NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511792 |
2l9q   |
17482 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9q
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 699
_Distance_constraint_stats_list.Viol_count 2784
_Distance_constraint_stats_list.Viol_total 4075.107
_Distance_constraint_stats_list.Viol_max 0.502
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0732
_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 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.025 0.012 10 0 "[ . 1 . 2]"
1 6 ARG 0.372 0.120 7 0 "[ . 1 . 2]"
1 7 LYS 0.255 0.079 7 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 3.040 0.110 10 0 "[ . 1 . 2]"
1 10 GLY 5.043 0.126 5 0 "[ . 1 . 2]"
1 11 GLU 2.910 0.375 8 0 "[ . 1 . 2]"
1 12 LYS 16.677 0.217 7 0 "[ . 1 . 2]"
1 13 ALA 16.751 0.188 9 0 "[ . 1 . 2]"
1 14 SER 6.378 0.188 9 0 "[ . 1 . 2]"
1 15 GLU 7.276 0.151 9 0 "[ . 1 . 2]"
1 16 ALA 9.047 0.183 9 0 "[ . 1 . 2]"
1 17 LEU 3.559 0.088 13 0 "[ . 1 . 2]"
1 18 LYS 2.399 0.502 19 1 "[ . 1 . +2]"
1 19 PRO 0.223 0.112 10 0 "[ . 1 . 2]"
1 20 ASP 1.765 0.302 15 0 "[ . 1 . 2]"
1 21 SER 0.806 0.302 15 0 "[ . 1 . 2]"
1 22 GLN 0.709 0.232 10 0 "[ . 1 . 2]"
1 23 LYS 1.522 0.232 17 0 "[ . 1 . 2]"
1 24 SER 3.396 0.289 7 0 "[ . 1 . 2]"
1 25 TYR 4.639 0.289 7 0 "[ . 1 . 2]"
1 26 ALA 1.202 0.065 8 0 "[ . 1 . 2]"
1 27 GLU 3.723 0.101 4 0 "[ . 1 . 2]"
1 28 GLN 11.069 0.151 4 0 "[ . 1 . 2]"
1 29 GLY 5.559 0.210 2 0 "[ . 1 . 2]"
1 30 LYS 12.399 0.189 15 0 "[ . 1 . 2]"
1 31 GLU 8.342 0.189 15 0 "[ . 1 . 2]"
1 32 TYR 10.011 0.210 2 0 "[ . 1 . 2]"
1 33 ILE 16.417 0.251 10 0 "[ . 1 . 2]"
1 34 THR 13.946 0.254 19 0 "[ . 1 . 2]"
1 35 ASP 12.657 0.254 19 0 "[ . 1 . 2]"
1 36 LYS 7.384 0.163 15 0 "[ . 1 . 2]"
1 37 ALA 1.373 0.042 1 0 "[ . 1 . 2]"
1 38 ASP 0.119 0.016 14 0 "[ . 1 . 2]"
1 39 LYS 5.066 0.176 14 0 "[ . 1 . 2]"
1 40 VAL 9.145 0.160 3 0 "[ . 1 . 2]"
1 41 ALA 3.504 0.238 14 0 "[ . 1 . 2]"
1 42 GLY 1.813 0.089 9 0 "[ . 1 . 2]"
1 43 LYS 6.623 0.176 14 0 "[ . 1 . 2]"
1 44 VAL 5.275 0.238 14 0 "[ . 1 . 2]"
1 45 GLN 2.245 0.380 18 0 "[ . 1 . 2]"
1 46 PRO 0.937 0.394 20 0 "[ . 1 . 2]"
1 47 GLU 1.697 0.394 20 0 "[ . 1 . 2]"
1 48 ASP 0.901 0.134 14 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.511 0.089 19 0 "[ . 1 . 2]"
1 51 GLY 0.661 0.089 19 0 "[ . 1 . 2]"
1 52 VAL 6.085 0.190 18 0 "[ . 1 . 2]"
1 53 PHE 5.926 0.190 18 0 "[ . 1 . 2]"
1 54 GLN 1.183 0.060 4 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.857 0.108 10 0 "[ . 1 . 2]"
1 57 HIS 0.002 0.002 20 0 "[ . 1 . 2]"
1 58 ASP 0.142 0.009 1 0 "[ . 1 . 2]"
1 59 SER 0.142 0.009 1 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.003 0.001 20 0 "[ . 1 . 2]"
1 63 GLY 0.002 0.001 20 0 "[ . 1 . 2]"
1 64 LYS 0.001 0.001 1 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.546 0.192 16 0 "[ . 1 . 2]"
1 74 LEU 1.024 0.072 16 0 "[ . 1 . 2]"
1 75 ALA 2.028 0.192 16 0 "[ . 1 . 2]"
1 76 ASP 0.386 0.067 16 0 "[ . 1 . 2]"
1 77 GLN 0.194 0.048 6 0 "[ . 1 . 2]"
1 78 ALA 0.571 0.074 16 0 "[ . 1 . 2]"
1 79 ARG 3.823 0.259 9 0 "[ . 1 . 2]"
1 80 ASP 3.743 0.259 9 0 "[ . 1 . 2]"
1 81 TYR 0.070 0.008 8 0 "[ . 1 . 2]"
1 82 MET 0.103 0.011 8 0 "[ . 1 . 2]"
1 83 GLY 0.556 0.210 10 0 "[ . 1 . 2]"
1 84 ALA 0.003 0.002 15 0 "[ . 1 . 2]"
1 85 ALA 2.006 0.141 18 0 "[ . 1 . 2]"
1 86 LYS 2.813 0.230 15 0 "[ . 1 . 2]"
1 87 SER 0.794 0.164 18 0 "[ . 1 . 2]"
1 88 LYS 6.525 0.202 17 0 "[ . 1 . 2]"
1 89 LEU 5.744 0.230 15 0 "[ . 1 . 2]"
1 90 ASN 2.196 0.137 15 0 "[ . 1 . 2]"
1 91 ASP 3.673 0.141 16 0 "[ . 1 . 2]"
1 92 ALA 5.488 0.167 1 0 "[ . 1 . 2]"
1 93 VAL 11.355 0.213 17 0 "[ . 1 . 2]"
1 94 GLU 7.925 0.188 1 0 "[ . 1 . 2]"
1 95 TYR 1.701 0.057 15 0 "[ . 1 . 2]"
1 96 VAL 10.750 0.157 7 0 "[ . 1 . 2]"
1 97 SER 8.889 0.208 7 0 "[ . 1 . 2]"
1 98 GLY 5.681 0.208 7 0 "[ . 1 . 2]"
1 99 ARG 3.704 0.186 7 0 "[ . 1 . 2]"
1 100 VAL 2.954 0.197 4 0 "[ . 1 . 2]"
1 101 HIS 0.448 0.197 4 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 THR 0.000 0.000 . 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 4 ALA MB 1 5 GLY H . . 5.500 2.319 1.980 2.817 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLY HA2 1 6 ARG H . . 3.350 2.636 2.146 3.361 0.011 2 0 "[ . 1 . 2]" 1
3 1 5 GLY HA3 1 6 ARG H . . 3.350 2.727 2.139 3.362 0.012 10 0 "[ . 1 . 2]" 1
4 1 6 ARG H 1 6 ARG HB3 . . 3.970 3.766 3.204 4.090 0.120 7 0 "[ . 1 . 2]" 1
5 1 6 ARG H 1 6 ARG HG3 . . 4.090 3.252 2.134 4.091 0.001 1 0 "[ . 1 . 2]" 1
6 1 6 ARG HA 1 6 ARG HD3 . . 4.600 4.327 3.558 4.600 . 16 0 "[ . 1 . 2]" 1
7 1 6 ARG HA 1 6 ARG HG3 . . 3.500 3.052 2.287 3.506 0.006 1 0 "[ . 1 . 2]" 1
8 1 6 ARG HA 1 7 LYS H . . 3.150 2.587 2.140 3.171 0.021 15 0 "[ . 1 . 2]" 1
9 1 6 ARG HB3 1 6 ARG HD3 . . 4.020 2.983 2.022 3.602 . 0 0 "[ . 1 . 2]" 1
10 1 6 ARG HB3 1 7 LYS H . . 4.190 2.735 1.957 4.269 0.079 7 0 "[ . 1 . 2]" 1
11 1 6 ARG HG3 1 7 LYS H . . 5.140 4.620 3.910 5.166 0.026 7 0 "[ . 1 . 2]" 1
12 1 7 LYS H 1 7 LYS HB3 . . 4.180 3.701 2.896 4.080 . 0 0 "[ . 1 . 2]" 1
13 1 7 LYS H 1 7 LYS HE3 . . 5.500 4.947 2.423 5.499 . 0 0 "[ . 1 . 2]" 1
14 1 7 LYS H 1 7 LYS HG3 . . 5.160 3.819 2.648 4.632 . 0 0 "[ . 1 . 2]" 1
15 1 7 LYS H 1 10 GLY HA2 . . 5.100 4.955 4.015 5.145 0.045 19 0 "[ . 1 . 2]" 1
16 1 7 LYS H 1 10 GLY QA . . 4.400 3.597 2.590 4.213 . 0 0 "[ . 1 . 2]" 1
17 1 7 LYS H 1 10 GLY HA3 . . 5.100 3.710 2.623 4.492 . 0 0 "[ . 1 . 2]" 1
18 1 7 LYS HA 1 8 GLY H . . 3.020 2.498 2.156 2.758 . 0 0 "[ . 1 . 2]" 1
19 1 7 LYS HB3 1 8 GLY H . . 4.090 2.857 1.971 4.089 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS HG3 1 8 GLY H . . 5.120 3.811 2.351 5.078 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLY QA 1 9 PHE H . . 2.980 2.590 2.168 2.878 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLY QA 1 10 GLY H . . 4.340 3.788 3.530 3.934 . 0 0 "[ . 1 . 2]" 1
23 1 9 PHE H 1 9 PHE HB3 . . 3.150 3.157 3.152 3.171 0.021 19 0 "[ . 1 . 2]" 1
24 1 9 PHE H 1 10 GLY H . . 3.110 2.380 2.246 2.627 . 0 0 "[ . 1 . 2]" 1
25 1 9 PHE HA 1 9 PHE QD . . 3.670 2.573 2.304 2.990 . 0 0 "[ . 1 . 2]" 1
26 1 9 PHE HA 1 10 GLY H . . 3.410 3.455 3.446 3.468 0.058 12 0 "[ . 1 . 2]" 1
27 1 9 PHE HA 1 12 LYS H . . 4.200 3.585 3.496 3.606 . 0 0 "[ . 1 . 2]" 1
28 1 9 PHE HA 1 12 LYS HB3 . . 4.450 4.550 4.511 4.560 0.110 10 0 "[ . 1 . 2]" 1
29 1 9 PHE HB3 1 10 GLY H . . 3.530 3.258 3.186 3.297 . 0 0 "[ . 1 . 2]" 1
30 1 9 PHE QD 1 13 ALA MB . . 4.480 3.511 3.028 3.931 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLY H 1 10 GLY HA2 . . 2.870 2.792 2.761 2.823 . 0 0 "[ . 1 . 2]" 1
32 1 10 GLY H 1 10 GLY QA . . 2.450 2.194 2.190 2.200 . 0 0 "[ . 1 . 2]" 1
33 1 10 GLY H 1 10 GLY HA3 . . 2.870 2.295 2.293 2.298 . 0 0 "[ . 1 . 2]" 1
34 1 10 GLY H 1 11 GLU H . . 3.010 2.912 2.823 2.988 . 0 0 "[ . 1 . 2]" 1
35 1 10 GLY H 1 13 ALA MB . . 4.300 4.353 4.344 4.371 0.071 7 0 "[ . 1 . 2]" 1
36 1 10 GLY QA 1 11 GLU H . . 3.000 2.564 2.562 2.568 . 0 0 "[ . 1 . 2]" 1
37 1 10 GLY QA 1 12 LYS H . . 4.210 4.186 3.818 4.258 0.048 19 0 "[ . 1 . 2]" 1
38 1 10 GLY QA 1 13 ALA H . . 4.250 3.478 3.288 3.517 . 0 0 "[ . 1 . 2]" 1
39 1 10 GLY QA 1 13 ALA MB . . 3.180 2.399 2.318 2.422 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLY QA 1 14 SER H . . 4.600 3.910 3.793 3.986 . 0 0 "[ . 1 . 2]" 1
41 1 10 GLY HA2 1 13 ALA MB . . 3.780 2.422 2.337 2.446 . 0 0 "[ . 1 . 2]" 1
42 1 10 GLY HA3 1 13 ALA MB . . 3.780 3.899 3.873 3.906 0.126 5 0 "[ . 1 . 2]" 1
