NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520597 |
2la2   |
17500 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2la2
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 475
_Distance_constraint_stats_list.Viol_count 2237
_Distance_constraint_stats_list.Viol_total 42754.957
_Distance_constraint_stats_list.Viol_max 6.045
_Distance_constraint_stats_list.Viol_rms 0.6475
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2250
_Distance_constraint_stats_list.Viol_average_violations_only 0.9556
_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 1 ARG 48.707 5.152 6 17 "[*****+* *****.**-**]"
1 2 TRP 197.917 4.858 7 20 [****-*+*************]
1 3 LYS 131.461 4.858 7 20 [******+**-**********]
1 4 ILE 391.667 4.525 12 20 [*****-*****+********]
1 5 PHE 413.608 5.152 6 20 [*****+**************]
1 6 LYS 149.593 3.019 16 20 [*********-*****+****]
1 7 LYS 60.958 1.447 16 20 [*****-*********+****]
1 8 ILE 393.285 4.066 15 20 [**********-***+*****]
1 9 GLU 65.796 3.019 16 19 "[*********-** **+****]"
1 10 LYS 115.588 2.162 3 20 [**+***********-*****]
1 11 VAL 46.834 2.162 3 15 "[ *+** ***1*** -****2]"
1 12 GLY 45.181 2.305 7 20 [******+*************]
1 13 ARG 43.512 1.433 13 19 "[****** **-**+*******]"
1 14 ASN 61.768 1.952 14 20 [****-********+******]
1 15 VAL 96.980 2.305 7 20 [******+*********-***]
1 16 ARG 100.523 2.808 6 20 [*****+**********-***]
1 17 ASP 67.560 1.953 7 20 [******+***********-*]
1 18 GLY 9.214 0.565 19 2 "[ - 1 . +2]"
1 19 ILE 80.029 2.808 6 19 "[**-**+************ *]"
1 20 ILE 196.715 4.734 11 20 [**********+*******-*]
1 21 LYS 194.114 4.734 11 20 [****-*****+*********]
1 22 ALA 256.850 6.045 8 20 [*******+********-***]
1 23 GLY 55.786 3.728 8 16 "[*** ***+**-** * ** *]"
1 24 PRO 99.866 3.012 8 18 "[*******+**- * ******]"
1 25 ALA 26.789 1.195 5 17 "[****+ ****** **-* **]"
1 26 VAL 23.663 1.085 18 20 [-****************+**]
1 27 ALA 110.584 2.503 5 20 [**-*+***************]
1 28 VAL 364.536 6.045 8 20 [*******+***-********]
1 29 VAL 48.208 2.444 14 20 [-************+******]
1 30 GLY 101.195 2.321 3 20 [**+********-********]
1 31 GLN 21.252 1.040 5 8 "[ * +** 1* .- **]"
1 32 ALA 56.876 2.321 3 20 [**+************-****]
1 33 ALA 9.448 0.324 20 0 "[ . 1 . 2]"
1 34 THR 66.930 1.726 12 20 [***********+*******-]
1 35 VAL 10.637 0.460 3 0 "[ . 1 . 2]"
1 36 VAL 31.882 1.215 3 20 [**+****************-]
1 37 LYS 39.773 1.726 12 20 [*-*********+********]
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 1 ARG QB 1 5 PHE QE . . 4.420 6.655 2.108 9.572 5.152 6 17 "[*****+* *****.**-**]" 1
2 1 1 ARG HB3 1 1 ARG QD . . 3.450 2.731 2.062 3.293 . 0 0 "[ . 1 . 2]" 1
3 1 2 TRP HA 1 2 TRP HD1 . . 4.290 3.185 2.251 4.447 0.157 3 0 "[ . 1 . 2]" 1
4 1 2 TRP HA 1 2 TRP HE1 . . 4.760 4.986 4.488 6.313 1.553 18 4 "[ * . 1 - . *+ 2]" 1
5 1 2 TRP HA 1 3 LYS H . . 4.880 2.954 2.154 3.570 . 0 0 "[ . 1 . 2]" 1
6 1 2 TRP QB 1 2 TRP HZ3 . . 5.020 4.737 4.633 5.033 0.013 12 0 "[ . 1 . 2]" 1
7 1 2 TRP QB 1 4 ILE MD . . 4.570 5.721 3.296 7.615 3.045 14 17 "[* **-** *****+* ****]" 1
8 1 2 TRP HD1 1 4 ILE MG . . 5.110 7.680 4.925 9.635 4.525 12 17 "[*********-*+* ** **2]" 1
9 1 2 TRP HZ2 1 3 LYS H . . 5.500 7.934 5.605 9.068 3.568 14 18 "[*-******** **+*** **]" 1
10 1 2 TRP HZ2 1 3 LYS QB . . 5.500 8.860 5.381 10.358 4.858 7 18 "[*-****+*** ****** **]" 1
11 1 3 LYS H 1 4 ILE H . . 5.270 3.055 2.929 3.207 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 3 LYS QE . . 5.140 4.167 2.680 4.754 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS HA 1 4 ILE H . . 4.260 3.567 3.555 3.571 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS HA 1 4 ILE HA . . 5.150 4.787 4.757 4.801 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS HA 1 6 LYS H . . 3.580 4.121 4.058 4.211 0.631 9 15 "[****. * +-** **** **]" 1
16 1 3 LYS QB 1 3 LYS QE . . 4.490 3.186 2.360 3.687 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS QB 1 4 ILE H . . 3.660 2.138 1.950 2.378 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS QG 1 4 ILE HA . . 5.200 5.026 3.249 5.768 0.568 3 5 "[ + . * 1-* . * 2]" 1
19 1 4 ILE H 1 4 ILE HB . . 3.620 2.674 2.559 3.615 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 4 ILE MD . . 4.260 2.970 1.936 4.399 0.139 17 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 4 ILE HG12 . . 4.760 3.225 1.951 4.527 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE H 1 4 ILE HG13 . . 4.760 2.952 1.950 4.447 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE H 1 4 ILE MG . . 4.030 3.411 1.982 3.766 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE H 1 5 PHE H . . 4.310 2.873 2.774 2.931 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE H 1 6 LYS H . . 4.400 4.754 4.557 5.018 0.618 9 4 "[ . +1 *. * -]" 1
26 1 4 ILE HA 1 4 ILE MD . . 3.550 3.221 1.992 3.870 0.320 16 0 "[ . 1 . 2]" 1
27 1 4 ILE HA 1 4 ILE MG . . 3.350 2.432 2.228 3.198 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE HA 1 5 PHE H . . 4.000 3.555 3.514 3.568 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE HA 1 7 LYS H . . 4.270 3.702 3.655 3.761 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE HA 1 7 LYS QB . . 4.120 2.430 2.189 2.582 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE HA 1 8 ILE H . . 3.860 3.503 3.271 3.610 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE HB 1 4 ILE MD . . 3.200 2.487 2.001 3.230 0.030 10 0 "[ . 1 . 2]" 1
