2]" 1
61 1 8 HIS HA 1 9 PHE H . . 3.280 2.243 2.136 2.509 . 0 0 "[ . 1 . 2]" 1
62 1 8 HIS HA 1 9 PHE QD . . 5.020 4.672 4.457 4.960 . 0 0 "[ . 1 . 2]" 1
63 1 8 HIS QB 1 9 PHE H . . 4.090 3.814 3.512 4.064 . 0 0 "[ . 1 . 2]" 1
64 1 8 HIS HB2 1 9 PHE H . . 4.660 4.267 3.767 4.618 . 0 0 "[ . 1 . 2]" 1
65 1 8 HIS HB3 1 9 PHE H . . 4.660 4.375 3.685 4.632 . 0 0 "[ . 1 . 2]" 1
66 1 9 PHE H 1 9 PHE HB2 . . 3.770 2.373 2.301 2.463 . 0 0 "[ . 1 . 2]" 1
67 1 9 PHE H 1 9 PHE HB3 . . 4.000 3.612 3.572 3.683 . 0 0 "[ . 1 . 2]" 1
68 1 9 PHE H 1 9 PHE QD . . 4.430 2.978 2.785 3.416 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE H 1 10 SER H . . 5.340 4.590 4.484 4.692 . 0 0 "[ . 1 . 2]" 1
70 1 9 PHE H 1 34 LEU MD2 . . 4.950 2.256 1.952 2.746 . 0 0 "[ . 1 . 2]" 1
71 1 9 PHE HA 1 9 PHE QD . . 3.510 2.557 2.387 2.733 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE HA 1 10 SER H . . 3.350 2.195 2.142 2.248 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE HA 1 11 SER H . . 4.970 3.954 3.831 4.226 . 0 0 "[ . 1 . 2]" 1
74 1 9 PHE HA 1 34 LEU MD1 . . 5.090 4.502 4.338 4.612 . 0 0 "[ . 1 . 2]" 1
75 1 9 PHE HB2 1 10 SER H . . 4.590 4.209 4.044 4.327 . 0 0 "[ . 1 . 2]" 1
76 1 9 PHE HB2 1 11 SER H . . 4.680 4.125 3.772 4.403 . 0 0 "[ . 1 . 2]" 1
77 1 9 PHE HB2 1 34 LEU MD1 . . 3.630 2.120 2.081 2.185 . 0 0 "[ . 1 . 2]" 1
78 1 9 PHE HB2 1 34 LEU MD2 . . 3.660 2.202 2.107 2.302 . 0 0 "[ . 1 . 2]" 1
79 1 9 PHE HB3 1 10 SER H . . 4.080 3.175 2.915 3.337 . 0 0 "[ . 1 . 2]" 1
80 1 9 PHE HB3 1 11 SER H . . 4.010 2.803 2.600 3.129 . 0 0 "[ . 1 . 2]" 1
81 1 9 PHE HB3 1 15 ALA H . . 4.820 3.995 3.754 4.119 . 0 0 "[ . 1 . 2]" 1
82 1 9 PHE HB3 1 15 ALA MB . . 4.620 3.375 3.144 3.620 . 0 0 "[ . 1 . 2]" 1
83 1 9 PHE HB3 1 34 LEU MD1 . . 5.450 2.724 2.414 2.961 . 0 0 "[ . 1 . 2]" 1
84 1 9 PHE HB3 1 34 LEU MD2 . . 3.850 3.677 3.558 3.799 . 0 0 "[ . 1 . 2]" 1
85 1 9 PHE QD 1 10 SER H . . 4.900 3.709 3.584 3.930 . 0 0 "[ . 1 . 2]" 1
86 1 9 PHE QD 1 14 GLU QB . . 3.950 2.887 2.510 3.477 . 0 0 "[ . 1 . 2]" 1
87 1 9 PHE QD 1 14 GLU QG . . 3.830 2.885 2.474 3.179 . 0 0 "[ . 1 . 2]" 1
88 1 9 PHE QD 1 15 ALA MB . . 3.870 3.359 3.196 3.550 . 0 0 "[ . 1 . 2]" 1
89 1 9 PHE QD 1 18 ASN QD . . 5.340 4.624 4.339 4.828 . 0 0 "[ . 1 . 2]" 1
90 1 9 PHE QD 1 29 GLY QA . . 4.140 3.370 3.278 3.501 . 0 0 "[ . 1 . 2]" 1
91 1 9 PHE QD 1 34 LEU MD1 . . 5.500 3.422 3.140 3.742 . 0 0 "[ . 1 . 2]" 1
92 1 9 PHE QD 1 34 LEU MD2 . . 3.960 3.036 2.564 3.391 . 0 0 "[ . 1 . 2]" 1
93 1 9 PHE QE 1 14 GLU HG2 . . 5.500 3.948 3.044 4.760 . 0 0 "[ . 1 . 2]" 1
94 1 9 PHE QE 1 14 GLU HG3 . . 5.500 4.329 3.048 5.497 . 0 0 "[ . 1 . 2]" 1
95 1 9 PHE QE 1 15 ALA HA . . 4.570 3.327 2.838 4.024 . 0 0 "[ . 1 . 2]" 1
96 1 9 PHE QE 1 15 ALA MB . . 4.880 3.607 3.383 3.835 . 0 0 "[ . 1 . 2]" 1
97 1 9 PHE QE 1 18 ASN QB . . 4.500 3.882 3.674 4.212 . 0 0 "[ . 1 . 2]" 1
98 1 9 PHE QE 1 18 ASN HD21 . . 4.960 3.769 3.474 4.369 . 0 0 "[ . 1 . 2]" 1
99 1 9 PHE QE 1 18 ASN QD . . 4.240 3.505 3.269 3.921 . 0 0 "[ . 1 . 2]" 1
100 1 9 PHE QE 1 18 ASN HD22 . . 4.960 4.185 3.842 4.454 . 0 0 "[ . 1 . 2]" 1
101 1 9 PHE QE 1 20 TYR QB . . 4.420 4.086 3.886 4.202 . 0 0 "[ . 1 . 2]" 1
102 1 9 PHE QE 1 20 TYR QD . . 4.670 2.670 2.433 2.946 . 0 0 "[ . 1 . 2]" 1
103 1 9 PHE QE 1 23 ILE MD . . 4.390 4.244 4.036 4.437 0.047 14 0 "[ . 1 . 2]" 1
104 1 9 PHE QE 1 29 GLY HA2 . . 5.500 5.441 5.352 5.505 0.005 7 0 "[ . 1 . 2]" 1
105 1 9 PHE QE 1 29 GLY QA . . 4.820 4.363 4.260 4.435 . 0 0 "[ . 1 . 2]" 1
106 1 9 PHE QE 1 29 GLY HA3 . . 5.500 4.593 4.469 4.683 . 0 0 "[ . 1 . 2]" 1
107 1 9 PHE QE 1 34 LEU MD2 . . 5.500 5.015 4.605 5.350 . 0 0 "[ . 1 . 2]" 1
108 1 9 PHE HZ 1 15 ALA HA . . 5.500 3.975 3.634 4.500 . 0 0 "[ . 1 . 2]" 1
109 1 9 PHE HZ 1 15 ALA MB . . 4.840 4.160 3.790 4.581 . 0 0 "[ . 1 . 2]" 1
110 1 9 PHE HZ 1 18 ASN QB . . 4.570 4.129 3.958 4.364 . 0 0 "[ . 1 . 2]" 1
111 1 9 PHE HZ 1 20 TYR QB . . 5.030 4.244 3.930 4.581 . 0 0 "[ . 1 . 2]" 1
112 1 9 PHE HZ 1 20 TYR QD . . 4.430 3.379 3.140 3.668 . 0 0 "[ . 1 . 2]" 1
113 1 9 PHE HZ 1 20 TYR QE . . 4.540 2.822 2.621 2.947 . 0 0 "[ . 1 . 2]" 1
114 1 10 SER H 1 10 SER QB . . 3.750 2.355 2.201 2.595 . 0 0 "[ . 1 . 2]" 1
115 1 10 SER H 1 11 SER H . . 3.640 2.652 2.494 2.756 . 0 0 "[ . 1 . 2]" 1
116 1 10 SER H 1 14 GLU HB2 . . 5.110 4.564 4.195 4.907 . 0 0 "[ . 1 . 2]" 1
117 1 10 SER H 1 14 GLU QB . . 4.470 3.730 3.406 3.974 . 0 0 "[ . 1 . 2]" 1
118 1 10 SER H 1 14 GLU HB3 . . 5.110 3.961 3.570 4.232 . 0 0 "[ . 1 . 2]" 1
119 1 10 SER HA 1 34 LEU MD1 . . 5.210 4.784 4.418 5.223 0.013 1 0 "[ . 1 . 2]" 1
120 1 10 SER QB 1 11 SER H . . 3.200 2.781 2.502 3.263 0.063 8 0 "[ . 1 . 2]" 1
121 1 11 SER H 1 11 SER QB . . 3.610 2.889 2.776 3.291 . 0 0 "[ . 1 . 2]" 1
122 1 11 SER H 1 12 CYS H . . 4.570 4.343 4.284 4.404 . 0 0 "[ . 1 . 2]" 1
123 1 11 SER H 1 14 GLU QB . . 4.170 3.062 2.814 3.187 . 0 0 "[ . 1 . 2]" 1
124 1 11 SER H 1 34 LEU MD1 . . 4.820 3.697 3.362 3.947 . 0 0 "[ . 1 . 2]" 1
125 1 11 SER H 1 34 LEU MD2 . . 5.250 4.995 4.804 5.208 . 0 0 "[ . 1 . 2]" 1