43 1 11 GLU H 1 11 GLU HB3 . . 3.200 3.180 2.228 3.575 0.375 8 0 "[ . 1 . 2]" 1
44 1 11 GLU H 1 11 GLU HG3 . . 3.900 3.434 2.082 3.969 0.069 7 0 "[ . 1 . 2]" 1
45 1 11 GLU H 1 12 LYS H . . 3.340 2.870 2.761 2.902 . 0 0 "[ . 1 . 2]" 1
46 1 11 GLU HA 1 11 GLU HG3 . . 3.610 3.248 3.110 3.727 0.117 3 0 "[ . 1 . 2]" 1
47 1 11 GLU HA 1 13 ALA H . . 4.870 4.595 4.542 4.708 . 0 0 "[ . 1 . 2]" 1
48 1 11 GLU HG3 1 12 LYS H . . 4.950 4.377 1.939 4.990 0.040 2 0 "[ . 1 . 2]" 1
49 1 12 LYS H 1 12 LYS HB3 . . 3.400 3.585 3.579 3.617 0.217 7 0 "[ . 1 . 2]" 1
50 1 12 LYS H 1 12 LYS HG3 . . 3.720 2.936 2.426 3.638 . 0 0 "[ . 1 . 2]" 1
51 1 12 LYS H 1 13 ALA H . . 3.080 2.704 2.490 2.756 . 0 0 "[ . 1 . 2]" 1
52 1 12 LYS HA 1 12 LYS HD3 . . 4.150 3.176 2.010 3.769 . 0 0 "[ . 1 . 2]" 1
53 1 12 LYS HA 1 12 LYS HG3 . . 3.710 3.719 3.661 3.794 0.084 7 0 "[ . 1 . 2]" 1
54 1 12 LYS HA 1 13 ALA H . . 3.380 3.547 3.545 3.549 0.169 5 0 "[ . 1 . 2]" 1
55 1 12 LYS HA 1 15 GLU H . . 3.310 3.359 3.350 3.380 0.070 9 0 "[ . 1 . 2]" 1
56 1 12 LYS HA 1 15 GLU HB3 . . 3.880 3.916 3.875 3.962 0.082 7 0 "[ . 1 . 2]" 1
57 1 12 LYS HA 1 16 ALA H . . 4.100 4.141 4.127 4.242 0.142 9 0 "[ . 1 . 2]" 1
58 1 12 LYS HB3 1 12 LYS HD3 . . 4.170 2.969 2.474 3.681 . 0 0 "[ . 1 . 2]" 1
59 1 12 LYS HB3 1 13 ALA H . . 3.570 3.727 3.718 3.737 0.167 3 0 "[ . 1 . 2]" 1
60 1 13 ALA H 1 13 ALA MB . . 2.570 2.086 2.069 2.093 . 0 0 "[ . 1 . 2]" 1
61 1 13 ALA H 1 14 SER H . . 3.150 2.910 2.896 2.941 . 0 0 "[ . 1 . 2]" 1
62 1 13 ALA HA 1 14 SER H . . 3.380 3.566 3.562 3.568 0.188 9 0 "[ . 1 . 2]" 1
63 1 13 ALA HA 1 16 ALA H . . 3.460 3.394 3.363 3.475 0.015 9 0 "[ . 1 . 2]" 1
64 1 13 ALA HA 1 16 ALA MB . . 3.260 2.771 2.615 2.827 . 0 0 "[ . 1 . 2]" 1
65 1 13 ALA HA 1 17 LEU H . . 5.500 4.269 4.029 4.626 . 0 0 "[ . 1 . 2]" 1
66 1 13 ALA MB 1 14 SER H . . 2.920 2.496 2.457 2.527 . 0 0 "[ . 1 . 2]" 1
67 1 13 ALA MB 1 14 SER HA . . 3.770 3.689 3.678 3.695 . 0 0 "[ . 1 . 2]" 1
68 1 13 ALA MB 1 16 ALA H . . 4.340 4.496 4.475 4.523 0.183 9 0 "[ . 1 . 2]" 1
69 1 13 ALA MB 1 17 LEU QD . . 3.680 3.336 2.794 3.487 . 0 0 "[ . 1 . 2]" 1
70 1 14 SER H 1 14 SER HB3 . . 3.460 3.159 2.658 3.460 0.000 12 0 "[ . 1 . 2]" 1
71 1 14 SER H 1 15 GLU H . . 3.140 2.631 2.625 2.656 . 0 0 "[ . 1 . 2]" 1
72 1 14 SER HA 1 15 GLU H . . 3.340 3.473 3.470 3.491 0.151 9 0 "[ . 1 . 2]" 1
73 1 14 SER HA 1 17 LEU H . . 4.650 3.814 3.628 3.892 . 0 0 "[ . 1 . 2]" 1
74 1 14 SER HA 1 17 LEU QD . . 4.550 1.900 1.811 2.017 . 0 0 "[ . 1 . 2]" 1
75 1 14 SER HB3 1 15 GLU H . . 3.970 3.223 2.930 3.520 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLU H 1 15 GLU HB3 . . 3.990 3.563 3.555 3.565 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLU H 1 15 GLU HG3 . . 3.540 3.138 3.053 3.246 . 0 0 "[ . 1 . 2]" 1
78 1 15 GLU HA 1 15 GLU HG3 . . 3.670 3.519 3.507 3.534 . 0 0 "[ . 1 . 2]" 1
79 1 15 GLU HA 1 18 LYS H . . 3.930 3.573 3.186 3.801 . 0 0 "[ . 1 . 2]" 1
80 1 15 GLU HB3 1 16 ALA H . . 3.530 3.614 3.571 3.626 0.096 16 0 "[ . 1 . 2]" 1
81 1 15 GLU HG3 1 16 ALA H . . 4.720 4.780 4.763 4.826 0.106 7 0 "[ . 1 . 2]" 1
82 1 16 ALA H 1 16 ALA MB . . 2.570 2.220 2.036 2.245 . 0 0 "[ . 1 . 2]" 1
83 1 16 ALA H 1 17 LEU H . . 3.050 2.745 2.539 2.836 . 0 0 "[ . 1 . 2]" 1
84 1 16 ALA H 1 17 LEU HG . . 4.010 4.006 3.695 4.082 0.072 8 0 "[ . 1 . 2]" 1
85 1 16 ALA HA 1 17 LEU H . . 3.500 3.557 3.443 3.573 0.073 9 0 "[ . 1 . 2]" 1
86 1 16 ALA MB 1 17 LEU H . . 3.040 2.353 2.223 2.924 . 0 0 "[ . 1 . 2]" 1
87 1 16 ALA MB 1 17 LEU QD . . 4.000 3.966 3.380 4.012 0.012 12 0 "[ . 1 . 2]" 1
88 1 17 LEU H 1 17 LEU HB3 . . 3.560 2.561 2.464 2.909 . 0 0 "[ . 1 . 2]" 1
89 1 17 LEU H 1 17 LEU MD1 . . 4.100 3.678 3.295 3.787 . 0 0 "[ . 1 . 2]" 1
90 1 17 LEU H 1 17 LEU QD . . 3.480 2.903 2.475 2.947 . 0 0 "[ . 1 . 2]" 1
91 1 17 LEU H 1 17 LEU MD2 . . 4.100 3.051 2.522 3.321 . 0 0 "[ . 1 . 2]" 1
92 1 17 LEU H 1 17 LEU HG . . 3.580 2.194 1.906 2.338 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU H 1 18 LYS H . . 3.070 2.657 2.139 2.800 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU HA 1 17 LEU MD1 . . 4.360 3.594 3.559 3.951 . 0 0 "[ . 1 . 2]" 1
95 1 17 LEU HA 1 17 LEU QD . . 3.300 3.355 3.346 3.388 0.088 13 0 "[ . 1 . 2]" 1
96 1 17 LEU HA 1 17 LEU MD2 . . 4.360 4.038 3.686 4.068 . 0 0 "[ . 1 . 2]" 1
97 1 17 LEU HA 1 17 LEU HG . . 3.670 3.672 3.578 3.684 0.014 5 0 "[ . 1 . 2]" 1
98 1 17 LEU HB3 1 17 LEU MD1 . . 3.300 3.118 2.967 3.139 . 0 0 "[ . 1 . 2]" 1
99 1 17 LEU HB3 1 17 LEU MD2 . . 3.300 2.140 1.979 2.205 . 0 0 "[ . 1 . 2]" 1
100 1 17 LEU HB3 1 18 LYS H . . 4.050 3.913 3.876 4.049 . 0 0 "[ . 1 . 2]" 1
101 1 17 LEU QD 1 18 LYS H . . 3.770 2.461 2.343 2.631 . 0 0 "[ . 1 . 2]" 1
102 1 17 LEU MD1 1 18 LYS H . . 4.480 2.493 2.362 2.681 . 0 0 "[ . 1 . 2]" 1
103 1 17 LEU MD2 1 18 LYS H . . 4.480 3.796 3.748 4.044 . 0 0 "[ . 1 . 2]" 1
104 1 17 LEU HG 1 18 LYS H . . 5.190 2.086 2.014 2.434 . 0 0 "[ . 1 . 2]" 1
105 1 17 LEU HG 1 18 LYS HA . . 4.440 4.264 4.102 4.477 0.037 9 0 "[ . 1 . 2]" 1
106 1 18 LYS H 1 18 LYS HB3 . . 3.280 3.251 2.137 3.458 0.178 9 0 "[ . 1 . 2]" 1
107 1 18 LYS H 1 18 LYS HG3 . . 3.870 3.564 3.057 4.372 0.502 19 1 "[ . 1 . +2]" 1
108 1 18 LYS H 1 19 PRO HD3 . . 5.500 4.997 4.388 5.093 . 0 0 "[ . 1 . 2]" 1
109 1 18 LYS HA 1 18 LYS HD3 . . 4.950 3.975 3.641 4.737 . 0 0 "[ . 1 . 2]" 1
110 1 18 LYS HA 1 19 PRO HD3 . . 3.080 2.347 2.255 2.426 . 0 0 "[ . 1 . 2]" 1
111 1 19 PRO HA 1 20 ASP H . . 3.000 2.616 2.429 2.661 . 0 0 "[ . 1 . 2]" 1
112 1 19 PRO HB3 1 20 ASP H . . 4.450 3.344 3.189 4.562 0.112 10 0 "[ . 1 . 2]" 1
113 1 19 PRO HD3 1 20 ASP H . . 5.500 5.359 5.113 5.392 . 0 0 "[ . 1 . 2]" 1
114 1 20 ASP H 1 20 ASP HA . . 2.770 2.806 2.762 2.922 0.152 16 0 "[ . 1 . 2]" 1
115 1 20 ASP H 1 20 ASP HB3 . . 3.650 3.478 2.697 3.654 0.004 15 0 "[ . 1 . 2]" 1
116 1 20 ASP HA 1 21 SER H . . 3.250 2.759 2.310 3.552 0.302 15 0 "[ . 1 . 2]" 1
117 1 21 SER HA 1 21 SER HB3 . . 2.970 2.593 2.242 2.965 . 0 0 "[ . 1 . 2]" 1
118 1 22 GLN H 1 23 LYS H . . 4.810 3.606 1.900 4.645 . 0 0 "[ . 1 . 2]" 1
119 1 22 GLN HA 1 22 GLN HG3 . . 3.990 2.935 2.088 3.751 . 0 0 "[ . 1 . 2]" 1
120 1 22 GLN HA 1 23 LYS H . . 3.320 2.940 2.207 3.552 0.232 10 0 "[ . 1 . 2]" 1
121 1 22 GLN HB3 1 23 LYS H . . 3.930 2.925 1.995 3.938 0.008 11 0 "[ . 1 . 2]" 1
122 1 23 LYS H 1 23 LYS HB3 . . 3.740 3.407 2.607 3.972 0.232 17 0 "[ . 1 . 2]" 1
123 1 23 LYS H 1 23 LYS HG3 . . 4.310 3.520 2.452 4.320 0.010 1 0 "[ . 1 . 2]" 1
124 1 23 LYS H 1 24 SER H . . 4.450 4.034 2.802 4.533 0.083 1 0 "[ . 1 . 2]" 1
125 1 23 LYS HA 1 24 SER H . . 3.160 2.416 2.142 2.952 . 0 0 "[ . 1 . 2]" 1
126 1 23 LYS HB3 1 23 LYS HE3 . . 5.310 4.138 2.738 5.301 . 0 0 "[ . 1 . 2]" 1
127 1 23 LYS HB3 1 24 SER H . . 4.890 3.752 1.970 4.633 . 0 0 "[ . 1 . 2]" 1
128 1 24 SER H 1 25 TYR H . . 4.780 3.223 1.916 4.359 . 0 0 "[ . 1 . 2]" 1
129 1 24 SER HA 1 25 TYR H . . 3.000 3.043 2.718 3.289 0.289 7 0 "[ . 1 . 2]" 1
130 1 24 SER HA 1 27 GLU H . . 4.820 4.113 3.669 4.741 . 0 0 "[ . 1 . 2]" 1
131 1 24 SER HB3 1 25 TYR H . . 3.950 3.306 2.060 3.972 0.022 8 0 "[ . 1 . 2]" 1
132 1 25 TYR H 1 25 TYR HB3 . . 3.440 3.296 3.056 3.440 0.000 10 0 "[ . 1 . 2]" 1
133 1 25 TYR H 1 25 TYR QD . . 4.370 3.176 2.694 3.697 . 0 0 "[ . 1 . 2]" 1
134 1 25 TYR HA 1 25 TYR QD . . 3.380 2.623 2.297 2.992 . 0 0 "[ . 1 . 2]" 1
135 1 25 TYR HA 1 26 ALA H . . 3.520 3.486 3.467 3.506 . 0 0 "[ . 1 . 2]" 1
136 1 25 TYR HA 1 27 GLU H . . 5.190 4.247 4.229 4.269 . 0 0 "[ . 1 . 2]" 1
