NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607431 |
5kgz   |
30107 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kgz
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 1002
_Distance_constraint_stats_list.Viol_total 11693.085
_Distance_constraint_stats_list.Viol_max 3.743
_Distance_constraint_stats_list.Viol_rms 0.3004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0597
_Distance_constraint_stats_list.Viol_average_violations_only 0.5835
_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 THR 0.129 0.108 18 0 "[ . 1 . 2]"
1 3 GLY 0.147 0.108 18 0 "[ . 1 . 2]"
1 4 LEU 2.397 0.256 7 0 "[ . 1 . 2]"
1 5 ALA 3.009 0.680 15 3 "[ - . * 1 + 2]"
1 6 GLU 44.965 3.048 8 16 "[*** .**+******- ***2]"
1 7 ALA 6.898 0.423 7 0 "[ . 1 . 2]"
1 8 ILE 7.190 0.493 9 0 "[ . 1 . 2]"
1 9 ALA 12.315 1.005 3 7 "[* + . 1*-* ** 2]"
1 10 ASN 52.153 3.048 8 20 [*******+**-*********]
1 11 THR 2.246 0.237 2 0 "[ . 1 . 2]"
1 12 VAL 11.496 0.343 16 0 "[ . 1 . 2]"
1 13 GLN 25.411 1.005 3 20 [**+*******-*********]
1 14 ALA 0.401 0.116 17 0 "[ . 1 . 2]"
1 15 ALA 43.891 2.914 9 15 "[ *******+* * -****2]"
1 16 GLN 125.666 3.743 2 17 "[*+* ******-***** * *]"
1 17 GLN 34.438 1.958 7 18 "[******+*******-* * *]"
1 18 HIS 163.705 3.743 2 18 "[*+************** * *]"
1 19 ASP 15.886 1.524 2 9 "[ + *.* * 1 * - ***2]"
1 20 SER 59.511 2.914 9 18 "[ *****-*+* *********]"
1 21 VAL 5.580 0.711 15 4 "[ . 1 *+* *]"
1 22 LYS 24.371 1.742 9 16 "[******* +** ****-*]"
1 23 LEU 18.845 1.076 12 9 "[ * ** - ** + . **2]"
1 24 GLY 28.016 1.742 9 16 "[******* +** ****-*]"
1 25 THR 135.434 2.626 1 20 [+*****************-*]
1 26 SER 14.688 1.158 17 7 "[ .*** 1 **+ -]"
1 27 ILE 32.237 1.028 13 17 "[****** -****+*.* ***]"
1 28 VAL 150.617 2.626 1 20 [+********-**********]
1 29 ASP 38.157 1.158 17 12 "[ .*** ** ****+ -*]"
1 30 ILE 25.671 1.028 13 16 "[**-**** *** +** ***]"
1 31 VAL 18.989 1.195 18 10 "[ * ** -* *. *+**]"
1 32 ALA 1.765 0.360 11 0 "[ . 1 . 2]"
1 33 ASN 13.124 0.630 8 6 "[ .- +*1* . ** 2]"
1 34 GLY 5.604 0.310 7 0 "[ . 1 . 2]"
1 35 VAL 1.546 0.140 13 0 "[ . 1 . 2]"
1 36 GLY 1.446 0.140 13 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 1.538 0.426 16 0 "[ . 1 . 2]"
1 39 GLY 0.723 0.316 20 0 "[ . 1 . 2]"
1 40 LYS 0.105 0.096 19 0 "[ . 1 . 2]"
1 41 LEU 0.190 0.060 10 0 "[ . 1 . 2]"
1 42 PHE 0.070 0.010 10 0 "[ . 1 . 2]"
1 43 GLY 0.015 0.007 1 0 "[ . 1 . 2]"
1 44 PHE 0.022 0.007 1 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 THR HA 1 3 GLY H . . 3.180 2.539 2.195 3.288 0.108 18 0 "[ . 1 . 2]" 1
2 1 2 THR HB 1 3 GLY H . . 4.480 3.996 2.714 4.501 0.021 1 0 "[ . 1 . 2]" 1
3 1 2 THR MG 1 3 GLY H . . 5.500 3.685 2.756 4.414 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY H 1 4 LEU H . . 3.640 2.277 1.903 2.797 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLY H 1 6 GLU H . . 5.390 4.265 3.020 5.070 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLY H 1 6 GLU QB . . 5.500 3.513 2.287 4.507 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLY QA 1 4 LEU HB2 . . 5.340 4.830 4.718 5.035 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLY QA 1 6 GLU H . . 4.020 3.599 3.100 3.960 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLY QA 1 6 GLU QB . . 3.660 2.553 1.979 3.202 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLY QA 1 6 GLU QG . . 5.180 4.300 3.485 4.762 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLY QA 1 7 ALA H . . 2.870 2.783 2.581 2.888 0.018 18 0 "[ . 1 . 2]" 1
12 1 3 GLY QA 1 7 ALA MB . . 3.600 2.893 2.647 3.383 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU HB2 . . 3.430 2.346 2.183 2.617 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU MD1 . . 5.500 3.209 1.969 3.930 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 4 LEU MD2 . . 5.500 3.898 3.463 4.128 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 4 LEU HG . . 3.200 2.872 2.020 3.205 0.005 18 0 "[ . 1 . 2]" 1
17 1 4 LEU HA 1 4 LEU MD1 . . 3.700 3.731 3.300 3.956 0.256 7 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 1 4 LEU HG . . 3.060 2.734 2.413 3.046 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HB2 1 5 ALA H . . 4.380 2.450 2.145 2.986 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HB3 1 5 ALA HA . . 5.500 4.453 4.221 4.718 . 0 0 "[ . 1 . 2]" 1
21 1 5 ALA H 1 5 ALA MB . . 3.280 2.457 2.389 2.543 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 6 GLU H . . 3.110 1.926 1.889 1.997 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA HA 1 8 ILE H . . 3.950 3.427 3.280 3.526 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA HA 1 8 ILE HB . . 3.700 3.213 2.940 3.693 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA HA 1 8 ILE HG12 . . 5.500 3.870 2.820 4.645 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA HA 1 8 ILE HG13 . . 5.500 4.306 3.348 4.924 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA HA 1 30 ILE MG . . 4.470 2.757 2.275 3.410 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA MB 1 6 GLU H . . 4.550 2.837 2.606 3.023 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA MB 1 6 GLU QB . . 5.500 4.455 4.314 4.524 . 0 0 "[ . 1 . 2]" 1
30 1 5 ALA MB 1 8 ILE H . . 5.500 4.549 4.377 4.633 . 0 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 8 ILE HB . . 4.240 3.918 3.710 3.988 . 0 0 "[ . 1 . 2]" 1
32 1 5 ALA MB 1 9 ALA H . . 5.500 4.326 4.168 4.569 . 0 0 "[ . 1 . 2]" 1
33 1 5 ALA MB 1 30 ILE HB . . 5.500 5.529 5.028 6.180 0.680 15 3 "[ - . * 1 + 2]" 1