33 1 4 ILE MD 1 4 ILE MG . . 3.020 2.479 1.997 3.059 0.039 9 0 "[ . 1 . 2]" 1
34 1 4 ILE MD 1 5 PHE H . . 3.750 4.058 2.644 4.765 1.015 14 9 "[ **. * ** +. - **]" 1
35 1 4 ILE MD 1 5 PHE HA . . 4.060 5.418 2.599 5.843 1.783 10 19 "[******** +******-***]" 1
36 1 4 ILE MD 1 5 PHE QB . . 4.430 5.242 3.229 6.029 1.599 7 13 "[ ***-+ ** **** **]" 1
37 1 4 ILE MD 1 5 PHE QD . . 3.970 5.533 2.438 7.044 3.074 4 17 "[ **+**** *******- **]" 1
38 1 4 ILE MD 1 6 LYS H . . 4.930 6.160 4.862 6.988 2.058 14 19 "[******** ****+***-**]" 1
39 1 4 ILE MD 1 7 LYS H . . 5.220 5.859 5.088 6.667 1.447 16 13 "[** ** * 1 ****+*- *]" 1
40 1 4 ILE MD 1 7 LYS QB . . 5.170 4.754 3.546 5.544 0.374 5 0 "[ . 1 . 2]" 1
41 1 4 ILE MD 1 8 ILE HB . . 4.490 6.130 3.970 7.018 2.528 13 16 "[******** ***+ ** *-2]" 1
42 1 4 ILE QG 1 8 ILE MG . . 4.300 6.220 3.949 6.838 2.538 10 17 "[********-+*** ** **2]" 1
43 1 4 ILE HG12 1 4 ILE MG . . 3.240 2.454 1.965 3.199 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MG 1 5 PHE H . . 3.760 3.158 2.082 3.928 0.168 9 0 "[ . 1 . 2]" 1
45 1 4 ILE MG 1 5 PHE QD . . 4.720 4.294 2.640 5.582 0.862 9 1 "[ . +1 . 2]" 1
46 1 4 ILE MG 1 5 PHE QE . . 4.150 5.585 3.980 6.887 2.737 9 16 "[-*******+1*** .* ***]" 1
47 1 4 ILE MG 1 5 PHE HZ . . 4.310 7.170 5.640 8.649 4.339 9 20 [********+****-******] 1
48 1 4 ILE MG 1 6 LYS H . . 4.600 5.260 4.613 6.080 1.480 9 17 "[****-***+**** ** **2]" 1
49 1 5 PHE H 1 5 PHE HB2 . . 3.990 2.200 2.069 2.444 . 0 0 "[ . 1 . 2]" 1
50 1 5 PHE H 1 5 PHE HB3 . . 3.990 3.175 2.635 3.586 . 0 0 "[ . 1 . 2]" 1
51 1 5 PHE H 1 5 PHE QD . . 3.940 3.411 2.422 4.172 0.232 20 0 "[ . 1 . 2]" 1
52 1 5 PHE H 1 6 LYS H . . 3.890 3.030 2.998 3.058 . 0 0 "[ . 1 . 2]" 1
53 1 5 PHE H 1 7 LYS H . . 3.940 4.102 3.858 4.278 0.338 3 0 "[ . 1 . 2]" 1
54 1 5 PHE HA 1 5 PHE QD . . 3.480 2.664 2.048 3.100 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE HA 1 6 LYS H . . 4.470 3.568 3.563 3.569 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE HA 1 7 LYS H . . 4.780 4.510 4.398 4.677 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE HA 1 8 ILE H . . 4.390 4.079 4.004 4.151 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE HA 1 8 ILE HB . . 5.020 3.368 3.240 3.622 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE HA 1 8 ILE MD . . 3.600 5.151 3.389 5.825 2.225 9 16 "[****.** +1**-**** **]" 1
60 1 5 PHE HA 1 8 ILE QG . . 4.470 4.065 3.854 4.318 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE HA 1 8 ILE MG . . 3.920 4.662 4.503 4.894 0.974 17 20 [**-*************+***] 1
62 1 5 PHE HA 1 9 GLU H . . 4.720 3.818 3.750 3.862 . 0 0 "[ . 1 . 2]" 1
63 1 5 PHE HB2 1 6 LYS H . . 4.480 2.956 2.180 3.569 . 0 0 "[ . 1 . 2]" 1
64 1 5 PHE HB3 1 6 LYS H . . 4.480 2.349 1.984 3.019 . 0 0 "[ . 1 . 2]" 1
65 1 5 PHE QD 1 8 ILE MD . . 4.510 6.365 4.101 7.294 2.784 20 16 "[****.** *1****-** *+]" 1
66 1 5 PHE QD 1 8 ILE QG . . 4.620 5.620 5.007 6.185 1.565 20 18 "[*-********* **.****+]" 1
67 1 5 PHE QD 1 8 ILE MG . . 4.690 5.581 4.986 6.191 1.501 17 17 "[** -.** ********+***]" 1
68 1 5 PHE HZ 1 8 ILE MG . . 4.410 7.573 7.054 8.476 4.066 15 20 [**-***********+*****] 1
69 1 6 LYS H 1 6 LYS QB . . 3.580 2.235 2.049 2.384 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS H 1 6 LYS QD . . 5.010 4.211 3.406 4.626 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS H 1 6 LYS QG . . 4.190 3.584 2.361 4.051 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS H 1 7 LYS H . . 4.350 2.796 2.701 2.841 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS H 1 8 ILE H . . 4.330 4.850 4.771 4.902 0.572 1 16 "[+ -*** ***********]" 1
74 1 6 LYS HA 1 6 LYS QD . . 3.970 3.455 2.089 4.133 0.163 17 0 "[ . 1 . 2]" 1
75 1 6 LYS HA 1 6 LYS QE . . 5.080 4.162 2.623 4.888 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HA 1 6 LYS QG . . 3.940 2.377 2.029 2.642 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS HA 1 7 LYS H . . 4.230 3.537 3.513 3.555 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HA 1 8 ILE MD . . 4.940 7.267 6.868 7.442 2.502 20 20 [****-**************+] 1
79 1 6 LYS HA 1 9 GLU H . . 3.810 3.797 3.729 3.864 0.054 6 0 "[ . 1 . 2]" 1
80 1 6 LYS HA 1 9 GLU HA . . 5.500 5.431 5.314 5.501 0.001 6 0 "[ . 1 . 2]" 1
81 1 6 LYS HA 1 9 GLU HB2 . . 4.620 3.281 2.405 3.822 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS HA 1 9 GLU QG . . 4.150 3.913 3.382 4.497 0.347 16 0 "[ . 1 . 2]" 1
83 1 6 LYS HA 1 10 LYS H . . 4.980 3.666 3.435 3.852 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS QD 1 9 GLU QG . . 4.220 5.948 3.827 7.239 3.019 16 18 "[ **********- **+****]" 1
85 1 6 LYS QG 1 7 LYS H . . 4.360 4.019 3.520 4.367 0.007 14 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 7 LYS QB . . 3.750 2.236 2.201 2.246 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 7 LYS QD . . 4.050 4.288 3.944 4.539 0.489 12 0 "[ . 1 . 2]" 1
88 1 7 LYS H 1 7 LYS QG . . 4.670 3.790 2.660 4.043 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS H 1 8 ILE H . . 3.940 2.995 2.933 3.044 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS H 1 9 GLU H . . 4.520 4.012 3.891 4.125 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 7 LYS QD . . 4.460 3.561 2.111 4.155 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 7 LYS QE . . 4.750 4.181 2.425 5.109 0.359 13 0 "[ . 1 . 2]" 1