126 1 11 SER HA 1 12 CYS H . . 3.470 2.325 2.280 2.369 . 0 0 "[ . 1 . 2]" 1
127 1 11 SER HA 1 13 LYS H . . 5.490 4.032 3.921 4.219 . 0 0 "[ . 1 . 2]" 1
128 1 11 SER HA 1 34 LEU MD1 . . 3.680 3.014 2.605 3.402 . 0 0 "[ . 1 . 2]" 1
129 1 11 SER QB 1 12 CYS H . . 3.710 3.124 2.586 3.578 . 0 0 "[ . 1 . 2]" 1
130 1 11 SER QB 1 13 LYS H . . 4.790 2.625 2.076 2.938 . 0 0 "[ . 1 . 2]" 1
131 1 11 SER QB 1 34 LEU MD1 . . 5.340 4.478 4.012 4.860 . 0 0 "[ . 1 . 2]" 1
132 1 12 CYS H 1 12 CYS HB2 . . 3.690 2.280 2.239 2.307 . 0 0 "[ . 1 . 2]" 1
133 1 12 CYS H 1 13 LYS H . . 4.110 2.900 2.766 3.025 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS H 1 15 ALA MB . . 5.500 4.540 4.468 4.636 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS H 1 34 LEU MD1 . . 4.250 3.052 2.904 3.210 . 0 0 "[ . 1 . 2]" 1
136 1 12 CYS H 1 34 LEU MD2 . . 5.500 5.537 5.510 5.559 0.059 4 0 "[ . 1 . 2]" 1
137 1 12 CYS HA 1 15 ALA H . . 4.280 2.946 2.844 3.066 . 0 0 "[ . 1 . 2]" 1
138 1 12 CYS HA 1 15 ALA MB . . 3.640 2.193 2.123 2.275 . 0 0 "[ . 1 . 2]" 1
139 1 12 CYS HA 1 16 TRP H . . 5.340 3.756 3.682 3.874 . 0 0 "[ . 1 . 2]" 1
140 1 12 CYS HB2 1 13 LYS H . . 4.460 3.268 3.208 3.363 . 0 0 "[ . 1 . 2]" 1
141 1 12 CYS HB2 1 16 TRP HZ3 . . 5.500 3.836 3.506 4.379 . 0 0 "[ . 1 . 2]" 1
142 1 12 CYS HB3 1 13 LYS H . . 5.500 3.742 3.650 3.827 . 0 0 "[ . 1 . 2]" 1
143 1 12 CYS HB3 1 15 ALA MB . . 4.230 3.663 3.548 3.958 . 0 0 "[ . 1 . 2]" 1
144 1 12 CYS HB3 1 16 TRP HH2 . . 5.420 3.879 3.712 4.268 . 0 0 "[ . 1 . 2]" 1
145 1 12 CYS HB3 1 16 TRP HZ2 . . 5.060 4.191 3.979 4.490 . 0 0 "[ . 1 . 2]" 1
146 1 12 CYS HB3 1 16 TRP HZ3 . . 5.500 3.614 3.419 3.979 . 0 0 "[ . 1 . 2]" 1
147 1 12 CYS HB3 1 43 CYS HB3 . . 4.240 2.849 2.736 2.923 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS H 1 13 LYS QB . . 3.830 2.328 2.119 2.557 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS H 1 13 LYS QG . . 3.890 2.907 2.068 3.916 0.026 14 0 "[ . 1 . 2]" 1
150 1 13 LYS H 1 14 GLU H . . 3.870 2.797 2.661 2.894 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS H 1 14 GLU QB . . 5.210 4.529 4.386 4.655 . 0 0 "[ . 1 . 2]" 1
152 1 13 LYS H 1 15 ALA H . . 4.340 4.121 3.972 4.219 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS HA 1 13 LYS QG . . 3.470 2.394 2.217 2.875 . 0 0 "[ . 1 . 2]" 1
154 1 13 LYS HA 1 16 TRP H . . 4.680 3.741 3.648 3.842 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS HA 1 16 TRP HB2 . . 5.410 2.965 2.824 3.109 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS HA 1 16 TRP HB3 . . 5.020 4.571 4.423 4.754 . 0 0 "[ . 1 . 2]" 1
157 1 13 LYS HA 1 16 TRP HE3 . . 3.380 2.176 2.097 2.359 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS HA 1 16 TRP HZ3 . . 4.590 3.834 3.697 4.102 . 0 0 "[ . 1 . 2]" 1
159 1 13 LYS QB 1 14 GLU H . . 4.500 2.703 2.613 2.876 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS QD 1 14 GLU H . . 5.500 4.897 3.979 5.449 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS QD 1 16 TRP HE3 . . 5.500 4.688 2.397 5.532 0.032 14 0 "[ . 1 . 2]" 1
162 1 13 LYS QG 1 16 TRP HE3 . . 4.430 3.274 2.941 3.776 . 0 0 "[ . 1 . 2]" 1
163 1 13 LYS QG 1 16 TRP HZ3 . . 4.820 3.471 2.939 4.437 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS HG2 1 16 TRP HE3 . . 5.100 3.763 3.016 5.120 0.020 7 0 "[ . 1 . 2]" 1
165 1 13 LYS HG3 1 16 TRP HE3 . . 5.100 4.068 3.204 5.061 . 0 0 "[ . 1 . 2]" 1
166 1 14 GLU H 1 14 GLU HB2 . . 3.620 2.462 2.299 2.624 . 0 0 "[ . 1 . 2]" 1
167 1 14 GLU H 1 14 GLU HB3 . . 3.620 2.557 2.395 2.733 . 0 0 "[ . 1 . 2]" 1
168 1 14 GLU H 1 14 GLU HG2 . . 5.270 4.549 4.430 4.641 . 0 0 "[ . 1 . 2]" 1
169 1 14 GLU H 1 14 GLU QG . . 4.600 4.033 3.981 4.085 . 0 0 "[ . 1 . 2]" 1
170 1 14 GLU H 1 14 GLU HG3 . . 5.270 4.505 4.439 4.539 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLU H 1 15 ALA H . . 3.820 2.510 2.432 2.586 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLU H 1 15 ALA MB . . 4.150 4.133 4.090 4.179 0.029 14 0 "[ . 1 . 2]" 1
173 1 14 GLU H 1 16 TRP H . . 5.500 4.305 4.248 4.395 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLU H 1 17 ALA H . . 5.500 4.876 4.790 5.006 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLU HA 1 14 GLU QG . . 3.720 2.596 2.324 2.929 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLU HA 1 15 ALA MB . . 5.150 5.021 5.003 5.042 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLU HA 1 17 ALA H . . 4.320 3.519 3.379 3.619 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLU HA 1 18 ASN H . . 4.960 4.875 4.798 4.967 0.007 4 0 "[ . 1 . 2]" 1
179 1 14 GLU QB 1 15 ALA H . . 3.770 2.682 2.600 2.785 . 0 0 "[ . 1 . 2]" 1
180 1 14 GLU HB2 1 15 ALA H . . 4.460 3.882 3.724 4.012 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLU HB3 1 15 ALA H . . 4.460 2.734 2.643 2.841 . 0 0 "[ . 1 . 2]" 1
182 1 14 GLU QG 1 18 ASN QD . . 3.940 2.787 2.623 2.927 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLU HG2 1 18 ASN HD21 . . 5.500 4.114 3.140 4.937 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLU HG2 1 18 ASN HD22 . . 5.500 4.181 3.373 4.912 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLU HG3 1 18 ASN HD21 . . 5.500 3.430 2.948 4.006 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLU HG3 1 18 ASN HD22 . . 5.500 3.443 3.024 3.939 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA H 1 15 ALA MB . . 3.430 2.170 2.029 2.207 . 0 0 "[ . 1 . 2]" 1
