NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647381 |
6y1h   |
34490 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6y1h
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 490
_Distance_constraint_stats_list.Viol_count 820
_Distance_constraint_stats_list.Viol_total 2032.494
_Distance_constraint_stats_list.Viol_max 1.685
_Distance_constraint_stats_list.Viol_rms 0.1299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0415
_Distance_constraint_stats_list.Viol_average_violations_only 0.2479
_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 LEU 0.000 0.000 . 0 "[ . 1]"
1 3 THR 0.188 0.103 8 0 "[ . 1]"
1 4 LYS 0.321 0.103 8 0 "[ . 1]"
1 5 GLN 0.044 0.044 6 0 "[ . 1]"
1 6 LYS 0.169 0.169 5 0 "[ . 1]"
1 7 GLU 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 VAL 0.282 0.084 7 0 "[ . 1]"
1 10 ASN 0.992 0.369 1 0 "[ . 1]"
1 11 ASP 1.373 0.369 1 0 "[ . 1]"
1 12 LYS 1.503 0.279 10 0 "[ . 1]"
1 13 GLY 3.469 0.468 10 0 "[ . 1]"
1 14 LYS 0.709 0.229 4 0 "[ . 1]"
1 15 ALA 0.034 0.025 4 0 "[ . 1]"
1 16 ALA 3.803 0.279 10 0 "[ . 1]"
1 17 VAL 10.389 0.468 10 0 "[ . 1]"
1 18 VAL 3.237 0.181 9 0 "[ . 1]"
1 19 LYS 4.710 1.005 4 1 "[ +. 1]"
1 20 VAL 3.689 0.403 2 0 "[ . 1]"
1 21 VAL 1.657 0.296 8 0 "[ . 1]"
1 22 GLU 13.986 1.005 4 5 "[* -+.* * 1]"
1 23 SER 4.127 0.431 6 0 "[ . 1]"
1 24 GLN 5.054 0.514 2 1 "[ + . 1]"
1 25 ALA 4.272 0.533 3 2 "[ + . - 1]"
1 26 GLU 8.522 0.457 4 0 "[ . 1]"
1 27 LEU 11.002 1.064 9 5 "[ - *.** +1]"
1 28 TYR 4.367 0.533 3 2 "[ + . - 1]"
1 29 SER 4.981 1.082 7 2 "[ . +- 1]"
1 30 LEU 5.235 0.478 2 0 "[ . 1]"
1 31 GLU 8.124 1.064 9 5 "[ - *.** +1]"
1 32 LYS 0.920 0.333 6 0 "[ . 1]"
1 33 ASN 2.576 1.082 7 1 "[ . + 1]"
1 34 GLU 5.031 1.051 6 1 "[ .+ 1]"
1 35 ASP 3.270 1.303 10 2 "[ .- +]"
1 36 ALA 13.349 1.294 6 9 [*****+*-*1]
1 37 SER 3.522 0.961 2 1 "[ + . 1]"
1 38 LEU 12.486 1.670 7 4 "[**- . + 1]"
1 39 ARG 16.646 1.628 2 10 [*+*****-**]
1 40 LYS 16.091 0.850 4 9 "[** +***-**]"
1 41 LEU 7.088 1.209 8 2 "[- . + 1]"
1 42 GLN 8.369 0.782 2 2 "[ +- . 1]"
1 43 ALA 11.967 0.588 1 4 "[+ * . -*1]"
1 44 ASP 4.708 0.564 3 1 "[ + . 1]"
1 45 GLY 3.618 0.387 9 0 "[ . 1]"
1 46 ARG 9.591 0.924 3 5 "[ -+ .*** 1]"
1 47 ILE 29.553 0.983 2 7 "[ +**-*** 1]"
1 48 THR 4.237 0.387 9 0 "[ . 1]"
1 49 GLU 4.446 0.578 5 1 "[ + 1]"
1 50 GLU 3.924 0.467 4 0 "[ . 1]"
1 51 GLN 10.078 0.827 2 3 "[ + *- 1]"
1 52 ALA 15.418 0.983 2 6 "[ +**-** 1]"
1 53 LYS 5.534 0.496 9 0 "[ . 1]"
1 54 ALA 0.850 0.171 8 0 "[ . 1]"
1 55 TYR 11.954 0.827 2 3 "[ + *- 1]"
1 56 LYS 5.943 0.428 5 0 "[ . 1]"
1 57 GLU 0.470 0.128 5 0 "[ . 1]"
1 58 TYR 6.180 0.888 3 1 "[ + . 1]"
1 59 HIS 9.100 1.685 6 3 "[- .+ *1]"
1 60 ASP 3.244 0.571 5 3 "[- *+ 1]"
1 61 LYS 7.385 0.888 3 5 "[- +** *1]"
1 62 ASN 8.186 1.685 6 3 "[- .+ *1]"
1 63 GLY 0.835 0.472 2 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 ASN 2.608 1.628 2 1 "[ + . 1]"
1 67 ARG 12.928 0.820 10 5 "[ * -* *+]"
1 68 LYS 9.457 1.294 6 3 "[ - *.+ 1]"
1 69 VAL 14.386 1.150 2 5 "[-+ *. **]"
1 70 ASN 6.203 1.670 7 5 "[* - .*+* 1]"
1 71 ASP 6.779 1.303 10 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 LEU H 1 3 THR MG 4.750 . 4.750 3.989 3.590 4.420 . 0 0 "[ . 1]" 1
2 1 2 LEU HA 1 3 THR H 4.720 . 4.720 2.494 2.147 3.536 . 0 0 "[ . 1]" 1
3 1 2 LEU HA 1 3 THR MG 4.740 . 4.740 3.504 3.126 3.994 . 0 0 "[ . 1]" 1
4 1 2 LEU HB2 1 3 THR H 5.770 . 5.770 3.542 2.202 4.647 . 0 0 "[ . 1]" 1
5 1 2 LEU HB2 1 3 THR MG 5.510 . 5.510 4.866 4.422 5.452 . 0 0 "[ . 1]" 1
6 1 2 LEU MD2 1 3 THR H 6.010 . 6.010 4.525 3.502 5.384 . 0 0 "[ . 1]" 1
7 1 3 THR HA 1 4 LYS H 4.670 . 4.670 2.732 2.353 3.574 . 0 0 "[ . 1]" 1
8 1 3 THR HB 1 4 LYS HB2 5.970 . 5.970 5.545 5.105 6.073 0.103 8 0 "[ . 1]" 1
9 1 4 LYS H 1 4 LYS HG2 4.620 . 4.620 3.986 2.408 4.709 0.089 3 0 "[ . 1]" 1
10 1 4 LYS HA 1 5 GLN H 5.710 . 5.710 2.275 2.141 2.784 . 0 0 "[ . 1]" 1
11 1 4 LYS HA 1 5 GLN HE21 6.010 . 6.010 5.276 4.282 6.054 0.044 6 0 "[ . 1]" 1
12 1 4 LYS HA 1 5 GLN HG3 5.870 . 5.870 4.757 3.563 5.836 . 0 0 "[ . 1]" 1
13 1 5 GLN HA 1 6 LYS H 4.450 . 4.450 2.528 2.170 3.375 . 0 0 "[ . 1]" 1
14 1 5 GLN HG2 1 6 LYS H 5.860 . 5.860 4.510 3.017 5.693 . 0 0 "[ . 1]" 1
15 1 6 LYS H 1 6 LYS HG2 4.570 . 4.570 3.783 1.921 4.739 0.169 5 0 "[ . 1]" 1
16 1 7 GLU H 1 7 GLU HG3 5.350 . 5.350 3.304 2.282 4.746 . 0 0 "[ . 1]" 1
17 1 7 GLU H 1 8 ALA MB 5.590 . 5.590 4.606 4.314 5.180 . 0 0 "[ . 1]" 1
18 1 7 GLU HA 1 8 ALA H 4.570 . 4.570 2.898 2.190 3.546 . 0 0 "[ . 1]" 1
19 1 7 GLU HA 1 8 ALA MB 4.730 . 4.730 4.109 3.851 4.398 . 0 0 "[ . 1]" 1
20 1 7 GLU HB2 1 8 ALA H 5.460 . 5.460 3.622 2.556 4.310 . 0 0 "[ . 1]" 1
21 1 8 ALA HA 1 9 VAL H 5.960 . 5.960 2.781 2.214 3.538 . 0 0 "[ . 1]" 1
22 1 8 ALA MB 1 9 VAL H 5.170 . 5.170 2.846 1.987 3.664 . 0 0 "[ . 1]" 1
23 1 8 ALA MB 1 9 VAL HA 6.010 . 6.010 4.107 3.677 4.436 . 0 0 "[ . 1]" 1
24 1 9 VAL H 1 9 VAL MG2 4.720 . 4.720 2.192 1.987 2.504 . 0 0 "[ . 1]" 1
25 1 9 VAL HA 1 10 ASN H 5.130 . 5.130 2.929 2.398 3.577 . 0 0 "[ . 1]" 1
26 1 9 VAL HB 1 10 ASN HD22 6.000 . 6.000 5.584 4.214 6.084 0.084 7 0 "[ . 1]" 1
27 1 9 VAL MG1 1 10 ASN H 5.960 . 5.960 3.316 1.882 3.752 . 0 0 "[ . 1]" 1
28 1 10 ASN HA 1 11 ASP H 3.110 . 3.110 2.713 2.143 3.479 0.369 1 0 "[ . 1]" 1