93 1 7 LYS HA 1 7 LYS QG . . 3.660 2.437 2.180 2.818 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HA 1 8 ILE H . . 4.230 3.568 3.567 3.570 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS HA 1 8 ILE MG . . 5.030 6.146 6.141 6.152 1.122 13 20 [************+****-**] 1
96 1 7 LYS HA 1 10 LYS H . . 5.300 3.733 3.637 4.042 . 0 0 "[ . 1 . 2]" 1
97 1 7 LYS HA 1 10 LYS QB . . 3.900 2.983 2.812 3.205 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS HA 1 10 LYS QE . . 5.500 5.835 4.408 6.931 1.431 17 8 "[** *- * 1 .*+ *2]" 1
99 1 7 LYS HA 1 11 VAL H . . 4.670 3.704 3.611 4.043 . 0 0 "[ . 1 . 2]" 1
100 1 7 LYS QB 1 8 ILE H . . 4.070 2.065 1.958 2.203 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS QB 1 8 ILE HA . . 5.070 4.026 3.696 4.224 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS QB 1 9 GLU H . . 4.770 4.393 4.296 4.456 . 0 0 "[ . 1 . 2]" 1
103 1 7 LYS QD 1 11 VAL QG . . 3.840 3.844 2.987 4.818 0.978 7 3 "[ - +* 1 . 2]" 1
104 1 7 LYS QE 1 11 VAL QG . . 4.630 3.364 1.953 5.050 0.420 18 0 "[ . 1 . 2]" 1
105 1 7 LYS QG 1 8 ILE H . . 4.750 3.239 2.804 4.113 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS QG 1 11 VAL H . . 4.980 4.272 3.848 5.794 0.814 17 1 "[ . 1 . + 2]" 1
107 1 8 ILE H 1 8 ILE QG . . 3.820 1.978 1.936 2.060 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE H 1 8 ILE MG . . 3.760 3.765 3.763 3.766 0.006 11 0 "[ . 1 . 2]" 1
109 1 8 ILE H 1 9 GLU H . . 4.070 2.810 2.708 2.850 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE H 1 10 LYS H . . 4.690 4.462 4.355 4.871 0.181 11 0 "[ . 1 . 2]" 1
111 1 8 ILE HA 1 8 ILE MD . . 3.740 2.386 1.975 3.857 0.117 5 0 "[ . 1 . 2]" 1
112 1 8 ILE HA 1 8 ILE QG . . 4.020 2.817 2.411 2.952 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE HA 1 8 ILE MG . . 3.230 2.326 2.292 2.373 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE HA 1 9 GLU H . . 4.200 3.539 3.528 3.547 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE HA 1 10 LYS H . . 4.720 4.688 4.525 5.180 0.460 11 0 "[ . 1 . 2]" 1
116 1 8 ILE HA 1 11 VAL H . . 4.200 3.864 3.440 4.037 . 0 0 "[ . 1 . 2]" 1
117 1 8 ILE HA 1 11 VAL QG . . 2.780 2.833 1.954 3.428 0.648 7 8 "[ . + *1-* *** *2]" 1
118 1 8 ILE HA 1 12 GLY H . . 4.000 3.842 3.436 4.466 0.466 3 0 "[ . 1 . 2]" 1
119 1 8 ILE HB 1 8 ILE MD . . 3.380 3.056 2.342 3.230 . 0 0 "[ . 1 . 2]" 1
120 1 8 ILE HB 1 9 GLU H . . 3.990 2.601 2.538 2.677 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE MD 1 9 GLU H . . 4.220 4.617 4.504 4.672 0.452 9 0 "[ . 1 . 2]" 1
122 1 8 ILE MD 1 10 LYS H . . 4.850 6.108 5.852 6.676 1.826 10 20 [*-*******+**********] 1
123 1 8 ILE QG 1 9 GLU H . . 4.290 3.970 3.946 4.011 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE QG 1 10 LYS H . . 5.190 5.893 5.767 6.273 1.083 11 20 [**********+******-**] 1
125 1 8 ILE MG 1 9 GLU H . . 4.080 3.480 3.438 3.544 . 0 0 "[ . 1 . 2]" 1
126 1 8 ILE MG 1 12 GLY H . . 5.500 4.031 3.623 4.258 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLU H 1 9 GLU HB3 . . 4.050 2.843 2.403 3.562 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLU H 1 9 GLU QG . . 4.270 3.554 2.480 4.049 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLU H 1 10 LYS H . . 4.070 2.766 2.702 2.961 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLU H 1 11 VAL H . . 4.800 4.374 4.054 4.502 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLU H 1 11 VAL QG . . 4.540 4.634 3.917 5.030 0.490 19 0 "[ . 1 . 2]" 1
132 1 9 GLU HA 1 9 GLU QG . . 3.550 2.517 2.331 2.793 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLU HA 1 10 LYS H . . 4.230 3.557 3.547 3.569 . 0 0 "[ . 1 . 2]" 1
134 1 9 GLU HA 1 12 GLY H . . 4.350 3.782 3.607 4.007 . 0 0 "[ . 1 . 2]" 1
135 1 9 GLU HA 1 13 ARG H . . 3.910 4.347 4.049 5.065 1.155 2 6 "[*+**.* - . 2]" 1
136 1 9 GLU HB2 1 10 LYS H . . 4.960 3.387 2.277 3.858 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLU HB3 1 10 LYS H . . 4.410 2.648 2.154 3.326 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLU HB3 1 10 LYS QB . . 4.350 4.182 3.753 5.060 0.710 7 2 "[ -. + 1 . 2]" 1
139 1 9 GLU QG 1 10 LYS H . . 4.140 3.743 3.256 4.243 0.103 15 0 "[ . 1 . 2]" 1
140 1 9 GLU QG 1 10 LYS HA . . 4.820 4.363 3.331 5.812 0.992 4 6 "[ +. * 1** - *2]" 1
141 1 10 LYS H 1 10 LYS QB . . 3.400 2.225 2.119 2.288 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS H 1 10 LYS QD . . 5.500 4.218 3.248 4.534 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS H 1 10 LYS HG2 . . 4.440 4.139 2.712 4.624 0.184 19 0 "[ . 1 . 2]" 1
144 1 10 LYS H 1 10 LYS HG3 . . 4.360 4.118 2.996 4.572 0.212 20 0 "[ . 1 . 2]" 1
145 1 10 LYS H 1 11 VAL H . . 4.050 2.792 2.584 2.926 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS H 1 12 GLY H . . 4.800 3.950 3.804 4.148 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS HA 1 10 LYS QD . . 4.300 3.316 2.126 4.174 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS HA 1 10 LYS QE . . 4.800 4.380 3.079 4.874 0.074 14 0 "[ . 1 . 2]" 1
149 1 10 LYS HA 1 11 VAL H . . 4.280 3.563 3.523 3.571 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HA 1 11 VAL QG . . 5.110 4.753 4.415 4.802 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS HA 1 12 GLY H . . 5.000 4.188 3.963 4.578 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HA 1 13 ARG H . . 3.500 3.495 3.224 3.696 0.196 18 0 "[ . 1 . 2]" 1