137 1 25 TYR HA 1 28 GLN H . . 4.230 3.116 3.095 3.145 . 0 0 "[ . 1 . 2]" 1
138 1 25 TYR HA 1 28 GLN HB3 . . 3.640 3.710 3.697 3.726 0.086 2 0 "[ . 1 . 2]" 1
139 1 25 TYR HA 1 29 GLY H . . 4.360 3.722 3.692 3.770 . 0 0 "[ . 1 . 2]" 1
140 1 25 TYR HB3 1 26 ALA H . . 3.580 3.188 2.868 3.406 . 0 0 "[ . 1 . 2]" 1
141 1 26 ALA H 1 26 ALA MB . . 2.650 2.099 2.029 2.235 . 0 0 "[ . 1 . 2]" 1
142 1 26 ALA H 1 27 GLU H . . 3.050 2.869 2.860 2.876 . 0 0 "[ . 1 . 2]" 1
143 1 26 ALA HA 1 29 GLY H . . 4.440 4.121 4.092 4.140 . 0 0 "[ . 1 . 2]" 1
144 1 26 ALA HA 1 30 LYS H . . 4.420 4.480 4.476 4.485 0.065 8 0 "[ . 1 . 2]" 1
145 1 26 ALA MB 1 27 GLU H . . 3.050 2.531 2.410 2.612 . 0 0 "[ . 1 . 2]" 1
146 1 26 ALA MB 1 27 GLU HA . . 4.140 3.769 3.723 3.853 . 0 0 "[ . 1 . 2]" 1
147 1 27 GLU H 1 27 GLU HB3 . . 3.300 3.210 3.036 3.342 0.042 2 0 "[ . 1 . 2]" 1
148 1 27 GLU H 1 28 GLN H . . 3.060 2.451 2.445 2.456 . 0 0 "[ . 1 . 2]" 1
149 1 27 GLU H 1 29 GLY H . . 4.280 4.351 4.346 4.358 0.078 2 0 "[ . 1 . 2]" 1
150 1 27 GLU HA 1 27 GLU HG3 . . 3.620 2.816 2.021 3.580 . 0 0 "[ . 1 . 2]" 1
151 1 27 GLU HA 1 28 GLN H . . 3.550 3.519 3.515 3.523 . 0 0 "[ . 1 . 2]" 1
152 1 27 GLU HA 1 29 GLY H . . 4.550 4.564 4.556 4.571 0.021 18 0 "[ . 1 . 2]" 1
153 1 27 GLU HA 1 30 LYS H . . 3.650 3.610 3.603 3.620 . 0 0 "[ . 1 . 2]" 1
154 1 27 GLU HA 1 30 LYS HB3 . . 4.260 4.355 4.351 4.361 0.101 4 0 "[ . 1 . 2]" 1
155 1 27 GLU HA 1 30 LYS HE3 . . 5.340 4.948 4.381 5.207 . 0 0 "[ . 1 . 2]" 1
156 1 27 GLU HA 1 31 GLU H . . 3.920 3.817 3.801 3.829 . 0 0 "[ . 1 . 2]" 1
157 1 27 GLU HB3 1 28 GLN H . . 3.470 3.011 2.833 3.143 . 0 0 "[ . 1 . 2]" 1
158 1 28 GLN H 1 28 GLN HB3 . . 3.530 3.588 3.587 3.589 0.059 2 0 "[ . 1 . 2]" 1
159 1 28 GLN H 1 28 GLN HG3 . . 3.470 2.134 2.112 2.160 . 0 0 "[ . 1 . 2]" 1
160 1 28 GLN H 1 29 GLY H . . 3.040 2.869 2.853 2.879 . 0 0 "[ . 1 . 2]" 1
161 1 28 GLN HA 1 28 GLN HB3 . . 2.930 2.442 2.438 2.446 . 0 0 "[ . 1 . 2]" 1
162 1 28 GLN HA 1 28 GLN HG3 . . 3.250 3.326 3.321 3.333 0.083 3 0 "[ . 1 . 2]" 1
163 1 28 GLN HA 1 30 LYS H . . 5.110 4.862 4.843 4.890 . 0 0 "[ . 1 . 2]" 1
164 1 28 GLN HA 1 31 GLU H . . 3.940 4.025 4.008 4.040 0.100 10 0 "[ . 1 . 2]" 1
165 1 28 GLN HA 1 32 TYR H . . 4.230 4.327 4.291 4.381 0.151 4 0 "[ . 1 . 2]" 1
166 1 28 GLN HB3 1 28 GLN HG3 . . 2.860 2.996 2.994 2.998 0.138 16 0 "[ . 1 . 2]" 1
167 1 28 GLN HB3 1 29 GLY H . . 3.640 3.509 3.499 3.518 . 0 0 "[ . 1 . 2]" 1
168 1 28 GLN HG3 1 29 GLY H . . 4.050 4.081 4.068 4.096 0.046 3 0 "[ . 1 . 2]" 1
169 1 29 GLY H 1 29 GLY QA . . 2.540 2.196 2.195 2.198 . 0 0 "[ . 1 . 2]" 1
170 1 29 GLY H 1 30 LYS H . . 3.090 2.836 2.828 2.845 . 0 0 "[ . 1 . 2]" 1
171 1 29 GLY H 1 31 GLU H . . 4.990 4.494 4.453 4.522 . 0 0 "[ . 1 . 2]" 1
172 1 29 GLY QA 1 30 LYS H . . 3.040 2.600 2.591 2.606 . 0 0 "[ . 1 . 2]" 1
173 1 29 GLY QA 1 33 ILE H . . 4.830 4.119 4.027 4.291 . 0 0 "[ . 1 . 2]" 1
174 1 29 GLY HA2 1 32 TYR H . . 4.290 3.439 3.414 3.458 . 0 0 "[ . 1 . 2]" 1
175 1 29 GLY HA2 1 32 TYR HB3 . . 4.300 2.664 2.527 2.913 . 0 0 "[ . 1 . 2]" 1
176 1 29 GLY HA2 1 33 ILE H . . 5.500 4.339 4.234 4.535 . 0 0 "[ . 1 . 2]" 1
177 1 29 GLY HA3 1 32 TYR H . . 4.290 4.452 4.433 4.500 0.210 2 0 "[ . 1 . 2]" 1
178 1 29 GLY HA3 1 32 TYR HB3 . . 4.300 4.093 3.998 4.267 . 0 0 "[ . 1 . 2]" 1
179 1 29 GLY HA3 1 33 ILE H . . 5.500 5.129 5.039 5.298 . 0 0 "[ . 1 . 2]" 1
180 1 30 LYS H 1 30 LYS HB3 . . 3.820 3.593 3.590 3.594 . 0 0 "[ . 1 . 2]" 1
181 1 30 LYS H 1 30 LYS HD3 . . 4.790 3.829 3.740 4.498 . 0 0 "[ . 1 . 2]" 1
182 1 30 LYS H 1 30 LYS HG3 . . 3.810 2.028 2.019 2.037 . 0 0 "[ . 1 . 2]" 1
183 1 30 LYS H 1 31 GLU H . . 3.000 2.965 2.954 2.973 . 0 0 "[ . 1 . 2]" 1
184 1 30 LYS HA 1 30 LYS HB3 . . 2.920 2.470 2.468 2.472 . 0 0 "[ . 1 . 2]" 1
185 1 30 LYS HA 1 30 LYS HD3 . . 5.010 4.527 4.518 4.580 . 0 0 "[ . 1 . 2]" 1
186 1 30 LYS HA 1 30 LYS HG3 . . 3.440 2.851 2.847 2.856 . 0 0 "[ . 1 . 2]" 1
187 1 30 LYS HA 1 33 ILE H . . 4.050 3.681 3.638 3.771 . 0 0 "[ . 1 . 2]" 1
188 1 30 LYS HA 1 33 ILE HB . . 3.720 3.798 3.775 3.830 0.110 1 0 "[ . 1 . 2]" 1
189 1 30 LYS HA 1 33 ILE MD . . 3.790 2.961 1.866 3.699 . 0 0 "[ . 1 . 2]" 1
190 1 30 LYS HA 1 33 ILE HG13 . . 4.490 3.526 2.898 4.452 . 0 0 "[ . 1 . 2]" 1
191 1 30 LYS HA 1 33 ILE MG . . 4.920 4.975 4.957 5.006 0.086 1 0 "[ . 1 . 2]" 1
192 1 30 LYS HA 1 34 THR H . . 5.190 4.372 4.237 4.540 . 0 0 "[ . 1 . 2]" 1
193 1 30 LYS HB3 1 30 LYS HD3 . . 3.910 2.842 2.719 2.870 . 0 0 "[ . 1 . 2]" 1
194 1 30 LYS HB3 1 30 LYS HE3 . . 4.750 3.573 2.745 4.512 . 0 0 "[ . 1 . 2]" 1
195 1 30 LYS HB3 1 31 GLU H . . 3.220 3.368 3.344 3.402 0.182 15 0 "[ . 1 . 2]" 1
196 1 30 LYS HG3 1 31 GLU H . . 4.040 4.224 4.216 4.229 0.189 15 0 "[ . 1 . 2]" 1
197 1 31 GLU HA 1 34 THR H . . 4.380 3.510 3.354 3.707 . 0 0 "[ . 1 . 2]" 1
198 1 31 GLU HA 1 34 THR HB . . 4.590 3.559 2.473 4.453 . 0 0 "[ . 1 . 2]" 1
199 1 31 GLU HA 1 34 THR MG . . 4.220 2.969 2.839 3.203 . 0 0 "[ . 1 . 2]" 1
200 1 31 GLU HA 1 35 ASP H . . 4.130 3.968 3.792 4.135 0.005 1 0 "[ . 1 . 2]" 1
201 1 32 TYR H 1 32 TYR HB3 . . 3.180 2.618 2.586 2.680 . 0 0 "[ . 1 . 2]" 1
202 1 32 TYR H 1 33 ILE H . . 3.230 2.723 2.662 2.823 . 0 0 "[ . 1 . 2]" 1
203 1 32 TYR HA 1 32 TYR QD . . 3.450 2.995 2.939 3.086 . 0 0 "[ . 1 . 2]" 1
204 1 32 TYR HA 1 35 ASP H . . 4.570 3.843 3.693 3.997 . 0 0 "[ . 1 . 2]" 1
205 1 32 TYR HA 1 35 ASP HB3 . . 3.870 3.829 3.627 3.912 0.042 12 0 "[ . 1 . 2]" 1
206 1 32 TYR HB3 1 33 ILE H . . 3.610 2.438 2.285 2.514 . 0 0 "[ . 1 . 2]" 1
207 1 32 TYR QD 1 33 ILE HA . . 4.210 3.105 2.826 3.251 . 0 0 "[ . 1 . 2]" 1
208 1 32 TYR QD 1 33 ILE MD . . 4.130 4.228 4.158 4.273 0.143 16 0 "[ . 1 . 2]" 1
209 1 32 TYR QD 1 33 ILE HG13 . . 4.620 3.639 2.916 4.110 . 0 0 "[ . 1 . 2]" 1
210 1 32 TYR QD 1 33 ILE MG . . 4.210 4.343 4.300 4.402 0.192 1 0 "[ . 1 . 2]" 1
211 1 33 ILE H 1 33 ILE HB . . 3.230 2.741 2.705 2.767 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE H 1 33 ILE MD . . 3.970 3.054 2.064 3.696 . 0 0 "[ . 1 . 2]" 1
213 1 33 ILE H 1 33 ILE HG13 . . 3.710 2.131 2.066 2.240 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE H 1 33 ILE MG . . 3.760 3.752 3.747 3.756 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE H 1 35 ASP H . . 4.830 4.204 4.025 4.352 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE HA 1 33 ILE MD . . 3.620 3.700 3.675 3.733 0.113 7 0 "[ . 1 . 2]" 1
217 1 33 ILE HA 1 33 ILE HG13 . . 3.280 3.129 2.506 3.531 0.251 10 0 "[ . 1 . 2]" 1
218 1 33 ILE HA 1 33 ILE MG . . 3.190 2.284 2.259 2.301 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE HA 1 35 ASP H . . 4.370 4.393 4.074 4.567 0.197 7 0 "[ . 1 . 2]" 1
220 1 33 ILE HA 1 36 LYS H . . 3.670 3.389 3.266 3.456 . 0 0 "[ . 1 . 2]" 1
221 1 33 ILE HA 1 36 LYS HB3 . . 4.330 4.372 4.316 4.415 0.085 1 0 "[ . 1 . 2]" 1
222 1 33 ILE HA 1 37 ALA H . . 4.230 4.259 4.254 4.272 0.042 1 0 "[ . 1 . 2]" 1
223 1 33 ILE HB 1 33 ILE MD . . 3.360 2.431 2.165 2.605 . 0 0 "[ . 1 . 2]" 1
224 1 33 ILE HB 1 34 THR H . . 3.500 2.471 2.259 2.711 . 0 0 "[ . 1 . 2]" 1
225 1 33 ILE HG13 1 33 ILE MG . . 3.130 3.052 2.878 3.162 0.032 18 0 "[ . 1 . 2]" 1
226 1 33 ILE HG13 1 34 THR H . . 4.840 4.003 3.728 4.322 . 0 0 "[ . 1 . 2]" 1
227 1 33 ILE MG 1 34 THR H . . 4.020 3.629 3.358 3.835 . 0 0 "[ . 1 . 2]" 1
228 1 33 ILE MG 1 34 THR HA . . 3.910 3.820 3.547 3.982 0.072 8 0 "[ . 1 . 2]" 1
229 1 33 ILE MG 1 37 ALA H . . 3.940 3.849 3.766 3.915 . 0 0 "[ . 1 . 2]" 1