34 1 5 ALA MB 1 30 ILE MG . . 4.270 3.135 2.642 3.672 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLU H 1 6 GLU QB . . 3.390 2.222 2.154 2.265 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLU H 1 6 GLU QG . . 4.830 2.783 2.567 3.390 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLU H 1 7 ALA H . . 3.370 2.808 2.671 2.909 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLU H 1 8 ILE H . . 4.680 4.404 4.026 4.623 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLU H 1 9 ALA H . . 4.760 4.702 4.608 4.763 0.003 3 0 "[ . 1 . 2]" 1
40 1 6 GLU HA 1 6 GLU QG . . 3.560 2.266 2.127 2.589 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLU HA 1 9 ALA H . . 4.040 3.375 3.141 3.574 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLU HA 1 9 ALA MB . . 3.100 2.657 2.361 2.837 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLU HA 1 10 ASN H . . 4.740 4.632 4.532 4.710 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLU QB 1 7 ALA H . . 3.540 2.571 2.430 2.703 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLU QB 1 7 ALA MB . . 4.520 3.846 3.743 3.951 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLU QB 1 9 ALA MB . . 5.480 4.330 4.094 4.486 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLU QB 1 10 ASN QD . . 5.500 5.073 3.675 6.423 0.923 14 6 "[ . **1 * +- * 2]" 1
48 1 6 GLU QG 1 7 ALA H . . 5.260 4.304 4.213 4.501 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU QG 1 7 ALA HA . . 5.380 5.718 5.613 5.803 0.423 7 0 "[ . 1 . 2]" 1
50 1 6 GLU QG 1 7 ALA MB . . 5.500 5.480 5.407 5.548 0.048 5 0 "[ . 1 . 2]" 1
51 1 6 GLU QG 1 9 ALA MB . . 4.890 4.017 3.622 4.482 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU QG 1 10 ASN QD . . 4.840 6.489 4.878 7.888 3.048 8 16 "[*** .**+****-** ***2]" 1
53 1 7 ALA H 1 7 ALA MB . . 2.930 2.139 2.037 2.216 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 8 ILE H . . 3.250 2.850 2.722 2.966 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 8 ILE HB . . 5.500 5.113 4.965 5.220 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 9 ALA H . . 4.560 4.067 3.956 4.156 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 9 ALA H . . 4.600 4.391 4.357 4.414 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 10 ASN H . . 4.020 3.673 3.562 3.786 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 10 ASN HB2 . . 3.890 2.615 2.444 2.935 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA HA 1 10 ASN HB3 . . 3.990 3.505 3.209 3.977 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 8 ILE H . . 3.430 2.430 2.199 2.751 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA MB 1 8 ILE HA . . 4.340 3.749 3.673 3.829 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 10 ASN HB2 . . 5.250 4.178 4.057 4.383 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA MB 1 10 ASN HB3 . . 5.500 4.557 4.311 4.912 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE H 1 8 ILE HB . . 3.270 2.571 2.466 2.656 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE MD . . 4.630 2.415 1.892 3.074 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE QG . . 3.400 2.440 1.940 3.054 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 9 ALA H . . 3.210 2.592 2.420 2.706 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE H 1 9 ALA MB . . 4.870 4.223 4.061 4.326 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE H 1 30 ILE MG . . 5.500 4.189 3.897 4.582 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE HA 1 8 ILE MD . . 4.540 2.785 1.967 3.557 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE HA 1 8 ILE MG . . 3.640 2.399 2.355 2.434 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE HA 1 9 ALA HA . . 4.760 4.702 4.689 4.755 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE HB 1 9 ALA H . . 3.400 2.746 2.694 2.809 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE HB 1 9 ALA HA . . 4.460 4.299 4.193 4.415 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE QG 1 9 ALA H . . 5.340 4.170 3.902 4.457 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE QG 1 30 ILE H . . 4.440 4.784 4.343 4.933 0.493 9 0 "[ . 1 . 2]" 1
78 1 8 ILE QG 1 30 ILE HA . . 4.840 4.790 4.604 4.877 0.037 15 0 "[ . 1 . 2]" 1
79 1 8 ILE QG 1 30 ILE HB . . 4.510 2.377 2.078 2.633 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE QG 1 30 ILE MD . . 4.190 3.695 3.306 4.224 0.034 8 0 "[ . 1 . 2]" 1
81 1 8 ILE QG 1 30 ILE QG . . 3.090 2.359 1.946 3.039 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE QG 1 30 ILE MG . . 3.650 2.259 1.961 2.606 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE QG 1 31 VAL H . . 5.340 4.687 4.010 5.116 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE MG 1 9 ALA H . . 4.070 3.608 3.396 3.742 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE MG 1 9 ALA HA . . 4.050 3.589 3.346 3.741 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE MG 1 12 VAL H . . 5.500 4.251 3.866 4.367 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE MG 1 27 ILE HA . . 5.500 2.745 2.037 4.120 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE MG 1 27 ILE HB . . 5.140 4.005 3.809 4.128 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE MG 1 30 ILE HB . . 4.710 2.470 2.020 3.051 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE MG 1 31 VAL HB . . 5.360 3.609 1.919 4.673 . 0 0 "[ . 1 . 2]" 1
91 1 9 ALA H 1 9 ALA MB . . 2.900 2.085 2.050 2.095 . 0 0 "[ . 1 . 2]" 1
92 1 9 ALA H 1 10 ASN H . . 3.160 2.542 2.534 2.573 . 0 0 "[ . 1 . 2]" 1
93 1 9 ALA HA 1 12 VAL H . . 4.500 3.002 2.973 3.056 . 0 0 "[ . 1 . 2]" 1
