NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
370994 |
1c7v   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c7v
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 827
_Distance_constraint_stats_list.Viol_count 4933
_Distance_constraint_stats_list.Viol_total 21180.928
_Distance_constraint_stats_list.Viol_max 2.003
_Distance_constraint_stats_list.Viol_rms 0.1888
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0640
_Distance_constraint_stats_list.Viol_average_violations_only 0.2147
_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 7 GLU 3.405 0.266 7 0 "[ . 1 . 2]"
1 8 GLU 3.348 0.279 19 0 "[ . 1 . 2]"
1 9 GLU 4.425 0.279 19 0 "[ . 1 . 2]"
1 10 ILE 39.989 1.457 2 14 "[ +***** ** **** * -]"
1 11 LEU 19.501 1.180 19 18 "[***-.*** *********+*]"
1 12 ARG 18.404 1.180 19 17 "[** -.*** *********+*]"
1 13 ALA 19.277 1.194 16 9 "[- * * **1 * *+ *]"
1 14 PHE 53.807 0.907 2 18 "[*+*-****** ********]"
1 15 LYS 20.349 0.603 9 7 "[ * -. * +* * *. 2]"
1 16 VAL 49.343 1.194 16 20 [***************+****]
1 17 PHE 61.741 0.898 10 20 [*********+*****-****]
1 18 ASP 9.112 0.531 18 1 "[ . 1 . + 2]"
1 19 ALA 17.947 0.687 12 18 [*********1*+-*.*****]
1 20 ASN 13.532 0.408 13 0 "[ . 1 . 2]"
1 21 GLY 7.984 0.685 19 2 "[ . 1 - . +2]"
1 22 ASP 8.387 0.720 13 2 "[ .- 1 + . 2]"
1 23 GLY 11.028 0.831 17 7 "[ -*** *1 * . + 2]"
1 24 VAL 82.841 1.862 1 20 [+***************-***]
1 25 ILE 55.535 0.886 7 19 "[** ***+*********-***]"
1 26 ASP 39.650 1.088 5 19 "[****+**-***** ******]"
1 27 PHE 43.668 1.294 20 19 "[-***** ************+]"
1 28 ASP 8.644 0.354 14 0 "[ . 1 . 2]"
1 29 GLU 10.349 0.687 12 3 "[ -. 1 + .* 2]"
1 30 PHE 94.238 2.003 11 20 [**********+****-****]
1 31 LYS 7.861 0.518 11 1 "[ . 1+ . 2]"
1 32 PHE 5.821 0.518 11 1 "[ . 1+ . 2]"
1 33 ILE 63.270 1.163 18 20 [**********-******+**]
1 34 MET 22.417 1.386 13 8 "[ .** * +*.* * -]"
1 35 GLN 41.685 1.406 8 15 "[ -* .* +** *********]"
1 36 LYS 15.637 0.842 10 6 "[* . * + * . -*]"
1 37 VAL 4.613 0.842 10 2 "[* . + . 2]"
1 38 GLY 1.405 0.318 15 0 "[ . 1 . 2]"
1 39 GLU 2.592 0.142 6 0 "[ . 1 . 2]"
1 40 GLU 21.787 1.492 9 14 "[ **.**-+* ** *****2]"
1 41 PRO 26.553 1.386 13 15 "[ * *.**- * *+*******]"
1 42 LEU 21.116 1.492 9 12 "[*-* . **+* * **** 2]"
1 43 THR 24.537 0.947 7 12 "[** -.*+* ** ** ** 2]"
1 44 ASP 26.207 1.741 16 13 "[**-**** ** * .+ **2]"
1 45 ALA 13.412 0.882 11 4 "[ * -. 1+ . * 2]"
1 46 GLU 25.231 0.920 17 5 "[ .* *- *. + 2]"
1 47 VAL 137.301 2.003 11 20 [**-*******+*********]