153 1 10 LYS HA 1 13 ARG HB2 . . 4.540 3.578 2.762 5.364 0.824 2 1 "[ + . 1 . 2]" 1
154 1 10 LYS QB 1 10 LYS QE . . 4.370 3.311 2.457 3.684 . 0 0 "[ . 1 . 2]" 1
155 1 10 LYS QB 1 11 VAL H . . 3.770 2.305 2.131 2.745 . 0 0 "[ . 1 . 2]" 1
156 1 10 LYS QB 1 11 VAL QG . . 3.730 3.209 2.884 3.887 0.157 5 0 "[ . 1 . 2]" 1
157 1 10 LYS QB 1 12 GLY H . . 4.500 4.446 4.300 4.670 0.170 14 0 "[ . 1 . 2]" 1
158 1 10 LYS QB 1 14 ASN HA . . 4.780 6.382 5.590 6.732 1.952 14 20 [**-**********+******] 1
159 1 10 LYS QD 1 11 VAL H . . 4.630 4.441 2.854 5.179 0.549 3 1 "[ + . 1 . 2]" 1
160 1 10 LYS QE 1 11 VAL QG . . 5.500 5.449 4.056 6.639 1.139 13 5 "[ *. * 1 + .* - 2]" 1
161 1 10 LYS QG 1 11 VAL H . . 4.110 3.663 2.960 4.468 0.358 4 0 "[ . 1 . 2]" 1
162 1 10 LYS QG 1 11 VAL HA . . 3.660 4.322 3.250 5.822 2.162 3 8 "[ *+*. * 1* * -* 2]" 1
163 1 11 VAL H 1 11 VAL HB . . 3.640 2.613 2.433 3.610 . 0 0 "[ . 1 . 2]" 1
164 1 11 VAL H 1 11 VAL QG . . 3.320 2.109 1.922 2.242 . 0 0 "[ . 1 . 2]" 1
165 1 11 VAL H 1 12 GLY H . . 4.030 2.749 2.643 2.872 . 0 0 "[ . 1 . 2]" 1
166 1 11 VAL H 1 13 ARG H . . 4.720 4.401 4.129 4.699 . 0 0 "[ . 1 . 2]" 1
167 1 11 VAL HA 1 11 VAL QG . . 3.120 2.120 2.044 2.298 . 0 0 "[ . 1 . 2]" 1
168 1 11 VAL HA 1 12 GLY H . . 4.610 3.509 3.491 3.558 . 0 0 "[ . 1 . 2]" 1
169 1 11 VAL HA 1 14 ASN H . . 3.870 3.523 3.339 3.747 . 0 0 "[ . 1 . 2]" 1
170 1 11 VAL HA 1 14 ASN QB . . 4.210 2.453 2.061 2.726 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL HA 1 14 ASN QD . . 4.580 3.948 2.826 5.258 0.678 11 2 "[ - 1+ . 2]" 1
172 1 11 VAL HA 1 15 VAL H . . 3.980 3.989 3.395 4.397 0.417 19 0 "[ . 1 . 2]" 1
173 1 11 VAL HB 1 12 GLY H . . 4.030 3.064 2.477 3.978 . 0 0 "[ . 1 . 2]" 1
174 1 11 VAL HB 1 12 GLY QA . . 4.890 4.187 3.832 5.160 0.270 18 0 "[ . 1 . 2]" 1
175 1 11 VAL HB 1 14 ASN H . . 5.500 5.615 5.410 5.856 0.356 5 0 "[ . 1 . 2]" 1
176 1 11 VAL QG 1 12 GLY H . . 3.870 3.004 1.986 3.389 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL QG 1 12 GLY QA . . 5.080 3.274 2.868 3.485 . 0 0 "[ . 1 . 2]" 1
178 1 11 VAL QG 1 14 ASN QB . . 5.470 3.347 3.068 3.801 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLY H 1 13 ARG H . . 3.900 2.646 2.388 2.830 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLY H 1 14 ASN H . . 4.840 3.917 3.817 4.163 . 0 0 "[ . 1 . 2]" 1
181 1 12 GLY QA 1 13 ARG H . . 4.610 2.697 2.582 2.784 . 0 0 "[ . 1 . 2]" 1
182 1 12 GLY QA 1 15 VAL H . . 4.400 4.137 4.000 4.343 . 0 0 "[ . 1 . 2]" 1
183 1 12 GLY QA 1 15 VAL HA . . 4.140 6.211 6.020 6.445 2.305 7 20 [******+******-******] 1
184 1 12 GLY QA 1 15 VAL HB . . 4.830 4.037 3.739 5.705 0.875 7 1 "[ . + 1 . 2]" 1
185 1 12 GLY QA 1 15 VAL MG2 . . 5.030 3.519 2.859 3.987 . 0 0 "[ . 1 . 2]" 1
186 1 13 ARG H 1 13 ARG HB2 . . 4.030 2.390 2.075 3.620 . 0 0 "[ . 1 . 2]" 1
187 1 13 ARG H 1 13 ARG HB3 . . 3.360 3.036 2.495 3.559 0.199 15 0 "[ . 1 . 2]" 1
188 1 13 ARG H 1 13 ARG QG . . 4.160 3.462 2.066 4.040 . 0 0 "[ . 1 . 2]" 1
189 1 13 ARG H 1 14 ASN H . . 3.970 2.439 2.396 2.585 . 0 0 "[ . 1 . 2]" 1
190 1 13 ARG H 1 14 ASN QD . . 5.340 6.235 4.032 6.773 1.433 13 18 "[*** ** *****+*-*****]" 1
191 1 13 ARG HA 1 13 ARG QD . . 4.620 3.334 2.097 4.261 . 0 0 "[ . 1 . 2]" 1
192 1 13 ARG HA 1 14 ASN H . . 4.060 3.503 3.489 3.520 . 0 0 "[ . 1 . 2]" 1
193 1 13 ARG HA 1 16 ARG H . . 4.140 3.766 3.552 3.835 . 0 0 "[ . 1 . 2]" 1
194 1 13 ARG HA 1 16 ARG QB . . 4.350 2.653 2.279 2.987 . 0 0 "[ . 1 . 2]" 1
195 1 13 ARG HA 1 16 ARG QD . . 4.150 4.262 3.184 5.266 1.116 1 7 "[+ **. * 1- . **]" 1
196 1 13 ARG HA 1 17 ASP H . . 4.160 3.528 3.418 3.607 . 0 0 "[ . 1 . 2]" 1
197 1 13 ARG HA 1 17 ASP QB . . 4.970 4.253 3.985 4.853 . 0 0 "[ . 1 . 2]" 1
198 1 13 ARG HB2 1 14 ASN H . . 4.930 3.449 2.881 3.975 . 0 0 "[ . 1 . 2]" 1
199 1 13 ARG HB3 1 13 ARG HE . . 5.190 4.005 2.284 5.160 . 0 0 "[ . 1 . 2]" 1
200 1 13 ARG HB3 1 14 ASN HA . . 4.670 4.175 3.892 5.615 0.945 2 1 "[ + . 1 . 2]" 1
201 1 13 ARG QG 1 17 ASP H . . 4.500 4.309 3.248 5.490 0.990 11 4 "[ . 1+ ** - 2]" 1
202 1 14 ASN H 1 14 ASN HD21 . . 4.740 4.448 2.293 5.002 0.262 16 0 "[ . 1 . 2]" 1
203 1 14 ASN H 1 15 VAL H . . 4.050 3.001 2.933 3.135 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASN H 1 15 VAL HB . . 5.500 5.222 5.123 6.525 1.025 7 1 "[ . + 1 . 2]" 1
205 1 14 ASN H 1 16 ARG H . . 4.470 4.422 4.070 4.592 0.122 11 0 "[ . 1 . 2]" 1
206 1 14 ASN HA 1 14 ASN HD21 . . 4.430 3.690 2.193 4.542 0.112 20 0 "[ . 1 . 2]" 1
207 1 14 ASN HA 1 14 ASN HD22 . . 4.430 4.237 3.443 4.847 0.417 20 0 "[ . 1 . 2]" 1
208 1 14 ASN HA 1 15 VAL H . . 4.030 3.569 3.564 3.571 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASN HA 1 15 VAL QG . . 4.960 4.732 4.408 4.791 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASN HA 1 17 ASP H . . 4.190 4.048 3.985 4.169 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN HA 1 17 ASP QB . . 3.870 3.006 2.790 3.404 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASN HA 1 18 GLY H . . 4.690 3.945 3.782 4.049 . 0 0 "[ . 1 . 2]" 1
213 1 14 ASN QB 1 15 VAL H . . 4.180 2.171 1.956 2.413 . 0 0 "[ . 1 . 2]" 1
214 1 14 ASN QB 1 15 VAL MG2 . . 4.330 3.052 2.893 3.504 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASN QB 1 17 ASP H . . 5.500 5.301 5.219 5.377 . 0 0 "[ . 1 . 2]" 1