94 1 9 ALA HA 1 12 VAL HB . . 3.870 4.034 4.020 4.048 0.178 9 0 "[ . 1 . 2]" 1
95 1 9 ALA HA 1 12 VAL QG . . 4.080 1.709 1.699 1.725 . 0 0 "[ . 1 . 2]" 1
96 1 9 ALA MB 1 10 ASN H . . 3.810 3.321 3.221 3.344 . 0 0 "[ . 1 . 2]" 1
97 1 9 ALA MB 1 10 ASN HA . . 5.200 3.945 3.903 3.967 . 0 0 "[ . 1 . 2]" 1
98 1 9 ALA MB 1 10 ASN HB2 . . 5.500 4.493 4.389 4.536 . 0 0 "[ . 1 . 2]" 1
99 1 9 ALA MB 1 11 THR H . . 5.500 4.463 4.382 4.519 . 0 0 "[ . 1 . 2]" 1
100 1 9 ALA MB 1 12 VAL H . . 5.500 4.410 4.379 4.476 . 0 0 "[ . 1 . 2]" 1
101 1 9 ALA MB 1 12 VAL HB . . 5.040 4.858 4.803 4.993 . 0 0 "[ . 1 . 2]" 1
102 1 9 ALA MB 1 13 GLN H . . 4.950 5.078 4.972 5.141 0.191 15 0 "[ . 1 . 2]" 1
103 1 9 ALA MB 1 13 GLN QE . . 5.500 5.546 4.463 6.505 1.005 3 7 "[* + . 1*-* ** 2]" 1
104 1 9 ALA MB 1 13 GLN HG2 . . 5.500 4.899 4.672 4.958 . 0 0 "[ . 1 . 2]" 1
105 1 9 ALA MB 1 13 GLN QG . . 4.830 4.409 4.297 4.436 . 0 0 "[ . 1 . 2]" 1
106 1 9 ALA MB 1 13 GLN HG3 . . 5.500 5.007 4.870 5.082 . 0 0 "[ . 1 . 2]" 1
107 1 10 ASN H 1 10 ASN HB2 . . 3.240 2.363 2.264 2.424 . 0 0 "[ . 1 . 2]" 1
108 1 10 ASN H 1 10 ASN HB3 . . 3.490 2.841 2.770 2.964 . 0 0 "[ . 1 . 2]" 1
109 1 10 ASN H 1 10 ASN QD . . 5.070 4.474 4.021 4.712 . 0 0 "[ . 1 . 2]" 1
110 1 10 ASN H 1 11 THR H . . 3.270 2.367 2.345 2.413 . 0 0 "[ . 1 . 2]" 1
111 1 10 ASN H 1 11 THR HB . . 4.700 4.760 4.678 4.937 0.237 2 0 "[ . 1 . 2]" 1
112 1 10 ASN HA 1 13 GLN H . . 4.730 4.510 4.475 4.541 . 0 0 "[ . 1 . 2]" 1
113 1 10 ASN HA 1 13 GLN QB . . 4.140 4.783 4.604 5.075 0.935 15 17 "[ * *******-* *+*****]" 1
114 1 10 ASN HA 1 13 GLN QG . . 5.340 3.362 3.132 3.559 . 0 0 "[ . 1 . 2]" 1
115 1 10 ASN HB2 1 11 THR H . . 4.190 3.961 3.872 4.031 . 0 0 "[ . 1 . 2]" 1
116 1 10 ASN HB3 1 11 THR H . . 4.220 3.312 3.235 3.435 . 0 0 "[ . 1 . 2]" 1
117 1 10 ASN HB3 1 11 THR HB . . 5.500 3.966 3.926 4.091 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR H 1 11 THR HB . . 3.180 2.988 2.920 3.167 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR H 1 12 VAL H . . 3.300 1.931 1.887 1.988 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR H 1 12 VAL QG . . 5.500 2.977 2.946 3.002 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR HA 1 13 GLN H . . 5.060 3.610 3.513 3.749 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR HA 1 15 ALA MB . . 5.500 4.085 3.822 4.333 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR HB 1 12 VAL H . . 4.010 4.060 3.991 4.149 0.139 2 0 "[ . 1 . 2]" 1
124 1 11 THR MG 1 12 VAL H . . 4.910 2.184 1.989 2.379 . 0 0 "[ . 1 . 2]" 1
125 1 11 THR MG 1 12 VAL HA . . 5.370 3.194 3.001 3.301 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR MG 1 15 ALA H . . 5.490 4.446 4.156 5.132 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR MG 1 15 ALA MB . . 4.340 2.765 2.600 3.254 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL H 1 12 VAL HB . . 3.270 3.610 3.609 3.613 0.343 16 0 "[ . 1 . 2]" 1
129 1 12 VAL H 1 12 VAL QG . . 3.510 1.884 1.849 1.906 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL H 1 13 GLN H . . 3.300 2.704 2.661 2.777 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL H 1 15 ALA MB . . 4.650 4.014 3.805 4.183 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL HA 1 14 ALA H . . 4.030 3.966 3.653 4.146 0.116 17 0 "[ . 1 . 2]" 1
133 1 12 VAL HA 1 15 ALA H . . 3.970 3.104 2.631 3.301 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL HA 1 15 ALA MB . . 3.510 2.395 2.113 2.494 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL HA 1 16 GLN H . . 4.210 1.959 1.925 2.099 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL HB 1 15 ALA H . . 5.500 5.060 4.341 5.392 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL HB 1 15 ALA MB . . 5.030 4.413 3.971 4.604 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL QG 1 13 GLN H . . 4.090 2.283 2.124 2.385 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL QG 1 13 GLN HA . . 4.130 3.134 3.049 3.168 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL QG 1 13 GLN QE . . 5.500 4.647 4.171 5.179 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL QG 1 13 GLN QG . . 3.070 2.855 2.666 2.930 . 0 0 "[ . 1 . 2]" 1
142 1 12 VAL QG 1 15 ALA MB . . 4.150 3.491 3.273 3.559 . 0 0 "[ . 1 . 2]" 1
143 1 12 VAL QG 1 17 GLN H . . 5.310 3.184 2.734 3.386 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL QG 1 17 GLN HG2 . . 5.360 2.718 2.030 3.289 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL QG 1 17 GLN HG3 . . 5.430 3.186 2.254 3.604 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLN H 1 13 GLN QB . . 3.160 2.435 2.316 2.616 . 0 0 "[ . 1 . 2]" 1
147 1 13 GLN H 1 13 GLN HG2 . . 4.530 2.796 2.537 2.951 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLN H 1 13 GLN QG . . 3.810 2.400 1.973 2.616 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLN H 1 13 GLN HG3 . . 4.530 2.670 2.010 3.078 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLN H 1 14 ALA H . . 3.200 2.811 2.764 2.855 . 0 0 "[ . 1 . 2]" 1
151 1 13 GLN HA 1 15 ALA H . . 4.680 4.742 4.192 5.045 0.365 6 0 "[ . 1 . 2]" 1
152 1 13 GLN QB 1 14 ALA H . . 3.740 2.615 2.446 2.856 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLN QB 1 14 ALA MB . . 4.990 3.317 3.133 3.390 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLN QB 1 15 ALA H . . 5.500 4.390 4.181 4.598 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLN QG 1 14 ALA H . . 5.340 4.110 3.851 4.289 . 0 0 "[ . 1 . 2]" 1