230 1 34 THR H 1 34 THR HB . . 3.460 3.014 2.103 3.623 0.163 4 0 "[ . 1 . 2]" 1
231 1 34 THR H 1 34 THR MG . . 3.080 2.563 2.085 3.277 0.197 1 0 "[ . 1 . 2]" 1
232 1 34 THR H 1 35 ASP H . . 2.970 2.812 2.621 2.936 . 0 0 "[ . 1 . 2]" 1
233 1 34 THR H 1 36 LYS H . . 5.080 4.112 4.047 4.182 . 0 0 "[ . 1 . 2]" 1
234 1 34 THR HA 1 34 THR MG . . 2.790 2.572 2.296 2.979 0.189 1 0 "[ . 1 . 2]" 1
235 1 34 THR HA 1 35 ASP H . . 3.540 3.538 3.502 3.561 0.021 4 0 "[ . 1 . 2]" 1
236 1 34 THR HA 1 36 LYS H . . 4.050 4.181 4.174 4.199 0.149 1 0 "[ . 1 . 2]" 1
237 1 34 THR HA 1 37 ALA H . . 3.540 3.442 3.335 3.561 0.021 20 0 "[ . 1 . 2]" 1
238 1 34 THR HA 1 37 ALA MB . . 3.050 2.802 2.529 3.032 . 0 0 "[ . 1 . 2]" 1
239 1 34 THR HA 1 38 ASP H . . 4.840 4.405 4.135 4.732 . 0 0 "[ . 1 . 2]" 1
240 1 34 THR HB 1 35 ASP H . . 3.250 3.410 3.323 3.480 0.230 15 0 "[ . 1 . 2]" 1
241 1 34 THR MG 1 35 ASP H . . 3.610 3.263 2.384 3.864 0.254 19 0 "[ . 1 . 2]" 1
242 1 35 ASP H 1 35 ASP HB3 . . 2.880 3.059 3.042 3.070 0.190 2 0 "[ . 1 . 2]" 1
243 1 35 ASP H 1 36 LYS H . . 2.970 2.632 2.480 2.741 . 0 0 "[ . 1 . 2]" 1
244 1 35 ASP H 1 37 ALA H . . 4.450 4.261 4.187 4.319 . 0 0 "[ . 1 . 2]" 1
245 1 35 ASP HA 1 35 ASP HB3 . . 2.940 2.944 2.928 2.957 0.017 10 0 "[ . 1 . 2]" 1
246 1 35 ASP HA 1 37 ALA H . . 4.540 4.558 4.547 4.565 0.025 10 0 "[ . 1 . 2]" 1
247 1 35 ASP HA 1 38 ASP HB3 . . 3.790 3.517 3.257 3.791 0.001 13 0 "[ . 1 . 2]" 1
248 1 35 ASP HB3 1 36 LYS H . . 3.360 2.935 2.863 3.041 . 0 0 "[ . 1 . 2]" 1
249 1 36 LYS H 1 36 LYS HA . . 2.930 2.853 2.848 2.856 . 0 0 "[ . 1 . 2]" 1
250 1 36 LYS H 1 36 LYS HB3 . . 3.570 3.596 3.591 3.599 0.029 8 0 "[ . 1 . 2]" 1
251 1 36 LYS H 1 36 LYS HD3 . . 4.670 4.517 4.458 4.682 0.012 15 0 "[ . 1 . 2]" 1
252 1 36 LYS H 1 36 LYS HG3 . . 3.140 3.224 3.173 3.303 0.163 15 0 "[ . 1 . 2]" 1
253 1 36 LYS H 1 37 ALA H . . 2.770 2.565 2.549 2.582 . 0 0 "[ . 1 . 2]" 1
254 1 36 LYS HA 1 36 LYS HD3 . . 3.610 3.199 3.108 3.656 0.046 15 0 "[ . 1 . 2]" 1
255 1 36 LYS HA 1 36 LYS HE3 . . 5.120 5.018 4.481 5.139 0.019 16 0 "[ . 1 . 2]" 1
256 1 36 LYS HA 1 36 LYS HG3 . . 3.700 3.764 3.753 3.771 0.071 10 0 "[ . 1 . 2]" 1
257 1 36 LYS HA 1 38 ASP H . . 4.090 4.000 3.872 4.085 . 0 0 "[ . 1 . 2]" 1
258 1 36 LYS HA 1 39 LYS H . . 3.950 3.395 3.234 3.517 . 0 0 "[ . 1 . 2]" 1
259 1 36 LYS HA 1 39 LYS HB3 . . 4.250 4.175 3.976 4.253 0.003 3 0 "[ . 1 . 2]" 1
260 1 36 LYS HB3 1 37 ALA H . . 3.600 3.604 3.573 3.619 0.019 4 0 "[ . 1 . 2]" 1
261 1 36 LYS HE3 1 36 LYS HG3 . . 3.560 2.140 2.042 2.517 . 0 0 "[ . 1 . 2]" 1
262 1 37 ALA H 1 37 ALA MB . . 2.760 2.199 2.107 2.240 . 0 0 "[ . 1 . 2]" 1
263 1 37 ALA H 1 38 ASP H . . 3.110 2.598 2.517 2.696 . 0 0 "[ . 1 . 2]" 1
264 1 37 ALA H 1 39 LYS H . . 4.410 4.277 4.215 4.348 . 0 0 "[ . 1 . 2]" 1
265 1 37 ALA HA 1 39 LYS H . . 4.680 4.549 4.504 4.644 . 0 0 "[ . 1 . 2]" 1
266 1 37 ALA HA 1 40 VAL H . . 3.860 3.826 3.780 3.870 0.010 3 0 "[ . 1 . 2]" 1
267 1 37 ALA HA 1 40 VAL HB . . 4.700 4.151 4.131 4.204 . 0 0 "[ . 1 . 2]" 1
268 1 37 ALA HA 1 40 VAL MG1 . . 4.380 1.935 1.930 1.948 . 0 0 "[ . 1 . 2]" 1
269 1 37 ALA HA 1 40 VAL QG . . 3.690 1.933 1.928 1.945 . 0 0 "[ . 1 . 2]" 1
270 1 37 ALA HA 1 40 VAL MG2 . . 4.380 4.357 4.347 4.363 . 0 0 "[ . 1 . 2]" 1
271 1 37 ALA HA 1 41 ALA H . . 4.020 4.027 4.024 4.033 0.013 3 0 "[ . 1 . 2]" 1
272 1 37 ALA MB 1 38 ASP H . . 2.910 2.871 2.826 2.910 0.000 9 0 "[ . 1 . 2]" 1
273 1 38 ASP H 1 38 ASP HB3 . . 3.050 3.030 2.998 3.048 . 0 0 "[ . 1 . 2]" 1
274 1 38 ASP H 1 39 LYS H . . 2.960 2.451 2.436 2.504 . 0 0 "[ . 1 . 2]" 1
275 1 38 ASP HA 1 38 ASP HB3 . . 2.990 2.936 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
276 1 38 ASP HA 1 39 LYS H . . 3.530 3.536 3.534 3.546 0.016 14 0 "[ . 1 . 2]" 1
277 1 38 ASP HA 1 41 ALA H . . 3.940 3.663 3.495 3.753 . 0 0 "[ . 1 . 2]" 1
278 1 38 ASP HA 1 41 ALA MB . . 3.230 2.741 2.649 2.929 . 0 0 "[ . 1 . 2]" 1
279 1 38 ASP HB3 1 39 LYS H . . 3.420 2.737 2.671 2.761 . 0 0 "[ . 1 . 2]" 1
280 1 39 LYS H 1 39 LYS HA . . 2.840 2.833 2.814 2.837 . 0 0 "[ . 1 . 2]" 1
281 1 39 LYS H 1 39 LYS HB3 . . 3.300 3.424 3.418 3.426 0.126 18 0 "[ . 1 . 2]" 1
282 1 39 LYS H 1 39 LYS HG3 . . 3.490 3.514 3.512 3.517 0.027 3 0 "[ . 1 . 2]" 1
283 1 39 LYS HA 1 43 LYS H . . 3.620 3.719 3.697 3.796 0.176 14 0 "[ . 1 . 2]" 1
284 1 39 LYS HB3 1 40 VAL H . . 3.460 2.980 2.836 3.085 . 0 0 "[ . 1 . 2]" 1
285 1 40 VAL H 1 40 VAL HB . . 2.940 2.581 2.543 2.645 . 0 0 "[ . 1 . 2]" 1
286 1 40 VAL H 1 40 VAL MG1 . . 3.610 2.045 1.971 2.116 . 0 0 "[ . 1 . 2]" 1
287 1 40 VAL H 1 40 VAL QG . . 3.060 2.036 1.965 2.105 . 0 0 "[ . 1 . 2]" 1
288 1 40 VAL H 1 40 VAL MG2 . . 3.610 3.764 3.763 3.768 0.158 14 0 "[ . 1 . 2]" 1
289 1 40 VAL H 1 41 ALA H . . 2.830 2.689 2.569 2.774 . 0 0 "[ . 1 . 2]" 1
290 1 40 VAL HA 1 40 VAL MG1 . . 3.030 3.189 3.187 3.190 0.160 3 0 "[ . 1 . 2]" 1
291 1 40 VAL HA 1 40 VAL QG . . 2.570 2.323 2.320 2.326 . 0 0 "[ . 1 . 2]" 1
292 1 40 VAL HA 1 40 VAL MG2 . . 3.030 2.387 2.383 2.390 . 0 0 "[ . 1 . 2]" 1
293 1 40 VAL HA 1 41 ALA H . . 3.480 3.522 3.517 3.523 0.043 4 0 "[ . 1 . 2]" 1
294 1 40 VAL HA 1 43 LYS HB3 . . 4.100 4.154 4.134 4.166 0.066 6 0 "[ . 1 . 2]" 1
295 1 40 VAL HA 1 43 LYS HG3 . . 4.490 4.092 3.987 4.215 . 0 0 "[ . 1 . 2]" 1
296 1 40 VAL HB 1 41 ALA H . . 3.950 3.971 3.968 3.993 0.043 14 0 "[ . 1 . 2]" 1
297 1 40 VAL QG 1 41 ALA HA . . 3.230 3.125 3.122 3.129 . 0 0 "[ . 1 . 2]" 1
298 1 40 VAL MG1 1 41 ALA H . . 3.530 1.907 1.905 1.909 . 0 0 "[ . 1 . 2]" 1
299 1 40 VAL MG1 1 41 ALA HA . . 3.710 3.503 3.498 3.521 . 0 0 "[ . 1 . 2]" 1
300 1 40 VAL MG2 1 41 ALA H . . 3.530 3.556 3.551 3.564 0.034 14 0 "[ . 1 . 2]" 1
301 1 40 VAL MG2 1 41 ALA HA . . 3.710 3.512 3.505 3.521 . 0 0 "[ . 1 . 2]" 1
302 1 41 ALA H 1 41 ALA HA . . 2.940 2.868 2.865 2.870 . 0 0 "[ . 1 . 2]" 1
303 1 41 ALA H 1 41 ALA MB . . 2.560 2.177 2.134 2.261 . 0 0 "[ . 1 . 2]" 1
304 1 41 ALA H 1 42 GLY H . . 3.470 2.538 2.465 2.642 . 0 0 "[ . 1 . 2]" 1
305 1 41 ALA HA 1 42 GLY H . . 3.550 3.551 3.496 3.573 0.023 3 0 "[ . 1 . 2]" 1
306 1 41 ALA HA 1 44 VAL HB . . 4.560 4.281 3.898 4.548 . 0 0 "[ . 1 . 2]" 1
307 1 41 ALA HA 1 44 VAL MG1 . . 4.620 3.151 1.961 4.658 0.038 12 0 "[ . 1 . 2]" 1
308 1 41 ALA HA 1 44 VAL QG . . 3.990 2.208 1.959 2.357 . 0 0 "[ . 1 . 2]" 1
309 1 41 ALA HA 1 44 VAL MG2 . . 4.620 3.727 2.189 4.699 0.079 10 0 "[ . 1 . 2]" 1
310 1 41 ALA MB 1 42 GLY H . . 2.700 2.537 2.229 2.757 0.057 14 0 "[ . 1 . 2]" 1
311 1 41 ALA MB 1 44 VAL H . . 4.620 4.619 4.519 4.858 0.238 14 0 "[ . 1 . 2]" 1
312 1 42 GLY H 1 43 LYS H . . 3.070 2.610 2.325 2.758 . 0 0 "[ . 1 . 2]" 1
313 1 42 GLY H 1 44 VAL H . . 4.850 4.060 3.873 4.161 . 0 0 "[ . 1 . 2]" 1
314 1 42 GLY QA 1 43 LYS H . . 2.960 2.772 2.761 2.805 . 0 0 "[ . 1 . 2]" 1
315 1 42 GLY HA2 1 43 LYS H . . 3.430 3.512 3.492 3.519 0.089 9 0 "[ . 1 . 2]" 1
316 1 42 GLY HA3 1 43 LYS H . . 3.430 2.903 2.886 2.954 . 0 0 "[ . 1 . 2]" 1
317 1 43 LYS H 1 43 LYS HB3 . . 4.050 3.456 3.431 3.530 . 0 0 "[ . 1 . 2]" 1
318 1 43 LYS H 1 43 LYS HD3 . . 4.840 4.643 4.414 4.787 . 0 0 "[ . 1 . 2]" 1
319 1 43 LYS H 1 44 VAL H . . 2.750 2.599 2.449 2.650 . 0 0 "[ . 1 . 2]" 1
320 1 43 LYS H 1 44 VAL QG . . 3.610 3.642 3.621 3.665 0.055 14 0 "[ . 1 . 2]" 1
321 1 43 LYS HA 1 43 LYS HB3 . . 3.020 2.712 2.619 2.742 . 0 0 "[ . 1 . 2]" 1
322 1 43 LYS HA 1 43 LYS HD3 . . 3.550 2.645 2.252 2.851 . 0 0 "[ . 1 . 2]" 1