216 1 14 ASN QB 1 17 ASP QB . . 5.280 4.795 4.615 5.176 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASN QD 1 15 VAL H . . 5.340 4.035 2.506 4.917 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL H 1 15 VAL HB . . 3.760 2.726 2.612 3.613 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL H 1 15 VAL MG1 . . 3.840 3.681 2.220 3.765 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL H 1 15 VAL MG2 . . 3.080 2.058 1.926 2.157 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL H 1 16 ARG H . . 2.400 2.957 2.823 3.019 0.619 11 18 "[****** ***+*****-* *]" 1
222 1 15 VAL H 1 17 ASP H . . 2.990 4.624 4.498 4.943 1.953 7 20 [******+***-*********] 1
223 1 15 VAL HA 1 15 VAL MG1 . . 3.290 2.249 2.228 2.337 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL HA 1 15 VAL MG2 . . 3.290 2.405 2.304 3.195 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL HA 1 16 ARG H . . 4.220 3.567 3.537 3.573 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL HA 1 18 GLY H . . 3.540 3.665 3.555 3.781 0.241 19 0 "[ . 1 . 2]" 1
227 1 15 VAL HA 1 19 ILE H . . 4.080 3.975 3.736 4.049 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL HB 1 16 ARG H . . 4.030 2.304 2.133 3.579 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL HB 1 19 ILE MD . . 4.600 3.704 2.245 5.776 1.176 17 2 "[ . 1 - . + 2]" 1
230 1 15 VAL MG2 1 16 ARG H . . 3.460 3.541 2.020 3.736 0.276 17 0 "[ . 1 . 2]" 1
231 1 16 ARG H 1 16 ARG HB2 . . 3.930 2.210 2.063 2.556 . 0 0 "[ . 1 . 2]" 1
232 1 16 ARG H 1 16 ARG HB3 . . 3.930 3.336 2.495 3.591 . 0 0 "[ . 1 . 2]" 1
233 1 16 ARG H 1 16 ARG QD . . 4.690 3.878 2.225 4.741 0.051 5 0 "[ . 1 . 2]" 1
234 1 16 ARG H 1 16 ARG HG2 . . 4.680 3.814 2.181 4.659 . 0 0 "[ . 1 . 2]" 1
235 1 16 ARG H 1 16 ARG HG3 . . 4.680 3.607 2.703 4.436 . 0 0 "[ . 1 . 2]" 1
236 1 16 ARG H 1 17 ASP H . . 4.150 3.003 2.967 3.053 . 0 0 "[ . 1 . 2]" 1
237 1 16 ARG H 1 17 ASP HA . . 5.500 5.515 5.494 5.546 0.046 19 0 "[ . 1 . 2]" 1
238 1 16 ARG H 1 18 GLY H . . 4.730 4.133 3.911 4.241 . 0 0 "[ . 1 . 2]" 1
239 1 16 ARG HA 1 16 ARG QD . . 4.290 3.334 2.411 4.014 . 0 0 "[ . 1 . 2]" 1
240 1 16 ARG HA 1 16 ARG HE . . 5.390 4.518 2.536 5.586 0.196 6 0 "[ . 1 . 2]" 1
241 1 16 ARG HA 1 16 ARG HG2 . . 4.020 2.811 2.241 3.576 . 0 0 "[ . 1 . 2]" 1
242 1 16 ARG HA 1 16 ARG QG . . 3.520 2.269 2.040 2.708 . 0 0 "[ . 1 . 2]" 1
243 1 16 ARG HA 1 16 ARG HG3 . . 4.020 2.782 2.067 3.765 . 0 0 "[ . 1 . 2]" 1
244 1 16 ARG HA 1 17 ASP H . . 4.210 3.569 3.566 3.571 . 0 0 "[ . 1 . 2]" 1
245 1 16 ARG HA 1 17 ASP QB . . 5.500 5.264 5.223 5.451 . 0 0 "[ . 1 . 2]" 1
246 1 16 ARG HA 1 19 ILE H . . 3.550 3.550 3.446 3.717 0.167 7 0 "[ . 1 . 2]" 1
247 1 16 ARG HA 1 19 ILE HB . . 3.730 2.988 2.785 3.312 . 0 0 "[ . 1 . 2]" 1
248 1 16 ARG HA 1 19 ILE MD . . 3.510 2.924 2.413 5.370 1.860 17 2 "[ . 1 - . + 2]" 1
249 1 16 ARG HA 1 20 ILE H . . 4.440 3.944 3.699 4.000 . 0 0 "[ . 1 . 2]" 1
250 1 16 ARG HA 1 20 ILE HB . . 5.270 5.264 5.107 5.314 0.044 8 0 "[ . 1 . 2]" 1
251 1 16 ARG HA 1 20 ILE MG . . 4.770 5.947 5.802 6.012 1.242 16 20 [******-********+****] 1
252 1 16 ARG QB 1 17 ASP HA . . 4.790 3.718 3.627 4.151 . 0 0 "[ . 1 . 2]" 1
253 1 16 ARG HB2 1 16 ARG HE . . 5.050 4.064 2.549 5.173 0.123 19 0 "[ . 1 . 2]" 1
254 1 16 ARG HB2 1 17 ASP H . . 4.190 2.763 2.239 3.743 . 0 0 "[ . 1 . 2]" 1
255 1 16 ARG HB3 1 16 ARG HE . . 5.050 3.992 2.596 4.649 . 0 0 "[ . 1 . 2]" 1
256 1 16 ARG HB3 1 17 ASP H . . 4.190 2.618 2.172 3.261 . 0 0 "[ . 1 . 2]" 1
257 1 16 ARG QD 1 17 ASP H . . 4.780 4.581 4.177 4.952 0.172 13 0 "[ . 1 . 2]" 1
258 1 16 ARG QD 1 17 ASP QB . . 5.500 5.780 5.131 6.479 0.979 18 5 "[- * . * 1 * . + 2]" 1
259 1 16 ARG QD 1 19 ILE MG . . 4.090 5.940 4.560 6.898 2.808 6 19 "[-****+************ *]" 1
260 1 16 ARG QG 1 17 ASP HA . . 4.990 5.172 3.369 5.766 0.776 20 8 "[*-**. * 1 . * *+]" 1
261 1 16 ARG HG2 1 17 ASP H . . 4.920 4.494 3.235 4.856 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG HG3 1 17 ASP H . . 4.920 4.623 4.114 4.883 . 0 0 "[ . 1 . 2]" 1
263 1 17 ASP H 1 17 ASP QB . . 3.410 2.254 2.168 2.388 . 0 0 "[ . 1 . 2]" 1
264 1 17 ASP H 1 18 GLY H . . 3.490 2.805 2.732 2.864 . 0 0 "[ . 1 . 2]" 1
265 1 17 ASP H 1 19 ILE H . . 4.340 4.358 4.301 4.476 0.136 7 0 "[ . 1 . 2]" 1
266 1 17 ASP H 1 19 ILE MD . . 5.030 5.461 5.101 6.952 1.922 17 3 "[ . - 1 * . + 2]" 1
267 1 17 ASP HA 1 18 GLY H . . 4.360 3.537 3.520 3.557 . 0 0 "[ . 1 . 2]" 1
268 1 17 ASP HA 1 20 ILE H . . 4.560 3.588 3.500 3.877 . 0 0 "[ . 1 . 2]" 1
269 1 17 ASP HA 1 20 ILE HB . . 4.350 2.729 2.499 2.920 . 0 0 "[ . 1 . 2]" 1
270 1 17 ASP HA 1 20 ILE MD . . 4.680 3.297 2.169 5.209 0.529 15 6 "[ . ** *+* -2]" 1
271 1 17 ASP HA 1 20 ILE QG . . 5.310 3.850 3.642 4.079 . 0 0 "[ . 1 . 2]" 1
272 1 17 ASP HA 1 21 LYS HB2 . . 4.350 4.491 4.023 4.938 0.588 6 2 "[ .+ 1 . - 2]" 1
273 1 17 ASP QB 1 18 GLY H . . 3.930 2.598 2.498 2.695 . 0 0 "[ . 1 . 2]" 1
274 1 17 ASP QB 1 18 GLY QA . . 4.590 3.730 3.575 3.943 . 0 0 "[ . 1 . 2]" 1
275 1 17 ASP QB 1 19 ILE H . . 5.070 4.835 4.761 4.932 . 0 0 "[ . 1 . 2]" 1
276 1 18 GLY H 1 19 ILE H . . 3.450 2.695 2.638 2.828 . 0 0 "[ . 1 . 2]" 1
277 1 18 GLY QA 1 19 ILE H . . 4.170 2.688 2.653 2.707 . 0 0 "[ . 1 . 2]" 1
278 1 18 GLY QA 1 21 LYS H . . 3.340 3.668 3.580 3.905 0.565 19 2 "[ - 1 . +2]" 1
279 1 18 GLY QA 1 21 LYS QG . . 5.340 4.115 3.380 4.873 . 0 0 "[ . 1 . 2]" 1