1 48 GLU 12.746 0.974 2 4 "[ + .- 1* .* 2]"
1 49 GLU 17.270 0.932 12 16 "[***** ***- + **** **]"
1 50 ALA 7.778 0.236 13 0 "[ . 1 . 2]"
1 51 MET 67.137 1.109 9 19 [-*******+*****.*****]
1 52 LYS 17.229 0.932 12 16 "[***** ***- + **** **]"
1 53 GLU 3.639 0.178 3 0 "[ . 1 . 2]"
1 54 ALA 31.323 1.120 2 20 [*+**************-***]
1 55 ASP 30.662 1.142 18 20 [*******-*********+**]
1 56 GLU 6.488 0.319 2 0 "[ . 1 . 2]"
1 57 ASP 12.074 0.491 13 0 "[ . 1 . 2]"
1 58 GLY 6.860 0.491 13 0 "[ . 1 . 2]"
1 59 ASN 26.062 1.170 1 18 "[+***.*** **********-]"
1 60 GLY 0.652 0.141 9 0 "[ . 1 . 2]"
1 61 VAL 110.080 1.862 1 20 [+******-************]
1 62 ILE 82.645 1.142 18 20 [*******-*********+**]
1 63 ASP 37.024 0.729 18 20 [********-********+**]
1 64 ILE 37.133 1.535 5 17 "[*** +*** **** -*****]"
1 65 PRO 3.760 0.143 9 0 "[ . 1 . 2]"
1 66 GLU 8.842 0.319 2 0 "[ . 1 . 2]"
1 67 PHE 55.805 0.934 16 19 "[***-****** ****+****]"
1 68 MET 64.892 1.535 5 20 [***-+***************]
1 69 ASP 11.315 0.818 3 1 "[ + . 1 . 2]"
1 70 LEU 32.730 1.120 2 20 [*+*************-****]
1 71 ILE 34.564 1.457 2 15 "[ + *- ****** *** ***]"
1 72 LYS 2.963 0.405 7 0 "[ . 1 . 2]"
1 73 LYS 5.645 0.451 1 0 "[ . 1 . 2]"
1 74 SER 5.266 0.451 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 ASP H 1 58 GLY H 2.900 . 2.900 2.657 2.259 3.347 0.447 13 0 "[ . 1 . 2]" 1
2 1 58 GLY H 1 59 ASN H 2.900 . 2.900 2.907 1.730 3.228 0.328 18 0 "[ . 1 . 2]" 1
3 1 57 ASP HA 1 58 GLY H 3.700 2.900 3.700 3.457 2.409 3.845 0.491 13 0 "[ . 1 . 2]" 1
4 1 58 GLY H 1 58 GLY HA3 2.900 . 2.900 2.851 2.020 2.977 0.077 4 0 "[ . 1 . 2]" 1
5 1 58 GLY H 1 58 GLY HA2 2.900 . 2.900 2.367 2.169 2.727 . 0 0 "[ . 1 . 2]" 1
6 1 56 GLU QB 1 58 GLY H 5.000 3.700 6.000 4.977 4.014 5.402 . 0 0 "[ . 1 . 2]" 1
7 1 57 ASP HB3 1 58 GLY H 5.000 3.700 5.000 3.689 3.365 4.707 0.335 2 0 "[ . 1 . 2]" 1
8 1 57 ASP HB2 1 58 GLY H 5.000 3.700 5.000 4.485 4.054 4.641 . 0 0 "[ . 1 . 2]" 1
9 1 58 GLY H 1 60 GLY H 5.000 3.700 5.000 4.303 3.654 4.886 0.046 13 0 "[ . 1 . 2]" 1
10 1 60 GLY H 1 61 VAL H 2.900 . 2.900 2.621 2.159 3.041 0.141 9 0 "[ . 1 . 2]" 1
11 1 61 VAL H 1 62 ILE H 5.000 3.700 5.000 4.356 4.143 4.548 . 0 0 "[ . 1 . 2]" 1
12 1 59 ASN H 1 61 VAL H 5.000 3.700 5.000 4.839 4.435 5.044 0.044 20 0 "[ . 1 . 2]" 1
13 1 61 VAL H 1 61 VAL HA 3.700 2.900 3.700 3.051 2.966 3.110 . 0 0 "[ . 1 . 2]" 1
14 1 60 GLY HA3 1 61 VAL H 3.700 2.900 3.700 3.311 3.009 3.527 . 0 0 "[ . 1 . 2]" 1
15 1 60 GLY HA2 1 61 VAL H 3.700 2.900 3.700 3.371 2.999 3.562 . 0 0 "[ . 1 . 2]" 1