29 1 11 ASP HA 1 12 LYS H 5.620 . 5.620 2.476 2.176 3.457 . 0 0 "[ . 1]" 1
30 1 11 ASP HA 1 12 LYS HB3 5.400 . 5.400 4.971 4.261 5.660 0.260 2 0 "[ . 1]" 1
31 1 11 ASP HB2 1 12 LYS HA 5.990 . 5.990 5.154 4.339 6.008 0.018 6 0 "[ . 1]" 1
32 1 12 LYS HA 1 13 GLY H 5.100 . 5.100 2.662 2.087 3.552 . 0 0 "[ . 1]" 1
33 1 12 LYS HB2 1 16 ALA HA 5.780 . 5.780 5.639 4.240 6.059 0.279 10 0 "[ . 1]" 1
34 1 12 LYS HB3 1 13 GLY H 5.440 . 5.440 3.720 2.428 4.289 . 0 0 "[ . 1]" 1
35 1 13 GLY H 1 14 LYS H 6.010 . 6.010 4.115 3.831 4.446 . 0 0 "[ . 1]" 1
36 1 13 GLY H 1 14 LYS HG2 5.980 . 5.980 5.736 4.919 6.127 0.147 2 0 "[ . 1]" 1
37 1 13 GLY HA2 1 14 LYS H 4.750 . 4.750 3.210 2.408 3.529 . 0 0 "[ . 1]" 1
38 1 13 GLY HA3 1 15 ALA MB 4.760 . 4.760 4.563 4.305 4.725 . 0 0 "[ . 1]" 1
39 1 13 GLY HA3 1 16 ALA MB 5.650 . 5.650 4.343 2.608 4.812 . 0 0 "[ . 1]" 1
40 1 13 GLY HA3 1 17 VAL MG1 6.000 . 6.000 6.305 6.098 6.468 0.468 10 0 "[ . 1]" 1
41 1 13 GLY HA3 1 17 VAL MG2 5.540 . 5.540 4.163 3.939 4.340 . 0 0 "[ . 1]" 1
42 1 14 LYS H 1 14 LYS HG2 4.760 . 4.760 2.293 2.148 3.300 . 0 0 "[ . 1]" 1
43 1 14 LYS HA 1 15 ALA MB 5.540 . 5.540 4.967 4.919 5.012 . 0 0 "[ . 1]" 1
44 1 14 LYS HA 1 17 VAL H 4.940 . 4.940 3.966 3.275 5.169 0.229 4 0 "[ . 1]" 1
45 1 14 LYS HB3 1 15 ALA H 5.310 . 5.310 3.777 3.206 4.101 . 0 0 "[ . 1]" 1
46 1 15 ALA HA 1 19 LYS HB2 5.730 . 5.730 4.940 3.528 5.739 0.009 6 0 "[ . 1]" 1
47 1 15 ALA MB 1 16 ALA H 6.000 . 6.000 2.230 1.775 2.566 0.025 4 0 "[ . 1]" 1
48 1 15 ALA MB 1 18 VAL H 6.010 . 6.010 4.723 4.413 4.933 . 0 0 "[ . 1]" 1
49 1 16 ALA H 1 17 VAL MG2 5.840 . 5.840 4.511 3.813 5.485 . 0 0 "[ . 1]" 1
50 1 16 ALA H 1 19 LYS QD 4.750 . 4.750 4.875 4.393 4.992 0.242 8 0 "[ . 1]" 1
51 1 16 ALA H 1 20 VAL QG 6.010 . 6.010 5.480 5.091 6.077 0.067 6 0 "[ . 1]" 1
52 1 16 ALA HA 1 17 VAL H 5.400 . 5.400 3.481 3.273 3.608 . 0 0 "[ . 1]" 1
53 1 16 ALA HA 1 17 VAL MG1 5.900 . 5.900 6.019 5.958 6.064 0.164 3 0 "[ . 1]" 1
54 1 16 ALA HA 1 20 VAL QG 6.010 . 6.010 4.045 3.333 5.037 . 0 0 "[ . 1]" 1
55 1 16 ALA MB 1 17 VAL H 5.250 . 5.250 2.499 2.051 3.218 . 0 0 "[ . 1]" 1
56 1 16 ALA MB 1 19 LYS H 6.000 . 6.000 4.441 4.280 4.625 . 0 0 "[ . 1]" 1
57 1 17 VAL H 1 18 VAL H . . 5.580 2.695 1.942 2.967 . 0 0 "[ . 1]" 1
58 1 17 VAL H 1 18 VAL MG1 6.000 . 6.000 5.798 5.206 6.011 0.011 4 0 "[ . 1]" 1
59 1 17 VAL H 1 18 VAL MG2 4.760 . 4.760 4.378 3.762 4.572 . 0 0 "[ . 1]" 1
60 1 17 VAL HA 1 18 VAL H 5.820 . 5.820 3.538 3.453 3.612 . 0 0 "[ . 1]" 1
61 1 17 VAL HA 1 18 VAL HB 6.010 . 6.010 5.723 5.649 5.778 . 0 0 "[ . 1]" 1
62 1 17 VAL MG1 1 18 VAL HA 6.010 . 6.010 3.205 2.983 3.574 . 0 0 "[ . 1]" 1
63 1 17 VAL MG1 1 20 VAL H 6.010 . 6.010 4.490 4.434 4.541 . 0 0 "[ . 1]" 1
64 1 17 VAL MG1 1 20 VAL HA 6.010 . 6.010 6.342 6.305 6.413 0.403 2 0 "[ . 1]" 1
65 1 17 VAL MG1 1 51 GLN HG3 6.010 . 6.010 4.728 4.016 6.176 0.166 9 0 "[ . 1]" 1
66 1 17 VAL MG1 1 54 ALA MB 4.670 . 4.670 3.449 1.841 3.984 . 0 0 "[ . 1]" 1
67 1 17 VAL MG1 1 55 TYR HA 6.010 . 6.010 5.505 4.531 5.962 . 0 0 "[ . 1]" 1
68 1 17 VAL MG2 1 18 VAL MG1 6.010 . 6.010 6.170 6.127 6.191 0.181 9 0 "[ . 1]" 1
69 1 17 VAL MG2 1 54 ALA MB 5.350 . 5.350 5.061 3.512 5.521 0.171 8 0 "[ . 1]" 1
70 1 18 VAL HA 1 19 LYS H 4.930 . 4.930 3.479 3.429 3.537 . 0 0 "[ . 1]" 1
71 1 18 VAL HA 1 21 VAL MG2 6.000 . 6.000 2.978 1.934 4.307 . 0 0 "[ . 1]" 1
72 1 18 VAL HA 1 55 TYR HD1 5.830 . 5.830 3.227 2.531 3.751 . 0 0 "[ . 1]" 1
73 1 18 VAL HA 1 55 TYR HE1 5.300 . 5.300 4.741 4.100 5.439 0.139 2 0 "[ . 1]" 1
74 1 18 VAL HB 1 19 LYS HA 4.120 . 4.120 4.232 4.131 4.285 0.165 5 0 "[ . 1]" 1
75 1 18 VAL MG1 1 19 LYS H 5.900 . 5.900 3.261 3.125 3.369 . 0 0 "[ . 1]" 1
76 1 18 VAL MG1 1 21 VAL HA 6.010 . 6.010 5.943 5.777 6.114 0.104 6 0 "[ . 1]" 1
77 1 18 VAL MG1 1 21 VAL MG2 4.780 . 4.780 3.798 2.531 4.534 . 0 0 "[ . 1]" 1
78 1 18 VAL MG1 1 22 GLU H 6.010 . 6.010 3.481 3.265 3.668 . 0 0 "[ . 1]" 1
79 1 18 VAL MG1 1 22 GLU HA 5.950 . 5.950 4.867 4.596 5.262 . 0 0 "[ . 1]" 1
80 1 18 VAL MG1 1 58 TYR H 6.000 . 6.000 5.531 4.522 6.087 0.087 10 0 "[ . 1]" 1
81 1 18 VAL MG2 1 19 LYS H 5.580 . 5.580 3.844 3.739 3.913 . 0 0 "[ . 1]" 1
82 1 19 LYS H 1 19 LYS HG3 5.290 . 5.290 4.189 4.048 4.616 . 0 0 "[ . 1]" 1
83 1 19 LYS H 1 20 VAL H 5.680 . 5.680 2.839 2.764 2.886 . 0 0 "[ . 1]" 1
84 1 19 LYS HB3 1 20 VAL H 5.550 . 5.550 3.313 2.662 3.516 . 0 0 "[ . 1]" 1
85 1 19 LYS QD 1 22 GLU H 4.530 . 4.530 4.703 4.294 5.535 1.005 4 1 "[ +. 1]" 1
86 1 20 VAL H 1 21 VAL MG1 6.010 . 6.010 4.922 3.431 5.784 . 0 0 "[ . 1]" 1
87 1 20 VAL QG 1 21 VAL HB 4.630 . 4.630 3.909 3.164 4.479 . 0 0 "[ . 1]" 1
88 1 20 VAL QG 1 23 SER H 5.560 . 5.560 4.446 4.093 5.065 . 0 0 "[ . 1]" 1
89 1 20 VAL QG 1 23 SER HB3 6.010 . 6.010 4.130 3.276 5.095 . 0 0 "[ . 1]" 1
90 1 20 VAL QG 1 24 GLN H 6.010 . 6.010 4.273 3.406 4.998 . 0 0 "[ . 1]" 1
91 1 20 VAL QG 1 24 GLN HA 6.010 . 6.010 5.442 4.286 6.249 0.239 3 0 "[ . 1]" 1
92 1 20 VAL QG 1 47 ILE MD 5.950 . 5.950 4.815 4.184 5.859 . 0 0 "[ . 1]" 1
93 1 20 VAL QG 1 47 ILE MG 5.080 . 5.080 3.977 3.254 4.973 . 0 0 "[ . 1]" 1
94 1 21 VAL HA 1 22 GLU H 6.000 . 6.000 3.589 3.534 3.623 . 0 0 "[ . 1]" 1
95 1 21 VAL HA 1 47 ILE MG 6.010 . 6.010 3.023 2.498 4.096 . 0 0 "[ . 1]" 1