188 1 15 ALA H 1 16 TRP H . . 4.020 2.824 2.767 2.874 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA H 1 16 TRP HB2 . . 5.360 4.761 4.674 4.831 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA H 1 17 ALA H . . 4.820 4.190 4.142 4.250 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA HA 1 18 ASN H . . 4.590 3.596 3.527 3.673 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA HA 1 18 ASN QB . . 4.490 2.991 2.864 3.100 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA HA 1 18 ASN QD . . 5.340 3.251 3.142 3.333 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA HA 1 20 TYR QD . . 4.850 4.184 4.037 4.282 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA MB 1 16 TRP H . . 3.610 2.439 2.396 2.635 . 0 0 "[ . 1 . 2]" 1
196 1 15 ALA MB 1 16 TRP HB2 . . 5.220 4.442 4.387 4.598 . 0 0 "[ . 1 . 2]" 1
197 1 15 ALA MB 1 16 TRP HD1 . . 4.970 4.763 4.528 4.838 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA MB 1 16 TRP HE1 . . 5.500 5.425 5.236 5.524 0.024 19 0 "[ . 1 . 2]" 1
199 1 15 ALA MB 1 18 ASN QD . . 5.340 4.628 4.550 4.687 . 0 0 "[ . 1 . 2]" 1
200 1 15 ALA MB 1 20 TYR H . . 4.250 3.941 3.812 4.030 . 0 0 "[ . 1 . 2]" 1
201 1 15 ALA MB 1 20 TYR HA . . 4.900 4.635 4.474 4.750 . 0 0 "[ . 1 . 2]" 1
202 1 15 ALA MB 1 20 TYR QB . . 3.720 2.087 2.062 2.163 . 0 0 "[ . 1 . 2]" 1
203 1 15 ALA MB 1 43 CYS HB2 . . 5.110 3.644 3.472 3.793 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA MB 1 43 CYS HB3 . . 5.500 3.379 3.210 3.501 . 0 0 "[ . 1 . 2]" 1
205 1 16 TRP H 1 16 TRP HB2 . . 3.960 2.351 2.325 2.385 . 0 0 "[ . 1 . 2]" 1
206 1 16 TRP H 1 16 TRP HB3 . . 3.660 3.571 3.560 3.584 . 0 0 "[ . 1 . 2]" 1
207 1 16 TRP H 1 16 TRP HD1 . . 4.990 4.147 3.998 4.238 . 0 0 "[ . 1 . 2]" 1
208 1 16 TRP H 1 16 TRP HE3 . . 5.500 3.896 3.805 4.007 . 0 0 "[ . 1 . 2]" 1
209 1 16 TRP H 1 17 ALA H . . 4.130 2.899 2.878 2.919 . 0 0 "[ . 1 . 2]" 1
210 1 16 TRP H 1 17 ALA MB . . 5.500 4.518 4.459 4.541 . 0 0 "[ . 1 . 2]" 1
211 1 16 TRP H 1 18 ASN H . . 5.500 4.226 4.197 4.262 . 0 0 "[ . 1 . 2]" 1
212 1 16 TRP HA 1 16 TRP HD1 . . 3.770 2.275 2.202 2.337 . 0 0 "[ . 1 . 2]" 1
213 1 16 TRP HB2 1 16 TRP HE3 . . 4.210 2.549 2.510 2.595 . 0 0 "[ . 1 . 2]" 1
214 1 16 TRP HB2 1 17 ALA H . . 4.240 2.879 2.831 2.943 . 0 0 "[ . 1 . 2]" 1
215 1 16 TRP HB2 1 17 ALA MB . . 4.420 4.272 4.226 4.322 . 0 0 "[ . 1 . 2]" 1
216 1 16 TRP HB3 1 16 TRP HE3 . . 3.650 3.671 3.658 3.687 0.037 16 0 "[ . 1 . 2]" 1
217 1 16 TRP HB3 1 17 ALA H . . 3.990 3.581 3.502 3.657 . 0 0 "[ . 1 . 2]" 1
218 1 16 TRP HD1 1 21 SER HA . . 4.070 3.629 3.271 3.850 . 0 0 "[ . 1 . 2]" 1
219 1 16 TRP HD1 1 21 SER QB . . 3.450 2.498 2.103 3.452 0.002 20 0 "[ . 1 . 2]" 1
220 1 16 TRP HD1 1 43 CYS HB2 . . 5.500 4.362 4.197 4.460 . 0 0 "[ . 1 . 2]" 1
221 1 16 TRP HD1 1 43 CYS HB3 . . 4.500 3.716 3.581 3.898 . 0 0 "[ . 1 . 2]" 1
222 1 16 TRP HD1 1 45 LEU MD1 . . 5.500 3.300 2.703 4.857 . 0 0 "[ . 1 . 2]" 1
223 1 16 TRP HD1 1 45 LEU QD . . 4.670 2.934 2.635 3.449 . 0 0 "[ . 1 . 2]" 1
224 1 16 TRP HD1 1 45 LEU MD2 . . 5.500 3.724 2.713 5.487 . 0 0 "[ . 1 . 2]" 1
225 1 16 TRP HE1 1 21 SER HA . . 4.450 3.163 2.845 3.387 . 0 0 "[ . 1 . 2]" 1
226 1 16 TRP HE1 1 21 SER QB . . 4.200 2.815 2.533 3.048 . 0 0 "[ . 1 . 2]" 1
227 1 16 TRP HE1 1 22 ASP H . . 5.370 3.997 3.803 4.292 . 0 0 "[ . 1 . 2]" 1
228 1 16 TRP HE1 1 43 CYS HA . . 4.940 3.668 3.490 3.964 . 0 0 "[ . 1 . 2]" 1
229 1 16 TRP HE1 1 43 CYS HB2 . . 4.280 3.515 3.331 3.685 . 0 0 "[ . 1 . 2]" 1
230 1 16 TRP HE1 1 43 CYS HB3 . . 3.710 2.848 2.686 3.101 . 0 0 "[ . 1 . 2]" 1
231 1 16 TRP HE1 1 45 LEU QB . . 5.260 4.142 2.249 5.109 . 0 0 "[ . 1 . 2]" 1
232 1 16 TRP HE1 1 45 LEU MD1 . . 5.500 3.178 2.124 4.333 . 0 0 "[ . 1 . 2]" 1
233 1 16 TRP HE1 1 45 LEU QD . . 4.520 2.656 1.960 3.279 . 0 0 "[ . 1 . 2]" 1
234 1 16 TRP HE1 1 45 LEU MD2 . . 5.500 3.351 1.969 5.053 . 0 0 "[ . 1 . 2]" 1
235 1 16 TRP HE1 1 45 LEU HG . . 4.900 3.373 2.145 5.009 0.109 19 0 "[ . 1 . 2]" 1
236 1 16 TRP HE3 1 17 ALA H . . 5.500 5.137 5.082 5.228 . 0 0 "[ . 1 . 2]" 1
237 1 16 TRP HH2 1 43 CYS HA . . 5.280 3.877 3.658 4.220 . 0 0 "[ . 1 . 2]" 1
238 1 16 TRP HH2 1 43 CYS HB3 . . 5.230 4.992 4.830 5.147 . 0 0 "[ . 1 . 2]" 1
239 1 16 TRP HH2 1 45 LEU QD . . 5.440 4.982 4.584 5.434 . 0 0 "[ . 1 . 2]" 1
240 1 16 TRP HZ2 1 21 SER QB . . 5.370 5.271 4.830 5.414 0.044 6 0 "[ . 1 . 2]" 1
241 1 16 TRP HZ2 1 43 CYS HB3 . . 3.970 3.649 3.519 3.770 . 0 0 "[ . 1 . 2]" 1
242 1 16 TRP HZ2 1 45 LEU H . . 5.500 5.302 5.086 5.474 . 0 0 "[ . 1 . 2]" 1
243 1 16 TRP HZ2 1 45 LEU HA . . 4.570 4.467 4.210 4.615 0.045 14 0 "[ . 1 . 2]" 1
244 1 16 TRP HZ2 1 45 LEU MD1 . . 5.500 4.643 2.859 5.561 0.061 9 0 "[ . 1 . 2]" 1
245 1 16 TRP HZ2 1 45 LEU QD . . 4.490 3.537 2.850 3.942 . 0 0 "[ . 1 . 2]" 1
246 1 16 TRP HZ2 1 45 LEU MD2 . . 5.500 4.284 3.279 5.596 0.096 1 0 "[ . 1 . 2]" 1