16 1 61 VAL H 1 61 VAL HB 5.000 3.700 5.000 3.805 3.404 4.179 0.296 2 0 "[ . 1 . 2]" 1
17 1 61 VAL H 1 61 VAL QG 3.700 2.900 3.900 2.585 2.243 2.943 0.657 10 5 "[*- . * + . *2]" 1
18 1 21 GLY H 1 22 ASP H 3.700 2.900 3.700 2.938 2.420 3.565 0.480 13 0 "[ . 1 . 2]" 1
19 1 20 ASN H 1 21 GLY H 3.700 2.900 3.700 2.944 2.620 3.486 0.280 18 0 "[ . 1 . 2]" 1
20 1 20 ASN HA 1 21 GLY H 3.700 2.900 3.700 3.429 2.492 3.609 0.408 13 0 "[ . 1 . 2]" 1
21 1 20 ASN HB3 1 21 GLY H 5.000 3.700 5.000 4.103 3.543 4.685 0.157 19 0 "[ . 1 . 2]" 1
22 1 20 ASN HB2 1 21 GLY H 5.000 3.700 5.000 4.437 3.994 4.632 . 0 0 "[ . 1 . 2]" 1
23 1 19 ALA MB 1 21 GLY H 5.000 3.700 6.000 4.353 3.015 4.979 0.685 19 1 "[ . 1 . +2]" 1
24 1 37 VAL H 1 38 GLY H 5.000 3.700 5.000 4.052 3.625 4.600 0.075 9 0 "[ . 1 . 2]" 1
25 1 37 VAL HA 1 38 GLY H 2.900 . 2.900 2.174 2.101 2.316 . 0 0 "[ . 1 . 2]" 1
26 1 37 VAL HB 1 38 GLY H 5.000 3.700 5.000 4.419 4.039 4.661 . 0 0 "[ . 1 . 2]" 1
27 1 38 GLY H 1 38 GLY HA3 2.900 . 2.900 2.916 2.364 3.018 0.118 17 0 "[ . 1 . 2]" 1
28 1 38 GLY H 1 38 GLY HA2 2.900 . 2.900 2.424 2.345 2.786 . 0 0 "[ . 1 . 2]" 1
29 1 23 GLY H 1 24 VAL H 2.900 . 2.900 2.450 1.594 3.103 0.206 13 0 "[ . 1 . 2]" 1
30 1 24 VAL H 1 25 ILE H 5.000 4.000 5.000 4.445 4.266 4.566 . 0 0 "[ . 1 . 2]" 1
31 1 22 ASP H 1 24 VAL H 3.700 2.900 3.700 3.709 3.224 4.182 0.482 13 0 "[ . 1 . 2]" 1
32 1 24 VAL H 1 24 VAL HA 2.900 . 2.900 2.994 2.768 3.044 0.144 14 0 "[ . 1 . 2]" 1
33 1 23 GLY HA3 1 24 VAL H 3.700 2.900 3.700 3.367 2.877 3.668 0.023 2 0 "[ . 1 . 2]" 1
34 1 23 GLY HA2 1 24 VAL H 3.700 2.900 3.700 3.358 2.827 3.661 0.073 6 0 "[ . 1 . 2]" 1
35 1 24 VAL H 1 24 VAL HB 3.700 2.900 3.700 3.082 2.705 3.933 0.233 13 0 "[ . 1 . 2]" 1
36 1 24 VAL H 1 24 VAL QG 3.700 3.700 4.700 2.683 2.118 3.569 1.582 9 19 "[***** **+***-*******]" 1
37 1 35 GLN QB 1 35 GLN QE 5.000 3.700 6.000 3.324 2.708 3.722 0.992 6 8 "[ .+ ** **-. **]" 1
38 1 35 GLN QE 1 47 VAL QG 5.000 3.700 6.000 3.180 2.294 3.994 1.406 8 11 "[ * . +*1 ***- ****]" 1
39 1 19 ALA H 1 20 ASN H 3.700 2.900 3.700 3.025 2.842 3.777 0.077 15 0 "[ . 1 . 2]" 1
40 1 20 ASN H 1 20 ASN HA 2.900 . 2.900 2.802 1.911 2.982 0.082 18 0 "[ . 1 . 2]" 1
41 1 18 ASP HA 1 20 ASN H 5.000 3.700 5.000 4.246 3.770 5.078 0.078 18 0 "[ . 1 . 2]" 1
42 1 19 ALA HA 1 20 ASN H 3.700 2.900 3.700 3.417 2.705 3.606 0.195 1 0 "[ . 1 . 2]" 1
43 1 20 ASN H 1 20 ASN HB3 3.700 2.900 3.700 2.958 2.681 3.912 0.219 17 0 "[ . 1 . 2]" 1