323 1 43 LYS HA 1 43 LYS HG3 . . 3.560 3.612 3.598 3.659 0.099 14 0 "[ . 1 . 2]" 1
324 1 43 LYS HA 1 44 VAL H . . 3.470 3.445 3.427 3.488 0.018 14 0 "[ . 1 . 2]" 1
325 1 43 LYS HB3 1 44 VAL H . . 3.590 3.600 3.579 3.621 0.031 14 0 "[ . 1 . 2]" 1
326 1 44 VAL H 1 44 VAL HB . . 2.970 2.809 2.614 2.952 . 0 0 "[ . 1 . 2]" 1
327 1 44 VAL H 1 44 VAL MG1 . . 3.870 2.659 1.898 3.774 . 0 0 "[ . 1 . 2]" 1
328 1 44 VAL H 1 44 VAL QG . . 2.890 1.927 1.893 2.104 . 0 0 "[ . 1 . 2]" 1
329 1 44 VAL H 1 44 VAL MG2 . . 3.870 3.070 1.915 3.819 . 0 0 "[ . 1 . 2]" 1
330 1 44 VAL H 1 45 GLN H . . 4.490 4.537 4.476 4.623 0.133 1 0 "[ . 1 . 2]" 1
331 1 44 VAL HA 1 44 VAL MG1 . . 3.060 2.815 2.110 3.203 0.143 8 0 "[ . 1 . 2]" 1
332 1 44 VAL HA 1 44 VAL QG . . 2.660 2.186 2.003 2.275 . 0 0 "[ . 1 . 2]" 1
333 1 44 VAL HA 1 44 VAL MG2 . . 3.060 2.370 2.284 2.494 . 0 0 "[ . 1 . 2]" 1
334 1 44 VAL HA 1 45 GLN H . . 2.860 2.203 2.153 2.368 . 0 0 "[ . 1 . 2]" 1
335 1 44 VAL HB 1 45 GLN H . . 4.120 3.999 3.404 4.143 0.023 14 0 "[ . 1 . 2]" 1
336 1 44 VAL QG 1 45 GLN H . . 3.450 2.160 1.878 2.443 . 0 0 "[ . 1 . 2]" 1
337 1 44 VAL MG1 1 45 GLN H . . 4.020 3.231 1.882 4.005 . 0 0 "[ . 1 . 2]" 1
338 1 44 VAL MG2 1 45 GLN H . . 4.020 2.892 1.922 4.070 0.050 9 0 "[ . 1 . 2]" 1
339 1 45 GLN H 1 45 GLN HB3 . . 3.510 3.319 2.542 3.890 0.380 18 0 "[ . 1 . 2]" 1
340 1 45 GLN H 1 45 GLN HG3 . . 4.860 4.093 2.348 4.766 . 0 0 "[ . 1 . 2]" 1
341 1 45 GLN HA 1 45 GLN HG3 . . 4.000 2.809 2.089 3.762 . 0 0 "[ . 1 . 2]" 1
342 1 45 GLN HA 1 46 PRO HD3 . . 2.920 2.862 2.453 2.965 0.045 10 0 "[ . 1 . 2]" 1
343 1 46 PRO HA 1 47 GLU H . . 3.170 2.797 2.714 3.564 0.394 20 0 "[ . 1 . 2]" 1
344 1 46 PRO HB3 1 47 GLU H . . 3.880 3.204 3.152 3.966 0.086 20 0 "[ . 1 . 2]" 1
345 1 47 GLU H 1 47 GLU HB3 . . 4.120 3.487 2.632 4.054 . 0 0 "[ . 1 . 2]" 1
346 1 47 GLU H 1 48 ASP H . . 3.810 2.706 1.891 3.838 0.028 4 0 "[ . 1 . 2]" 1
347 1 47 GLU HA 1 47 GLU HG3 . . 4.060 2.994 2.109 3.660 . 0 0 "[ . 1 . 2]" 1
348 1 47 GLU HA 1 48 ASP H . . 3.420 3.294 2.139 3.554 0.134 14 0 "[ . 1 . 2]" 1
349 1 47 GLU HB3 1 48 ASP H . . 4.110 3.499 2.248 4.146 0.036 4 0 "[ . 1 . 2]" 1
350 1 48 ASP H 1 48 ASP HB3 . . 4.110 3.468 2.657 3.991 . 0 0 "[ . 1 . 2]" 1
351 1 48 ASP HA 1 49 ASN H . . 3.130 2.574 2.145 2.970 . 0 0 "[ . 1 . 2]" 1
352 1 48 ASP HB3 1 49 ASN H . . 5.450 3.388 1.954 4.650 . 0 0 "[ . 1 . 2]" 1
353 1 50 LYS H 1 50 LYS HB3 . . 3.760 3.319 2.829 3.774 0.014 16 0 "[ . 1 . 2]" 1
354 1 50 LYS H 1 51 GLY H . . 4.260 3.754 1.897 4.349 0.089 19 0 "[ . 1 . 2]" 1
355 1 50 LYS HA 1 51 GLY H . . 3.190 2.549 2.144 3.276 0.086 20 0 "[ . 1 . 2]" 1
356 1 50 LYS HB3 1 51 GLY H . . 4.390 3.682 2.215 4.391 0.001 7 0 "[ . 1 . 2]" 1
357 1 51 GLY H 1 52 VAL H . . 3.760 2.967 1.899 3.772 0.012 4 0 "[ . 1 . 2]" 1
358 1 51 GLY QA 1 52 VAL H . . 2.920 2.478 2.111 2.905 . 0 0 "[ . 1 . 2]" 1
359 1 51 GLY QA 1 53 PHE H . . 3.960 3.296 3.094 3.821 . 0 0 "[ . 1 . 2]" 1
360 1 51 GLY HA2 1 52 VAL H . . 3.370 2.640 2.140 3.386 0.016 17 0 "[ . 1 . 2]" 1
361 1 51 GLY HA3 1 52 VAL H . . 3.370 3.327 3.148 3.393 0.023 1 0 "[ . 1 . 2]" 1
362 1 52 VAL H 1 52 VAL HB . . 2.990 2.596 2.558 2.629 . 0 0 "[ . 1 . 2]" 1
363 1 52 VAL H 1 52 VAL MG1 . . 4.690 3.778 3.762 3.803 . 0 0 "[ . 1 . 2]" 1
364 1 52 VAL H 1 52 VAL QG . . 3.780 2.007 1.915 2.188 . 0 0 "[ . 1 . 2]" 1
365 1 52 VAL H 1 52 VAL MG2 . . 4.690 2.015 1.920 2.201 . 0 0 "[ . 1 . 2]" 1
366 1 52 VAL H 1 53 PHE H . . 3.660 2.494 2.283 2.702 . 0 0 "[ . 1 . 2]" 1
367 1 52 VAL HA 1 52 VAL MG1 . . 3.370 2.358 2.338 2.369 . 0 0 "[ . 1 . 2]" 1
368 1 52 VAL HA 1 52 VAL QG . . 2.860 2.139 2.127 2.142 . 0 0 "[ . 1 . 2]" 1
369 1 52 VAL HA 1 52 VAL MG2 . . 3.370 2.450 2.408 2.474 . 0 0 "[ . 1 . 2]" 1
370 1 52 VAL HA 1 53 PHE H . . 3.270 3.456 3.453 3.460 0.190 18 0 "[ . 1 . 2]" 1
371 1 52 VAL HB 1 53 PHE H . . 3.430 3.006 2.993 3.018 . 0 0 "[ . 1 . 2]" 1
372 1 52 VAL QG 1 53 PHE H . . 3.320 3.421 3.414 3.426 0.106 3 0 "[ . 1 . 2]" 1
373 1 52 VAL QG 1 53 PHE QD . . 4.070 3.720 3.008 4.070 0.000 18 0 "[ . 1 . 2]" 1
374 1 52 VAL MG1 1 53 PHE H . . 3.870 3.815 3.784 3.876 0.006 16 0 "[ . 1 . 2]" 1
375 1 52 VAL MG1 1 53 PHE QD . . 5.140 3.903 3.032 4.374 . 0 0 "[ . 1 . 2]" 1
376 1 52 VAL MG2 1 53 PHE H . . 3.870 3.867 3.814 3.886 0.016 4 0 "[ . 1 . 2]" 1
377 1 52 VAL MG2 1 53 PHE QD . . 5.140 4.847 4.442 5.139 . 0 0 "[ . 1 . 2]" 1
378 1 53 PHE H 1 53 PHE HB3 . . 3.440 3.365 3.213 3.442 0.002 4 0 "[ . 1 . 2]" 1
379 1 53 PHE HA 1 53 PHE QD . . 3.510 2.704 2.313 3.000 . 0 0 "[ . 1 . 2]" 1
380 1 53 PHE HA 1 56 VAL HB . . 4.310 3.877 2.233 4.311 0.001 1 0 "[ . 1 . 2]" 1
381 1 53 PHE HB3 1 54 GLN H . . 3.930 3.060 2.596 3.432 . 0 0 "[ . 1 . 2]" 1
382 1 54 GLN H 1 54 GLN HB3 . . 3.330 3.388 3.387 3.390 0.060 4 0 "[ . 1 . 2]" 1
383 1 54 GLN H 1 54 GLN HG3 . . 3.620 3.579 3.535 3.625 0.005 1 0 "[ . 1 . 2]" 1
384 1 54 GLN H 1 55 GLY H . . 3.970 2.690 2.607 2.747 . 0 0 "[ . 1 . 2]" 1
385 1 54 GLN HA 1 56 VAL H . . 5.500 4.088 3.640 5.204 . 0 0 "[ . 1 . 2]" 1
386 1 54 GLN HA 1 57 HIS HB3 . . 4.460 4.312 2.999 4.462 0.002 20 0 "[ . 1 . 2]" 1
387 1 54 GLN HB3 1 54 GLN HG3 . . 2.950 2.810 2.781 2.837 . 0 0 "[ . 1 . 2]" 1
388 1 54 GLN HB3 1 55 GLY H . . 3.830 3.348 3.064 3.445 . 0 0 "[ . 1 . 2]" 1
389 1 55 GLY H 1 56 VAL H . . 3.790 2.626 2.137 2.798 . 0 0 "[ . 1 . 2]" 1
390 1 55 GLY QA 1 56 VAL H . . 3.080 2.784 2.534 2.868 . 0 0 "[ . 1 . 2]" 1
391 1 55 GLY HA2 1 58 ASP HB3 . . 4.750 3.274 2.012 4.210 . 0 0 "[ . 1 . 2]" 1
392 1 55 GLY HA3 1 58 ASP HB3 . . 4.750 4.465 3.382 4.749 . 0 0 "[ . 1 . 2]" 1
393 1 56 VAL H 1 56 VAL HB . . 3.070 2.552 2.444 2.651 . 0 0 "[ . 1 . 2]" 1
394 1 56 VAL H 1 56 VAL MG1 . . 3.950 3.169 2.114 3.772 . 0 0 "[ . 1 . 2]" 1
395 1 56 VAL H 1 56 VAL QG . . 2.960 2.161 1.920 2.328 . 0 0 "[ . 1 . 2]" 1
396 1 56 VAL H 1 56 VAL MG2 . . 3.950 2.767 1.926 3.765 . 0 0 "[ . 1 . 2]" 1
397 1 56 VAL H 1 57 HIS H . . 4.020 2.718 2.621 2.855 . 0 0 "[ . 1 . 2]" 1
398 1 56 VAL HA 1 56 VAL MG1 . . 3.080 2.664 2.254 3.188 0.108 10 0 "[ . 1 . 2]" 1
399 1 56 VAL HA 1 56 VAL QG . . 2.580 2.134 2.040 2.294 . 0 0 "[ . 1 . 2]" 1
400 1 56 VAL HA 1 56 VAL MG2 . . 3.080 2.320 2.181 2.433 . 0 0 "[ . 1 . 2]" 1
401 1 56 VAL HB 1 57 HIS H . . 4.560 3.276 2.298 4.137 . 0 0 "[ . 1 . 2]" 1
402 1 56 VAL QG 1 57 HIS H . . 4.050 2.798 1.956 3.450 . 0 0 "[ . 1 . 2]" 1
403 1 56 VAL MG1 1 57 HIS H . . 5.500 2.973 1.964 3.835 . 0 0 "[ . 1 . 2]" 1
404 1 56 VAL MG2 1 57 HIS H . . 5.500 3.852 3.650 3.976 . 0 0 "[ . 1 . 2]" 1
405 1 58 ASP HA 1 59 SER H . . 3.450 3.457 3.455 3.459 0.009 1 0 "[ . 1 . 2]" 1
406 1 60 ALA H 1 61 GLU H . . 5.330 2.640 2.372 2.771 . 0 0 "[ . 1 . 2]" 1
407 1 60 ALA MB 1 61 GLU H . . 3.960 2.895 2.748 3.484 . 0 0 "[ . 1 . 2]" 1
408 1 61 GLU H 1 61 GLU HB3 . . 3.990 3.080 2.380 3.568 . 0 0 "[ . 1 . 2]" 1
409 1 61 GLU H 1 62 LYS H . . 4.570 2.780 2.065 3.141 . 0 0 "[ . 1 . 2]" 1
410 1 61 GLU HB3 1 62 LYS H . . 4.390 2.714 1.953 3.931 . 0 0 "[ . 1 . 2]" 1
411 1 62 LYS HA 1 63 GLY H . . 3.560 2.482 2.145 3.561 0.001 20 0 "[ . 1 . 2]" 1
412 1 62 LYS HA 1 64 LYS H . . 5.400 4.943 3.512 5.401 0.001 1 0 "[ . 1 . 2]" 1
413 1 67 ALA MB 1 68 GLU H . . 4.710 2.586 1.958 3.616 . 0 0 "[ . 1 . 2]" 1
414 1 71 GLY H 1 72 GLU H . . 5.500 3.828 2.340 4.645 . 0 0 "[ . 1 . 2]" 1
415 1 72 GLU H 1 72 GLU HB3 . . 4.130 3.335 2.431 4.090 . 0 0 "[ . 1 . 2]" 1
416 1 72 GLU H 1 73 SER H . . 5.490 4.244 2.651 4.625 . 0 0 "[ . 1 . 2]" 1