96 1 21 VAL HB 1 22 GLU HA 5.750 . 5.750 4.759 4.449 5.668 . 0 0 "[ . 1]" 1
97 1 21 VAL HB 1 47 ILE MD 5.630 . 5.630 3.549 2.248 5.106 . 0 0 "[ . 1]" 1
98 1 21 VAL MG1 1 22 GLU H 6.010 . 6.010 3.144 1.958 3.902 . 0 0 "[ . 1]" 1
99 1 21 VAL MG1 1 24 GLN H 6.010 . 6.010 5.272 4.744 6.114 0.104 6 0 "[ . 1]" 1
100 1 21 VAL MG1 1 38 LEU MD2 6.010 . 6.010 2.776 1.789 3.938 0.011 7 0 "[ . 1]" 1
101 1 21 VAL MG1 1 51 GLN H 6.010 . 6.010 6.005 5.471 6.306 0.296 8 0 "[ . 1]" 1
102 1 21 VAL MG1 1 55 TYR QB 6.010 . 6.010 2.468 1.893 3.304 . 0 0 "[ . 1]" 1
103 1 21 VAL MG2 1 22 GLU H 5.840 . 5.840 3.230 1.867 3.938 . 0 0 "[ . 1]" 1
104 1 21 VAL MG2 1 22 GLU HG3 6.010 . 6.010 4.031 2.330 4.965 . 0 0 "[ . 1]" 1
105 1 21 VAL MG2 1 23 SER H 6.010 . 6.010 5.009 3.946 6.006 . 0 0 "[ . 1]" 1
106 1 21 VAL MG2 1 25 ALA MB 5.920 . 5.920 4.440 2.286 5.533 . 0 0 "[ . 1]" 1
107 1 21 VAL MG2 1 38 LEU MD1 6.000 . 6.000 4.563 2.718 5.796 . 0 0 "[ . 1]" 1
108 1 21 VAL MG2 1 38 LEU MD2 . . 5.350 3.348 1.821 4.437 . 0 0 "[ . 1]" 1
109 1 21 VAL MG2 1 41 LEU QD 6.010 . 6.010 4.002 3.003 4.891 . 0 0 "[ . 1]" 1
110 1 21 VAL MG2 1 47 ILE MD 6.000 . 6.000 2.639 1.741 3.584 0.059 6 0 "[ . 1]" 1
111 1 21 VAL MG2 1 47 ILE MG 6.010 . 6.010 3.324 2.224 4.634 . 0 0 "[ . 1]" 1
112 1 21 VAL MG2 1 51 GLN HE22 6.000 . 6.000 3.995 2.474 5.132 . 0 0 "[ . 1]" 1
113 1 21 VAL MG2 1 69 VAL MG1 5.680 . 5.680 4.048 1.912 5.817 0.137 8 0 "[ . 1]" 1
114 1 22 GLU H 1 23 SER H 4.740 . 4.740 2.638 2.443 2.856 . 0 0 "[ . 1]" 1
115 1 22 GLU H 1 23 SER HB2 5.410 . 5.410 4.839 4.560 5.087 . 0 0 "[ . 1]" 1
116 1 22 GLU H 1 25 ALA MB 5.800 . 5.800 4.608 4.237 5.370 . 0 0 "[ . 1]" 1
117 1 22 GLU H 1 55 TYR HD1 5.690 . 5.690 5.141 4.453 5.654 . 0 0 "[ . 1]" 1
118 1 22 GLU H 1 69 VAL MG1 4.990 . 4.990 4.056 3.408 4.622 . 0 0 "[ . 1]" 1
119 1 22 GLU HA 1 23 SER H 5.760 . 5.760 3.541 3.490 3.607 . 0 0 "[ . 1]" 1
120 1 22 GLU HA 1 25 ALA MB 5.780 . 5.780 2.858 2.427 3.538 . 0 0 "[ . 1]" 1
121 1 22 GLU HA 1 26 GLU HB3 4.750 . 4.750 4.919 4.624 5.114 0.364 5 0 "[ . 1]" 1
122 1 22 GLU HA 1 69 VAL MG1 5.650 . 5.650 2.520 1.970 3.049 . 0 0 "[ . 1]" 1
123 1 22 GLU HA 1 70 ASN QB 5.800 . 5.800 6.063 5.112 6.744 0.944 6 4 "[* - .+ * 1]" 1
124 1 22 GLU HB2 1 23 SER H 4.640 . 4.640 2.461 1.827 2.863 . 0 0 "[ . 1]" 1
125 1 22 GLU HB3 1 69 VAL MG1 4.680 . 4.680 3.716 2.058 4.659 . 0 0 "[ . 1]" 1
126 1 22 GLU HG2 1 69 VAL MG1 5.470 . 5.470 2.349 1.848 3.145 . 0 0 "[ . 1]" 1
127 1 22 GLU HG3 1 23 SER HA 5.950 . 5.950 6.324 6.275 6.381 0.431 6 0 "[ . 1]" 1
128 1 22 GLU HG3 1 58 TYR HB2 5.660 . 5.660 5.960 5.884 6.054 0.394 7 0 "[ . 1]" 1
129 1 23 SER H 1 24 GLN H 4.900 . 4.900 3.096 2.544 3.776 . 0 0 "[ . 1]" 1
130 1 23 SER H 1 26 GLU H 5.650 . 5.650 4.531 4.304 4.817 . 0 0 "[ . 1]" 1
131 1 23 SER H 1 69 VAL MG1 5.790 . 5.790 5.302 4.593 5.961 0.171 10 0 "[ . 1]" 1
132 1 23 SER HA 1 24 GLN HB3 5.820 . 5.820 5.774 5.637 5.880 0.060 2 0 "[ . 1]" 1
133 1 23 SER HB3 1 24 GLN HB2 6.010 . 6.010 5.197 4.300 6.068 0.058 8 0 "[ . 1]" 1
134 1 24 GLN H 1 24 GLN HG2 5.610 . 5.610 3.526 2.192 4.530 . 0 0 "[ . 1]" 1
135 1 24 GLN H 1 24 GLN HG3 5.660 . 5.660 4.091 3.373 4.681 . 0 0 "[ . 1]" 1
136 1 24 GLN H 1 25 ALA H 4.740 . 4.740 2.592 2.040 3.560 . 0 0 "[ . 1]" 1
137 1 24 GLN H 1 25 ALA HA 6.000 . 6.000 5.181 4.740 5.913 . 0 0 "[ . 1]" 1
138 1 24 GLN H 1 47 ILE MD 5.990 . 5.990 6.080 5.794 6.333 0.343 10 0 "[ . 1]" 1
139 1 24 GLN HA 1 25 ALA H 5.300 . 5.300 3.446 3.368 3.519 . 0 0 "[ . 1]" 1
140 1 24 GLN HA 1 25 ALA MB 5.730 . 5.730 4.919 4.854 5.018 . 0 0 "[ . 1]" 1
141 1 24 GLN HA 1 27 LEU QB 6.000 . 6.000 3.521 2.943 4.078 . 0 0 "[ . 1]" 1
142 1 24 GLN HB3 1 25 ALA H 5.020 . 5.020 2.880 1.909 3.984 . 0 0 "[ . 1]" 1
143 1 24 GLN HE22 1 46 ARG H 4.720 . 4.720 4.982 4.726 5.234 0.514 2 1 "[ + . 1]" 1
144 1 24 GLN HG2 1 47 ILE MG 6.000 . 6.000 3.770 3.197 4.381 . 0 0 "[ . 1]" 1
145 1 24 GLN HG3 1 47 ILE MD 6.000 . 6.000 5.402 4.526 6.287 0.287 4 0 "[ . 1]" 1
146 1 25 ALA H 1 26 GLU H 5.290 . 5.290 2.616 2.364 2.963 . 0 0 "[ . 1]" 1
147 1 25 ALA H 1 28 TYR QB 6.010 . 6.010 4.912 4.556 5.398 . 0 0 "[ . 1]" 1
148 1 25 ALA H 1 41 LEU QD 6.010 . 6.010 3.622 2.950 4.103 . 0 0 "[ . 1]" 1
149 1 25 ALA H 1 69 VAL MG2 5.280 . 5.280 4.528 3.993 5.561 0.281 2 0 "[ . 1]" 1
150 1 25 ALA HA 1 28 TYR QB 5.910 . 5.910 2.356 1.932 2.996 . 0 0 "[ . 1]" 1
151 1 25 ALA MB 1 26 GLU H . . 4.630 2.595 2.252 3.163 . 0 0 "[ . 1]" 1
152 1 25 ALA MB 1 26 GLU HA 5.930 . 5.930 3.777 3.643 3.889 . 0 0 "[ . 1]" 1
153 1 25 ALA MB 1 28 TYR HA 5.190 . 5.190 5.569 5.355 5.723 0.533 3 2 "[ + . - 1]" 1
154 1 25 ALA MB 1 41 LEU QD 4.690 . 4.690 1.923 1.655 2.241 0.145 6 0 "[ . 1]" 1
155 1 26 GLU H 1 26 GLU HG2 . . 5.760 4.169 3.964 4.332 . 0 0 "[ . 1]" 1
156 1 26 GLU H 1 27 LEU MD2 5.470 . 5.470 5.540 5.280 5.709 0.239 10 0 "[ . 1]" 1
157 1 26 GLU H 1 69 VAL MG2 5.520 . 5.520 4.384 3.500 5.210 . 0 0 "[ . 1]" 1
158 1 26 GLU HA 1 30 LEU HB3 6.010 . 6.010 6.263 6.221 6.324 0.314 3 0 "[ . 1]" 1
159 1 26 GLU HA 1 67 ARG QD 5.990 . 5.990 6.003 5.785 6.447 0.457 4 0 "[ . 1]" 1
160 1 26 GLU HG2 1 27 LEU QB 4.700 . 4.700 4.202 4.098 4.351 . 0 0 "[ . 1]" 1
161 1 26 GLU HG2 1 29 SER HB2 4.760 . 4.760 4.972 4.860 5.201 0.441 1 0 "[ . 1]" 1