247 1 17 ALA H 1 17 ALA MB . . 3.240 2.200 2.059 2.221 . 0 0 "[ . 1 . 2]" 1
248 1 17 ALA H 1 18 ASN H . . 3.840 2.752 2.716 2.791 . 0 0 "[ . 1 . 2]" 1
249 1 17 ALA HA 1 19 GLY H . . 5.120 3.800 3.727 3.913 . 0 0 "[ . 1 . 2]" 1
250 1 17 ALA MB 1 18 ASN H . . 4.040 2.970 2.906 3.042 . 0 0 "[ . 1 . 2]" 1
251 1 17 ALA MB 1 18 ASN HD21 . . 4.740 3.057 2.981 3.156 . 0 0 "[ . 1 . 2]" 1
252 1 17 ALA MB 1 18 ASN QD . . 4.050 2.904 2.831 3.003 . 0 0 "[ . 1 . 2]" 1
253 1 17 ALA MB 1 18 ASN HD22 . . 4.740 3.626 3.497 3.764 . 0 0 "[ . 1 . 2]" 1
254 1 18 ASN H 1 18 ASN QB . . 3.370 2.341 2.314 2.366 . 0 0 "[ . 1 . 2]" 1
255 1 18 ASN H 1 18 ASN HD21 . . 4.060 2.641 2.604 2.672 . 0 0 "[ . 1 . 2]" 1
256 1 18 ASN H 1 18 ASN QD . . 3.500 2.610 2.576 2.640 . 0 0 "[ . 1 . 2]" 1
257 1 18 ASN H 1 18 ASN HD22 . . 4.060 4.092 4.070 4.102 0.042 18 0 "[ . 1 . 2]" 1
258 1 18 ASN H 1 19 GLY H . . 3.710 2.456 2.386 2.500 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASN H 1 20 TYR H . . 5.500 3.416 3.329 3.464 . 0 0 "[ . 1 . 2]" 1
260 1 18 ASN QB 1 20 TYR H . . 5.340 3.235 3.092 3.371 . 0 0 "[ . 1 . 2]" 1
261 1 18 ASN QB 1 20 TYR QE . . 4.570 2.986 2.412 3.452 . 0 0 "[ . 1 . 2]" 1
262 1 18 ASN HB2 1 20 TYR QD . . 4.220 3.216 2.762 3.564 . 0 0 "[ . 1 . 2]" 1
263 1 18 ASN HB2 1 20 TYR QE . . 5.260 4.045 3.432 4.518 . 0 0 "[ . 1 . 2]" 1
264 1 18 ASN HB3 1 20 TYR QD . . 4.220 3.097 2.742 3.391 . 0 0 "[ . 1 . 2]" 1
265 1 18 ASN HB3 1 20 TYR QE . . 5.260 3.077 2.464 3.592 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLY H 1 20 TYR H . . 3.820 2.627 2.568 2.689 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLY QA 1 20 TYR QD . . 4.910 3.790 3.746 3.854 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR H 1 20 TYR QB . . 3.600 2.309 2.279 2.345 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR H 1 20 TYR QD . . 4.020 2.490 2.269 2.710 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR HA 1 20 TYR QD . . 4.340 2.900 2.709 3.085 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR HA 1 21 SER H . . 3.340 2.168 2.118 2.240 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR QB 1 21 SER H . . 4.210 3.633 3.382 3.790 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR QB 1 23 ILE MD . . 3.460 2.597 2.389 2.696 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QB 1 23 ILE HG12 . . 4.080 3.444 3.236 3.561 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QD 1 21 SER H . . 4.790 4.709 4.569 4.832 0.042 8 0 "[ . 1 . 2]" 1
276 1 20 TYR QD 1 23 ILE MD . . 3.910 3.098 2.741 3.282 . 0 0 "[ . 1 . 2]" 1
277 1 20 TYR QD 1 23 ILE HG12 . . 4.420 3.899 3.648 4.180 . 0 0 "[ . 1 . 2]" 1
278 1 20 TYR QD 1 23 ILE MG . . 4.860 4.680 4.440 4.869 0.009 19 0 "[ . 1 . 2]" 1
279 1 20 TYR QD 1 29 GLY QA . . 5.340 4.970 4.703 5.167 . 0 0 "[ . 1 . 2]" 1
280 1 20 TYR QE 1 28 PRO QB . . 4.050 3.428 3.234 3.651 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR QE 1 28 PRO HG2 . . 5.500 2.310 2.259 2.462 . 0 0 "[ . 1 . 2]" 1
282 1 20 TYR QE 1 28 PRO HG3 . . 5.500 2.530 2.393 2.843 . 0 0 "[ . 1 . 2]" 1
283 1 21 SER H 1 21 SER QB . . 3.670 3.017 2.491 3.269 . 0 0 "[ . 1 . 2]" 1
284 1 21 SER H 1 23 ILE MD . . 5.250 4.800 4.520 5.150 . 0 0 "[ . 1 . 2]" 1
285 1 21 SER H 1 23 ILE HG12 . . 5.370 4.617 4.276 5.248 . 0 0 "[ . 1 . 2]" 1
286 1 21 SER HA 1 23 ILE H . . 5.260 3.611 3.459 3.746 . 0 0 "[ . 1 . 2]" 1
287 1 21 SER HA 1 23 ILE MD . . 5.500 4.090 3.853 4.317 . 0 0 "[ . 1 . 2]" 1
288 1 21 SER QB 1 22 ASP H . . 3.680 2.608 2.365 3.405 . 0 0 "[ . 1 . 2]" 1
289 1 21 SER QB 1 45 LEU H . . 5.110 4.150 3.473 5.148 0.038 6 0 "[ . 1 . 2]" 1
290 1 21 SER QB 1 45 LEU QB . . 4.350 3.198 2.020 4.166 . 0 0 "[ . 1 . 2]" 1
291 1 21 SER QB 1 45 LEU MD1 . . 4.540 2.617 1.926 4.023 . 0 0 "[ . 1 . 2]" 1
292 1 21 SER QB 1 45 LEU QD . . 3.460 2.224 1.914 2.659 . 0 0 "[ . 1 . 2]" 1
293 1 21 SER QB 1 45 LEU MD2 . . 4.540 3.363 1.917 4.211 . 0 0 "[ . 1 . 2]" 1
294 1 21 SER QB 1 45 LEU HG . . 5.380 3.358 2.309 4.797 . 0 0 "[ . 1 . 2]" 1
295 1 22 ASP H 1 22 ASP QB . . 3.490 3.130 2.785 3.381 . 0 0 "[ . 1 . 2]" 1
296 1 22 ASP H 1 23 ILE H . . 3.940 2.911 2.836 2.951 . 0 0 "[ . 1 . 2]" 1
297 1 22 ASP H 1 23 ILE HG13 . . 4.290 4.095 3.916 4.255 . 0 0 "[ . 1 . 2]" 1
298 1 22 ASP H 1 41 VAL MG1 . . 4.980 4.052 3.817 4.214 . 0 0 "[ . 1 . 2]" 1
299 1 22 ASP H 1 43 CYS HB2 . . 5.020 3.959 3.585 4.230 . 0 0 "[ . 1 . 2]" 1
300 1 22 ASP H 1 44 GLU HA . . 3.930 2.687 2.476 2.843 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASP H 1 44 GLU HB2 . . 5.360 5.149 4.880 5.278 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASP H 1 45 LEU H . . 5.030 3.679 3.159 4.202 . 0 0 "[ . 1 . 2]" 1
303 1 22 ASP HA 1 41 VAL MG1 . . 3.370 2.709 2.507 2.928 . 0 0 "[ . 1 . 2]" 1
304 1 22 ASP HA 1 41 VAL MG2 . . 5.200 4.917 4.619 5.130 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASP HA 1 44 GLU HA . . 3.990 2.952 2.609 3.343 . 0 0 "[ . 1 . 2]" 1
306 1 22 ASP HA 1 44 GLU HB3 . . 4.650 4.073 3.740 4.364 . 0 0 "[ . 1 . 2]" 1
307 1 22 ASP HA 1 45 LEU H . . 5.500 4.150 3.702 4.763 . 0 0 "[ . 1 . 2]" 1