417 1 72 GLU HA 1 73 SER H . . 3.190 2.458 2.139 2.990 . 0 0 "[ . 1 . 2]" 1
418 1 72 GLU HB3 1 73 SER H . . 5.160 3.292 1.968 4.648 . 0 0 "[ . 1 . 2]" 1
419 1 73 SER H 1 74 LEU H . . 5.500 3.884 3.447 4.277 . 0 0 "[ . 1 . 2]" 1
420 1 73 SER HA 1 74 LEU H . . 3.110 2.193 2.141 2.208 . 0 0 "[ . 1 . 2]" 1
421 1 73 SER HA 1 74 LEU HB3 . . 4.680 4.487 4.465 4.495 . 0 0 "[ . 1 . 2]" 1
422 1 73 SER HA 1 75 ALA MB . . 4.170 4.194 4.183 4.362 0.192 16 0 "[ . 1 . 2]" 1
423 1 73 SER HB3 1 74 LEU H . . 4.310 4.158 3.942 4.382 0.072 16 0 "[ . 1 . 2]" 1
424 1 73 SER HB3 1 75 ALA H . . 4.510 3.954 3.418 4.325 . 0 0 "[ . 1 . 2]" 1
425 1 74 LEU H 1 74 LEU HB3 . . 3.280 2.474 2.373 2.496 . 0 0 "[ . 1 . 2]" 1
426 1 74 LEU H 1 74 LEU MD1 . . 4.590 4.060 4.009 4.125 . 0 0 "[ . 1 . 2]" 1
427 1 74 LEU H 1 74 LEU QD . . 4.010 3.678 3.649 3.705 . 0 0 "[ . 1 . 2]" 1
428 1 74 LEU H 1 74 LEU MD2 . . 4.590 4.206 4.178 4.215 . 0 0 "[ . 1 . 2]" 1
429 1 74 LEU H 1 74 LEU HG . . 4.670 4.467 4.394 4.488 . 0 0 "[ . 1 . 2]" 1
430 1 74 LEU H 1 75 ALA H . . 3.310 2.720 2.567 2.745 . 0 0 "[ . 1 . 2]" 1
431 1 74 LEU H 1 75 ALA MB . . 4.980 4.282 4.142 4.307 . 0 0 "[ . 1 . 2]" 1
432 1 74 LEU H 1 76 ASP H . . 4.910 4.418 4.390 4.562 . 0 0 "[ . 1 . 2]" 1
433 1 74 LEU HA 1 74 LEU MD1 . . 3.890 2.182 1.985 2.274 . 0 0 "[ . 1 . 2]" 1
434 1 74 LEU HA 1 74 LEU MD2 . . 3.890 3.886 3.842 3.893 0.003 13 0 "[ . 1 . 2]" 1
435 1 74 LEU HA 1 74 LEU HG . . 4.040 3.238 3.222 3.311 . 0 0 "[ . 1 . 2]" 1
436 1 74 LEU HA 1 75 ALA H . . 3.440 3.471 3.457 3.478 0.038 4 0 "[ . 1 . 2]" 1
437 1 74 LEU HA 1 76 ASP H . . 4.130 3.787 3.707 4.137 0.007 16 0 "[ . 1 . 2]" 1
438 1 74 LEU HA 1 77 GLN H . . 3.540 3.045 3.003 3.104 . 0 0 "[ . 1 . 2]" 1
439 1 74 LEU HA 1 78 ALA H . . 4.370 4.261 4.097 4.362 . 0 0 "[ . 1 . 2]" 1
440 1 74 LEU HB3 1 74 LEU MD1 . . 3.370 3.187 3.179 3.195 . 0 0 "[ . 1 . 2]" 1
441 1 74 LEU HB3 1 74 LEU MD2 . . 3.370 2.364 2.258 2.384 . 0 0 "[ . 1 . 2]" 1
442 1 74 LEU QD 1 75 ALA H . . 4.630 4.085 4.055 4.097 . 0 0 "[ . 1 . 2]" 1
443 1 74 LEU MD1 1 75 ALA H . . 5.500 4.527 4.424 4.559 . 0 0 "[ . 1 . 2]" 1
444 1 74 LEU MD1 1 77 GLN HB3 . . 6.070 2.410 2.066 2.645 . 0 0 "[ . 1 . 2]" 1
445 1 74 LEU MD2 1 75 ALA H . . 5.500 4.651 4.637 4.711 . 0 0 "[ . 1 . 2]" 1
446 1 74 LEU MD2 1 77 GLN HB3 . . 6.070 5.012 4.670 5.175 . 0 0 "[ . 1 . 2]" 1
447 1 74 LEU HG 1 75 ALA H . . 3.980 3.994 3.960 3.998 0.018 4 0 "[ . 1 . 2]" 1
448 1 75 ALA H 1 75 ALA MB . . 2.750 2.059 2.055 2.063 . 0 0 "[ . 1 . 2]" 1
449 1 75 ALA H 1 76 ASP H . . 3.130 2.770 2.759 2.844 . 0 0 "[ . 1 . 2]" 1
450 1 75 ALA HA 1 76 ASP H . . 3.480 3.498 3.487 3.547 0.067 16 0 "[ . 1 . 2]" 1
451 1 75 ALA HA 1 78 ALA H . . 3.820 3.486 3.430 3.550 . 0 0 "[ . 1 . 2]" 1
452 1 75 ALA HA 1 78 ALA MB . . 2.570 2.580 2.536 2.644 0.074 16 0 "[ . 1 . 2]" 1
453 1 75 ALA HA 1 79 ARG H . . 4.640 4.214 4.008 4.602 . 0 0 "[ . 1 . 2]" 1
454 1 75 ALA MB 1 76 ASP H . . 2.980 2.846 2.637 2.886 . 0 0 "[ . 1 . 2]" 1
455 1 76 ASP H 1 76 ASP HB3 . . 3.140 3.000 2.856 3.138 . 0 0 "[ . 1 . 2]" 1
456 1 76 ASP H 1 77 GLN H . . 3.150 2.468 2.436 2.506 . 0 0 "[ . 1 . 2]" 1
457 1 76 ASP H 1 78 ALA H . . 4.980 3.878 3.781 3.991 . 0 0 "[ . 1 . 2]" 1
458 1 76 ASP HA 1 79 ARG H . . 4.350 3.682 3.537 3.745 . 0 0 "[ . 1 . 2]" 1
459 1 76 ASP HA 1 80 ASP H . . 4.730 4.566 3.858 4.735 0.005 4 0 "[ . 1 . 2]" 1
460 1 76 ASP HB3 1 77 GLN H . . 3.710 2.899 2.805 2.989 . 0 0 "[ . 1 . 2]" 1
461 1 77 GLN H 1 78 ALA H . . 3.200 2.450 2.443 2.464 . 0 0 "[ . 1 . 2]" 1
462 1 77 GLN H 1 78 ALA MB . . 4.030 4.039 4.026 4.078 0.048 6 0 "[ . 1 . 2]" 1
463 1 77 GLN HA 1 80 ASP H . . 3.840 3.592 3.460 3.672 . 0 0 "[ . 1 . 2]" 1
464 1 77 GLN HA 1 80 ASP HB3 . . 3.890 3.564 3.268 3.880 . 0 0 "[ . 1 . 2]" 1
465 1 77 GLN HA 1 81 TYR H . . 4.640 4.381 3.886 4.588 . 0 0 "[ . 1 . 2]" 1
466 1 78 ALA H 1 78 ALA MB . . 2.840 2.051 2.038 2.085 . 0 0 "[ . 1 . 2]" 1
467 1 78 ALA H 1 79 ARG H . . 3.380 2.608 2.513 2.673 . 0 0 "[ . 1 . 2]" 1
468 1 78 ALA HA 1 81 TYR H . . 4.390 3.430 3.320 3.797 . 0 0 "[ . 1 . 2]" 1
469 1 78 ALA HA 1 81 TYR HB3 . . 3.880 3.251 3.014 3.886 0.006 16 0 "[ . 1 . 2]" 1
470 1 78 ALA HA 1 81 TYR QD . . 4.240 4.236 4.184 4.248 0.008 8 0 "[ . 1 . 2]" 1
471 1 78 ALA HA 1 82 MET H . . 4.830 3.943 3.841 4.255 . 0 0 "[ . 1 . 2]" 1
472 1 78 ALA MB 1 79 ARG H . . 2.770 2.608 2.550 2.778 0.008 9 0 "[ . 1 . 2]" 1
473 1 79 ARG H 1 79 ARG HB3 . . 3.490 3.245 2.304 3.489 . 0 0 "[ . 1 . 2]" 1
474 1 79 ARG H 1 79 ARG HG3 . . 4.520 3.835 3.324 4.395 . 0 0 "[ . 1 . 2]" 1
475 1 79 ARG H 1 80 ASP H . . 3.470 2.655 2.574 2.699 . 0 0 "[ . 1 . 2]" 1
476 1 79 ARG HA 1 79 ARG HD3 . . 5.030 3.107 2.396 3.937 . 0 0 "[ . 1 . 2]" 1
477 1 79 ARG HA 1 79 ARG HG3 . . 3.960 3.360 2.477 3.629 . 0 0 "[ . 1 . 2]" 1
478 1 79 ARG HA 1 80 ASP H . . 3.300 3.484 3.465 3.559 0.259 9 0 "[ . 1 . 2]" 1
479 1 79 ARG HA 1 82 MET H . . 3.940 3.555 3.337 3.655 . 0 0 "[ . 1 . 2]" 1
480 1 79 ARG HA 1 82 MET HB3 . . 3.950 3.948 3.829 3.961 0.011 8 0 "[ . 1 . 2]" 1
481 1 79 ARG HA 1 82 MET HG3 . . 4.830 3.962 3.617 4.060 . 0 0 "[ . 1 . 2]" 1
482 1 79 ARG HA 1 83 GLY H . . 3.570 3.563 3.501 3.572 0.002 8 0 "[ . 1 . 2]" 1
483 1 79 ARG HB3 1 80 ASP H . . 3.860 3.338 2.513 3.579 . 0 0 "[ . 1 . 2]" 1
484 1 80 ASP H 1 80 ASP HB3 . . 3.260 3.042 2.873 3.194 . 0 0 "[ . 1 . 2]" 1
485 1 80 ASP H 1 81 TYR H . . 3.310 2.546 2.469 2.740 . 0 0 "[ . 1 . 2]" 1
486 1 80 ASP H 1 82 MET H . . 5.200 3.965 3.829 4.255 . 0 0 "[ . 1 . 2]" 1
487 1 80 ASP HA 1 83 GLY H . . 3.990 3.975 3.905 3.998 0.008 8 0 "[ . 1 . 2]" 1
488 1 80 ASP HA 1 84 ALA H . . 5.500 4.257 4.032 4.360 . 0 0 "[ . 1 . 2]" 1
489 1 80 ASP HB3 1 81 TYR H . . 3.560 2.751 2.597 2.957 . 0 0 "[ . 1 . 2]" 1
490 1 81 TYR H 1 81 TYR HB3 . . 3.220 2.708 2.510 3.216 . 0 0 "[ . 1 . 2]" 1
491 1 81 TYR H 1 82 MET H . . 3.060 2.522 2.411 2.610 . 0 0 "[ . 1 . 2]" 1
492 1 81 TYR HA 1 81 TYR QD . . 3.820 2.114 1.998 2.305 . 0 0 "[ . 1 . 2]" 1
493 1 81 TYR HA 1 84 ALA H . . 4.250 3.662 3.603 3.822 . 0 0 "[ . 1 . 2]" 1
494 1 81 TYR HA 1 84 ALA MB . . 3.270 2.660 2.515 2.912 . 0 0 "[ . 1 . 2]" 1
495 1 81 TYR HA 1 85 ALA H . . 4.990 4.477 3.818 4.682 . 0 0 "[ . 1 . 2]" 1
496 1 81 TYR HB3 1 82 MET H . . 3.860 2.717 2.524 3.137 . 0 0 "[ . 1 . 2]" 1
497 1 81 TYR QD 1 84 ALA MB . . 4.520 3.288 3.094 3.648 . 0 0 "[ . 1 . 2]" 1
498 1 82 MET H 1 82 MET HB3 . . 3.490 3.483 3.472 3.491 0.001 14 0 "[ . 1 . 2]" 1
499 1 82 MET H 1 82 MET HG3 . . 3.780 3.729 3.571 3.782 0.002 16 0 "[ . 1 . 2]" 1
500 1 82 MET H 1 83 GLY H . . 3.580 2.772 2.619 2.822 . 0 0 "[ . 1 . 2]" 1
501 1 82 MET H 1 84 ALA H . . 4.960 3.931 3.777 3.998 . 0 0 "[ . 1 . 2]" 1
502 1 82 MET HA 1 82 MET HG3 . . 3.760 3.606 3.570 3.620 . 0 0 "[ . 1 . 2]" 1
503 1 82 MET HA 1 85 ALA H . . 4.160 3.536 3.348 3.838 . 0 0 "[ . 1 . 2]" 1
504 1 82 MET HA 1 85 ALA MB . . 3.210 2.923 2.491 3.210 . 0 0 "[ . 1 . 2]" 1
505 1 82 MET HA 1 86 LYS H . . 5.010 4.633 3.782 5.006 . 0 0 "[ . 1 . 2]" 1
506 1 82 MET HB3 1 83 GLY H . . 3.840 2.942 2.921 3.007 . 0 0 "[ . 1 . 2]" 1
507 1 82 MET HG3 1 83 GLY H . . 4.870 4.793 4.762 4.809 . 0 0 "[ . 1 . 2]" 1
508 1 83 GLY H 1 83 GLY HA2 . . 2.930 2.785 2.781 2.808 . 0 0 "[ . 1 . 2]" 1
509 1 83 GLY H 1 83 GLY HA3 . . 2.930 2.295 2.293 2.296 . 0 0 "[ . 1 . 2]" 1
510 1 83 GLY H 1 84 ALA H . . 3.190 2.750 2.706 2.768 . 0 0 "[ . 1 . 2]" 1
511 1 83 GLY QA 1 86 LYS H . . 3.860 3.401 3.285 3.630 . 0 0 "[ . 1 . 2]" 1