162 1 26 GLU HG2 1 30 LEU HB3 4.650 . 4.650 4.574 4.207 4.828 0.178 7 0 "[ . 1]" 1
163 1 26 GLU HG3 1 27 LEU H 5.620 . 5.620 3.989 3.846 4.181 . 0 0 "[ . 1]" 1
164 1 26 GLU HG3 1 27 LEU QB 6.000 . 6.000 5.415 5.286 5.522 . 0 0 "[ . 1]" 1
165 1 27 LEU H 1 28 TYR H 5.480 . 5.480 2.551 2.441 2.658 . 0 0 "[ . 1]" 1
166 1 27 LEU HA 1 27 LEU MD1 4.690 . 4.690 3.195 2.052 3.781 . 0 0 "[ . 1]" 1
167 1 27 LEU HA 1 30 LEU HB3 5.080 . 5.080 1.962 1.859 2.111 . 0 0 "[ . 1]" 1
168 1 27 LEU HA 1 30 LEU MD2 4.440 . 4.440 3.440 3.059 4.298 . 0 0 "[ . 1]" 1
169 1 27 LEU HA 1 31 GLU HB3 5.280 . 5.280 5.460 4.901 5.615 0.335 4 0 "[ . 1]" 1
170 1 27 LEU HA 1 32 LYS QG 6.000 . 6.000 6.015 5.759 6.333 0.333 6 0 "[ . 1]" 1
171 1 27 LEU QB 1 28 TYR QB 4.740 . 4.740 4.536 4.359 4.730 . 0 0 "[ . 1]" 1
172 1 27 LEU QB 1 30 LEU HA 5.140 . 5.140 5.365 5.141 5.618 0.478 2 0 "[ . 1]" 1
173 1 27 LEU QB 1 30 LEU HB2 4.680 . 4.680 4.005 3.663 4.426 . 0 0 "[ . 1]" 1
174 1 27 LEU QB 1 31 GLU HA 4.740 . 4.740 5.240 4.922 5.804 1.064 9 5 "[ - *.** +1]" 1
175 1 28 TYR H 1 28 TYR HD1 5.850 . 5.850 3.548 2.257 4.552 . 0 0 "[ . 1]" 1
176 1 28 TYR QB 1 31 GLU HG3 5.250 . 5.250 4.533 3.986 5.407 0.157 2 0 "[ . 1]" 1
177 1 28 TYR QB 1 32 LYS QG 5.860 . 5.860 2.337 1.867 3.547 . 0 0 "[ . 1]" 1
178 1 28 TYR QB 1 36 ALA MB 5.940 . 5.940 4.924 4.158 5.540 . 0 0 "[ . 1]" 1
179 1 28 TYR QB 1 41 LEU QD 6.010 . 6.010 3.147 2.129 4.083 . 0 0 "[ . 1]" 1
180 1 28 TYR HD1 1 46 ARG HE 6.000 . 6.000 5.089 3.049 6.146 0.146 5 0 "[ . 1]" 1
181 1 29 SER H 1 30 LEU H 6.000 . 6.000 2.735 2.524 3.380 . 0 0 "[ . 1]" 1
182 1 29 SER H 1 32 LYS QB . . 5.040 3.988 3.719 4.242 . 0 0 "[ . 1]" 1
183 1 29 SER H 1 32 LYS QG 5.390 . 5.390 4.012 3.063 4.620 . 0 0 "[ . 1]" 1
184 1 29 SER H 1 33 ASN H 4.720 . 4.720 4.851 4.338 5.802 1.082 7 1 "[ . + 1]" 1
185 1 29 SER H 1 36 ALA MB 6.000 . 6.000 5.876 5.488 6.526 0.526 8 1 "[ . + 1]" 1
186 1 29 SER HA 1 30 LEU H 5.970 . 5.970 3.556 3.460 3.646 . 0 0 "[ . 1]" 1
187 1 29 SER QB 1 30 LEU MD2 6.010 . 6.010 5.615 5.088 5.957 . 0 0 "[ . 1]" 1
188 1 29 SER HB3 1 71 ASP HB3 6.010 . 6.010 4.369 2.661 6.269 0.259 7 0 "[ . 1]" 1
189 1 30 LEU H 1 30 LEU MD2 5.740 . 5.740 4.203 3.889 4.356 . 0 0 "[ . 1]" 1
190 1 30 LEU H 1 30 LEU HG 4.860 . 4.860 4.449 4.330 4.708 . 0 0 "[ . 1]" 1
191 1 30 LEU H 1 31 GLU HA 5.570 . 5.570 5.320 5.008 5.728 0.158 10 0 "[ . 1]" 1
192 1 30 LEU HA 1 30 LEU MD2 4.540 . 4.540 3.557 1.981 3.823 . 0 0 "[ . 1]" 1
193 1 30 LEU HA 1 31 GLU H 6.000 . 6.000 3.507 3.465 3.552 . 0 0 "[ . 1]" 1
194 1 31 GLU H 1 32 LYS H 5.850 . 5.850 3.246 2.915 3.527 . 0 0 "[ . 1]" 1
195 1 31 GLU H 1 32 LYS HA 5.900 . 5.900 5.600 5.360 5.810 . 0 0 "[ . 1]" 1
196 1 31 GLU HB2 1 32 LYS H . . 4.650 2.685 2.199 3.446 . 0 0 "[ . 1]" 1
197 1 31 GLU HG3 1 33 ASN HD21 6.000 . 6.000 5.962 5.019 6.204 0.204 5 0 "[ . 1]" 1
198 1 32 LYS H 1 33 ASN H 5.520 . 5.520 3.318 3.054 3.676 . 0 0 "[ . 1]" 1
199 1 32 LYS HA 1 33 ASN HD21 6.000 . 6.000 4.936 3.885 5.782 . 0 0 "[ . 1]" 1
200 1 32 LYS QB 1 34 GLU H . . 5.930 3.064 2.258 4.501 . 0 0 "[ . 1]" 1
201 1 32 LYS QE 1 34 GLU H 5.720 . 5.720 4.645 3.619 5.729 0.009 8 0 "[ . 1]" 1
202 1 32 LYS HE2 1 70 ASN QD 4.880 . 4.880 4.162 3.318 5.103 0.223 7 0 "[ . 1]" 1
203 1 33 ASN H 1 34 GLU H . . 5.240 3.102 2.284 3.815 . 0 0 "[ . 1]" 1
204 1 33 ASN H 1 34 GLU HB2 6.010 . 6.010 5.399 4.534 6.069 0.059 2 0 "[ . 1]" 1
205 1 33 ASN HA 1 34 GLU H 6.000 . 6.000 3.111 2.138 3.627 . 0 0 "[ . 1]" 1
206 1 33 ASN HB3 1 34 GLU H 6.000 . 6.000 3.813 2.954 4.382 . 0 0 "[ . 1]" 1
207 1 34 GLU H 1 34 GLU HG3 5.100 . 5.100 4.260 2.169 5.029 . 0 0 "[ . 1]" 1
208 1 34 GLU H 1 35 ASP H 5.090 . 5.090 3.422 2.434 4.299 . 0 0 "[ . 1]" 1
209 1 34 GLU H 1 35 ASP HA 4.670 . 4.670 4.738 4.040 5.182 0.512 6 1 "[ .+ 1]" 1
210 1 34 GLU H 1 71 ASP H 6.000 . 6.000 6.283 5.846 7.051 1.051 6 1 "[ .+ 1]" 1
211 1 34 GLU HA 1 35 ASP H 4.530 . 4.530 2.669 2.138 3.542 . 0 0 "[ . 1]" 1
212 1 34 GLU HB2 1 35 ASP H 6.010 . 6.010 3.742 1.961 4.653 . 0 0 "[ . 1]" 1
213 1 35 ASP HA 1 36 ALA H 4.620 . 4.620 3.176 2.213 3.561 . 0 0 "[ . 1]" 1
214 1 35 ASP HA 1 36 ALA MB 6.000 . 6.000 4.511 4.047 4.686 . 0 0 "[ . 1]" 1
215 1 35 ASP QB 1 36 ALA H 4.860 . 4.860 2.786 1.853 3.924 . 0 0 "[ . 1]" 1
216 1 35 ASP QB 1 71 ASP H 5.190 . 5.190 4.819 3.231 6.493 1.303 10 1 "[ . +]" 1
217 1 36 ALA H 1 37 SER H 6.000 . 6.000 4.317 3.485 4.635 . 0 0 "[ . 1]" 1
218 1 36 ALA H 1 41 LEU QD 6.000 . 6.000 5.794 3.826 7.209 1.209 8 2 "[- . + 1]" 1
219 1 36 ALA HA 1 37 SER H 4.720 . 4.720 2.391 1.914 3.304 . 0 0 "[ . 1]" 1
220 1 36 ALA HA 1 39 ARG QG 5.980 . 5.980 6.192 5.400 7.003 1.023 2 5 "[ +* * - *1]" 1
221 1 36 ALA HA 1 67 ARG HB2 4.570 . 4.570 4.568 3.145 5.140 0.570 5 2 "[ -+ 1]" 1
222 1 36 ALA HA 1 67 ARG HG3 6.000 . 6.000 4.552 3.252 6.059 0.059 4 0 "[ . 1]" 1
223 1 36 ALA HA 1 68 LYS QG 4.580 . 4.580 4.687 3.291 5.874 1.294 6 2 "[ -.+ 1]" 1
224 1 36 ALA MB 1 37 SER H 4.720 . 4.720 2.459 1.804 3.615 . 0 0 "[ . 1]" 1
225 1 36 ALA MB 1 66 ASN HB2 6.000 . 6.000 4.274 3.276 4.730 . 0 0 "[ . 1]" 1
226 1 36 ALA MB 1 69 VAL MG2 4.820 . 4.820 4.523 3.494 5.393 0.573 1 1 "[+ . 1]" 1
227 1 37 SER H 1 38 LEU MD2 5.540 . 5.540 5.392 4.604 5.829 0.289 10 0 "[ . 1]" 1