156 1 14 ALA H 1 14 ALA MB . . 2.820 2.392 2.289 2.560 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA H 1 15 ALA H . . 3.180 2.049 1.887 2.289 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA H 1 16 GLN HG2 . . 5.500 5.192 4.893 5.503 0.003 15 0 "[ . 1 . 2]" 1
159 1 14 ALA H 1 16 GLN HG3 . . 5.500 4.776 4.382 5.395 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA HA 1 16 GLN QG . . 5.270 3.535 3.274 4.051 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA H 1 15 ALA MB . . 2.670 2.275 2.109 2.560 . 0 0 "[ . 1 . 2]" 1
162 1 15 ALA H 1 16 GLN QG . . 5.340 3.631 3.124 3.856 . 0 0 "[ . 1 . 2]" 1
163 1 15 ALA HA 1 18 HIS QB . . 3.720 3.227 2.826 3.553 . 0 0 "[ . 1 . 2]" 1
164 1 15 ALA HA 1 18 HIS HD1 . . 5.500 4.168 3.185 4.504 . 0 0 "[ . 1 . 2]" 1
165 1 15 ALA HA 1 19 ASP H . . 3.820 3.625 3.403 3.942 0.122 18 0 "[ . 1 . 2]" 1
166 1 15 ALA HA 1 19 ASP QB . . 3.760 3.954 3.269 4.585 0.825 18 5 "[ *. * 1 - +*2]" 1
167 1 15 ALA HA 1 20 SER H . . 5.110 5.432 5.055 5.894 0.784 7 6 "[ *. + *1 - ** 2]" 1
168 1 15 ALA MB 1 16 GLN H . . 4.690 2.491 2.317 2.769 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 16 GLN QG . . 4.760 4.198 4.111 4.336 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 18 HIS H . . 4.610 2.742 2.589 2.866 . 0 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 18 HIS HA . . 5.500 5.114 5.039 5.211 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA MB 1 18 HIS QB . . 5.090 3.433 3.173 3.580 . 0 0 "[ . 1 . 2]" 1
173 1 15 ALA MB 1 18 HIS HD1 . . 4.860 4.549 4.444 4.594 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA MB 1 19 ASP H . . 4.880 2.861 2.426 3.273 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA MB 1 19 ASP QB . . 5.330 2.917 2.289 3.817 . 0 0 "[ . 1 . 2]" 1
176 1 15 ALA MB 1 20 SER H . . 4.720 3.395 3.046 3.804 . 0 0 "[ . 1 . 2]" 1
177 1 15 ALA MB 1 20 SER HG . . 3.130 4.531 2.829 6.044 2.914 9 15 "[ *******+* * *-***2]" 1
178 1 16 GLN H 1 16 GLN QB . . 3.770 3.384 3.338 3.429 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLN H 1 16 GLN HG2 . . 4.320 3.224 2.931 3.452 . 0 0 "[ . 1 . 2]" 1
180 1 16 GLN H 1 16 GLN QG . . 3.730 2.709 2.567 2.772 . 0 0 "[ . 1 . 2]" 1
181 1 16 GLN H 1 16 GLN HG3 . . 4.320 2.947 2.693 3.327 . 0 0 "[ . 1 . 2]" 1
182 1 16 GLN H 1 17 GLN H . . 3.140 2.685 2.588 2.800 . 0 0 "[ . 1 . 2]" 1
183 1 16 GLN H 1 17 GLN HG2 . . 5.500 5.432 5.173 5.532 0.032 15 0 "[ . 1 . 2]" 1
184 1 16 GLN H 1 18 HIS QB . . 5.000 4.925 4.843 5.147 0.147 15 0 "[ . 1 . 2]" 1
185 1 16 GLN HA 1 16 GLN HG2 . . 3.870 2.616 2.539 2.677 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLN HA 1 16 GLN HG3 . . 3.870 3.282 3.120 3.541 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLN HA 1 17 GLN H . . 3.490 2.852 2.808 2.930 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLN HA 1 17 GLN HG3 . . 4.150 3.079 3.031 3.135 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLN HA 1 18 HIS HD1 . . 5.500 7.511 4.685 8.412 2.912 9 15 "[*** **-*+*****.* *]" 1
190 1 16 GLN QB 1 17 GLN QE . . 5.500 5.332 4.431 6.335 0.835 15 5 "[ . ** 1- + * 2]" 1
191 1 16 GLN QB 1 17 GLN HG3 . . 4.080 4.076 3.974 4.098 0.018 7 0 "[ . 1 . 2]" 1
192 1 16 GLN QB 1 18 HIS QB . . 5.500 3.484 3.269 4.181 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLN QB 1 18 HIS HD1 . . 4.460 5.217 1.930 6.297 1.837 2 15 "[*+* **-*******.* *]" 1
194 1 16 GLN QB 1 18 HIS HE1 . . 4.270 6.636 2.501 8.013 3.743 2 15 "[*+* *******-**.* *]" 1
195 1 16 GLN QG 1 17 GLN H . . 4.850 4.449 4.403 4.479 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLN H 1 17 GLN HB2 . . 4.140 3.728 3.710 3.749 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLN H 1 17 GLN QB . . 3.470 3.429 3.420 3.446 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLN H 1 17 GLN HB3 . . 4.140 4.005 3.996 4.022 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLN H 1 17 GLN HG2 . . 4.410 3.263 3.168 3.361 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLN H 1 17 GLN HG3 . . 3.970 2.936 2.857 3.054 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLN HA 1 17 GLN HG2 . . 3.940 2.715 2.666 2.758 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLN HA 1 18 HIS H . . 3.520 2.805 2.757 2.835 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLN HA 1 18 HIS HD1 . . 5.500 7.033 5.858 7.458 1.958 7 18 "[******+*******-* * *]" 1
204 1 17 GLN HA 1 20 SER H . . 5.340 3.806 3.520 3.871 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLN HA 1 21 VAL H . . 5.090 4.597 4.264 5.110 0.020 7 0 "[ . 1 . 2]" 1
206 1 17 GLN QB 1 18 HIS HA . . 5.340 4.252 4.242 4.267 . 0 0 "[ . 1 . 2]" 1
207 1 18 HIS H 1 18 HIS QB . . 3.370 2.343 2.220 2.435 . 0 0 "[ . 1 . 2]" 1
208 1 18 HIS H 1 19 ASP H . . 3.250 2.603 2.299 2.753 . 0 0 "[ . 1 . 2]" 1
209 1 18 HIS H 1 21 VAL H . . 5.070 4.446 4.219 4.740 . 0 0 "[ . 1 . 2]" 1
210 1 18 HIS HA 1 18 HIS HD1 . . 3.850 4.408 4.214 4.628 0.778 7 15 "[*- ***+* * ***** * *]" 1
211 1 18 HIS HA 1 18 HIS HD2 . . 4.110 2.998 2.269 3.329 . 0 0 "[ . 1 . 2]" 1
212 1 18 HIS HA 1 21 VAL H . . 5.060 3.747 3.596 3.974 . 0 0 "[ . 1 . 2]" 1
213 1 18 HIS QB 1 19 ASP H . . 3.970 2.098 2.014 2.261 . 0 0 "[ . 1 . 2]" 1
214 1 19 ASP H 1 19 ASP QB . . 3.480 2.218 2.132 2.682 . 0 0 "[ . 1 . 2]" 1
215 1 19 ASP H 1 20 SER H . . 3.280 2.715 2.633 2.788 . 0 0 "[ . 1 . 2]" 1
216 1 19 ASP H 1 20 SER HA . . 5.380 5.288 5.203 5.352 . 0 0 "[ . 1 . 2]" 1
217 1 19 ASP H 1 21 VAL H . . 5.030 4.280 3.986 4.519 . 0 0 "[ . 1 . 2]" 1
218 1 19 ASP HA 1 21 VAL H . . 5.500 3.980 3.594 4.422 . 0 0 "[ . 1 . 2]" 1