512 1 83 GLY QA 1 87 SER H . . 4.270 4.216 3.901 4.275 0.005 1 0 "[ . 1 . 2]" 1
513 1 83 GLY HA2 1 86 LYS H . . 4.730 3.491 3.372 3.735 . 0 0 "[ . 1 . 2]" 1
514 1 83 GLY HA3 1 86 LYS H . . 4.730 4.690 4.525 4.940 0.210 10 0 "[ . 1 . 2]" 1
515 1 84 ALA H 1 84 ALA MB . . 2.790 2.179 2.029 2.269 . 0 0 "[ . 1 . 2]" 1
516 1 84 ALA H 1 85 ALA H . . 3.050 2.606 2.368 2.829 . 0 0 "[ . 1 . 2]" 1
517 1 84 ALA HA 1 87 SER H . . 4.620 3.732 3.633 3.839 . 0 0 "[ . 1 . 2]" 1
518 1 84 ALA HA 1 87 SER HB3 . . 3.820 3.767 3.601 3.822 0.002 15 0 "[ . 1 . 2]" 1
519 1 84 ALA HA 1 88 LYS H . . 4.460 4.107 3.957 4.440 . 0 0 "[ . 1 . 2]" 1
520 1 84 ALA MB 1 85 ALA H . . 2.980 2.650 2.289 2.910 . 0 0 "[ . 1 . 2]" 1
521 1 85 ALA H 1 85 ALA MB . . 2.910 2.126 2.033 2.259 . 0 0 "[ . 1 . 2]" 1
522 1 85 ALA H 1 87 SER H . . 5.500 4.511 4.184 4.671 . 0 0 "[ . 1 . 2]" 1
523 1 85 ALA HA 1 88 LYS H . . 3.840 3.636 3.471 3.681 . 0 0 "[ . 1 . 2]" 1
524 1 85 ALA HA 1 88 LYS HB3 . . 3.980 4.075 4.017 4.121 0.141 18 0 "[ . 1 . 2]" 1
525 1 85 ALA HA 1 88 LYS HG3 . . 4.220 3.847 3.212 3.949 . 0 0 "[ . 1 . 2]" 1
526 1 85 ALA HA 1 89 LEU H . . 3.960 3.568 3.494 4.026 0.066 15 0 "[ . 1 . 2]" 1
527 1 85 ALA MB 1 86 LYS H . . 3.210 2.758 2.543 2.859 . 0 0 "[ . 1 . 2]" 1
528 1 86 LYS H 1 86 LYS HD3 . . 4.490 3.663 2.945 4.553 0.063 3 0 "[ . 1 . 2]" 1
529 1 86 LYS H 1 86 LYS HG3 . . 3.950 2.836 1.922 3.826 . 0 0 "[ . 1 . 2]" 1
530 1 86 LYS H 1 87 SER H . . 3.190 2.800 2.744 2.954 . 0 0 "[ . 1 . 2]" 1
531 1 86 LYS H 1 89 LEU H . . 5.500 4.586 4.482 4.677 . 0 0 "[ . 1 . 2]" 1
532 1 86 LYS HA 1 86 LYS HG3 . . 3.890 3.357 2.405 3.802 . 0 0 "[ . 1 . 2]" 1
533 1 86 LYS HA 1 89 LEU H . . 3.980 3.773 3.528 3.816 . 0 0 "[ . 1 . 2]" 1
534 1 86 LYS HA 1 89 LEU HB3 . . 3.800 2.977 2.736 3.813 0.013 17 0 "[ . 1 . 2]" 1
535 1 86 LYS HA 1 89 LEU QD . . 3.520 3.488 2.879 3.632 0.112 17 0 "[ . 1 . 2]" 1
536 1 86 LYS HA 1 89 LEU HG . . 4.860 4.902 4.483 5.090 0.230 15 0 "[ . 1 . 2]" 1
537 1 86 LYS HA 1 90 ASN H . . 5.380 3.956 3.675 4.312 . 0 0 "[ . 1 . 2]" 1
538 1 86 LYS HB3 1 87 SER H . . 3.720 3.470 3.126 3.884 0.164 18 0 "[ . 1 . 2]" 1
539 1 86 LYS HD3 1 87 SER H . . 5.500 4.653 2.778 5.509 0.009 13 0 "[ . 1 . 2]" 1
540 1 87 SER H 1 89 LEU H . . 5.030 4.320 4.091 4.369 . 0 0 "[ . 1 . 2]" 1
541 1 87 SER HA 1 88 LYS H . . 3.550 3.545 3.535 3.550 . 0 0 "[ . 1 . 2]" 1
542 1 87 SER HA 1 90 ASN H . . 4.370 3.877 3.655 3.910 . 0 0 "[ . 1 . 2]" 1
543 1 87 SER HA 1 90 ASN HB3 . . 3.980 3.772 3.531 3.994 0.014 15 0 "[ . 1 . 2]" 1
544 1 87 SER HA 1 91 ASP H . . 4.420 4.434 4.279 4.536 0.116 15 0 "[ . 1 . 2]" 1
545 1 88 LYS H 1 88 LYS HB3 . . 3.380 3.565 3.556 3.582 0.202 17 0 "[ . 1 . 2]" 1
546 1 88 LYS H 1 88 LYS HD3 . . 4.310 4.238 4.144 4.312 0.002 3 0 "[ . 1 . 2]" 1
547 1 88 LYS H 1 88 LYS HG3 . . 3.700 3.722 3.537 3.772 0.072 18 0 "[ . 1 . 2]" 1
548 1 88 LYS H 1 89 LEU H . . 3.260 2.741 2.604 2.764 . 0 0 "[ . 1 . 2]" 1
549 1 88 LYS H 1 90 ASN H . . 4.810 4.407 4.380 4.581 . 0 0 "[ . 1 . 2]" 1
550 1 88 LYS HA 1 88 LYS HD3 . . 4.230 2.932 2.754 3.195 . 0 0 "[ . 1 . 2]" 1
551 1 88 LYS HA 1 88 LYS HG3 . . 3.710 3.702 3.686 3.748 0.038 17 0 "[ . 1 . 2]" 1
552 1 88 LYS HA 1 91 ASP H . . 4.340 3.466 3.436 3.687 . 0 0 "[ . 1 . 2]" 1
553 1 88 LYS HA 1 91 ASP HB3 . . 4.220 3.386 3.056 3.796 . 0 0 "[ . 1 . 2]" 1
554 1 88 LYS HA 1 92 ALA H . . 4.490 4.481 4.224 4.544 0.054 1 0 "[ . 1 . 2]" 1
555 1 88 LYS HB3 1 89 LEU H . . 3.610 3.316 3.238 3.654 0.044 15 0 "[ . 1 . 2]" 1
556 1 89 LEU H 1 89 LEU HB3 . . 3.410 2.603 2.425 3.188 . 0 0 "[ . 1 . 2]" 1
557 1 89 LEU H 1 89 LEU MD1 . . 4.330 3.942 3.651 4.034 . 0 0 "[ . 1 . 2]" 1
558 1 89 LEU H 1 89 LEU QD . . 3.430 3.572 3.046 3.610 0.180 1 0 "[ . 1 . 2]" 1
559 1 89 LEU H 1 89 LEU MD2 . . 4.330 4.122 3.151 4.405 0.075 15 0 "[ . 1 . 2]" 1
560 1 89 LEU H 1 89 LEU HG . . 4.880 4.499 3.931 4.614 . 0 0 "[ . 1 . 2]" 1
561 1 89 LEU H 1 90 ASN H . . 3.220 2.913 2.758 2.938 . 0 0 "[ . 1 . 2]" 1
562 1 89 LEU HA 1 89 LEU MD1 . . 3.890 2.102 1.944 3.576 . 0 0 "[ . 1 . 2]" 1
563 1 89 LEU HA 1 89 LEU QD . . 2.840 1.989 1.939 2.842 0.002 15 0 "[ . 1 . 2]" 1
564 1 89 LEU HA 1 89 LEU MD2 . . 3.890 3.601 2.036 3.793 . 0 0 "[ . 1 . 2]" 1
565 1 89 LEU HA 1 89 LEU HG . . 3.790 3.307 2.200 3.702 . 0 0 "[ . 1 . 2]" 1
566 1 89 LEU HA 1 92 ALA H . . 3.900 3.415 3.312 3.438 . 0 0 "[ . 1 . 2]" 1
567 1 89 LEU HA 1 92 ALA MB . . 3.230 2.999 2.902 3.019 . 0 0 "[ . 1 . 2]" 1
568 1 89 LEU HA 1 93 VAL H . . 4.960 3.964 3.692 4.007 . 0 0 "[ . 1 . 2]" 1
569 1 89 LEU HB3 1 90 ASN H . . 3.850 2.308 2.291 2.473 . 0 0 "[ . 1 . 2]" 1
570 1 89 LEU QD 1 90 ASN H . . 3.990 3.682 2.588 3.777 . 0 0 "[ . 1 . 2]" 1
571 1 89 LEU MD1 1 90 ASN H . . 4.570 4.109 2.624 4.528 . 0 0 "[ . 1 . 2]" 1
572 1 89 LEU MD2 1 90 ASN H . . 4.570 4.214 3.782 4.594 0.024 17 0 "[ . 1 . 2]" 1
573 1 89 LEU HG 1 90 ASN H . . 5.500 3.647 3.455 4.816 . 0 0 "[ . 1 . 2]" 1
574 1 89 LEU HG 1 93 VAL QG . . 3.400 2.501 2.300 3.613 0.213 17 0 "[ . 1 . 2]" 1
575 1 90 ASN H 1 90 ASN HB3 . . 3.260 3.142 3.059 3.246 . 0 0 "[ . 1 . 2]" 1
576 1 90 ASN H 1 91 ASP H . . 3.060 2.680 2.669 2.731 . 0 0 "[ . 1 . 2]" 1
577 1 90 ASN HA 1 93 VAL H . . 3.910 3.530 3.488 3.705 . 0 0 "[ . 1 . 2]" 1
578 1 90 ASN HA 1 93 VAL HB . . 3.270 2.735 2.729 2.770 . 0 0 "[ . 1 . 2]" 1
579 1 90 ASN HA 1 93 VAL MG1 . . 3.970 4.078 4.070 4.107 0.137 15 0 "[ . 1 . 2]" 1
580 1 90 ASN HA 1 93 VAL QG . . 3.140 2.512 2.454 2.996 . 0 0 "[ . 1 . 2]" 1
581 1 90 ASN HA 1 93 VAL MG2 . . 3.970 2.537 2.474 3.079 . 0 0 "[ . 1 . 2]" 1
582 1 90 ASN HA 1 94 GLU H . . 4.390 3.639 3.614 3.712 . 0 0 "[ . 1 . 2]" 1
583 1 90 ASN HB3 1 91 ASP H . . 3.650 3.124 3.065 3.214 . 0 0 "[ . 1 . 2]" 1
584 1 91 ASP H 1 91 ASP HB3 . . 3.300 3.145 2.908 3.299 . 0 0 "[ . 1 . 2]" 1
585 1 91 ASP H 1 92 ALA H . . 3.320 2.525 2.479 2.531 . 0 0 "[ . 1 . 2]" 1
586 1 91 ASP H 1 92 ALA MB . . 4.030 4.166 4.128 4.171 0.141 16 0 "[ . 1 . 2]" 1
587 1 91 ASP H 1 93 VAL H . . 4.140 4.123 4.083 4.149 0.009 1 0 "[ . 1 . 2]" 1
588 1 91 ASP HA 1 94 GLU H . . 4.210 4.211 4.125 4.225 0.015 17 0 "[ . 1 . 2]" 1
589 1 91 ASP HA 1 94 GLU HB3 . . 4.370 4.385 4.267 4.405 0.035 17 0 "[ . 1 . 2]" 1
590 1 91 ASP HA 1 95 TYR H . . 5.210 4.759 4.671 4.786 . 0 0 "[ . 1 . 2]" 1
591 1 91 ASP HB3 1 92 ALA H . . 3.640 2.970 2.815 3.109 . 0 0 "[ . 1 . 2]" 1
592 1 92 ALA H 1 92 ALA MB . . 2.810 2.090 2.068 2.096 . 0 0 "[ . 1 . 2]" 1
593 1 92 ALA H 1 93 VAL H . . 3.170 2.482 2.460 2.577 . 0 0 "[ . 1 . 2]" 1
594 1 92 ALA H 1 94 GLU H . . 4.710 4.276 4.269 4.309 . 0 0 "[ . 1 . 2]" 1
595 1 92 ALA HA 1 95 TYR H . . 4.660 3.544 3.529 3.558 . 0 0 "[ . 1 . 2]" 1
596 1 92 ALA HA 1 95 TYR HB3 . . 3.940 2.939 2.913 2.952 . 0 0 "[ . 1 . 2]" 1
597 1 92 ALA HA 1 96 VAL H . . 5.110 4.149 4.144 4.152 . 0 0 "[ . 1 . 2]" 1
598 1 92 ALA MB 1 93 VAL H . . 3.080 2.582 2.529 2.607 . 0 0 "[ . 1 . 2]" 1
599 1 92 ALA MB 1 93 VAL MG1 . . 4.730 4.863 4.859 4.897 0.167 1 0 "[ . 1 . 2]" 1
600 1 92 ALA MB 1 93 VAL QG . . 3.530 3.095 3.083 3.137 . 0 0 "[ . 1 . 2]" 1
601 1 92 ALA MB 1 93 VAL MG2 . . 4.730 3.131 3.117 3.175 . 0 0 "[ . 1 . 2]" 1
602 1 93 VAL H 1 93 VAL HB . . 3.000 2.700 2.611 2.710 . 0 0 "[ . 1 . 2]" 1
603 1 93 VAL H 1 93 VAL MG1 . . 3.910 3.754 3.752 3.765 . 0 0 "[ . 1 . 2]" 1
604 1 93 VAL H 1 93 VAL QG . . 3.220 2.017 1.907 2.064 . 0 0 "[ . 1 . 2]" 1
605 1 93 VAL H 1 93 VAL MG2 . . 3.910 2.025 1.912 2.074 . 0 0 "[ . 1 . 2]" 1
606 1 93 VAL H 1 94 GLU H . . 3.200 2.937 2.926 2.955 . 0 0 "[ . 1 . 2]" 1