228 1 37 SER H 1 39 ARG H 5.640 . 5.640 4.580 3.348 5.654 0.014 4 0 "[ . 1]" 1
229 1 37 SER H 1 40 LYS H 6.000 . 6.000 4.349 3.197 5.218 . 0 0 "[ . 1]" 1
230 1 37 SER H 1 40 LYS QB 4.760 . 4.760 4.108 3.110 4.772 0.012 5 0 "[ . 1]" 1
231 1 37 SER H 1 41 LEU H 5.770 . 5.770 4.730 3.777 5.983 0.213 5 0 "[ . 1]" 1
232 1 37 SER HA 1 38 LEU H 5.910 . 5.910 2.625 2.113 3.542 . 0 0 "[ . 1]" 1
233 1 37 SER HB2 1 38 LEU H 4.960 . 4.960 3.170 1.828 4.502 . 0 0 "[ . 1]" 1
234 1 37 SER HB3 1 38 LEU MD2 6.010 . 6.010 5.733 4.521 6.418 0.408 3 0 "[ . 1]" 1
235 1 37 SER HB3 1 69 VAL H 6.000 . 6.000 5.279 2.872 6.961 0.961 2 1 "[ + . 1]" 1
236 1 38 LEU H 1 38 LEU MD2 5.020 . 5.020 3.230 1.911 3.777 . 0 0 "[ . 1]" 1
237 1 38 LEU H 1 39 ARG H 5.600 . 5.600 2.908 2.286 3.432 . 0 0 "[ . 1]" 1
238 1 38 LEU H 1 39 ARG QG 4.800 . 4.800 3.658 2.921 4.726 . 0 0 "[ . 1]" 1
239 1 38 LEU H 1 41 LEU HG 5.650 . 5.650 4.310 3.691 5.044 . 0 0 "[ . 1]" 1
240 1 38 LEU H 1 52 ALA MB 6.000 . 6.000 5.389 4.373 6.401 0.401 8 0 "[ . 1]" 1
241 1 38 LEU H 1 55 TYR HD2 5.970 . 5.970 5.214 4.634 5.734 . 0 0 "[ . 1]" 1
242 1 38 LEU H 1 69 VAL HA 6.000 . 6.000 6.237 5.684 7.150 1.150 2 1 "[ + . 1]" 1
243 1 38 LEU H 1 70 ASN QB 6.000 . 6.000 5.472 3.532 7.670 1.670 7 1 "[ . + 1]" 1
244 1 38 LEU HA 1 39 ARG QG 6.000 . 6.000 4.552 4.346 4.858 . 0 0 "[ . 1]" 1
245 1 38 LEU HA 1 41 LEU QD 6.010 . 6.010 2.112 1.902 2.500 . 0 0 "[ . 1]" 1
246 1 38 LEU HA 1 41 LEU HG 6.000 . 6.000 2.245 1.874 2.766 . 0 0 "[ . 1]" 1
247 1 38 LEU HB2 1 39 ARG H 5.180 . 5.180 2.857 1.771 4.254 0.029 4 0 "[ . 1]" 1
248 1 38 LEU HB3 1 39 ARG H 5.390 . 5.390 3.235 2.270 4.553 . 0 0 "[ . 1]" 1
249 1 38 LEU HB3 1 41 LEU QD 5.970 . 5.970 3.728 1.990 4.593 . 0 0 "[ . 1]" 1
250 1 38 LEU MD2 1 39 ARG H 5.700 . 5.700 4.340 4.062 4.897 . 0 0 "[ . 1]" 1
251 1 38 LEU MD2 1 39 ARG HA 6.010 . 6.010 5.140 3.922 5.936 . 0 0 "[ . 1]" 1
252 1 38 LEU MD2 1 39 ARG QG 6.010 . 6.010 4.689 4.113 5.101 . 0 0 "[ . 1]" 1
253 1 38 LEU MD2 1 41 LEU HG 6.010 . 6.010 3.460 2.531 4.595 . 0 0 "[ . 1]" 1
254 1 38 LEU MD2 1 42 GLN HA 6.000 . 6.000 5.375 4.288 6.146 0.146 3 0 "[ . 1]" 1
255 1 38 LEU MD2 1 42 GLN QB 6.010 . 6.010 3.642 2.447 4.797 . 0 0 "[ . 1]" 1
256 1 38 LEU MD2 1 42 GLN HG3 6.010 . 6.010 4.486 3.325 5.415 . 0 0 "[ . 1]" 1
257 1 38 LEU MD2 1 43 ALA H 5.890 . 5.890 6.067 5.390 6.478 0.588 1 2 "[+ - . 1]" 1
258 1 38 LEU MD2 1 47 ILE MD 6.010 . 6.010 1.977 1.785 2.571 0.015 2 0 "[ . 1]" 1
259 1 38 LEU MD2 1 47 ILE MG 6.010 . 6.010 4.068 3.078 4.915 . 0 0 "[ . 1]" 1
260 1 38 LEU MD2 1 55 TYR H 5.740 . 5.740 4.484 3.625 5.639 . 0 0 "[ . 1]" 1
261 1 38 LEU MD2 1 55 TYR HD1 6.010 . 6.010 5.257 4.786 5.627 . 0 0 "[ . 1]" 1
262 1 38 LEU MD2 1 55 TYR HD2 6.010 . 6.010 2.614 1.850 5.176 . 0 0 "[ . 1]" 1
263 1 38 LEU HG 1 39 ARG H 5.860 . 5.860 4.173 3.178 5.544 . 0 0 "[ . 1]" 1
264 1 38 LEU HG 1 41 LEU HG 5.530 . 5.530 5.211 4.585 5.990 0.460 8 0 "[ . 1]" 1
265 1 38 LEU HG 1 42 GLN QB 6.000 . 6.000 5.475 4.716 6.454 0.454 1 0 "[ . 1]" 1
266 1 38 LEU HG 1 52 ALA HA 6.000 . 6.000 4.917 4.386 5.526 . 0 0 "[ . 1]" 1
267 1 38 LEU HG 1 55 TYR QB 6.000 . 6.000 4.143 3.039 5.134 . 0 0 "[ . 1]" 1
268 1 38 LEU HG 1 68 LYS HB3 4.840 . 4.840 4.183 3.365 5.045 0.205 8 0 "[ . 1]" 1
269 1 38 LEU HG 1 68 LYS HD2 4.820 . 4.820 4.879 4.622 5.133 0.313 7 0 "[ . 1]" 1
270 1 38 LEU HG 1 69 VAL MG1 4.680 . 4.680 3.553 2.046 4.896 0.216 2 0 "[ . 1]" 1
271 1 39 ARG H 1 39 ARG HD3 5.950 . 5.950 4.045 2.668 4.460 . 0 0 "[ . 1]" 1
272 1 39 ARG H 1 40 LYS H 5.410 . 5.410 2.695 1.914 3.594 . 0 0 "[ . 1]" 1
273 1 39 ARG H 1 40 LYS HD2 4.600 . 4.600 4.880 4.666 5.450 0.850 4 1 "[ +. 1]" 1
274 1 39 ARG HA 1 40 LYS QB 4.530 . 4.530 5.124 4.992 5.201 0.671 5 9 "[** *+**-**]" 1
275 1 39 ARG QB 1 43 ALA HA 5.900 . 5.900 5.337 5.054 5.576 . 0 0 "[ . 1]" 1
276 1 39 ARG QB 1 66 ASN HA 5.960 . 5.960 5.804 4.423 7.588 1.628 2 1 "[ + . 1]" 1
277 1 39 ARG HD3 1 56 LYS HG3 4.540 . 4.540 4.761 4.616 4.866 0.326 1 0 "[ . 1]" 1
278 1 40 LYS H 1 40 LYS HD3 4.500 . 4.500 2.397 2.148 2.678 . 0 0 "[ . 1]" 1
279 1 40 LYS H 1 40 LYS HG3 4.720 . 4.720 4.080 3.945 4.230 . 0 0 "[ . 1]" 1
280 1 40 LYS H 1 41 LEU H . . 5.260 2.634 2.304 2.800 . 0 0 "[ . 1]" 1
281 1 40 LYS H 1 41 LEU QD 4.670 . 4.670 4.031 3.651 4.573 . 0 0 "[ . 1]" 1
282 1 40 LYS QB 1 41 LEU H 4.640 . 4.640 2.576 2.249 3.201 . 0 0 "[ . 1]" 1
283 1 40 LYS QB 1 41 LEU QD . . 5.660 3.691 2.729 4.547 . 0 0 "[ . 1]" 1
284 1 40 LYS QB 1 43 ALA HA 5.440 . 5.440 5.840 5.647 5.981 0.541 9 2 "[ . -+1]" 1
285 1 40 LYS HD2 1 44 ASP H 5.970 . 5.970 6.128 6.002 6.282 0.312 6 0 "[ . 1]" 1
286 1 40 LYS HD3 1 43 ALA H 5.190 . 5.190 5.366 5.254 5.460 0.270 9 0 "[ . 1]" 1
287 1 41 LEU H 1 41 LEU QD 4.730 . 4.730 2.580 1.871 3.361 . 0 0 "[ . 1]" 1
288 1 41 LEU H 1 42 GLN QB 5.690 . 5.690 4.072 3.431 4.374 . 0 0 "[ . 1]" 1
289 1 41 LEU H 1 47 ILE MG 6.000 . 6.000 6.277 6.010 6.413 0.413 9 0 "[ . 1]" 1
290 1 41 LEU HA 1 42 GLN H 4.670 . 4.670 3.488 3.427 3.530 . 0 0 "[ . 1]" 1
291 1 41 LEU HA 1 46 ARG HB3 5.870 . 5.870 5.641 4.862 6.001 0.131 2 0 "[ . 1]" 1
292 1 41 LEU HA 1 47 ILE QG 6.010 . 6.010 5.226 4.228 5.901 . 0 0 "[ . 1]" 1
293 1 41 LEU HB3 1 42 GLN H 4.780 . 4.780 3.734 3.374 4.090 . 0 0 "[ . 1]" 1