308 1 22 ASP QB 1 41 VAL MG1 . . 4.370 3.939 3.460 4.229 . 0 0 "[ . 1 . 2]" 1
309 1 23 ILE H 1 23 ILE HB . . 3.650 2.446 2.348 2.524 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE H 1 23 ILE MD . . 4.630 3.396 3.254 3.510 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE H 1 23 ILE HG12 . . 4.570 3.519 3.352 3.754 . 0 0 "[ . 1 . 2]" 1
312 1 23 ILE H 1 23 ILE HG13 . . 3.520 2.161 2.048 2.364 . 0 0 "[ . 1 . 2]" 1
313 1 23 ILE H 1 41 VAL MG1 . . 4.160 3.512 3.379 3.626 . 0 0 "[ . 1 . 2]" 1
314 1 23 ILE H 1 42 ALA H . . 4.440 3.432 3.122 3.598 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE H 1 42 ALA MB . . 4.280 3.996 3.774 4.157 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE H 1 43 CYS HB2 . . 5.500 4.031 3.887 4.168 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE HA 1 23 ILE HG12 . . 3.850 2.713 2.629 2.759 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE HA 1 23 ILE HG13 . . 3.900 2.980 2.797 3.065 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE HA 1 23 ILE MG . . 3.590 2.524 2.425 2.587 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE HA 1 24 HIS H . . 3.250 2.143 2.110 2.167 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE HA 1 24 HIS HD2 . . 5.500 4.918 4.384 5.429 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE HA 1 41 VAL MG1 . . 5.500 5.016 4.886 5.129 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE HB 1 23 ILE MD . . 3.520 2.399 2.318 2.483 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE HB 1 29 GLY QA . . 5.340 4.856 4.598 4.978 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE HB 1 30 TYR HA . . 4.430 3.889 3.575 4.036 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE HB 1 30 TYR QD . . 4.790 4.745 4.640 4.817 0.027 16 0 "[ . 1 . 2]" 1
327 1 23 ILE HB 1 42 ALA H . . 4.450 2.401 2.263 2.591 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE HB 1 42 ALA MB . . 3.960 2.132 2.070 2.235 . 0 0 "[ . 1 . 2]" 1
329 1 23 ILE MD 1 23 ILE MG . . 3.540 2.101 2.054 2.158 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE MD 1 29 GLY QA . . 4.650 2.501 2.384 2.575 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE MD 1 30 TYR H . . 5.310 3.737 3.693 3.786 . 0 0 "[ . 1 . 2]" 1
332 1 23 ILE MD 1 30 TYR HA . . 4.110 4.152 4.134 4.167 0.057 5 0 "[ . 1 . 2]" 1
333 1 23 ILE MD 1 30 TYR QB . . 5.080 4.465 4.412 4.548 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE MD 1 31 SER H . . 5.500 5.539 5.513 5.565 0.065 17 0 "[ . 1 . 2]" 1
335 1 23 ILE MD 1 42 ALA MB . . 3.730 2.170 2.119 2.254 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE MD 1 43 CYS HB2 . . 5.250 2.758 2.625 2.962 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE MG 1 24 HIS H . . 4.000 2.727 2.489 3.187 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE MG 1 27 GLU H . . 4.720 3.511 3.440 3.632 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE MG 1 27 GLU HB2 . . 4.210 2.188 2.050 2.341 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE MG 1 27 GLU QB . . 3.470 1.975 1.856 2.038 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE MG 1 27 GLU HB3 . . 4.210 2.265 2.081 2.516 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE MG 1 27 GLU QG . . 3.520 3.540 3.473 3.655 0.135 2 0 "[ . 1 . 2]" 1
343 1 23 ILE MG 1 28 PRO QB . . 5.270 4.727 4.642 4.814 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE MG 1 29 GLY H . . 4.230 4.189 4.043 4.248 0.018 3 0 "[ . 1 . 2]" 1
345 1 23 ILE MG 1 29 GLY QA . . 4.420 3.352 3.167 3.482 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE MG 1 30 TYR H . . 3.870 2.497 2.406 2.559 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE MG 1 30 TYR HA . . 3.830 2.664 2.434 3.009 . 0 0 "[ . 1 . 2]" 1
348 1 23 ILE MG 1 30 TYR HB2 . . 4.030 2.307 2.167 2.419 . 0 0 "[ . 1 . 2]" 1
349 1 23 ILE MG 1 30 TYR QB . . 3.370 2.276 2.145 2.378 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE MG 1 30 TYR HB3 . . 4.030 3.482 3.427 3.530 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE MG 1 30 TYR QD . . 3.980 3.416 3.171 3.749 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE MG 1 31 SER H . . 4.630 4.615 4.559 4.669 0.039 4 0 "[ . 1 . 2]" 1
353 1 24 HIS H 1 24 HIS QB . . 3.380 2.408 2.317 2.474 . 0 0 "[ . 1 . 2]" 1
354 1 24 HIS H 1 24 HIS HD2 . . 4.440 3.903 3.444 4.322 . 0 0 "[ . 1 . 2]" 1
355 1 24 HIS H 1 27 GLU H . . 5.480 4.299 4.104 4.815 . 0 0 "[ . 1 . 2]" 1
356 1 24 HIS H 1 27 GLU QB . . 3.960 2.757 2.530 3.296 . 0 0 "[ . 1 . 2]" 1
357 1 24 HIS H 1 27 GLU HG2 . . 4.880 4.134 3.386 4.917 0.037 4 0 "[ . 1 . 2]" 1
358 1 24 HIS H 1 27 GLU HG3 . . 4.880 3.818 2.922 4.949 0.069 9 0 "[ . 1 . 2]" 1
359 1 24 HIS H 1 41 VAL MG1 . . 5.500 5.316 5.172 5.432 . 0 0 "[ . 1 . 2]" 1
360 1 24 HIS HA 1 24 HIS HD2 . . 5.190 2.314 2.231 2.436 . 0 0 "[ . 1 . 2]" 1
361 1 24 HIS HA 1 25 GLU H . . 3.330 2.471 2.388 2.532 . 0 0 "[ . 1 . 2]" 1
362 1 24 HIS HA 1 30 TYR QD . . 5.050 3.197 2.930 3.774 . 0 0 "[ . 1 . 2]" 1
363 1 24 HIS HA 1 41 VAL MG1 . . 5.500 4.350 4.218 4.522 . 0 0 "[ . 1 . 2]" 1