219 1 19 ASP HA 1 22 LYS H . . 4.370 3.554 3.333 3.917 . 0 0 "[ . 1 . 2]" 1
220 1 19 ASP HA 1 22 LYS HB2 . . 4.330 3.934 3.090 4.794 0.464 19 0 "[ . 1 . 2]" 1
221 1 19 ASP HA 1 22 LYS HB3 . . 4.330 4.000 3.016 4.803 0.473 14 0 "[ . 1 . 2]" 1
222 1 19 ASP HA 1 23 LEU H . . 4.980 4.417 4.135 4.717 . 0 0 "[ . 1 . 2]" 1
223 1 19 ASP QB 1 20 SER H . . 4.060 2.940 2.573 3.462 . 0 0 "[ . 1 . 2]" 1
224 1 19 ASP QB 1 20 SER HG . . 5.340 5.242 3.329 6.864 1.524 2 6 "[ + *.* 1 - . * *2]" 1
225 1 20 SER H 1 20 SER QB . . 3.350 2.448 2.088 2.864 . 0 0 "[ . 1 . 2]" 1
226 1 20 SER H 1 20 SER HG . . 3.530 3.001 1.957 3.866 0.336 2 0 "[ . 1 . 2]" 1
227 1 20 SER H 1 21 VAL H . . 3.380 2.660 2.491 2.857 . 0 0 "[ . 1 . 2]" 1
228 1 20 SER H 1 23 LEU QB . . 5.500 5.433 3.804 6.576 1.076 12 1 "[ . 1 + . 2]" 1
229 1 20 SER HA 1 20 SER HG . . 3.620 3.475 2.568 4.056 0.436 4 0 "[ . 1 . 2]" 1
230 1 20 SER HA 1 22 LYS H . . 4.780 3.782 3.496 4.007 . 0 0 "[ . 1 . 2]" 1
231 1 20 SER HA 1 23 LEU H . . 4.210 2.964 2.749 3.134 . 0 0 "[ . 1 . 2]" 1
232 1 20 SER HA 1 23 LEU QB . . 3.630 3.753 1.978 4.525 0.895 12 8 "[ * ** - ** + . * 2]" 1
233 1 20 SER HA 1 23 LEU MD1 . . 5.500 4.411 3.153 4.809 . 0 0 "[ . 1 . 2]" 1
234 1 20 SER HA 1 28 VAL MG1 . . 5.070 3.735 3.258 4.263 . 0 0 "[ . 1 . 2]" 1
235 1 20 SER QB 1 21 VAL H . . 3.780 3.273 2.657 3.684 . 0 0 "[ . 1 . 2]" 1
236 1 20 SER HG 1 21 VAL H . . 4.230 3.411 2.046 4.941 0.711 15 4 "[ . 1 *+* -]" 1
237 1 21 VAL H 1 21 VAL HB . . 3.800 2.580 2.282 2.680 . 0 0 "[ . 1 . 2]" 1
238 1 21 VAL H 1 21 VAL MG2 . . 4.790 2.138 1.931 3.679 . 0 0 "[ . 1 . 2]" 1
239 1 21 VAL H 1 22 LYS H . . 3.320 2.626 2.440 2.743 . 0 0 "[ . 1 . 2]" 1
240 1 21 VAL H 1 28 VAL MG1 . . 3.620 3.518 3.122 4.133 0.513 15 1 "[ . 1 + 2]" 1
241 1 21 VAL HA 1 22 LYS H . . 3.520 3.452 3.360 3.484 . 0 0 "[ . 1 . 2]" 1
242 1 21 VAL HA 1 23 LEU H . . 4.780 4.443 4.174 4.652 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL HA 1 28 VAL HB . . 4.410 4.283 3.872 4.724 0.314 18 0 "[ . 1 . 2]" 1
244 1 21 VAL HA 1 28 VAL MG1 . . 3.050 2.191 1.888 2.635 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL HB 1 22 LYS H . . 4.030 3.063 2.888 3.862 . 0 0 "[ . 1 . 2]" 1
246 1 21 VAL MG2 1 22 LYS H . . 5.460 3.916 3.819 4.055 . 0 0 "[ . 1 . 2]" 1
247 1 22 LYS H 1 22 LYS HB2 . . 3.670 2.603 2.307 2.883 . 0 0 "[ . 1 . 2]" 1
248 1 22 LYS H 1 22 LYS QB . . 3.170 2.408 2.280 2.607 . 0 0 "[ . 1 . 2]" 1
249 1 22 LYS H 1 22 LYS HB3 . . 3.670 2.933 2.577 3.594 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS H 1 22 LYS QG . . 4.420 3.962 2.791 4.254 . 0 0 "[ . 1 . 2]" 1
251 1 22 LYS H 1 23 LEU H . . 3.410 2.049 1.891 2.222 . 0 0 "[ . 1 . 2]" 1
252 1 22 LYS H 1 28 VAL MG1 . . 5.210 4.452 4.239 4.670 . 0 0 "[ . 1 . 2]" 1
253 1 22 LYS HA 1 22 LYS HE2 . . 5.500 4.719 3.487 5.469 . 0 0 "[ . 1 . 2]" 1
254 1 22 LYS HA 1 22 LYS HE3 . . 5.500 4.445 3.465 5.431 . 0 0 "[ . 1 . 2]" 1
255 1 22 LYS HA 1 24 GLY H . . 4.350 5.358 3.650 6.092 1.742 9 16 "[******* +** ****-*]" 1
256 1 22 LYS QB 1 23 LEU H . . 3.690 2.994 2.784 3.541 . 0 0 "[ . 1 . 2]" 1
257 1 22 LYS HB2 1 23 LEU H . . 4.360 3.793 3.002 4.219 . 0 0 "[ . 1 . 2]" 1
258 1 22 LYS HB3 1 23 LEU H . . 4.360 3.198 2.889 3.900 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU H 1 23 LEU QB . . 3.090 2.743 2.327 3.168 0.078 12 0 "[ . 1 . 2]" 1
260 1 23 LEU H 1 23 LEU MD1 . . 5.500 4.126 3.504 4.333 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU H 1 23 LEU MD2 . . 5.500 4.061 2.211 4.269 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU H 1 24 GLY H . . 3.400 3.440 1.983 3.887 0.487 20 0 "[ . 1 . 2]" 1
263 1 23 LEU H 1 24 GLY HA2 . . 5.470 5.192 4.610 5.564 0.094 16 0 "[ . 1 . 2]" 1
264 1 23 LEU H 1 28 VAL MG1 . . 5.500 4.498 4.193 4.876 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU HA 1 23 LEU MD1 . . 4.800 2.978 2.434 4.098 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU HA 1 24 GLY H . . 3.520 2.396 2.155 3.529 0.009 13 0 "[ . 1 . 2]" 1
267 1 23 LEU QB 1 24 GLY H . . 3.900 3.783 2.616 3.999 0.099 12 0 "[ . 1 . 2]" 1
268 1 23 LEU MD2 1 24 GLY H . . 5.500 3.659 2.373 4.791 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU MD2 1 24 GLY HA3 . . 5.500 5.289 3.640 6.334 0.834 19 1 "[ . 1 . +2]" 1
270 1 24 GLY H 1 25 THR H . . 3.920 3.077 2.452 3.861 . 0 0 "[ . 1 . 2]" 1
271 1 24 GLY HA2 1 26 SER H . . 3.870 3.400 3.096 3.769 . 0 0 "[ . 1 . 2]" 1
272 1 24 GLY HA3 1 26 SER H . . 5.090 4.097 3.259 4.503 . 0 0 "[ . 1 . 2]" 1
273 1 24 GLY HA3 1 27 ILE H . . 4.450 3.833 3.385 4.335 . 0 0 "[ . 1 . 2]" 1
274 1 24 GLY HA3 1 27 ILE HB . . 4.660 3.083 2.369 4.470 . 0 0 "[ . 1 . 2]" 1
275 1 24 GLY HA3 1 27 ILE MD . . 5.500 2.508 1.952 3.908 . 0 0 "[ . 1 . 2]" 1
276 1 25 THR H 1 25 THR HB . . 3.630 2.661 2.463 3.141 . 0 0 "[ . 1 . 2]" 1
277 1 25 THR H 1 28 VAL HB . . 5.500 7.357 6.845 7.680 2.180 8 20 [*******+-***********] 1
278 1 25 THR H 1 28 VAL MG1 . . 5.110 4.729 4.305 4.841 . 0 0 "[ . 1 . 2]" 1
279 1 25 THR HA 1 27 ILE H . . 3.900 3.625 3.350 3.901 0.001 16 0 "[ . 1 . 2]" 1
280 1 25 THR HA 1 28 VAL H . . 4.030 3.642 3.017 3.860 . 0 0 "[ . 1 . 2]" 1
281 1 25 THR HA 1 28 VAL HB . . 3.510 5.129 4.569 5.628 2.118 1 20 [+**************-****] 1
282 1 25 THR HA 1 28 VAL MG1 . . 3.630 3.475 2.735 3.841 0.211 18 0 "[ . 1 . 2]" 1
283 1 25 THR HA 1 29 ASP H . . 4.410 4.585 3.888 5.082 0.672 14 3 "[ . - 1 +.* 2]" 1
284 1 25 THR HB 1 26 SER H . . 3.820 4.065 3.966 4.237 0.417 14 0 "[ . 1 . 2]" 1
285 1 25 THR MG 1 26 SER H . . 5.500 2.212 1.927 2.681 . 0 0 "[ . 1 . 2]" 1