294 1 41 LEU HB3 1 42 GLN HA 5.740 . 5.740 5.394 4.766 5.673 . 0 0 "[ . 1]" 1
295 1 41 LEU QD 1 42 GLN QB 6.010 . 6.010 3.281 2.267 4.736 . 0 0 "[ . 1]" 1
296 1 41 LEU QD 1 42 GLN HG3 6.000 . 6.000 4.359 3.931 4.933 . 0 0 "[ . 1]" 1
297 1 41 LEU QD 1 46 ARG HB3 5.730 . 5.730 3.785 2.875 4.851 . 0 0 "[ . 1]" 1
298 1 41 LEU QD 1 47 ILE MG 5.650 . 5.650 2.389 1.801 3.019 . 0 0 "[ . 1]" 1
299 1 41 LEU HG 1 42 GLN HA 5.400 . 5.400 4.353 3.399 5.597 0.197 5 0 "[ . 1]" 1
300 1 41 LEU HG 1 42 GLN HE21 5.840 . 5.840 4.919 4.377 5.914 0.074 1 0 "[ . 1]" 1
301 1 41 LEU HG 1 47 ILE MG 5.990 . 5.990 4.658 3.736 5.241 . 0 0 "[ . 1]" 1
302 1 42 GLN H 1 42 GLN HE21 4.460 . 4.460 3.610 3.068 4.283 . 0 0 "[ . 1]" 1
303 1 42 GLN H 1 43 ALA MB 4.750 . 4.750 4.219 4.088 4.352 . 0 0 "[ . 1]" 1
304 1 42 GLN H 1 47 ILE MD 4.730 . 4.730 3.850 3.264 4.369 . 0 0 "[ . 1]" 1
305 1 42 GLN HA 1 43 ALA H 5.710 . 5.710 3.527 3.439 3.633 . 0 0 "[ . 1]" 1
306 1 42 GLN HA 1 45 GLY H 5.890 . 5.890 3.077 2.705 3.794 . 0 0 "[ . 1]" 1
307 1 42 GLN HA 1 47 ILE MD 5.980 . 5.980 4.146 3.260 5.044 . 0 0 "[ . 1]" 1
308 1 42 GLN HA 1 47 ILE MG 5.780 . 5.780 4.317 3.497 5.573 . 0 0 "[ . 1]" 1
309 1 42 GLN QB 1 43 ALA H 4.580 . 4.580 2.582 2.371 2.859 . 0 0 "[ . 1]" 1
310 1 42 GLN QB 1 43 ALA HA 4.440 . 4.440 4.056 3.652 4.346 . 0 0 "[ . 1]" 1
311 1 42 GLN HE21 1 49 GLU HA 5.770 . 5.770 4.788 3.328 5.304 . 0 0 "[ . 1]" 1
312 1 42 GLN HE21 1 52 ALA MB 5.930 . 5.930 3.489 2.041 4.253 . 0 0 "[ . 1]" 1
313 1 42 GLN HE22 1 49 GLU HA 5.940 . 5.940 4.631 3.584 5.255 . 0 0 "[ . 1]" 1
314 1 42 GLN HE22 1 52 ALA MB 6.000 . 6.000 3.521 2.284 4.731 . 0 0 "[ . 1]" 1
315 1 42 GLN HG2 1 43 ALA HA 5.900 . 5.900 4.876 3.482 6.250 0.350 1 0 "[ . 1]" 1
316 1 42 GLN HG2 1 47 ILE QG 6.010 . 6.010 3.227 1.842 3.920 . 0 0 "[ . 1]" 1
317 1 42 GLN HG3 1 43 ALA H 4.680 . 4.680 4.618 4.213 5.004 0.324 7 0 "[ . 1]" 1
318 1 42 GLN HG3 1 44 ASP H 6.000 . 6.000 6.240 5.891 6.564 0.564 3 1 "[ + . 1]" 1
319 1 42 GLN HG3 1 47 ILE MG 4.750 . 4.750 5.031 4.574 5.532 0.782 2 1 "[ + . 1]" 1
320 1 43 ALA H 1 44 ASP H . . 4.760 2.953 2.592 3.698 . 0 0 "[ . 1]" 1
321 1 43 ALA H 1 44 ASP HB3 5.820 . 5.820 5.402 4.928 6.124 0.304 1 0 "[ . 1]" 1
322 1 43 ALA HA 1 44 ASP H 5.370 . 5.370 3.489 3.456 3.529 . 0 0 "[ . 1]" 1
323 1 43 ALA MB 1 44 ASP H 4.870 . 4.870 2.156 1.721 2.522 0.079 4 0 "[ . 1]" 1
324 1 43 ALA MB 1 45 GLY HA3 5.970 . 5.970 6.130 5.942 6.354 0.384 5 0 "[ . 1]" 1
325 1 44 ASP H 1 45 GLY H 5.550 . 5.550 2.624 2.191 2.972 . 0 0 "[ . 1]" 1
326 1 44 ASP HA 1 46 ARG H 6.000 . 6.000 5.075 4.427 6.114 0.114 4 0 "[ . 1]" 1
327 1 44 ASP HB3 1 45 GLY H 6.000 . 6.000 3.105 2.309 4.231 . 0 0 "[ . 1]" 1
328 1 44 ASP HB3 1 46 ARG H 5.520 . 5.520 3.441 2.555 5.064 . 0 0 "[ . 1]" 1
329 1 44 ASP HB3 1 46 ARG HE 6.010 . 6.010 5.032 3.165 6.043 0.033 1 0 "[ . 1]" 1
330 1 45 GLY H 1 46 ARG H 4.850 . 4.850 2.733 1.837 4.359 . 0 0 "[ . 1]" 1
331 1 45 GLY H 1 46 ARG HB2 6.010 . 6.010 4.635 3.705 6.026 0.016 10 0 "[ . 1]" 1
332 1 45 GLY HA3 1 47 ILE QG 6.010 . 6.010 5.910 5.431 6.215 0.205 8 0 "[ . 1]" 1
333 1 45 GLY HA3 1 48 THR HB 5.510 . 5.510 5.496 5.064 5.897 0.387 9 0 "[ . 1]" 1
334 1 46 ARG H 1 46 ARG HD3 5.950 . 5.950 3.330 1.840 4.291 . 0 0 "[ . 1]" 1
335 1 46 ARG H 1 46 ARG HG3 4.660 . 4.660 2.299 1.795 3.601 0.005 2 0 "[ . 1]" 1
336 1 46 ARG H 1 47 ILE H 6.010 . 6.010 2.936 2.342 3.301 . 0 0 "[ . 1]" 1
337 1 46 ARG H 1 47 ILE HG12 5.510 . 5.510 4.688 4.072 5.346 . 0 0 "[ . 1]" 1
338 1 46 ARG H 1 47 ILE QG 6.010 . 6.010 4.434 3.929 5.055 . 0 0 "[ . 1]" 1
339 1 46 ARG H 1 47 ILE HG13 5.880 . 5.880 5.494 5.147 6.229 0.349 4 0 "[ . 1]" 1
340 1 46 ARG HB2 1 47 ILE HG12 5.290 . 5.290 3.228 2.949 3.642 . 0 0 "[ . 1]" 1
341 1 46 ARG HB3 1 47 ILE MD 6.010 . 6.010 5.158 4.527 5.822 . 0 0 "[ . 1]" 1
342 1 46 ARG HD2 1 47 ILE QG 6.010 . 6.010 5.550 4.998 5.998 . 0 0 "[ . 1]" 1
343 1 46 ARG HD3 1 47 ILE HG12 5.660 . 5.660 4.440 4.226 5.026 . 0 0 "[ . 1]" 1
344 1 46 ARG HD3 1 47 ILE HG13 5.380 . 5.380 5.925 5.587 6.304 0.924 3 4 "[ + .**- 1]" 1
345 1 46 ARG HG2 1 47 ILE QG 6.010 . 6.010 5.761 5.253 6.131 0.121 2 0 "[ . 1]" 1
346 1 46 ARG HG3 1 47 ILE H 6.010 . 6.010 4.215 3.822 4.700 . 0 0 "[ . 1]" 1
347 1 46 ARG HG3 1 47 ILE MG 6.000 . 6.000 4.892 4.466 5.882 . 0 0 "[ . 1]" 1
348 1 47 ILE H 1 48 THR HB 6.010 . 6.010 5.308 3.651 5.993 . 0 0 "[ . 1]" 1
349 1 47 ILE HA 1 52 ALA MB 4.440 . 4.440 4.862 4.450 5.423 0.983 2 3 "[ +* . - 1]" 1
350 1 47 ILE MD 1 51 GLN HA 6.000 . 6.000 5.483 4.712 6.078 0.078 5 0 "[ . 1]" 1
351 1 47 ILE MD 1 52 ALA H 4.970 . 4.970 3.487 2.884 3.997 . 0 0 "[ . 1]" 1
352 1 47 ILE MD 1 52 ALA HA 5.880 . 5.880 2.521 2.347 2.829 . 0 0 "[ . 1]" 1
353 1 47 ILE MD 1 52 ALA MB 5.140 . 5.140 1.914 1.762 2.053 0.038 4 0 "[ . 1]" 1
354 1 47 ILE HG12 1 52 ALA HA 4.720 . 4.720 5.192 4.982 5.690 0.970 4 3 "[ +-* 1]" 1
355 1 47 ILE HG13 1 50 GLU H 5.760 . 5.760 6.024 5.886 6.227 0.467 4 0 "[ . 1]" 1
356 1 47 ILE HG13 1 52 ALA H 5.550 . 5.550 3.769 2.925 4.215 . 0 0 "[ . 1]" 1
357 1 47 ILE MG 1 48 THR HB 5.640 . 5.640 5.928 5.855 5.989 0.349 8 0 "[ . 1]" 1
358 1 47 ILE MG 1 51 GLN HB3 5.900 . 5.900 5.611 4.855 6.111 0.211 6 0 "[ . 1]" 1