280 1 18 GLY QA 1 22 ALA H . . 4.850 3.592 3.055 3.996 . 0 0 "[ . 1 . 2]" 1
281 1 18 GLY QA 1 22 ALA MB . . 4.530 3.966 3.131 4.612 0.082 17 0 "[ . 1 . 2]" 1
282 1 19 ILE H 1 19 ILE HB . . 3.700 2.512 2.498 2.518 . 0 0 "[ . 1 . 2]" 1
283 1 19 ILE H 1 19 ILE MD . . 3.990 3.282 3.230 3.428 . 0 0 "[ . 1 . 2]" 1
284 1 19 ILE H 1 19 ILE QG . . 4.270 2.168 2.148 2.217 . 0 0 "[ . 1 . 2]" 1
285 1 19 ILE H 1 19 ILE MG . . 3.980 3.766 3.764 3.768 . 0 0 "[ . 1 . 2]" 1
286 1 19 ILE H 1 20 ILE H . . 4.000 2.554 2.491 2.757 . 0 0 "[ . 1 . 2]" 1
287 1 19 ILE HA 1 19 ILE MD . . 4.030 3.693 1.979 3.884 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HA 1 19 ILE QG . . 3.460 2.497 2.447 2.885 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE HA 1 19 ILE MG . . 3.040 2.323 2.302 2.372 . 0 0 "[ . 1 . 2]" 1
290 1 19 ILE HA 1 20 ILE H . . 4.120 3.519 3.508 3.569 . 0 0 "[ . 1 . 2]" 1
291 1 19 ILE HA 1 20 ILE HA . . 4.790 4.736 4.712 4.825 0.035 19 0 "[ . 1 . 2]" 1
292 1 19 ILE HA 1 22 ALA H . . 3.870 4.303 3.668 4.624 0.754 2 11 "[ + *. *** * **-* *]" 1
293 1 19 ILE HB 1 19 ILE MD . . 3.740 2.419 2.233 3.230 . 0 0 "[ . 1 . 2]" 1
294 1 19 ILE HB 1 23 GLY H . . 5.500 5.957 5.441 6.686 1.186 3 8 "[ -+ ** * . ** *]" 1
295 1 19 ILE MD 1 20 ILE H . . 4.420 4.467 4.140 4.687 0.267 17 0 "[ . 1 . 2]" 1
296 1 19 ILE QG 1 23 GLY H . . 5.180 5.197 4.381 6.678 1.498 3 4 "[ + * 1 - . * 2]" 1
297 1 19 ILE MG 1 20 ILE H . . 3.550 3.539 3.111 3.613 0.063 5 0 "[ . 1 . 2]" 1
298 1 19 ILE MG 1 20 ILE HA . . 3.670 3.553 3.343 3.658 . 0 0 "[ . 1 . 2]" 1
299 1 19 ILE MG 1 23 GLY H . . 4.440 4.341 3.598 4.871 0.431 20 0 "[ . 1 . 2]" 1
300 1 19 ILE MG 1 24 PRO QD . . 5.200 4.382 2.582 6.004 0.804 5 2 "[ - + 1 . 2]" 1
301 1 20 ILE H 1 20 ILE HB . . 3.860 2.507 2.492 2.594 . 0 0 "[ . 1 . 2]" 1
302 1 20 ILE H 1 20 ILE QG . . 4.250 2.224 1.989 2.322 . 0 0 "[ . 1 . 2]" 1
303 1 20 ILE H 1 20 ILE MG . . 3.950 3.767 3.764 3.769 . 0 0 "[ . 1 . 2]" 1
304 1 20 ILE H 1 21 LYS H . . 4.460 2.593 2.532 2.868 . 0 0 "[ . 1 . 2]" 1
305 1 20 ILE H 1 22 ALA H . . 4.590 4.546 3.733 4.934 0.344 19 0 "[ . 1 . 2]" 1
306 1 20 ILE HA 1 20 ILE MD . . 3.950 3.320 1.974 3.884 . 0 0 "[ . 1 . 2]" 1
307 1 20 ILE HA 1 20 ILE QG . . 3.890 2.579 2.431 2.892 . 0 0 "[ . 1 . 2]" 1
308 1 20 ILE HA 1 21 LYS H . . 3.920 3.553 3.543 3.569 . 0 0 "[ . 1 . 2]" 1
309 1 20 ILE HA 1 21 LYS HA . . 4.860 4.810 4.725 4.860 . 6 0 "[ . 1 . 2]" 1
310 1 20 ILE HA 1 21 LYS QE . . 5.500 7.969 6.735 8.884 3.384 3 20 [**+*-***************] 1
311 1 20 ILE MD 1 20 ILE MG . . 3.320 2.251 1.942 2.562 . 0 0 "[ . 1 . 2]" 1
312 1 20 ILE MD 1 21 LYS H . . 3.590 4.318 3.880 4.644 1.054 14 18 [***-.********+*****2] 1
313 1 20 ILE MD 1 21 LYS HA . . 3.910 5.755 5.691 5.843 1.933 14 20 [****-********+******] 1
314 1 20 ILE MD 1 21 LYS QE . . 4.140 7.403 5.000 8.874 4.734 11 20 [****-*****+*********] 1
315 1 20 ILE MG 1 21 LYS H . . 4.160 3.344 3.140 3.446 . 0 0 "[ . 1 . 2]" 1
316 1 21 LYS H 1 21 LYS HB2 . . 3.900 2.428 2.209 2.605 . 0 0 "[ . 1 . 2]" 1
317 1 21 LYS H 1 21 LYS HB3 . . 3.900 2.990 2.440 3.586 . 0 0 "[ . 1 . 2]" 1
318 1 21 LYS H 1 21 LYS QD . . 4.380 4.332 4.056 4.447 0.067 4 0 "[ . 1 . 2]" 1
319 1 21 LYS H 1 21 LYS QE . . 4.930 5.271 4.006 6.060 1.130 2 9 "[ +* . ****- . **]" 1
320 1 21 LYS H 1 21 LYS QG . . 4.310 3.373 2.262 4.003 . 0 0 "[ . 1 . 2]" 1
321 1 21 LYS H 1 22 ALA H . . 3.750 2.994 2.596 3.185 . 0 0 "[ . 1 . 2]" 1
322 1 21 LYS H 1 23 GLY H . . 4.910 4.959 4.561 5.276 0.366 5 0 "[ . 1 . 2]" 1
323 1 21 LYS HA 1 21 LYS QD . . 4.080 3.416 2.471 4.109 0.029 19 0 "[ . 1 . 2]" 1
324 1 21 LYS HA 1 21 LYS QE . . 4.720 4.255 2.887 5.025 0.305 12 0 "[ . 1 . 2]" 1
325 1 21 LYS HA 1 22 ALA H . . 3.270 3.552 3.467 3.570 0.300 8 0 "[ . 1 . 2]" 1
326 1 21 LYS QB 1 22 ALA H . . 3.780 2.178 1.941 2.877 . 0 0 "[ . 1 . 2]" 1
327 1 21 LYS HB2 1 22 ALA H . . 4.310 3.046 2.098 3.924 . 0 0 "[ . 1 . 2]" 1
328 1 21 LYS HB3 1 22 ALA H . . 4.310 2.472 1.951 3.850 . 0 0 "[ . 1 . 2]" 1
329 1 22 ALA H 1 22 ALA MB . . 3.040 2.188 2.036 2.309 . 0 0 "[ . 1 . 2]" 1
330 1 22 ALA H 1 23 GLY H . . 3.820 2.833 2.527 3.227 . 0 0 "[ . 1 . 2]" 1
331 1 22 ALA H 1 28 VAL QG . . 4.610 7.221 4.247 10.586 5.976 8 15 "[*** * *+*** * *-** *]" 1
332 1 22 ALA HA 1 23 GLY H . . 3.650 3.564 3.558 3.575 . 0 0 "[ . 1 . 2]" 1
333 1 22 ALA HA 1 24 PRO QD . . 4.870 4.685 3.692 6.333 1.463 8 5 "[ * . + ** . - 2]" 1
334 1 22 ALA HA 1 28 VAL QG . . 4.240 7.517 4.477 10.285 6.045 8 19 "[*******+*** *-******]" 1
335 1 22 ALA MB 1 23 GLY H . . 3.460 2.084 1.920 2.247 . 0 0 "[ . 1 . 2]" 1
336 1 22 ALA MB 1 24 PRO QD . . 4.190 3.164 2.235 5.254 1.064 8 5 "[ * . + ** . - 2]" 1
337 1 22 ALA MB 1 28 VAL HB . . 3.860 7.114 4.425 9.368 5.508 7 20 [******+****-********] 1
338 1 22 ALA MB 1 28 VAL QG . . 3.070 5.159 2.211 7.758 4.688 8 15 "[*** * *+*** * *-** *]" 1
339 1 23 GLY H 1 24 PRO QD . . 3.820 3.070 1.957 4.330 0.510 10 3 "[ * . +- . 2]" 1
340 1 23 GLY H 1 24 PRO QG . . 4.580 4.714 3.976 5.954 1.374 11 5 "[ * . * *+ . - 2]" 1
341 1 23 GLY H 1 28 VAL QG . . 4.440 5.787 3.421 8.168 3.728 8 14 "[*** * *+-** * * ** *]" 1
342 1 24 PRO HA 1 25 ALA H . . 3.540 2.754 2.170 3.543 0.003 17 0 "[ . 1 . 2]" 1
343 1 24 PRO HA 1 25 ALA MB . . 4.080 4.393 3.909 5.018 0.938 17 7 "[ * * - ** . + *]" 1
344 1 24 PRO HA 1 26 VAL QG . . 5.030 4.156 2.724 5.363 0.333 13 0 "[ . 1 . 2]" 1