364 1 24 HIS HA 1 41 VAL MG2 . . 5.230 4.443 4.314 4.603 . 0 0 "[ . 1 . 2]" 1
365 1 24 HIS HA 1 42 ALA H . . 5.180 4.825 4.675 5.096 . 0 0 "[ . 1 . 2]" 1
366 1 24 HIS QB 1 25 GLU H . . 3.950 2.261 2.220 2.309 . 0 0 "[ . 1 . 2]" 1
367 1 24 HIS HD2 1 41 VAL MG1 . . 4.550 3.265 3.021 3.606 . 0 0 "[ . 1 . 2]" 1
368 1 24 HIS HD2 1 41 VAL MG2 . . 4.500 3.541 3.316 3.925 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU H 1 25 GLU HB2 . . 3.760 2.977 2.305 3.611 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU H 1 25 GLU QB . . 3.280 2.413 2.158 2.782 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU H 1 25 GLU HB3 . . 3.760 2.689 2.410 3.598 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU H 1 25 GLU QG . . 4.420 2.886 1.939 4.002 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU H 1 26 GLY H . . 4.880 4.619 4.575 4.655 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU H 1 30 TYR QB . . 5.340 4.600 4.422 4.783 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU H 1 30 TYR QD . . 4.680 3.615 3.264 4.064 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU HA 1 25 GLU QG . . 3.720 2.905 2.384 3.483 . 0 0 "[ . 1 . 2]" 1
377 1 25 GLU HA 1 26 GLY H . . 3.220 2.149 2.128 2.193 . 0 0 "[ . 1 . 2]" 1
378 1 25 GLU HA 1 30 TYR H . . 5.500 5.556 5.517 5.583 0.083 13 0 "[ . 1 . 2]" 1
379 1 25 GLU HA 1 30 TYR QD . . 4.150 3.058 2.990 3.096 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLU QB 1 30 TYR QD . . 4.360 3.943 3.712 4.342 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLU HB2 1 30 TYR QD . . 5.210 4.512 4.088 5.299 0.089 6 0 "[ . 1 . 2]" 1
382 1 25 GLU HB3 1 30 TYR QD . . 5.210 4.606 3.941 5.238 0.028 17 0 "[ . 1 . 2]" 1
383 1 25 GLU QG 1 26 GLY H . . 4.570 3.660 2.715 4.582 0.012 12 0 "[ . 1 . 2]" 1
384 1 25 GLU QG 1 30 TYR QD . . 4.790 4.270 3.346 4.885 0.095 10 0 "[ . 1 . 2]" 1
385 1 26 GLY H 1 30 TYR HB2 . . 4.620 3.887 3.592 4.139 . 0 0 "[ . 1 . 2]" 1
386 1 26 GLY H 1 30 TYR QB . . 4.030 3.252 3.015 3.482 . 0 0 "[ . 1 . 2]" 1
387 1 26 GLY H 1 30 TYR HB3 . . 4.620 3.488 3.239 3.746 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLY H 1 30 TYR QD . . 4.860 3.630 3.464 3.815 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLU H 1 27 GLU QB . . 3.680 2.247 2.173 2.304 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLU H 1 27 GLU HG2 . . 4.580 3.574 2.839 4.347 . 0 0 "[ . 1 . 2]" 1
391 1 27 GLU H 1 27 GLU QG . . 3.840 3.195 2.775 3.835 . 0 0 "[ . 1 . 2]" 1
392 1 27 GLU H 1 27 GLU HG3 . . 4.580 3.850 2.999 4.382 . 0 0 "[ . 1 . 2]" 1
393 1 27 GLU H 1 30 TYR QB . . 3.720 3.468 3.296 3.591 . 0 0 "[ . 1 . 2]" 1
394 1 27 GLU HA 1 27 GLU HG2 . . 4.070 2.916 2.258 3.649 . 0 0 "[ . 1 . 2]" 1
395 1 27 GLU HA 1 27 GLU QG . . 3.540 2.496 2.219 2.783 . 0 0 "[ . 1 . 2]" 1
396 1 27 GLU HA 1 27 GLU HG3 . . 4.070 3.177 2.329 3.732 . 0 0 "[ . 1 . 2]" 1
397 1 28 PRO HA 1 29 GLY H . . 3.160 2.137 2.112 2.158 . 0 0 "[ . 1 . 2]" 1
398 1 28 PRO HA 1 30 TYR H . . 4.720 3.652 3.605 3.708 . 0 0 "[ . 1 . 2]" 1
399 1 28 PRO QB 1 29 GLY H . . 3.970 3.326 3.235 3.387 . 0 0 "[ . 1 . 2]" 1
400 1 28 PRO QB 1 30 TYR H . . 5.340 4.946 4.882 4.992 . 0 0 "[ . 1 . 2]" 1
401 1 28 PRO HB2 1 29 GLY H . . 4.550 3.556 3.443 3.635 . 0 0 "[ . 1 . 2]" 1
402 1 28 PRO HB3 1 29 GLY H . . 4.550 4.002 3.929 4.049 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLY H 1 30 TYR H . . 3.920 2.640 2.573 2.716 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLY H 1 34 LEU HB2 . . 5.500 4.691 4.595 4.824 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLY QA 1 34 LEU MD2 . . 5.020 2.457 2.203 2.599 . 0 0 "[ . 1 . 2]" 1
406 1 30 TYR H 1 30 TYR HB2 . . 3.680 2.531 2.496 2.589 . 0 0 "[ . 1 . 2]" 1
407 1 30 TYR H 1 30 TYR QB . . 3.190 2.125 2.105 2.151 . 0 0 "[ . 1 . 2]" 1
408 1 30 TYR H 1 30 TYR HB3 . . 3.680 2.283 2.254 2.338 . 0 0 "[ . 1 . 2]" 1
409 1 30 TYR H 1 30 TYR QD . . 5.000 4.120 4.101 4.156 . 0 0 "[ . 1 . 2]" 1
410 1 30 TYR HA 1 30 TYR QD . . 3.890 2.898 2.831 2.973 . 0 0 "[ . 1 . 2]" 1
411 1 30 TYR HA 1 42 ALA MB . . 4.180 2.397 2.295 2.477 . 0 0 "[ . 1 . 2]" 1
412 1 30 TYR QD 1 31 SER H . . 4.650 3.640 3.521 3.735 . 0 0 "[ . 1 . 2]" 1
413 1 30 TYR QD 1 31 SER HA . . 4.100 3.431 3.312 3.499 . 0 0 "[ . 1 . 2]" 1
414 1 30 TYR QD 1 32 ALA H . . 5.500 5.535 5.515 5.552 0.052 16 0 "[ . 1 . 2]" 1
415 1 30 TYR QD 1 41 VAL HA . . 4.990 3.668 3.407 3.793 . 0 0 "[ . 1 . 2]" 1
416 1 30 TYR QD 1 41 VAL MG1 . . 5.500 5.133 4.911 5.306 . 0 0 "[ . 1 . 2]" 1
417 1 30 TYR QD 1 42 ALA H . . 4.470 4.175 3.983 4.470 . 0 0 "[ . 1 . 2]" 1
418 1 30 TYR QD 1 42 ALA MB . . 4.130 4.191 4.142 4.228 0.098 20 0 "[ . 1 . 2]" 1
419 1 31 SER H 1 32 ALA H . . 5.500 4.654 4.634 4.671 . 0 0 "[ . 1 . 2]" 1
420 1 31 SER H 1 33 LYS QG . . 5.500 4.908 3.672 5.553 0.053 3 0 "[ . 1 . 2]" 1
421 1 31 SER H 1 34 LEU H . . 5.500 4.631 4.514 4.757 . 0 0 "[ . 1 . 2]" 1
422 1 31 SER H 1 34 LEU HB2 . . 5.500 4.049 3.967 4.130 . 0 0 "[ . 1 . 2]" 1
423 1 31 SER H 1 34 LEU MD2 . . 4.820 4.773 4.578 4.848 0.028 16 0 "[ . 1 . 2]" 1
424 1 31 SER H 1 34 LEU HG . . 5.500 5.536 5.511 5.576 0.076 8 0 "[ . 1 . 2]" 1