286 1 25 THR MG 1 27 ILE H . . 5.500 4.208 4.041 4.419 . 0 0 "[ . 1 . 2]" 1
287 1 25 THR MG 1 28 VAL H . . 5.500 5.298 4.942 5.443 . 0 0 "[ . 1 . 2]" 1
288 1 25 THR MG 1 28 VAL HB . . 5.060 7.292 6.681 7.686 2.626 1 20 [+************-******] 1
289 1 25 THR MG 1 29 ASP H . . 5.500 5.772 4.939 6.020 0.520 17 3 "[ . * 1 . + -2]" 1
290 1 25 THR MG 1 29 ASP QB . . 5.340 5.424 4.191 5.973 0.633 17 5 "[ . -* 1 * + *2]" 1
291 1 26 SER H 1 26 SER QB . . 3.500 2.562 2.232 2.943 . 0 0 "[ . 1 . 2]" 1
292 1 26 SER H 1 27 ILE HB . . 5.500 4.667 4.420 5.062 . 0 0 "[ . 1 . 2]" 1
293 1 26 SER H 1 27 ILE MD . . 5.500 2.772 2.376 3.554 . 0 0 "[ . 1 . 2]" 1
294 1 26 SER H 1 29 ASP QB . . 5.300 5.769 4.887 6.458 1.158 17 7 "[ .*** 1 **+ -]" 1
295 1 26 SER HA 1 27 ILE HA . . 4.870 4.503 4.403 4.619 . 0 0 "[ . 1 . 2]" 1
296 1 26 SER HA 1 28 VAL H . . 5.090 4.620 4.173 4.900 . 0 0 "[ . 1 . 2]" 1
297 1 26 SER QB 1 27 ILE H . . 4.100 3.627 3.100 4.001 . 0 0 "[ . 1 . 2]" 1
298 1 26 SER HB2 1 27 ILE H . . 4.820 3.991 3.200 4.512 . 0 0 "[ . 1 . 2]" 1
299 1 26 SER HB3 1 27 ILE H . . 4.820 4.297 3.267 4.645 . 0 0 "[ . 1 . 2]" 1
300 1 27 ILE H 1 27 ILE HB . . 3.200 2.737 2.542 2.934 . 0 0 "[ . 1 . 2]" 1
301 1 27 ILE H 1 27 ILE MD . . 4.910 2.413 1.910 2.874 . 0 0 "[ . 1 . 2]" 1
302 1 27 ILE H 1 27 ILE HG12 . . 4.130 3.901 2.108 4.581 0.451 18 0 "[ . 1 . 2]" 1
303 1 27 ILE H 1 27 ILE QG . . 3.410 3.061 2.096 3.463 0.053 7 0 "[ . 1 . 2]" 1
304 1 27 ILE H 1 27 ILE HG13 . . 4.130 3.476 2.949 3.704 . 0 0 "[ . 1 . 2]" 1
305 1 27 ILE H 1 28 VAL H . . 3.240 2.040 1.877 2.285 . 0 0 "[ . 1 . 2]" 1
306 1 27 ILE H 1 28 VAL HB . . 4.860 5.559 5.301 5.790 0.930 13 17 "[****** -****+*.* ***]" 1
307 1 27 ILE H 1 28 VAL MG1 . . 5.170 3.787 3.452 4.007 . 0 0 "[ . 1 . 2]" 1
308 1 27 ILE HA 1 27 ILE HG12 . . 3.920 3.485 3.407 3.569 . 0 0 "[ . 1 . 2]" 1
309 1 27 ILE HA 1 27 ILE QG . . 3.420 2.513 2.292 3.200 . 0 0 "[ . 1 . 2]" 1
310 1 27 ILE HA 1 27 ILE HG13 . . 3.920 2.677 2.323 3.874 . 0 0 "[ . 1 . 2]" 1
311 1 27 ILE HA 1 29 ASP H . . 3.880 3.923 3.485 4.171 0.291 4 0 "[ . 1 . 2]" 1
312 1 27 ILE HA 1 30 ILE H . . 4.580 3.926 3.574 4.082 . 0 0 "[ . 1 . 2]" 1
313 1 27 ILE HA 1 30 ILE HB . . 4.720 2.905 2.450 3.130 . 0 0 "[ . 1 . 2]" 1
314 1 27 ILE HA 1 30 ILE MD . . 3.890 4.511 3.858 4.918 1.028 13 14 "[**-*** *** +*. ***]" 1
315 1 27 ILE HA 1 30 ILE HG12 . . 5.500 3.158 2.456 3.646 . 0 0 "[ . 1 . 2]" 1
316 1 27 ILE HA 1 30 ILE HG13 . . 5.500 3.259 2.463 3.823 . 0 0 "[ . 1 . 2]" 1
317 1 27 ILE HB 1 28 VAL H . . 3.630 2.640 2.343 3.049 . 0 0 "[ . 1 . 2]" 1
318 1 27 ILE QG 1 28 VAL H . . 5.170 4.144 3.347 4.487 . 0 0 "[ . 1 . 2]" 1
319 1 27 ILE MG 1 28 VAL H . . 5.500 3.642 3.412 3.841 . 0 0 "[ . 1 . 2]" 1
320 1 28 VAL H 1 28 VAL HB . . 3.810 3.623 3.600 3.669 . 0 0 "[ . 1 . 2]" 1
321 1 28 VAL H 1 28 VAL MG1 . . 3.320 2.347 2.038 2.624 . 0 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 29 ASP H . . 3.190 2.559 2.336 2.706 . 0 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 29 ASP HA . . 5.500 5.191 4.971 5.322 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL HA 1 28 VAL MG1 . . 3.020 2.282 2.166 2.376 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL HA 1 30 ILE H . . 4.810 3.589 3.465 3.854 . 0 0 "[ . 1 . 2]" 1
326 1 28 VAL HA 1 31 VAL H . . 4.100 3.793 3.412 4.091 . 0 0 "[ . 1 . 2]" 1
327 1 28 VAL HA 1 31 VAL HB . . 4.760 5.155 4.223 5.955 1.195 18 10 "[ * ** -* *. *+**]" 1
328 1 28 VAL HA 1 31 VAL QG . . 3.380 2.574 2.167 2.943 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL HA 1 32 ALA H . . 4.670 4.509 4.161 4.765 0.095 16 0 "[ . 1 . 2]" 1
330 1 28 VAL HA 1 32 ALA MB . . 5.500 4.502 3.985 4.811 . 0 0 "[ . 1 . 2]" 1
331 1 28 VAL HB 1 29 ASP H . . 3.580 4.031 3.821 4.413 0.833 14 4 "[ . -* *+. 2]" 1
332 1 28 VAL MG2 1 29 ASP H . . 5.500 2.281 1.971 2.978 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL MG2 1 29 ASP HA . . 5.500 3.605 3.345 3.912 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL MG2 1 32 ALA MB . . 5.470 5.038 4.597 5.433 . 0 0 "[ . 1 . 2]" 1
335 1 29 ASP H 1 29 ASP QB . . 3.220 2.526 2.282 2.747 . 0 0 "[ . 1 . 2]" 1
336 1 29 ASP H 1 30 ILE MD . . 5.500 4.456 4.121 4.733 . 0 0 "[ . 1 . 2]" 1
337 1 29 ASP HA 1 32 ALA H . . 4.220 3.906 3.582 4.060 . 0 0 "[ . 1 . 2]" 1
338 1 29 ASP HA 1 32 ALA MB . . 4.250 3.794 3.365 3.865 . 0 0 "[ . 1 . 2]" 1
339 1 29 ASP HA 1 33 ASN H . . 3.570 3.014 2.910 3.107 . 0 0 "[ . 1 . 2]" 1
340 1 29 ASP HA 1 33 ASN HB2 . . 2.980 2.153 1.998 2.472 . 0 0 "[ . 1 . 2]" 1
341 1 29 ASP QB 1 30 ILE H . . 4.480 3.787 3.531 4.025 . 0 0 "[ . 1 . 2]" 1
342 1 29 ASP QB 1 33 ASN HB2 . . 2.780 2.885 2.676 3.144 0.364 11 0 "[ . 1 . 2]" 1
343 1 29 ASP HB2 1 30 ILE H . . 5.270 4.128 3.712 4.555 . 0 0 "[ . 1 . 2]" 1
344 1 29 ASP HB3 1 30 ILE H . . 5.270 4.444 4.312 4.498 . 0 0 "[ . 1 . 2]" 1
345 1 30 ILE H 1 30 ILE HB . . 3.280 2.677 2.542 2.739 . 0 0 "[ . 1 . 2]" 1
346 1 30 ILE H 1 30 ILE MD . . 5.500 3.789 3.649 3.881 . 0 0 "[ . 1 . 2]" 1
347 1 30 ILE H 1 30 ILE HG12 . . 4.970 2.921 2.805 3.001 . 0 0 "[ . 1 . 2]" 1
348 1 30 ILE H 1 30 ILE QG . . 4.320 2.871 2.758 2.946 . 0 0 "[ . 1 . 2]" 1
349 1 30 ILE H 1 30 ILE HG13 . . 4.970 4.233 4.076 4.300 . 0 0 "[ . 1 . 2]" 1
350 1 30 ILE H 1 30 ILE MG . . 4.490 3.861 3.804 3.895 . 0 0 "[ . 1 . 2]" 1
351 1 30 ILE H 1 31 VAL H . . 3.270 1.933 1.893 2.028 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE H 1 31 VAL HA . . 5.500 4.642 4.596 4.731 . 0 0 "[ . 1 . 2]" 1