359 1 47 ILE MG 1 51 GLN HG3 5.710 . 5.710 4.274 3.139 5.538 . 0 0 "[ . 1]" 1
360 1 47 ILE MG 1 52 ALA MB 5.330 . 5.330 4.003 3.522 4.441 . 0 0 "[ . 1]" 1
361 1 48 THR HA 1 49 GLU H 4.730 . 4.730 2.517 2.137 2.795 . 0 0 "[ . 1]" 1
362 1 48 THR HB 1 49 GLU H 5.190 . 5.190 3.853 3.584 4.187 . 0 0 "[ . 1]" 1
363 1 48 THR HB 1 50 GLU H 4.620 . 4.620 4.267 3.503 4.640 0.020 9 0 "[ . 1]" 1
364 1 48 THR HB 1 51 GLN H 5.870 . 5.870 5.157 3.238 6.028 0.158 9 0 "[ . 1]" 1
365 1 48 THR MG 1 49 GLU H 5.520 . 5.520 2.856 2.196 3.707 . 0 0 "[ . 1]" 1
366 1 49 GLU H 1 50 GLU H . . 5.000 2.632 2.482 2.844 . 0 0 "[ . 1]" 1
367 1 49 GLU H 1 50 GLU HB2 4.660 . 4.660 4.739 4.566 4.923 0.263 6 0 "[ . 1]" 1
368 1 49 GLU H 1 51 GLN H 6.010 . 6.010 5.042 4.435 6.025 0.015 9 0 "[ . 1]" 1
369 1 49 GLU HA 1 49 GLU HG2 4.390 . 4.390 2.828 2.427 3.706 . 0 0 "[ . 1]" 1
370 1 49 GLU HA 1 50 GLU H 5.090 . 5.090 3.373 3.177 3.506 . 0 0 "[ . 1]" 1
371 1 49 GLU HA 1 51 GLN HG3 4.720 . 4.720 5.068 4.915 5.298 0.578 5 1 "[ + 1]" 1
372 1 49 GLU HB3 1 50 GLU H 4.560 . 4.560 4.069 3.536 4.303 . 0 0 "[ . 1]" 1
373 1 49 GLU HG2 1 50 GLU H 5.890 . 5.890 4.463 2.506 5.261 . 0 0 "[ . 1]" 1
374 1 50 GLU H 1 50 GLU HB2 . . 4.340 2.430 2.277 2.687 . 0 0 "[ . 1]" 1
375 1 50 GLU H 1 51 GLN H 5.200 . 5.200 2.903 2.511 3.793 . 0 0 "[ . 1]" 1
376 1 50 GLU H 1 51 GLN HB3 5.910 . 5.910 5.648 5.228 6.115 0.205 9 0 "[ . 1]" 1
377 1 50 GLU HB2 1 51 GLN H 4.740 . 4.740 2.787 1.973 3.841 . 0 0 "[ . 1]" 1
378 1 51 GLN H 1 51 GLN HE21 5.910 . 5.910 4.549 4.065 5.332 . 0 0 "[ . 1]" 1
379 1 51 GLN H 1 52 ALA H 5.260 . 5.260 2.561 2.185 3.475 . 0 0 "[ . 1]" 1
380 1 51 GLN H 1 52 ALA MB 4.720 . 4.720 4.137 3.816 4.897 0.177 9 0 "[ . 1]" 1
381 1 51 GLN H 1 54 ALA MB 5.970 . 5.970 4.138 3.086 4.629 . 0 0 "[ . 1]" 1
382 1 51 GLN H 1 55 TYR H 5.260 . 5.260 5.670 5.393 6.087 0.827 2 3 "[ + *- 1]" 1
383 1 51 GLN HA 1 52 ALA H 4.450 . 4.450 3.528 3.426 3.647 . 0 0 "[ . 1]" 1
384 1 51 GLN HB2 1 52 ALA H 4.730 . 4.730 3.608 2.293 4.222 . 0 0 "[ . 1]" 1
385 1 51 GLN HE22 1 52 ALA MB 5.930 . 5.930 5.582 5.487 5.678 . 0 0 "[ . 1]" 1
386 1 52 ALA H 1 53 LYS HA 4.700 . 4.700 5.020 4.844 5.176 0.476 3 0 "[ . 1]" 1
387 1 52 ALA HA 1 53 LYS H 6.000 . 6.000 3.502 3.365 3.596 . 0 0 "[ . 1]" 1
388 1 52 ALA HA 1 53 LYS QG 5.690 . 5.690 5.822 5.392 6.186 0.496 9 0 "[ . 1]" 1
389 1 52 ALA MB 1 55 TYR H 4.480 . 4.480 4.154 3.959 4.468 . 0 0 "[ . 1]" 1
390 1 52 ALA MB 1 55 TYR HD2 6.010 . 6.010 4.919 4.453 5.255 . 0 0 "[ . 1]" 1
391 1 53 LYS H 1 53 LYS QG 4.740 . 4.740 3.530 2.721 3.957 . 0 0 "[ . 1]" 1
392 1 53 LYS H 1 54 ALA MB 6.000 . 6.000 4.007 3.824 4.195 . 0 0 "[ . 1]" 1
393 1 53 LYS HA 1 54 ALA MB 5.870 . 5.870 4.944 4.905 4.966 . 0 0 "[ . 1]" 1
394 1 53 LYS HB2 1 54 ALA HA 5.870 . 5.870 5.253 4.703 5.676 . 0 0 "[ . 1]" 1
395 1 53 LYS QG 1 57 GLU H 5.800 . 5.800 4.401 3.881 5.045 . 0 0 "[ . 1]" 1
396 1 53 LYS QG 1 57 GLU HA 6.000 . 6.000 5.826 5.389 6.128 0.128 5 0 "[ . 1]" 1
397 1 54 ALA H 1 55 TYR H 4.670 . 4.670 2.523 2.202 2.630 . 0 0 "[ . 1]" 1
398 1 54 ALA H 1 55 TYR QB 5.990 . 5.990 4.437 4.144 4.565 . 0 0 "[ . 1]" 1
399 1 54 ALA HA 1 55 TYR H 6.000 . 6.000 3.559 3.538 3.586 . 0 0 "[ . 1]" 1
400 1 54 ALA HA 1 57 GLU H 5.940 . 5.940 3.606 3.421 3.835 . 0 0 "[ . 1]" 1
401 1 54 ALA HA 1 57 GLU QB 4.480 . 4.480 2.984 2.105 3.997 . 0 0 "[ . 1]" 1
402 1 54 ALA HA 1 57 GLU HG3 6.010 . 6.010 4.476 2.050 6.104 0.094 10 0 "[ . 1]" 1
403 1 54 ALA MB 1 55 TYR H 4.730 . 4.730 2.651 2.416 2.859 . 0 0 "[ . 1]" 1
404 1 55 TYR H 1 55 TYR HD1 5.400 . 5.400 4.675 4.418 4.915 . 0 0 "[ . 1]" 1
405 1 55 TYR H 1 56 LYS H 4.920 . 4.920 2.455 2.228 2.635 . 0 0 "[ . 1]" 1
406 1 55 TYR H 1 56 LYS HB3 5.330 . 5.330 5.567 5.283 5.735 0.405 8 0 "[ . 1]" 1
407 1 55 TYR H 1 58 TYR H 5.760 . 5.760 4.370 4.000 5.146 . 0 0 "[ . 1]" 1
408 1 55 TYR H 1 59 HIS H 5.610 . 5.610 5.914 5.719 6.055 0.445 5 0 "[ . 1]" 1
409 1 55 TYR QB 1 56 LYS H 5.430 . 5.430 2.815 2.556 3.226 . 0 0 "[ . 1]" 1
410 1 55 TYR QB 1 56 LYS HG3 4.580 . 4.580 4.670 4.490 5.008 0.428 5 0 "[ . 1]" 1
411 1 55 TYR QB 1 58 TYR HA 6.010 . 6.010 6.078 5.817 6.282 0.272 7 0 "[ . 1]" 1
412 1 55 TYR QB 1 59 HIS H 5.610 . 5.610 4.834 4.679 5.116 . 0 0 "[ . 1]" 1
413 1 55 TYR HD1 1 56 LYS H 5.500 . 5.500 5.412 5.271 5.526 0.026 5 0 "[ . 1]" 1
414 1 55 TYR HD2 1 56 LYS HA 5.880 . 5.880 3.752 2.947 4.596 . 0 0 "[ . 1]" 1
415 1 56 LYS H 1 57 GLU QB . . 4.570 4.360 4.131 4.698 0.128 8 0 "[ . 1]" 1
416 1 56 LYS HA 1 60 ASP QB 6.010 . 6.010 4.133 3.349 5.198 . 0 0 "[ . 1]" 1
417 1 56 LYS HB2 1 57 GLU H 4.680 . 4.680 2.985 2.541 3.788 . 0 0 "[ . 1]" 1
418 1 56 LYS HB3 1 57 GLU HA 4.760 . 4.760 3.995 3.646 4.404 . 0 0 "[ . 1]" 1
419 1 57 GLU H 1 58 TYR H 4.670 . 4.670 2.469 1.990 3.235 . 0 0 "[ . 1]" 1
420 1 57 GLU H 1 58 TYR HB2 6.000 . 6.000 4.701 4.383 5.109 . 0 0 "[ . 1]" 1
421 1 57 GLU HA 1 60 ASP QB 5.470 . 5.470 3.243 2.021 4.421 . 0 0 "[ . 1]" 1
422 1 57 GLU HA 1 61 LYS QG 4.580 . 4.580 3.687 2.582 4.404 . 0 0 "[ . 1]" 1
423 1 57 GLU QB 1 61 LYS H 4.720 . 4.720 4.256 3.985 4.589 . 0 0 "[ . 1]" 1
424 1 57 GLU QB 1 61 LYS HA 5.840 . 5.840 4.311 2.756 5.685 . 0 0 "[ . 1]" 1
425 1 57 GLU QB 1 61 LYS QG 5.870 . 5.870 4.026 2.605 4.945 . 0 0 "[ . 1]" 1