425 1 31 SER H 1 42 ALA MB . . 4.840 4.452 4.320 4.546 . 0 0 "[ . 1 . 2]" 1
426 1 31 SER HA 1 32 ALA H . . 3.280 2.278 2.236 2.357 . 0 0 "[ . 1 . 2]" 1
427 1 31 SER HA 1 33 LYS H . . 5.220 4.059 3.925 4.245 . 0 0 "[ . 1 . 2]" 1
428 1 31 SER QB 1 32 ALA H . . 4.400 2.887 2.607 3.348 . 0 0 "[ . 1 . 2]" 1
429 1 31 SER QB 1 33 LYS H . . 4.290 2.425 2.221 2.722 . 0 0 "[ . 1 . 2]" 1
430 1 31 SER QB 1 33 LYS QB . . 4.390 2.962 2.513 3.584 . 0 0 "[ . 1 . 2]" 1
431 1 31 SER QB 1 33 LYS QG . . 3.440 2.425 1.966 2.935 . 0 0 "[ . 1 . 2]" 1
432 1 31 SER QB 1 34 LEU H . . 4.490 3.614 3.382 4.150 . 0 0 "[ . 1 . 2]" 1
433 1 31 SER HB2 1 33 LYS H . . 4.900 3.582 2.484 4.237 . 0 0 "[ . 1 . 2]" 1
434 1 31 SER HB2 1 33 LYS QG . . 4.060 3.360 2.163 4.089 0.029 3 0 "[ . 1 . 2]" 1
435 1 31 SER HB2 1 34 LEU MD2 . . 5.210 4.640 3.972 5.304 0.094 15 0 "[ . 1 . 2]" 1
436 1 31 SER HB3 1 33 LYS H . . 4.900 2.547 2.233 4.024 . 0 0 "[ . 1 . 2]" 1
437 1 31 SER HB3 1 33 LYS QG . . 4.060 2.588 2.074 4.039 . 0 0 "[ . 1 . 2]" 1
438 1 31 SER HB3 1 34 LEU MD2 . . 5.210 4.925 4.087 5.285 0.075 7 0 "[ . 1 . 2]" 1
439 1 32 ALA H 1 32 ALA MB . . 3.260 2.184 2.166 2.205 . 0 0 "[ . 1 . 2]" 1
440 1 32 ALA H 1 33 LYS H . . 4.120 2.841 2.768 2.895 . 0 0 "[ . 1 . 2]" 1
441 1 32 ALA HA 1 34 LEU H . . 5.050 3.670 3.597 3.732 . 0 0 "[ . 1 . 2]" 1
442 1 32 ALA HA 1 35 ASP H . . 5.010 3.218 3.077 3.371 . 0 0 "[ . 1 . 2]" 1
443 1 32 ALA HA 1 35 ASP HB3 . . 4.160 3.256 3.017 3.413 . 0 0 "[ . 1 . 2]" 1
444 1 32 ALA MB 1 33 LYS H . . 3.850 2.943 2.829 3.077 . 0 0 "[ . 1 . 2]" 1
445 1 32 ALA MB 1 34 LEU H . . 5.500 4.488 4.440 4.544 . 0 0 "[ . 1 . 2]" 1
446 1 32 ALA MB 1 35 ASP HB3 . . 5.500 4.694 4.504 4.861 . 0 0 "[ . 1 . 2]" 1
447 1 32 ALA MB 1 38 HIS HD2 . . 5.170 3.427 3.024 4.498 . 0 0 "[ . 1 . 2]" 1
448 1 32 ALA MB 1 38 HIS HE1 . . 5.310 3.984 3.653 5.031 . 0 0 "[ . 1 . 2]" 1
449 1 33 LYS H 1 33 LYS QB . . 3.460 2.471 2.351 2.595 . 0 0 "[ . 1 . 2]" 1
450 1 33 LYS H 1 33 LYS QG . . 3.950 2.213 1.992 2.666 . 0 0 "[ . 1 . 2]" 1
451 1 33 LYS H 1 34 LEU H . . 3.850 2.814 2.687 2.896 . 0 0 "[ . 1 . 2]" 1
452 1 33 LYS H 1 35 ASP H . . 4.990 4.313 4.208 4.440 . 0 0 "[ . 1 . 2]" 1
453 1 33 LYS HA 1 34 LEU MD2 . . 5.500 4.524 4.333 4.683 . 0 0 "[ . 1 . 2]" 1
454 1 33 LYS HA 1 35 ASP H . . 5.500 5.145 5.060 5.277 . 0 0 "[ . 1 . 2]" 1
455 1 33 LYS QB 1 34 LEU H . . 4.060 3.226 2.842 3.734 . 0 0 "[ . 1 . 2]" 1
456 1 33 LYS QB 1 34 LEU MD1 . . 5.240 5.058 4.657 5.313 0.073 12 0 "[ . 1 . 2]" 1
457 1 34 LEU H 1 34 LEU HB2 . . 3.180 2.284 2.257 2.336 . 0 0 "[ . 1 . 2]" 1
458 1 34 LEU H 1 34 LEU MD1 . . 4.810 4.325 4.259 4.388 . 0 0 "[ . 1 . 2]" 1
459 1 34 LEU H 1 34 LEU MD2 . . 4.250 3.278 3.118 3.451 . 0 0 "[ . 1 . 2]" 1
460 1 34 LEU H 1 35 ASP H . . 3.440 2.083 2.003 2.141 . 0 0 "[ . 1 . 2]" 1
461 1 34 LEU H 1 42 ALA MB . . 4.950 4.990 4.833 5.036 0.086 14 0 "[ . 1 . 2]" 1
462 1 34 LEU HA 1 34 LEU MD1 . . 3.400 2.155 2.075 2.265 . 0 0 "[ . 1 . 2]" 1
463 1 34 LEU HA 1 34 LEU MD2 . . 4.580 2.412 2.320 2.573 . 0 0 "[ . 1 . 2]" 1
464 1 34 LEU HB2 1 34 LEU MD1 . . 3.330 3.231 3.224 3.240 . 0 0 "[ . 1 . 2]" 1
465 1 34 LEU HB2 1 34 LEU MD2 . . 3.460 2.307 2.259 2.342 . 0 0 "[ . 1 . 2]" 1
466 1 34 LEU HB2 1 35 ASP H . . 4.290 2.876 2.717 2.983 . 0 0 "[ . 1 . 2]" 1
467 1 34 LEU HB3 1 34 LEU MD1 . . 3.600 2.350 2.303 2.419 . 0 0 "[ . 1 . 2]" 1
468 1 34 LEU HB3 1 34 LEU MD2 . . 3.610 3.203 3.192 3.215 . 0 0 "[ . 1 . 2]" 1
469 1 34 LEU HB3 1 35 ASP H . . 5.500 2.887 2.706 3.016 . 0 0 "[ . 1 . 2]" 1
470 1 34 LEU HB3 1 43 CYS H . . 5.440 5.071 4.789 5.288 . 0 0 "[ . 1 . 2]" 1
471 1 34 LEU MD1 1 42 ALA MB . . 5.060 3.983 3.701 4.324 . 0 0 "[ . 1 . 2]" 1
472 1 34 LEU MD1 1 43 CYS H . . 5.500 5.058 4.637 5.370 . 0 0 "[ . 1 . 2]" 1
473 1 35 ASP H 1 35 ASP HB2 . . 4.040 2.588 2.439 2.698 . 0 0 "[ . 1 . 2]" 1
474 1 35 ASP H 1 35 ASP HB3 . . 3.780 2.521 2.433 2.604 . 0 0 "[ . 1 . 2]" 1
475 1 35 ASP H 1 36 ARG H . . 5.450 4.128 4.064 4.215 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASP H 1 42 ALA MB . . 4.870 3.850 3.703 3.959 . 0 0 "[ . 1 . 2]" 1
477 1 35 ASP HA 1 36 ARG H . . 3.560 2.231 2.190 2.273 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASP HA 1 42 ALA MB . . 4.940 4.012 3.805 4.166 . 0 0 "[ . 1 . 2]" 1
479 1 35 ASP HB2 1 42 ALA HA . . 4.400 3.031 2.604 3.252 . 0 0 "[ . 1 . 2]" 1
480 1 35 ASP HB2 1 42 ALA MB . . 3.780 2.224 2.075 2.512 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASP HB3 1 42 ALA MB . . 4.700 3.510 3.364 3.638 . 0 0 "[ . 1 . 2]" 1
482 1 36 ARG H 1 36 ARG QB . . 3.420 2.401 2.080 2.779 . 0 0 "[ . 1 . 2]" 1
483 1 36 ARG H 1 36 ARG QD . . 5.500 3.772 2.158 4.522 . 0 0 "[ . 1 . 2]" 1
484 1 36 ARG H 1 36 ARG QG . . 3.730 2.471 1.929 3.883 0.153 18 0 "[ . 1 . 2]" 1
485 1 36 ARG H 1 37 ASP H . . 4.020 2.946 2.850 3.044 . 0 0 "[ . 1 . 2]" 1
486 1 36 ARG HA 1 36 ARG QG . . 3.930 3.340 2.648 3.552 . 0 0 "[ . 1 . 2]" 1
487 1 36 ARG HA 1 38 HIS H . . 5.500 3.942 3.793 4.035 . 0 0 "[ . 1 . 2]" 1
488 1 36 ARG QB 1 36 ARG HE . . 4.980 3.105 2.201 4.150 . 0 0 "[ . 1 . 2]" 1