353 1 30 ILE H 1 31 VAL QG . . 4.930 3.016 2.891 3.124 . 0 0 "[ . 1 . 2]" 1
354 1 30 ILE H 1 33 ASN HB3 . . 5.500 5.212 4.671 5.629 0.129 3 0 "[ . 1 . 2]" 1
355 1 30 ILE HA 1 30 ILE MG . . 3.560 2.332 2.262 2.355 . 0 0 "[ . 1 . 2]" 1
356 1 30 ILE HA 1 32 ALA H . . 5.490 4.173 4.078 4.265 . 0 0 "[ . 1 . 2]" 1
357 1 30 ILE HA 1 33 ASN H . . 4.220 3.804 3.711 3.900 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE HA 1 33 ASN HB2 . . 4.370 4.157 3.818 4.552 0.182 17 0 "[ . 1 . 2]" 1
359 1 30 ILE HA 1 33 ASN HB3 . . 4.810 4.241 3.803 4.548 . 0 0 "[ . 1 . 2]" 1
360 1 30 ILE HA 1 34 GLY H . . 4.530 1.987 1.937 2.182 . 0 0 "[ . 1 . 2]" 1
361 1 30 ILE HB 1 31 VAL H . . 3.590 2.687 2.504 2.948 . 0 0 "[ . 1 . 2]" 1
362 1 30 ILE MD 1 31 VAL H . . 5.500 4.645 4.584 4.719 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE QG 1 33 ASN HB2 . . 5.340 5.382 5.132 5.785 0.445 17 0 "[ . 1 . 2]" 1
364 1 30 ILE MG 1 31 VAL H . . 3.830 3.547 3.407 3.733 . 0 0 "[ . 1 . 2]" 1
365 1 31 VAL H 1 31 VAL HB . . 3.220 3.151 2.584 3.664 0.444 17 0 "[ . 1 . 2]" 1
366 1 31 VAL H 1 31 VAL QG . . 2.400 1.925 1.834 2.048 . 0 0 "[ . 1 . 2]" 1
367 1 31 VAL H 1 32 ALA H . . 3.350 2.407 2.249 2.505 . 0 0 "[ . 1 . 2]" 1
368 1 31 VAL H 1 32 ALA MB . . 5.500 4.231 4.076 4.294 . 0 0 "[ . 1 . 2]" 1
369 1 31 VAL HA 1 33 ASN H . . 5.370 4.955 4.769 5.071 . 0 0 "[ . 1 . 2]" 1
370 1 31 VAL HA 1 34 GLY QA . . 4.990 5.270 5.177 5.300 0.310 7 0 "[ . 1 . 2]" 1
371 1 31 VAL HB 1 32 ALA H . . 4.110 4.042 3.890 4.172 0.062 9 0 "[ . 1 . 2]" 1
372 1 31 VAL QG 1 32 ALA H . . 4.270 2.260 2.078 2.401 . 0 0 "[ . 1 . 2]" 1
373 1 31 VAL QG 1 32 ALA HA . . 3.900 3.494 3.291 3.774 . 0 0 "[ . 1 . 2]" 1
374 1 31 VAL QG 1 32 ALA MB . . 3.240 2.579 2.428 2.743 . 0 0 "[ . 1 . 2]" 1
375 1 31 VAL QG 1 33 ASN H . . 5.110 3.862 3.773 4.001 . 0 0 "[ . 1 . 2]" 1
376 1 32 ALA H 1 32 ALA MB . . 3.270 2.435 2.403 2.483 . 0 0 "[ . 1 . 2]" 1
377 1 32 ALA H 1 33 ASN H . . 3.350 2.017 1.940 2.094 . 0 0 "[ . 1 . 2]" 1
378 1 32 ALA H 1 33 ASN HB3 . . 5.500 5.252 4.932 5.505 0.005 3 0 "[ . 1 . 2]" 1
379 1 32 ALA H 1 34 GLY QA . . 5.440 5.111 4.950 5.156 . 0 0 "[ . 1 . 2]" 1
380 1 32 ALA HA 1 35 VAL MG1 . . 5.500 2.189 1.981 2.442 . 0 0 "[ . 1 . 2]" 1
381 1 32 ALA MB 1 33 ASN H . . 3.410 2.605 2.531 2.729 . 0 0 "[ . 1 . 2]" 1
382 1 32 ALA MB 1 33 ASN HA . . 5.500 3.915 3.848 3.965 . 0 0 "[ . 1 . 2]" 1
383 1 32 ALA MB 1 33 ASN HB2 . . 5.370 3.821 3.619 3.996 . 0 0 "[ . 1 . 2]" 1
384 1 32 ALA MB 1 33 ASN QD . . 5.340 4.755 2.716 5.700 0.360 11 0 "[ . 1 . 2]" 1
385 1 32 ALA MB 1 34 GLY H . . 5.500 4.780 4.609 4.848 . 0 0 "[ . 1 . 2]" 1
386 1 33 ASN H 1 33 ASN HB2 . . 3.190 2.218 2.156 2.288 . 0 0 "[ . 1 . 2]" 1
387 1 33 ASN H 1 33 ASN HB3 . . 3.670 3.341 3.067 3.498 . 0 0 "[ . 1 . 2]" 1
388 1 33 ASN H 1 33 ASN QD . . 4.190 4.314 3.055 4.820 0.630 8 6 "[ .- +*1* . ** 2]" 1
389 1 33 ASN H 1 34 GLY H . . 3.180 2.515 2.391 2.620 . 0 0 "[ . 1 . 2]" 1
390 1 33 ASN H 1 35 VAL MG1 . . 5.500 3.737 3.590 3.909 . 0 0 "[ . 1 . 2]" 1
391 1 33 ASN HA 1 35 VAL H . . 4.100 4.081 4.004 4.105 0.005 7 0 "[ . 1 . 2]" 1
392 1 33 ASN HA 1 36 GLY H . . 5.500 3.856 3.608 4.218 . 0 0 "[ . 1 . 2]" 1
393 1 33 ASN HB2 1 34 GLY H . . 4.230 2.752 2.464 3.102 . 0 0 "[ . 1 . 2]" 1
394 1 33 ASN HB2 1 34 GLY QA . . 5.500 4.408 4.166 4.729 . 0 0 "[ . 1 . 2]" 1
395 1 33 ASN HB3 1 34 GLY H . . 4.410 2.639 2.260 2.931 . 0 0 "[ . 1 . 2]" 1
396 1 33 ASN HB3 1 34 GLY QA . . 5.500 3.596 3.472 3.689 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLY QA 1 35 VAL MG1 . . 5.090 4.315 4.231 4.368 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLY QA 1 36 GLY H . . 4.850 3.518 3.339 3.702 . 0 0 "[ . 1 . 2]" 1
399 1 34 GLY QA 1 37 LEU QB . . 3.980 3.560 3.054 3.957 . 0 0 "[ . 1 . 2]" 1
400 1 35 VAL H 1 35 VAL HB . . 3.640 2.447 2.413 2.490 . 0 0 "[ . 1 . 2]" 1
401 1 35 VAL H 1 35 VAL MG1 . . 4.320 2.310 2.192 2.413 . 0 0 "[ . 1 . 2]" 1
402 1 35 VAL H 1 36 GLY H . . 3.310 2.651 2.587 2.767 . 0 0 "[ . 1 . 2]" 1
403 1 35 VAL HA 1 38 LEU H . . 3.490 3.261 3.035 3.359 . 0 0 "[ . 1 . 2]" 1
404 1 35 VAL HA 1 38 LEU QB . . 4.090 3.643 2.001 4.105 0.015 17 0 "[ . 1 . 2]" 1
405 1 35 VAL HA 1 38 LEU MD2 . . 3.800 2.057 1.930 3.294 . 0 0 "[ . 1 . 2]" 1
406 1 35 VAL HB 1 36 GLY H . . 3.970 4.042 3.964 4.110 0.140 13 0 "[ . 1 . 2]" 1
407 1 35 VAL MG1 1 36 GLY H . . 5.420 2.181 1.973 2.469 . 0 0 "[ . 1 . 2]" 1
408 1 35 VAL MG2 1 36 GLY H . . 5.500 3.949 3.831 4.016 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLY H 1 37 LEU H . . 3.300 2.659 2.582 2.852 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLY H 1 37 LEU HA . . 5.500 5.209 5.115 5.430 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLY QA 1 37 LEU H . . 3.130 2.873 2.711 2.915 . 0 0 "[ . 1 . 2]" 1
412 1 37 LEU H 1 37 LEU QB . . 2.920 2.243 2.151 2.423 . 0 0 "[ . 1 . 2]" 1
413 1 37 LEU H 1 37 LEU MD1 . . 5.500 3.174 2.029 4.152 . 0 0 "[ . 1 . 2]" 1
414 1 37 LEU H 1 37 LEU MD2 . . 5.500 4.128 3.499 4.450 . 0 0 "[ . 1 . 2]" 1
415 1 37 LEU H 1 37 LEU HG . . 4.510 3.640 2.562 4.492 . 0 0 "[ . 1 . 2]" 1
416 1 37 LEU H 1 38 LEU H . . 3.130 2.294 2.137 2.417 . 0 0 "[ . 1 . 2]" 1
417 1 37 LEU HA 1 37 LEU MD1 . . 4.780 3.306 2.548 3.919 . 0 0 "[ . 1 . 2]" 1
418 1 37 LEU HA 1 39 GLY H . . 5.500 4.236 3.857 4.772 . 0 0 "[ . 1 . 2]" 1
419 1 37 LEU QB 1 38 LEU H . . 3.400 2.804 2.665 3.095 . 0 0 "[ . 1 . 2]" 1
420 1 37 LEU QB 1 38 LEU HA . . 5.340 3.994 3.889 4.098 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU HG 1 38 LEU H . . 5.500 4.886 4.404 5.181 . 0 0 "[ . 1 . 2]" 1