345 1 24 PRO HA 1 27 ALA H . . 4.450 4.321 3.510 5.289 0.839 1 5 "[+ -. * 1 * * 2]" 1
346 1 24 PRO HA 1 28 VAL QG . . 4.820 4.727 3.717 5.551 0.731 6 2 "[ .+ 1 .- 2]" 1
347 1 24 PRO QB 1 25 ALA H . . 4.630 3.265 2.138 3.907 . 0 0 "[ . 1 . 2]" 1
348 1 24 PRO QB 1 27 ALA MB . . 3.830 3.485 2.164 4.937 1.107 7 4 "[ * + -* . 2]" 1
349 1 24 PRO QD 1 25 ALA H . . 5.130 4.011 2.602 5.003 . 0 0 "[ . 1 . 2]" 1
350 1 24 PRO QG 1 27 ALA MB . . 3.400 4.002 1.867 5.903 2.503 5 10 "[ ** + *-** . ** *]" 1
351 1 24 PRO QG 1 28 VAL HA . . 4.950 6.773 5.037 7.962 3.012 8 18 "[-******+*** * ******]" 1
352 1 24 PRO QG 1 28 VAL QG . . 4.210 3.943 2.745 5.262 1.052 7 1 "[ . + 1 . 2]" 1
353 1 25 ALA H 1 25 ALA MB . . 2.940 2.160 2.028 2.363 . 0 0 "[ . 1 . 2]" 1
354 1 25 ALA H 1 26 VAL H . . 4.590 2.531 2.115 2.894 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA H 1 27 ALA H . . 3.870 4.467 3.678 5.065 1.195 5 12 "[ *-*+ ****** *. *]" 1
356 1 25 ALA H 1 28 VAL QG . . 4.820 4.401 3.966 4.998 0.178 6 0 "[ . 1 . 2]" 1
357 1 25 ALA HA 1 26 VAL H . . 3.810 3.506 3.462 3.561 . 0 0 "[ . 1 . 2]" 1
358 1 25 ALA HA 1 28 VAL H . . 3.990 3.496 3.327 3.675 . 0 0 "[ . 1 . 2]" 1
359 1 25 ALA HA 1 28 VAL QG . . 3.640 2.683 1.914 3.127 . 0 0 "[ . 1 . 2]" 1
360 1 25 ALA HA 1 29 VAL H . . 4.560 3.704 3.352 3.901 . 0 0 "[ . 1 . 2]" 1
361 1 25 ALA MB 1 26 VAL H . . 3.270 2.748 2.355 2.947 . 0 0 "[ . 1 . 2]" 1
362 1 25 ALA MB 1 28 VAL QG . . 3.420 3.758 3.045 4.087 0.667 15 5 "[* . 1 +-* *2]" 1
363 1 26 VAL H 1 26 VAL HB . . 3.240 2.707 2.525 3.613 0.373 15 0 "[ . 1 . 2]" 1
364 1 26 VAL H 1 26 VAL QG . . 3.320 2.047 1.813 2.203 . 0 0 "[ . 1 . 2]" 1
365 1 26 VAL H 1 27 ALA H . . 3.490 2.908 2.788 3.061 . 0 0 "[ . 1 . 2]" 1
366 1 26 VAL H 1 28 VAL H . . 3.710 4.430 4.105 4.795 1.085 18 17 "[****.****1-** ***+**]" 1
367 1 26 VAL HA 1 26 VAL QG . . 3.030 2.118 2.042 2.324 . 0 0 "[ . 1 . 2]" 1
368 1 26 VAL HA 1 27 ALA H . . 3.990 3.551 3.509 3.571 . 0 0 "[ . 1 . 2]" 1
369 1 26 VAL HA 1 27 ALA HA . . 5.490 4.777 4.741 4.812 . 0 0 "[ . 1 . 2]" 1
370 1 26 VAL HA 1 29 VAL H . . 3.540 3.938 3.765 4.167 0.627 5 9 "[- * + * ** * *. *]" 1
371 1 26 VAL HA 1 30 GLY H . . 3.700 3.599 3.369 3.762 0.062 5 0 "[ . 1 . 2]" 1
372 1 27 ALA H 1 27 ALA MB . . 2.940 2.163 2.025 2.241 . 0 0 "[ . 1 . 2]" 1
373 1 27 ALA H 1 28 VAL H . . 2.400 2.790 2.656 2.936 0.536 3 1 "[ + . 1 . 2]" 1
374 1 27 ALA H 1 29 VAL H . . 2.400 4.315 3.832 4.844 2.444 14 20 [************-+******] 1
375 1 27 ALA HA 1 28 VAL H . . 4.260 3.563 3.549 3.573 . 0 0 "[ . 1 . 2]" 1
376 1 27 ALA HA 1 28 VAL HA . . 4.940 4.819 4.787 4.844 . 0 0 "[ . 1 . 2]" 1
377 1 27 ALA HA 1 30 GLY H . . 4.100 3.824 3.554 4.000 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA HA 1 31 GLN H . . 4.890 3.453 3.258 3.848 . 0 0 "[ . 1 . 2]" 1
379 1 27 ALA MB 1 28 VAL H . . 3.280 2.369 2.099 2.631 . 0 0 "[ . 1 . 2]" 1
380 1 27 ALA MB 1 30 GLY QA . . 3.860 5.100 4.907 5.252 1.392 18 20 [**********-******+**] 1
381 1 28 VAL H 1 28 VAL QG . . 3.060 2.070 1.930 2.186 . 0 0 "[ . 1 . 2]" 1
382 1 28 VAL H 1 29 VAL H . . 3.220 2.869 2.734 3.025 . 0 0 "[ . 1 . 2]" 1
383 1 28 VAL H 1 30 GLY H . . 3.570 4.428 4.224 4.611 1.041 15 20 [*************-+*****] 1
384 1 28 VAL HA 1 28 VAL QG . . 2.900 2.102 2.043 2.299 . 0 0 "[ . 1 . 2]" 1
385 1 28 VAL HA 1 29 VAL H . . 4.010 3.546 3.516 3.571 . 0 0 "[ . 1 . 2]" 1
386 1 28 VAL HA 1 31 GLN H . . 3.780 4.094 3.765 4.256 0.476 11 0 "[ . 1 . 2]" 1
387 1 28 VAL QG 1 29 VAL H . . 3.420 2.964 2.094 3.307 . 0 0 "[ . 1 . 2]" 1
388 1 28 VAL QG 1 30 GLY H . . 4.130 4.734 4.214 5.017 0.887 8 13 "[****.* + 1*- *** **]" 1
389 1 29 VAL H 1 29 VAL HB . . 3.300 2.550 2.493 2.667 . 0 0 "[ . 1 . 2]" 1
390 1 29 VAL H 1 29 VAL MG1 . . 4.490 3.767 3.761 3.775 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL H 1 29 VAL MG2 . . 3.810 2.230 1.929 2.401 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL H 1 30 GLY H . . 3.860 2.770 2.562 2.974 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL H 1 31 GLN H . . 4.430 4.347 4.055 4.708 0.278 9 0 "[ . 1 . 2]" 1
394 1 29 VAL HA 1 29 VAL MG1 . . 3.020 2.327 2.293 2.386 . 0 0 "[ . 1 . 2]" 1
395 1 29 VAL HA 1 30 GLY H . . 4.360 3.570 3.563 3.574 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL HA 1 30 GLY QA . . 5.100 4.491 4.478 4.503 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL HA 1 32 ALA H . . 4.110 4.082 3.991 4.130 0.020 8 0 "[ . 1 . 2]" 1
398 1 29 VAL HA 1 32 ALA MB . . 3.220 3.046 2.824 3.390 0.170 3 0 "[ . 1 . 2]" 1
399 1 29 VAL HA 1 33 ALA H . . 4.580 3.668 3.559 3.794 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL HB 1 30 GLY H . . 3.640 2.320 2.215 2.416 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL MG1 1 30 GLY H . . 4.340 3.220 3.069 3.359 . 0 0 "[ . 1 . 2]" 1
402 1 29 VAL MG2 1 30 GLY H . . 4.340 3.732 3.694 3.758 . 0 0 "[ . 1 . 2]" 1
403 1 30 GLY H 1 31 GLN H . . 3.810 2.915 2.859 2.996 . 0 0 "[ . 1 . 2]" 1
404 1 30 GLY H 1 32 ALA H . . 2.620 4.658 4.468 4.941 2.321 3 20 [**+*****-***********] 1
405 1 30 GLY QA 1 31 GLN H . . 3.160 2.591 2.513 2.684 . 0 0 "[ . 1 . 2]" 1
406 1 30 GLY QA 1 31 GLN HA . . 4.970 4.016 4.005 4.029 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLY QA 1 31 GLN QG . . 5.360 4.939 3.902 5.661 0.301 2 0 "[ . 1 . 2]" 1
408 1 30 GLY QA 1 33 ALA H . . 3.540 3.770 3.665 3.864 0.324 20 0 "[ . 1 . 2]" 1