489 1 36 ARG QB 1 37 ASP H . . 4.240 3.348 2.381 3.644 . 0 0 "[ . 1 . 2]" 1
490 1 36 ARG QG 1 37 ASP H . . 3.540 2.598 2.090 3.652 0.112 19 0 "[ . 1 . 2]" 1
491 1 37 ASP H 1 38 HIS H . . 4.000 2.544 2.439 2.734 . 0 0 "[ . 1 . 2]" 1
492 1 38 HIS H 1 39 ASP H . . 4.320 3.211 3.130 3.272 . 0 0 "[ . 1 . 2]" 1
493 1 39 ASP H 1 40 GLY H . . 3.680 2.742 2.665 2.884 . 0 0 "[ . 1 . 2]" 1
494 1 39 ASP H 1 41 VAL H . . 4.690 3.528 3.430 3.784 . 0 0 "[ . 1 . 2]" 1
495 1 40 GLY H 1 41 VAL H . . 3.650 2.582 2.408 2.634 . 0 0 "[ . 1 . 2]" 1
496 1 41 VAL H 1 41 VAL HB . . 3.730 2.967 2.919 3.008 . 0 0 "[ . 1 . 2]" 1
497 1 41 VAL H 1 41 VAL MG1 . . 4.670 4.009 3.992 4.031 . 0 0 "[ . 1 . 2]" 1
498 1 41 VAL H 1 41 VAL MG2 . . 3.820 2.844 2.801 2.921 . 0 0 "[ . 1 . 2]" 1
499 1 41 VAL HA 1 41 VAL MG1 . . 3.710 2.277 2.248 2.308 . 0 0 "[ . 1 . 2]" 1
500 1 41 VAL HA 1 42 ALA H . . 3.300 2.164 2.104 2.368 . 0 0 "[ . 1 . 2]" 1
501 1 41 VAL HA 1 42 ALA MB . . 5.200 3.958 3.888 4.050 . 0 0 "[ . 1 . 2]" 1
502 1 41 VAL HB 1 42 ALA H . . 4.490 4.081 3.705 4.240 . 0 0 "[ . 1 . 2]" 1
503 1 41 VAL MG1 1 42 ALA H . . 3.900 2.685 2.217 2.906 . 0 0 "[ . 1 . 2]" 1
504 1 41 VAL MG1 1 42 ALA HA . . 5.480 3.919 3.781 4.014 . 0 0 "[ . 1 . 2]" 1
505 1 41 VAL MG1 1 42 ALA MB . . 5.410 4.189 4.037 4.297 . 0 0 "[ . 1 . 2]" 1
506 1 41 VAL MG1 1 43 CYS H . . 5.500 4.759 4.672 4.847 . 0 0 "[ . 1 . 2]" 1
507 1 41 VAL MG1 1 44 GLU H . . 5.350 3.472 3.308 3.707 . 0 0 "[ . 1 . 2]" 1
508 1 41 VAL MG1 1 44 GLU HB2 . . 4.340 3.318 3.154 3.404 . 0 0 "[ . 1 . 2]" 1
509 1 41 VAL MG1 1 44 GLU HB3 . . 4.840 2.147 2.075 2.189 . 0 0 "[ . 1 . 2]" 1
510 1 41 VAL MG2 1 42 ALA H . . 5.050 4.245 4.167 4.276 . 0 0 "[ . 1 . 2]" 1
511 1 41 VAL MG2 1 42 ALA HA . . 5.500 5.575 5.475 5.602 0.102 12 0 "[ . 1 . 2]" 1
512 1 42 ALA H 1 42 ALA MB . . 3.620 2.414 2.315 2.655 . 0 0 "[ . 1 . 2]" 1
513 1 42 ALA HA 1 43 CYS H . . 3.050 2.146 2.119 2.191 . 0 0 "[ . 1 . 2]" 1
514 1 42 ALA MB 1 43 CYS H . . 4.070 2.811 2.682 2.902 . 0 0 "[ . 1 . 2]" 1
515 1 42 ALA MB 1 43 CYS HB2 . . 5.250 4.177 4.050 4.237 . 0 0 "[ . 1 . 2]" 1
516 1 42 ALA MB 1 43 CYS HB3 . . 5.150 5.049 4.950 5.104 . 0 0 "[ . 1 . 2]" 1
517 1 43 CYS H 1 44 GLU H . . 4.360 2.885 2.789 2.971 . 0 0 "[ . 1 . 2]" 1
518 1 44 GLU H 1 44 GLU HB2 . . 3.660 3.576 3.556 3.598 . 0 0 "[ . 1 . 2]" 1
519 1 44 GLU H 1 44 GLU HB3 . . 3.920 2.706 2.553 2.793 . 0 0 "[ . 1 . 2]" 1
520 1 44 GLU H 1 44 GLU QG . . 4.510 2.511 2.158 2.662 . 0 0 "[ . 1 . 2]" 1
521 1 44 GLU H 1 45 LEU H . . 5.380 4.686 4.626 4.725 . 0 0 "[ . 1 . 2]" 1
522 1 44 GLU HA 1 45 LEU H . . 3.220 2.225 2.144 2.320 . 0 0 "[ . 1 . 2]" 1
523 1 44 GLU HB2 1 45 LEU H . . 4.030 2.942 2.708 3.268 . 0 0 "[ . 1 . 2]" 1
524 1 44 GLU HB2 1 46 LYS H . . 3.870 3.374 2.545 3.964 0.094 3 0 "[ . 1 . 2]" 1
525 1 44 GLU HB3 1 45 LEU H . . 5.130 3.901 3.794 4.022 . 0 0 "[ . 1 . 2]" 1
526 1 45 LEU H 1 45 LEU HB2 . . 3.940 2.581 2.263 2.995 . 0 0 "[ . 1 . 2]" 1
527 1 45 LEU H 1 45 LEU QB . . 3.450 2.483 2.233 2.636 . 0 0 "[ . 1 . 2]" 1
528 1 45 LEU H 1 45 LEU HB3 . . 3.940 3.518 2.859 3.757 . 0 0 "[ . 1 . 2]" 1
529 1 45 LEU H 1 45 LEU MD1 . . 5.400 4.053 2.853 4.567 . 0 0 "[ . 1 . 2]" 1
530 1 45 LEU H 1 45 LEU QD . . 4.760 3.573 2.704 4.047 . 0 0 "[ . 1 . 2]" 1
531 1 45 LEU H 1 45 LEU MD2 . . 5.400 4.177 2.740 4.665 . 0 0 "[ . 1 . 2]" 1
532 1 45 LEU H 1 45 LEU HG . . 4.940 3.904 3.089 4.729 . 0 0 "[ . 1 . 2]" 1
533 1 45 LEU H 1 46 LYS H . . 4.010 2.268 1.869 2.631 . 0 0 "[ . 1 . 2]" 1
534 1 45 LEU H 1 46 LYS QG . . 5.500 3.955 2.658 5.576 0.076 6 0 "[ . 1 . 2]" 1
535 1 45 LEU HA 1 45 LEU MD1 . . 4.340 3.268 2.145 3.859 . 0 0 "[ . 1 . 2]" 1
536 1 45 LEU HA 1 45 LEU QD . . 3.620 2.250 1.983 2.951 . 0 0 "[ . 1 . 2]" 1
537 1 45 LEU HA 1 45 LEU MD2 . . 4.340 2.706 2.079 3.891 . 0 0 "[ . 1 . 2]" 1
538 1 45 LEU HA 1 45 LEU HG . . 3.830 2.896 2.264 3.764 . 0 0 "[ . 1 . 2]" 1
539 1 45 LEU HA 1 47 ASN H . . 5.500 4.735 3.715 5.590 0.090 10 0 "[ . 1 . 2]" 1
540 1 45 LEU HB2 1 46 LYS H . . 4.520 3.592 2.807 4.540 0.020 5 0 "[ . 1 . 2]" 1
541 1 45 LEU HB3 1 46 LYS H . . 4.520 3.859 3.123 4.411 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU QD 1 46 LYS H . . 4.690 4.313 4.000 4.521 . 0 0 "[ . 1 . 2]" 1
543 1 45 LEU MD1 1 46 LYS H . . 5.500 4.970 4.260 5.577 0.077 1 0 "[ . 1 . 2]" 1
544 1 45 LEU MD2 1 46 LYS H . . 5.500 4.831 4.432 5.524 0.024 5 0 "[ . 1 . 2]" 1
545 1 46 LYS H 1 46 LYS QD . . 4.020 3.548 2.009 4.123 0.103 19 0 "[ . 1 . 2]" 1
546 1 46 LYS H 1 46 LYS QG . . 4.180 2.715 2.066 4.013 . 0 0 "[ . 1 . 2]" 1
547 1 46 LYS H 1 47 ASN H . . 4.580 3.496 1.926 4.504 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS HA 1 46 LYS QD . . 4.200 2.842 2.124 4.245 0.045 8 0 "[ . 1 . 2]" 1
549 1 46 LYS HA 1 46 LYS QG . . 3.780 2.999 2.321 3.522 . 0 0 "[ . 1 . 2]" 1
550 1 46 LYS QB 1 47 ASN H . . 4.340 3.559 2.588 4.051 . 0 0 "[ . 1 . 2]" 1
551 1 46 LYS QD 1 47 ASN H . . 4.730 4.177 3.226 4.846 0.116 3 0 "[ . 1 . 2]" 1
552 1 46 LYS QG 1 47 ASN H . . 5.300 4.300 2.659 4.897 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 6:04:07 PM GMT (wattos1)