426 1 58 TYR H 1 58 TYR HD1 5.400 . 5.400 3.769 2.839 4.736 . 0 0 "[ . 1]" 1
427 1 58 TYR H 1 59 HIS H . . 5.500 2.641 2.291 3.316 . 0 0 "[ . 1]" 1
428 1 58 TYR H 1 61 LYS H 5.920 . 5.920 4.274 3.883 4.828 . 0 0 "[ . 1]" 1
429 1 58 TYR H 1 61 LYS QB 5.570 . 5.570 5.490 4.524 6.458 0.888 3 1 "[ + . 1]" 1
430 1 58 TYR HA 1 59 HIS H 5.910 . 5.910 3.515 3.443 3.562 . 0 0 "[ . 1]" 1
431 1 58 TYR HD1 1 59 HIS H 5.940 . 5.940 5.044 4.717 5.459 . 0 0 "[ . 1]" 1
432 1 59 HIS H 1 60 ASP H 5.510 . 5.510 2.742 2.489 2.939 . 0 0 "[ . 1]" 1
433 1 59 HIS H 1 60 ASP QB 4.750 . 4.750 4.574 4.246 4.756 0.006 7 0 "[ . 1]" 1
434 1 59 HIS H 1 62 ASN HA 5.940 . 5.940 6.542 6.265 7.625 1.685 6 3 "[- .+ *1]" 1
435 1 59 HIS HB3 1 60 ASP HA 4.670 . 4.670 4.326 4.143 4.706 0.036 5 0 "[ . 1]" 1
436 1 60 ASP H 1 61 LYS H 5.610 . 5.610 2.607 2.469 2.829 . 0 0 "[ . 1]" 1
437 1 60 ASP H 1 61 LYS HA 4.750 . 4.750 4.953 4.611 5.321 0.571 5 1 "[ + 1]" 1
438 1 60 ASP HA 1 61 LYS H 5.930 . 5.930 3.491 3.382 3.555 . 0 0 "[ . 1]" 1
439 1 60 ASP QB 1 61 LYS H 5.160 . 5.160 2.667 1.831 3.116 . 0 0 "[ . 1]" 1
440 1 60 ASP QB 1 61 LYS QG 4.750 . 4.750 4.091 2.849 5.270 0.520 4 2 "[- +. 1]" 1
441 1 61 LYS H 1 62 ASN HA 5.940 . 5.940 4.578 3.773 5.124 . 0 0 "[ . 1]" 1
442 1 61 LYS HA 1 63 GLY H 5.390 . 5.390 5.067 4.138 5.862 0.472 2 0 "[ . 1]" 1
443 1 61 LYS QG 1 62 ASN HB3 4.760 . 4.760 4.211 2.423 5.492 0.732 9 1 "[ . +1]" 1
444 1 62 ASN H 1 62 ASN HD21 5.990 . 5.990 5.116 4.422 5.794 . 0 0 "[ . 1]" 1
445 1 62 ASN H 1 62 ASN HD22 6.000 . 6.000 5.876 5.318 6.217 0.217 4 0 "[ . 1]" 1
446 1 62 ASN H 1 63 GLY H 5.790 . 5.790 2.921 1.777 4.054 0.023 3 0 "[ . 1]" 1
447 1 62 ASN HA 1 62 ASN HD22 4.620 . 4.620 4.372 3.947 4.763 0.143 2 0 "[ . 1]" 1
448 1 62 ASN HA 1 63 GLY H 5.220 . 5.220 2.824 2.154 3.571 . 0 0 "[ . 1]" 1
449 1 62 ASN HB2 1 63 GLY H 5.840 . 5.840 4.242 2.998 4.650 . 0 0 "[ . 1]" 1
450 1 63 GLY H 1 64 GLY H 4.930 . 4.930 4.155 2.657 4.582 . 0 0 "[ . 1]" 1
451 1 64 GLY H 1 65 ALA H 5.990 . 5.990 3.644 2.098 4.601 . 0 0 "[ . 1]" 1
452 1 64 GLY H 1 65 ALA MB 5.640 . 5.640 4.349 3.666 4.937 . 0 0 "[ . 1]" 1
453 1 65 ALA H 1 66 ASN H 5.670 . 5.670 4.087 2.704 4.624 . 0 0 "[ . 1]" 1
454 1 65 ALA HA 1 66 ASN H 5.290 . 5.290 2.674 2.189 3.569 . 0 0 "[ . 1]" 1
455 1 65 ALA MB 1 66 ASN H 5.780 . 5.780 2.421 1.834 3.117 . 0 0 "[ . 1]" 1
456 1 65 ALA MB 1 66 ASN HD21 6.000 . 6.000 4.573 2.542 5.661 . 0 0 "[ . 1]" 1
457 1 65 ALA MB 1 66 ASN HD22 5.970 . 5.970 4.417 2.903 5.543 . 0 0 "[ . 1]" 1
458 1 66 ASN HA 1 66 ASN HD21 4.760 . 4.760 4.112 3.670 4.413 . 0 0 "[ . 1]" 1
459 1 66 ASN HA 1 66 ASN HD22 5.140 . 5.140 5.085 4.862 5.234 0.094 3 0 "[ . 1]" 1
460 1 66 ASN HA 1 67 ARG H 4.750 . 4.750 2.810 2.458 3.303 . 0 0 "[ . 1]" 1
461 1 66 ASN HD21 1 67 ARG HG3 6.010 . 6.010 5.285 1.859 6.023 0.013 3 0 "[ . 1]" 1
462 1 66 ASN HD21 1 68 LYS HD3 6.000 . 6.000 5.987 5.634 6.256 0.256 2 0 "[ . 1]" 1
463 1 67 ARG H 1 68 LYS QG 4.670 . 4.670 3.850 3.330 4.710 0.040 2 0 "[ . 1]" 1
464 1 67 ARG H 1 69 VAL H 5.740 . 5.740 5.272 4.889 5.797 0.057 8 0 "[ . 1]" 1
465 1 67 ARG HA 1 68 LYS QG 5.910 . 5.910 3.238 2.452 3.810 . 0 0 "[ . 1]" 1
466 1 67 ARG HB3 1 68 LYS HD2 5.150 . 5.150 4.543 4.039 5.259 0.109 2 0 "[ . 1]" 1
467 1 67 ARG HB3 1 69 VAL HA 6.010 . 6.010 6.398 5.897 6.807 0.797 4 2 "[ +. -1]" 1
468 1 67 ARG QD 1 68 LYS QG 5.970 . 5.970 4.722 2.768 5.604 . 0 0 "[ . 1]" 1
469 1 67 ARG HE 1 68 LYS HD2 5.900 . 5.900 6.049 5.564 6.293 0.393 4 0 "[ . 1]" 1
470 1 67 ARG HG2 1 68 LYS HB3 6.000 . 6.000 5.899 5.334 6.541 0.541 2 1 "[ + . 1]" 1
471 1 67 ARG HG2 1 69 VAL H 5.720 . 5.720 4.309 2.833 5.549 . 0 0 "[ . 1]" 1
472 1 67 ARG HG2 1 69 VAL HA 5.210 . 5.210 4.942 4.479 5.265 0.055 1 0 "[ . 1]" 1
473 1 67 ARG HG2 1 69 VAL MG1 6.000 . 6.000 5.882 5.084 6.368 0.368 2 0 "[ . 1]" 1
474 1 67 ARG HG3 1 69 VAL MG1 5.490 . 5.490 5.315 4.913 6.310 0.820 10 1 "[ . +]" 1
475 1 67 ARG HG3 1 69 VAL MG2 5.700 . 5.700 4.497 3.236 5.905 0.205 2 0 "[ . 1]" 1
476 1 68 LYS HB2 1 69 VAL HA 5.960 . 5.960 4.233 3.866 5.003 . 0 0 "[ . 1]" 1
477 1 68 LYS HB3 1 69 VAL MG1 4.720 . 4.720 4.021 3.672 4.614 . 0 0 "[ . 1]" 1
478 1 68 LYS QG 1 69 VAL HA . . 4.550 4.440 4.213 4.858 0.308 9 0 "[ . 1]" 1
479 1 68 LYS QG 1 69 VAL MG1 4.720 . 4.720 3.236 2.601 4.109 . 0 0 "[ . 1]" 1
480 1 69 VAL H 1 70 ASN QD 5.620 . 5.620 4.849 4.031 5.754 0.134 8 0 "[ . 1]" 1
481 1 69 VAL HA 1 70 ASN H 4.670 . 4.670 2.700 2.116 3.223 . 0 0 "[ . 1]" 1
482 1 69 VAL HA 1 71 ASP HB2 6.010 . 6.010 6.163 6.053 6.334 0.324 8 0 "[ . 1]" 1
483 1 69 VAL HB 1 70 ASN H 5.990 . 5.990 2.863 1.821 4.353 . 0 0 "[ . 1]" 1
484 1 69 VAL MG2 1 70 ASN H 5.130 . 5.130 3.012 2.205 4.240 . 0 0 "[ . 1]" 1
485 1 69 VAL MG2 1 70 ASN HA 5.820 . 5.820 3.970 3.108 4.791 . 0 0 "[ . 1]" 1
486 1 70 ASN H 1 71 ASP H 5.720 . 5.720 4.483 3.765 4.724 . 0 0 "[ . 1]" 1
487 1 70 ASN HA 1 71 ASP H 4.690 . 4.690 2.757 2.179 2.927 . 0 0 "[ . 1]" 1
488 1 70 ASN HA 1 71 ASP HB3 4.330 . 4.330 4.328 4.106 4.774 0.444 2 0 "[ . 1]" 1
489 1 70 ASN QB 1 71 ASP H 4.740 . 4.740 2.157 1.789 3.458 0.011 9 0 "[ . 1]" 1
490 1 70 ASN QB 1 71 ASP HA 5.980 . 5.980 3.887 3.716 4.759 . 0 0 "[ . 1]" 1
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