409 1 30 GLY QA 1 33 ALA MB . . 3.450 2.650 2.418 2.890 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLN H 1 31 GLN QB . . 3.120 2.264 2.129 2.437 . 0 0 "[ . 1 . 2]" 1
411 1 31 GLN H 1 31 GLN QG . . 3.720 3.370 2.239 4.033 0.313 2 0 "[ . 1 . 2]" 1
412 1 31 GLN H 1 32 ALA H . . 3.820 2.979 2.939 3.047 . 0 0 "[ . 1 . 2]" 1
413 1 31 GLN H 1 33 ALA H . . 4.770 4.314 4.065 4.566 . 0 0 "[ . 1 . 2]" 1
414 1 31 GLN HA 1 31 GLN QG . . 3.670 2.405 2.244 2.680 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLN HA 1 32 ALA H . . 3.950 3.569 3.567 3.571 . 0 0 "[ . 1 . 2]" 1
416 1 31 GLN HA 1 33 ALA H . . 5.030 4.742 4.551 4.949 . 0 0 "[ . 1 . 2]" 1
417 1 31 GLN HA 1 34 THR H . . 3.880 3.696 3.622 3.762 . 0 0 "[ . 1 . 2]" 1
418 1 31 GLN QB 1 32 ALA H . . 3.510 2.171 2.013 2.326 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLN QG 1 32 ALA H . . 4.560 3.641 2.847 4.140 . 0 0 "[ . 1 . 2]" 1
420 1 31 GLN QG 1 32 ALA MB . . 4.300 4.654 3.680 5.340 1.040 5 8 "[ * +** 1* .- **]" 1
421 1 31 GLN QG 1 35 VAL QG . . 4.610 3.185 2.167 4.672 0.062 16 0 "[ . 1 . 2]" 1
422 1 32 ALA H 1 32 ALA MB . . 3.100 2.185 2.026 2.235 . 0 0 "[ . 1 . 2]" 1
423 1 32 ALA H 1 33 ALA H . . 2.800 2.892 2.816 2.973 0.173 12 0 "[ . 1 . 2]" 1
424 1 32 ALA H 1 34 THR H . . 4.030 4.295 4.191 4.431 0.401 3 0 "[ . 1 . 2]" 1
425 1 32 ALA HA 1 33 ALA H . . 4.260 3.561 3.545 3.572 . 0 0 "[ . 1 . 2]" 1
426 1 32 ALA HA 1 35 VAL H . . 4.320 3.491 3.428 3.522 . 0 0 "[ . 1 . 2]" 1
427 1 32 ALA HA 1 35 VAL HB . . 4.860 2.682 2.530 2.836 . 0 0 "[ . 1 . 2]" 1
428 1 32 ALA HA 1 35 VAL QG . . 3.700 2.834 2.685 2.950 . 0 0 "[ . 1 . 2]" 1
429 1 32 ALA HA 1 36 VAL H . . 4.860 3.889 3.776 3.984 . 0 0 "[ . 1 . 2]" 1
430 1 32 ALA MB 1 33 ALA H . . 3.090 2.383 2.176 2.634 . 0 0 "[ . 1 . 2]" 1
431 1 32 ALA MB 1 35 VAL H . . 5.290 4.578 4.529 4.601 . 0 0 "[ . 1 . 2]" 1
432 1 33 ALA H 1 33 ALA MB . . 3.220 2.223 2.197 2.235 . 0 0 "[ . 1 . 2]" 1
433 1 33 ALA H 1 34 THR H . . 4.100 2.799 2.765 2.858 . 0 0 "[ . 1 . 2]" 1
434 1 33 ALA H 1 35 VAL H . . 5.500 4.170 4.038 4.293 . 0 0 "[ . 1 . 2]" 1
435 1 33 ALA HA 1 34 THR H . . 3.400 3.550 3.542 3.558 0.158 3 0 "[ . 1 . 2]" 1
436 1 33 ALA HA 1 36 VAL H . . 4.140 3.609 3.537 3.681 . 0 0 "[ . 1 . 2]" 1
437 1 33 ALA HA 1 36 VAL HB . . 4.050 2.920 2.757 3.067 . 0 0 "[ . 1 . 2]" 1
438 1 33 ALA HA 1 36 VAL MG2 . . 3.600 3.285 3.054 3.537 . 0 0 "[ . 1 . 2]" 1
439 1 33 ALA HA 1 37 LYS H . . 4.260 3.581 3.482 3.755 . 0 0 "[ . 1 . 2]" 1
440 1 33 ALA HA 1 37 LYS QB . . 4.620 4.122 3.895 4.631 0.011 13 0 "[ . 1 . 2]" 1
441 1 33 ALA MB 1 34 THR H . . 3.300 2.466 2.385 2.524 . 0 0 "[ . 1 . 2]" 1
442 1 33 ALA MB 1 35 VAL H . . 5.500 4.487 4.400 4.557 . 0 0 "[ . 1 . 2]" 1
443 1 33 ALA MB 1 37 LYS H . . 4.910 4.312 4.212 4.409 . 0 0 "[ . 1 . 2]" 1
444 1 34 THR H 1 34 THR HB . . 3.240 2.646 2.521 3.620 0.380 8 0 "[ . 1 . 2]" 1
445 1 34 THR H 1 34 THR MG . . 3.780 3.626 2.302 3.769 . 0 0 "[ . 1 . 2]" 1
446 1 34 THR H 1 35 VAL H . . 2.900 2.629 2.585 2.674 . 0 0 "[ . 1 . 2]" 1
447 1 34 THR H 1 36 VAL H . . 2.970 4.112 4.057 4.185 1.215 3 20 [**+****************-] 1
448 1 34 THR HA 1 34 THR MG . . 3.010 2.326 2.265 2.394 . 0 0 "[ . 1 . 2]" 1
449 1 34 THR HA 1 35 VAL H . . 3.950 3.534 3.522 3.544 . 0 0 "[ . 1 . 2]" 1
450 1 34 THR HA 1 35 VAL QG . . 4.950 4.717 4.693 4.731 . 0 0 "[ . 1 . 2]" 1
451 1 34 THR HB 1 35 VAL H . . 3.750 2.744 2.576 3.736 . 0 0 "[ . 1 . 2]" 1
452 1 34 THR HB 1 37 LYS H . . 4.260 5.842 5.654 5.986 1.726 12 20 [*-*********+********] 1
453 1 34 THR MG 1 35 VAL H . . 3.990 3.558 3.444 3.944 . 0 0 "[ . 1 . 2]" 1
454 1 34 THR MG 1 37 LYS H . . 4.960 5.117 4.871 5.281 0.321 8 0 "[ . 1 . 2]" 1
455 1 35 VAL H 1 35 VAL HB . . 3.640 2.526 2.517 2.536 . 0 0 "[ . 1 . 2]" 1
456 1 35 VAL H 1 35 VAL QG . . 3.270 2.265 2.212 2.301 . 0 0 "[ . 1 . 2]" 1
457 1 35 VAL H 1 36 VAL H . . 3.460 2.602 2.581 2.631 . 0 0 "[ . 1 . 2]" 1
458 1 35 VAL H 1 37 LYS H . . 4.950 4.275 4.116 4.461 . 0 0 "[ . 1 . 2]" 1
459 1 35 VAL HA 1 36 VAL H . . 3.080 3.532 3.524 3.540 0.460 3 0 "[ . 1 . 2]" 1
460 1 35 VAL QG 1 36 VAL H . . 3.710 3.246 3.210 3.292 . 0 0 "[ . 1 . 2]" 1
461 1 35 VAL QG 1 37 LYS H . . 4.800 4.861 4.732 4.988 0.188 20 0 "[ . 1 . 2]" 1
462 1 36 VAL H 1 36 VAL HB . . 3.490 2.517 2.503 2.544 . 0 0 "[ . 1 . 2]" 1
463 1 36 VAL H 1 36 VAL MG1 . . 4.370 3.771 3.768 3.777 . 0 0 "[ . 1 . 2]" 1
464 1 36 VAL H 1 36 VAL MG2 . . 4.370 2.326 2.283 2.381 . 0 0 "[ . 1 . 2]" 1
465 1 36 VAL H 1 37 LYS H . . 3.750 2.619 2.507 2.709 . 0 0 "[ . 1 . 2]" 1
466 1 36 VAL HA 1 36 VAL MG1 . . 3.400 2.332 2.268 2.391 . 0 0 "[ . 1 . 2]" 1
467 1 36 VAL HA 1 36 VAL MG2 . . 3.400 2.365 2.314 2.383 . 0 0 "[ . 1 . 2]" 1
468 1 36 VAL HA 1 37 LYS H . . 3.820 3.560 3.545 3.570 . 0 0 "[ . 1 . 2]" 1
469 1 36 VAL HB 1 37 LYS H . . 4.050 2.374 2.223 2.543 . 0 0 "[ . 1 . 2]" 1
470 1 36 VAL MG1 1 37 LYS H . . 4.120 3.270 3.092 3.494 . 0 0 "[ . 1 . 2]" 1
471 1 36 VAL MG2 1 37 LYS H . . 4.120 3.746 3.670 3.815 . 0 0 "[ . 1 . 2]" 1
472 1 37 LYS H 1 37 LYS QB . . 3.730 2.286 2.213 2.547 . 0 0 "[ . 1 . 2]" 1
473 1 37 LYS H 1 37 LYS QD . . 4.750 4.213 3.314 4.469 . 0 0 "[ . 1 . 2]" 1
474 1 37 LYS H 1 37 LYS HG2 . . 4.290 4.227 2.757 4.628 0.338 1 0 "[ . 1 . 2]" 1
475 1 37 LYS HA 1 37 LYS QD . . 4.790 3.639 2.328 4.100 . 0 0 "[ . 1 . 2]" 1
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