422 1 38 LEU H 1 38 LEU HB2 . . 3.650 3.450 2.274 3.708 0.058 2 0 "[ . 1 . 2]" 1
423 1 38 LEU H 1 38 LEU QB . . 3.090 2.422 2.076 2.686 . 0 0 "[ . 1 . 2]" 1
424 1 38 LEU H 1 38 LEU HB3 . . 3.650 2.595 2.112 3.557 . 0 0 "[ . 1 . 2]" 1
425 1 38 LEU H 1 38 LEU MD1 . . 5.500 3.968 3.408 4.254 . 0 0 "[ . 1 . 2]" 1
426 1 38 LEU H 1 38 LEU MD2 . . 4.940 2.513 1.917 4.054 . 0 0 "[ . 1 . 2]" 1
427 1 38 LEU H 1 38 LEU HG . . 4.030 3.503 1.988 4.456 0.426 16 0 "[ . 1 . 2]" 1
428 1 38 LEU H 1 39 GLY H . . 3.380 2.261 2.071 2.693 . 0 0 "[ . 1 . 2]" 1
429 1 38 LEU HA 1 38 LEU MD1 . . 4.170 3.588 2.050 4.064 . 0 0 "[ . 1 . 2]" 1
430 1 38 LEU HA 1 38 LEU HG . . 3.840 3.560 2.709 3.698 . 0 0 "[ . 1 . 2]" 1
431 1 38 LEU HA 1 42 PHE QD . . 4.720 3.406 2.567 4.446 . 0 0 "[ . 1 . 2]" 1
432 1 38 LEU HA 1 42 PHE HE2 . . 5.500 4.161 3.415 5.260 . 0 0 "[ . 1 . 2]" 1
433 1 38 LEU QB 1 38 LEU HG . . 2.600 2.386 2.167 2.515 . 0 0 "[ . 1 . 2]" 1
434 1 38 LEU QB 1 39 GLY H . . 4.050 3.483 2.403 3.779 . 0 0 "[ . 1 . 2]" 1
435 1 38 LEU QB 1 42 PHE HE2 . . 5.340 3.210 2.216 5.273 . 0 0 "[ . 1 . 2]" 1
436 1 38 LEU HB2 1 42 PHE QD . . 5.500 3.103 2.009 5.021 . 0 0 "[ . 1 . 2]" 1
437 1 38 LEU HB3 1 42 PHE QD . . 5.500 4.309 3.480 5.459 . 0 0 "[ . 1 . 2]" 1
438 1 38 LEU MD1 1 42 PHE QD . . 4.960 2.873 2.052 3.590 . 0 0 "[ . 1 . 2]" 1
439 1 38 LEU MD1 1 42 PHE HE2 . . 4.800 3.350 2.492 3.857 . 0 0 "[ . 1 . 2]" 1
440 1 38 LEU MD2 1 39 GLY H . . 5.500 3.174 2.386 4.217 . 0 0 "[ . 1 . 2]" 1
441 1 38 LEU MD2 1 42 PHE QD . . 5.500 4.305 3.708 4.849 . 0 0 "[ . 1 . 2]" 1
442 1 38 LEU MD2 1 42 PHE HE2 . . 5.500 4.925 3.934 5.502 0.002 16 0 "[ . 1 . 2]" 1
443 1 38 LEU HG 1 39 GLY H . . 4.590 3.485 2.254 4.906 0.316 20 0 "[ . 1 . 2]" 1
444 1 38 LEU HG 1 42 PHE QD . . 5.500 3.549 2.043 4.987 . 0 0 "[ . 1 . 2]" 1
445 1 38 LEU HG 1 42 PHE HE2 . . 5.500 4.776 3.663 5.505 0.005 10 0 "[ . 1 . 2]" 1
446 1 39 GLY H 1 39 GLY QA . . 2.570 2.198 2.190 2.230 . 0 0 "[ . 1 . 2]" 1
447 1 39 GLY H 1 40 LYS H . . 3.510 2.732 2.439 3.168 . 0 0 "[ . 1 . 2]" 1
448 1 39 GLY H 1 40 LYS HA . . 5.500 5.319 5.086 5.596 0.096 19 0 "[ . 1 . 2]" 1
449 1 39 GLY QA 1 42 PHE H . . 4.820 3.759 3.394 4.184 . 0 0 "[ . 1 . 2]" 1
450 1 39 GLY QA 1 43 GLY H . . 4.330 2.809 1.938 3.369 . 0 0 "[ . 1 . 2]" 1
451 1 39 GLY QA 1 44 PHE H . . 4.720 3.085 1.934 4.673 . 0 0 "[ . 1 . 2]" 1
452 1 39 GLY HA2 1 42 PHE H . . 5.500 3.874 3.480 4.346 . 0 0 "[ . 1 . 2]" 1
453 1 39 GLY HA2 1 43 GLY H . . 5.040 2.844 1.945 3.424 . 0 0 "[ . 1 . 2]" 1
454 1 39 GLY HA3 1 42 PHE H . . 5.500 5.088 4.714 5.509 0.009 20 0 "[ . 1 . 2]" 1
455 1 39 GLY HA3 1 43 GLY H . . 5.040 4.405 3.694 5.007 . 0 0 "[ . 1 . 2]" 1
456 1 40 LYS H 1 40 LYS HB2 . . 3.990 2.728 2.060 3.706 . 0 0 "[ . 1 . 2]" 1
457 1 40 LYS H 1 40 LYS QB . . 3.390 2.375 2.039 2.757 . 0 0 "[ . 1 . 2]" 1
458 1 40 LYS H 1 40 LYS HB3 . . 3.990 3.167 2.541 3.676 . 0 0 "[ . 1 . 2]" 1
459 1 40 LYS H 1 40 LYS HG2 . . 4.920 3.129 1.973 4.651 . 0 0 "[ . 1 . 2]" 1
460 1 40 LYS H 1 40 LYS QG . . 4.210 2.778 1.958 4.014 . 0 0 "[ . 1 . 2]" 1
461 1 40 LYS H 1 40 LYS HG3 . . 4.920 3.525 2.160 4.587 . 0 0 "[ . 1 . 2]" 1
462 1 40 LYS H 1 41 LEU H . . 3.280 2.393 2.056 2.761 . 0 0 "[ . 1 . 2]" 1
463 1 40 LYS QB 1 41 LEU H . . 4.250 3.029 2.328 3.600 . 0 0 "[ . 1 . 2]" 1
464 1 40 LYS QB 1 41 LEU HA . . 4.760 4.095 3.852 4.504 . 0 0 "[ . 1 . 2]" 1
465 1 40 LYS QD 1 41 LEU H . . 5.500 4.685 3.057 5.509 0.009 2 0 "[ . 1 . 2]" 1
466 1 41 LEU H 1 41 LEU QB . . 3.220 2.178 2.085 2.277 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU H 1 41 LEU MD2 . . 4.570 4.173 3.933 4.344 . 0 0 "[ . 1 . 2]" 1
468 1 41 LEU H 1 41 LEU HG . . 4.460 3.627 2.796 4.520 0.060 10 0 "[ . 1 . 2]" 1
469 1 41 LEU H 1 42 PHE H . . 3.190 2.565 2.379 2.777 . 0 0 "[ . 1 . 2]" 1
470 1 41 LEU HA 1 41 LEU MD2 . . 4.800 2.649 1.992 3.431 . 0 0 "[ . 1 . 2]" 1
471 1 41 LEU HA 1 41 LEU HG . . 3.040 2.476 2.227 2.678 . 0 0 "[ . 1 . 2]" 1
472 1 41 LEU QB 1 41 LEU MD2 . . 2.670 2.187 2.082 2.301 . 0 0 "[ . 1 . 2]" 1
473 1 41 LEU QB 1 42 PHE H . . 4.410 2.489 2.068 2.890 . 0 0 "[ . 1 . 2]" 1
474 1 41 LEU QB 1 42 PHE QD . . 5.340 2.380 2.056 2.596 . 0 0 "[ . 1 . 2]" 1
475 1 41 LEU QB 1 42 PHE HE2 . . 5.340 3.046 2.703 3.562 . 0 0 "[ . 1 . 2]" 1
476 1 41 LEU MD2 1 42 PHE HE2 . . 5.500 3.628 2.733 4.541 . 0 0 "[ . 1 . 2]" 1
477 1 41 LEU HG 1 42 PHE H . . 4.900 4.714 4.324 4.904 0.004 1 0 "[ . 1 . 2]" 1
478 1 41 LEU HG 1 42 PHE QD . . 5.500 5.070 4.726 5.264 . 0 0 "[ . 1 . 2]" 1
479 1 41 LEU HG 1 42 PHE HE2 . . 5.500 5.442 5.187 5.504 0.004 5 0 "[ . 1 . 2]" 1
480 1 42 PHE H 1 42 PHE QB . . 3.290 2.453 2.312 2.593 . 0 0 "[ . 1 . 2]" 1
481 1 42 PHE H 1 42 PHE QD . . 4.440 2.239 1.974 2.536 . 0 0 "[ . 1 . 2]" 1
482 1 42 PHE H 1 43 GLY H . . 3.330 2.676 2.511 2.939 . 0 0 "[ . 1 . 2]" 1
483 1 42 PHE HA 1 42 PHE HE1 . . 5.500 5.136 5.083 5.227 . 0 0 "[ . 1 . 2]" 1
484 1 42 PHE HA 1 42 PHE HE2 . . 5.500 5.443 5.175 5.510 0.010 10 0 "[ . 1 . 2]" 1
485 1 42 PHE QB 1 44 PHE H . . 4.880 3.494 2.624 4.731 . 0 0 "[ . 1 . 2]" 1
486 1 42 PHE HB2 1 44 PHE HD2 . . 5.500 3.723 2.563 4.266 . 0 0 "[ . 1 . 2]" 1
487 1 42 PHE HB3 1 44 PHE HD2 . . 5.500 4.785 3.030 5.506 0.006 20 0 "[ . 1 . 2]" 1
488 1 43 GLY H 1 43 GLY QA . . 2.510 2.369 2.228 2.495 . 0 0 "[ . 1 . 2]" 1
489 1 43 GLY H 1 44 PHE HD2 . . 4.410 3.863 3.241 4.417 0.007 1 0 "[ . 1 . 2]" 1
490 1 44 PHE H 1 44 PHE QB . . 3.660 2.539 2.108 3.402 . 0 0 "[ . 1 . 2]" 1
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