607 1 93 VAL HA 1 93 VAL MG1 . . 2.950 2.363 2.357 2.401 . 0 0 "[ . 1 . 2]" 1
608 1 93 VAL HA 1 93 VAL QG . . 2.560 2.126 2.123 2.147 . 0 0 "[ . 1 . 2]" 1
609 1 93 VAL HA 1 93 VAL MG2 . . 2.950 2.411 2.381 2.419 . 0 0 "[ . 1 . 2]" 1
610 1 93 VAL HA 1 96 VAL H . . 4.350 3.260 3.258 3.263 . 0 0 "[ . 1 . 2]" 1
611 1 93 VAL HA 1 96 VAL HB . . 3.750 2.625 2.622 2.632 . 0 0 "[ . 1 . 2]" 1
612 1 93 VAL HA 1 96 VAL MG1 . . 3.880 4.016 4.009 4.031 0.151 7 0 "[ . 1 . 2]" 1
613 1 93 VAL HA 1 96 VAL MG2 . . 3.570 2.445 2.412 2.544 . 0 0 "[ . 1 . 2]" 1
614 1 93 VAL HA 1 97 SER H . . 4.120 3.641 3.621 3.646 . 0 0 "[ . 1 . 2]" 1
615 1 93 VAL HB 1 94 GLU H . . 3.350 2.255 2.236 2.290 . 0 0 "[ . 1 . 2]" 1
616 1 93 VAL QG 1 94 GLU H . . 3.010 3.073 3.009 3.079 0.069 19 0 "[ . 1 . 2]" 1
617 1 93 VAL QG 1 94 GLU HA . . 3.800 3.459 3.276 3.477 . 0 0 "[ . 1 . 2]" 1
618 1 93 VAL QG 1 96 VAL HB . . 3.850 3.480 3.476 3.499 . 0 0 "[ . 1 . 2]" 1
619 1 93 VAL MG1 1 94 GLU H . . 3.510 3.329 3.186 3.343 . 0 0 "[ . 1 . 2]" 1
620 1 93 VAL MG2 1 94 GLU H . . 3.510 3.611 3.594 3.698 0.188 1 0 "[ . 1 . 2]" 1
621 1 94 GLU H 1 94 GLU HB3 . . 3.160 3.305 3.302 3.320 0.160 1 0 "[ . 1 . 2]" 1
622 1 94 GLU H 1 94 GLU HG3 . . 3.780 3.769 3.749 3.782 0.002 1 0 "[ . 1 . 2]" 1
623 1 94 GLU HA 1 94 GLU HG3 . . 4.030 3.290 3.269 3.337 . 0 0 "[ . 1 . 2]" 1
624 1 94 GLU HA 1 95 TYR H . . 3.550 3.516 3.513 3.518 . 0 0 "[ . 1 . 2]" 1
625 1 94 GLU HA 1 96 VAL H . . 4.560 4.575 4.570 4.576 0.016 8 0 "[ . 1 . 2]" 1
626 1 94 GLU HA 1 97 SER H . . 4.590 3.915 3.910 3.918 . 0 0 "[ . 1 . 2]" 1
627 1 94 GLU HA 1 97 SER HB3 . . 3.930 3.922 3.744 3.935 0.005 17 0 "[ . 1 . 2]" 1
628 1 94 GLU HA 1 98 GLY H . . 4.250 4.296 4.291 4.306 0.056 7 0 "[ . 1 . 2]" 1
629 1 94 GLU HB3 1 95 TYR H . . 3.890 3.020 3.009 3.036 . 0 0 "[ . 1 . 2]" 1
630 1 95 TYR H 1 95 TYR HB3 . . 3.290 2.563 2.558 2.567 . 0 0 "[ . 1 . 2]" 1
631 1 95 TYR H 1 96 VAL H . . 3.310 2.489 2.488 2.491 . 0 0 "[ . 1 . 2]" 1
632 1 95 TYR H 1 96 VAL MG2 . . 4.000 3.920 3.900 3.966 . 0 0 "[ . 1 . 2]" 1
633 1 95 TYR H 1 97 SER H . . 4.170 4.223 4.219 4.227 0.057 15 0 "[ . 1 . 2]" 1
634 1 95 TYR HA 1 95 TYR QD . . 3.680 3.108 3.073 3.124 . 0 0 "[ . 1 . 2]" 1
635 1 95 TYR HA 1 98 GLY H . . 4.380 3.590 3.572 3.678 . 0 0 "[ . 1 . 2]" 1
636 1 95 TYR HB3 1 96 VAL H . . 3.760 2.615 2.613 2.618 . 0 0 "[ . 1 . 2]" 1
637 1 95 TYR QD 1 96 VAL HA . . 4.740 2.986 2.964 3.037 . 0 0 "[ . 1 . 2]" 1
638 1 95 TYR QD 1 96 VAL MG1 . . 4.590 4.622 4.620 4.634 0.044 7 0 "[ . 1 . 2]" 1
639 1 95 TYR QD 1 96 VAL MG2 . . 3.420 3.088 3.037 3.112 . 0 0 "[ . 1 . 2]" 1
640 1 96 VAL H 1 96 VAL HB . . 3.080 2.607 2.581 2.618 . 0 0 "[ . 1 . 2]" 1
641 1 96 VAL H 1 96 VAL MG1 . . 3.610 3.766 3.765 3.767 0.157 7 0 "[ . 1 . 2]" 1
642 1 96 VAL H 1 96 VAL MG2 . . 2.920 2.203 2.190 2.241 . 0 0 "[ . 1 . 2]" 1
643 1 96 VAL H 1 97 SER H . . 3.170 2.737 2.730 2.740 . 0 0 "[ . 1 . 2]" 1
644 1 96 VAL H 1 98 GLY H . . 4.790 3.916 3.884 4.008 . 0 0 "[ . 1 . 2]" 1
645 1 96 VAL HA 1 96 VAL MG1 . . 3.010 2.394 2.392 2.397 . 0 0 "[ . 1 . 2]" 1
646 1 96 VAL HA 1 96 VAL MG2 . . 2.910 2.369 2.352 2.377 . 0 0 "[ . 1 . 2]" 1
647 1 96 VAL HA 1 98 GLY H . . 4.540 4.148 4.115 4.213 . 0 0 "[ . 1 . 2]" 1
648 1 96 VAL HA 1 99 ARG H . . 3.630 3.355 3.291 3.361 . 0 0 "[ . 1 . 2]" 1
649 1 96 VAL HA 1 99 ARG HB3 . . 3.980 4.030 4.023 4.050 0.070 7 0 "[ . 1 . 2]" 1
650 1 96 VAL HA 1 100 VAL H . . 4.800 3.830 3.797 4.080 . 0 0 "[ . 1 . 2]" 1
651 1 96 VAL HB 1 97 SER H . . 3.030 2.356 2.352 2.359 . 0 0 "[ . 1 . 2]" 1
652 1 96 VAL MG1 1 97 SER H . . 3.380 3.372 3.321 3.394 0.014 17 0 "[ . 1 . 2]" 1
653 1 96 VAL MG1 1 97 SER HA . . 4.200 3.480 3.423 3.510 . 0 0 "[ . 1 . 2]" 1
654 1 96 VAL MG1 1 98 GLY H . . 4.740 4.791 4.779 4.810 0.070 7 0 "[ . 1 . 2]" 1
655 1 96 VAL MG1 1 99 ARG H . . 4.560 4.341 4.255 4.367 . 0 0 "[ . 1 . 2]" 1
656 1 96 VAL MG2 1 97 SER H . . 3.580 3.677 3.664 3.699 0.119 7 0 "[ . 1 . 2]" 1
657 1 97 SER H 1 97 SER HA . . 2.760 2.795 2.772 2.801 0.041 17 0 "[ . 1 . 2]" 1
658 1 97 SER H 1 97 SER HB3 . . 3.320 3.216 3.138 3.222 . 0 0 "[ . 1 . 2]" 1
659 1 97 SER H 1 98 GLY H . . 3.180 2.675 2.652 2.757 . 0 0 "[ . 1 . 2]" 1
660 1 97 SER H 1 99 ARG H . . 4.480 4.065 4.049 4.071 . 0 0 "[ . 1 . 2]" 1
661 1 97 SER HA 1 98 GLY H . . 3.310 3.495 3.485 3.518 0.208 7 0 "[ . 1 . 2]" 1
662 1 97 SER HA 1 99 ARG H . . 4.040 4.075 4.071 4.100 0.060 17 0 "[ . 1 . 2]" 1
663 1 97 SER HA 1 100 VAL H . . 4.120 3.707 3.570 3.729 . 0 0 "[ . 1 . 2]" 1
664 1 97 SER HA 1 100 VAL HB . . 4.300 3.100 3.019 3.936 . 0 0 "[ . 1 . 2]" 1
665 1 97 SER HA 1 100 VAL MG1 . . 4.300 4.107 1.945 4.348 0.048 7 0 "[ . 1 . 2]" 1
666 1 97 SER HA 1 100 VAL QG . . 3.290 2.920 1.942 3.085 . 0 0 "[ . 1 . 2]" 1
667 1 97 SER HA 1 100 VAL MG2 . . 4.300 3.207 2.568 4.361 0.061 17 0 "[ . 1 . 2]" 1
668 1 97 SER HA 1 101 HIS H . . 5.070 4.231 3.837 4.706 . 0 0 "[ . 1 . 2]" 1
669 1 97 SER HB3 1 98 GLY H . . 3.580 3.106 2.896 3.159 . 0 0 "[ . 1 . 2]" 1
670 1 98 GLY H 1 99 ARG H . . 3.090 2.449 2.415 2.486 . 0 0 "[ . 1 . 2]" 1
671 1 98 GLY QA 1 99 ARG H . . 3.000 2.852 2.851 2.856 . 0 0 "[ . 1 . 2]" 1
672 1 98 GLY QA 1 101 HIS H . . 4.670 3.941 3.859 4.543 . 0 0 "[ . 1 . 2]" 1
673 1 98 GLY HA2 1 99 ARG H . . 3.450 3.453 3.449 3.455 0.005 19 0 "[ . 1 . 2]" 1
674 1 98 GLY HA3 1 99 ARG H . . 3.450 3.040 3.037 3.047 . 0 0 "[ . 1 . 2]" 1
675 1 99 ARG H 1 99 ARG HB3 . . 3.320 3.407 3.397 3.506 0.186 7 0 "[ . 1 . 2]" 1
676 1 99 ARG H 1 99 ARG HD3 . . 5.330 5.264 5.085 5.343 0.013 17 0 "[ . 1 . 2]" 1
677 1 99 ARG H 1 99 ARG HG3 . . 3.940 3.851 3.661 3.955 0.015 1 0 "[ . 1 . 2]" 1
678 1 99 ARG H 1 100 VAL H . . 2.940 2.390 2.327 2.412 . 0 0 "[ . 1 . 2]" 1
679 1 99 ARG H 1 100 VAL QG . . 4.050 3.792 3.230 3.873 . 0 0 "[ . 1 . 2]" 1
680 1 99 ARG H 1 101 HIS H . . 4.910 3.939 3.792 4.567 . 0 0 "[ . 1 . 2]" 1
681 1 99 ARG HA 1 99 ARG HD3 . . 4.280 3.154 2.789 4.027 . 0 0 "[ . 1 . 2]" 1
682 1 99 ARG HB3 1 99 ARG HD3 . . 4.190 2.836 2.483 3.184 . 0 0 "[ . 1 . 2]" 1
683 1 99 ARG HB3 1 100 VAL H . . 3.650 3.014 2.957 3.409 . 0 0 "[ . 1 . 2]" 1
684 1 100 VAL H 1 100 VAL HB . . 3.090 2.565 2.363 2.586 . 0 0 "[ . 1 . 2]" 1
685 1 100 VAL H 1 100 VAL MG1 . . 4.030 3.609 1.954 3.767 . 0 0 "[ . 1 . 2]" 1
686 1 100 VAL H 1 100 VAL QG . . 3.280 2.118 1.948 2.412 . 0 0 "[ . 1 . 2]" 1
687 1 100 VAL H 1 100 VAL MG2 . . 4.030 2.285 1.986 3.767 . 0 0 "[ . 1 . 2]" 1
688 1 100 VAL H 1 101 HIS H . . 3.410 2.843 2.775 3.181 . 0 0 "[ . 1 . 2]" 1
689 1 100 VAL HA 1 100 VAL HB . . 2.920 2.966 2.408 3.023 0.103 14 0 "[ . 1 . 2]" 1
690 1 100 VAL HA 1 100 VAL MG1 . . 3.260 2.454 2.360 3.196 . 0 0 "[ . 1 . 2]" 1
691 1 100 VAL HA 1 100 VAL QG . . 2.830 2.120 2.052 2.341 . 0 0 "[ . 1 . 2]" 1
692 1 100 VAL HA 1 100 VAL MG2 . . 3.260 2.347 2.250 2.423 . 0 0 "[ . 1 . 2]" 1
693 1 100 VAL HB 1 101 HIS H . . 3.710 2.731 1.968 3.907 0.197 4 0 "[ . 1 . 2]" 1
694 1 100 VAL QG 1 101 HIS HA . . 4.460 3.803 2.996 4.435 . 0 0 "[ . 1 . 2]" 1
695 1 100 VAL MG1 1 101 HIS H . . 4.000 3.288 1.945 3.606 . 0 0 "[ . 1 . 2]" 1
696 1 100 VAL MG2 1 101 HIS H . . 4.000 3.829 3.345 3.936 . 0 0 "[ . 1 . 2]" 1
697 1 101 HIS H 1 101 HIS HB3 . . 3.710 3.370 2.650 3.779 0.069 2 0 "[ . 1 . 2]" 1
698 1 101 HIS HB3 1 102 GLY H . . 5.500 3.134 1.919 4.483 . 0 0 "[ . 1 . 2]" 1
699 1 107 THR H 1 107 THR MG . . 4.730 3.566 2.068 4.051 . 0 0 "[ . 1 . 2]" 1
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