44 1 20 ASN H 1 20 ASN HB2 3.700 2.900 3.700 3.413 2.806 3.767 0.094 12 0 "[ . 1 . 2]" 1
45 1 19 ALA MB 1 20 ASN H 2.900 . 3.900 2.587 1.843 3.612 . 0 0 "[ . 1 . 2]" 1
46 1 20 ASN HB3 1 20 ASN HD21 5.000 2.900 5.000 3.139 2.717 3.704 0.183 8 0 "[ . 1 . 2]" 1
47 1 20 ASN HB3 1 20 ASN HD22 5.000 3.300 5.000 3.893 3.746 4.063 . 0 0 "[ . 1 . 2]" 1
48 1 20 ASN HB2 1 20 ASN HD21 5.000 2.900 5.000 2.925 2.697 3.715 0.203 19 0 "[ . 1 . 2]" 1
49 1 20 ASN HB2 1 20 ASN HD22 5.000 3.300 5.000 3.832 3.729 4.100 . 0 0 "[ . 1 . 2]" 1
50 1 22 ASP H 1 23 GLY H 2.900 . 2.900 2.489 1.984 3.206 0.306 13 0 "[ . 1 . 2]" 1
51 1 22 ASP HA 1 23 GLY H 3.700 2.900 3.700 3.178 2.180 3.478 0.720 13 2 "[ .- 1 + . 2]" 1
52 1 23 GLY H 1 23 GLY HA3 2.900 . 2.900 2.991 2.912 3.026 0.126 5 0 "[ . 1 . 2]" 1
53 1 21 GLY HA3 1 23 GLY H 6.733 . 6.733 4.925 3.403 6.484 . 0 0 "[ . 1 . 2]" 1
54 1 23 GLY H 1 23 GLY HA2 2.900 . 2.900 2.447 2.319 2.613 . 0 0 "[ . 1 . 2]" 1
55 1 59 ASN H 1 60 GLY H 3.700 2.900 3.700 2.945 2.802 3.430 0.098 18 0 "[ . 1 . 2]" 1
56 1 59 ASN HA 1 60 GLY H 4.700 3.400 4.700 3.591 3.324 3.832 0.076 10 0 "[ . 1 . 2]" 1
57 1 58 GLY HA2 1 60 GLY H 6.716 . 6.716 4.518 3.977 5.931 . 0 0 "[ . 1 . 2]" 1
58 1 42 LEU H 1 43 THR H 5.000 3.700 5.000 3.650 3.490 4.449 0.210 7 0 "[ . 1 . 2]" 1
59 1 43 THR H 1 43 THR HB 3.700 2.900 3.700 3.714 2.843 3.898 0.198 17 0 "[ . 1 . 2]" 1
60 1 43 THR H 1 43 THR HA 3.700 2.900 3.700 2.993 2.916 3.031 . 0 0 "[ . 1 . 2]" 1
61 1 43 THR H 1 43 THR MG 2.900 . 3.900 2.943 2.353 3.482 . 0 0 "[ . 1 . 2]" 1
62 1 42 LEU MD1 1 43 THR H 3.700 2.900 4.700 3.700 2.095 5.647 0.947 7 4 "[* . +* 1 - 2]" 1
63 1 57 ASP H 1 57 ASP HA 3.700 2.900 3.700 2.944 2.468 3.106 0.432 13 0 "[ . 1 . 2]" 1
64 1 55 ASP HA 1 57 ASP H 5.000 3.700 5.000 3.771 3.604 4.108 0.096 7 0 "[ . 1 . 2]" 1
65 1 56 GLU HA 1 57 ASP H 3.700 2.900 3.700 3.428 3.099 3.559 . 0 0 "[ . 1 . 2]" 1
66 1 57 ASP H 1 58 GLY HA2 6.716 . 6.716 4.829 4.389 5.833 . 0 0 "[ . 1 . 2]" 1
67 1 57 ASP H 1 57 ASP HB3 3.700 . 3.700 2.926 2.390 3.901 0.201 13 0 "[ . 1 . 2]" 1
68 1 57 ASP H 1 57 ASP HB2 3.700 . 3.700 3.398 2.955 3.961 0.261 1 0 "[ . 1 . 2]" 1
69 1 56 GLU HG2 1 57 ASP H 5.000 3.700 5.000 5.034 4.878 5.145 0.145 20 0 "[ . 1 . 2]" 1
70 1 56 GLU QB 1 57 ASP H 2.900 . 3.900 3.337 2.922 3.563 . 0 0 "[ . 1 . 2]" 1
71 1 33 ILE H 1 34 MET H 3.000 2.600 3.000 2.590 2.493 2.741 0.107 19 0 "[ . 1 . 2]" 1
72 1 34 MET H 1 35 GLN H 2.900 . 2.900 3.000 2.946 3.107 0.207 9 0 "[ . 1 . 2]" 1
73 1 34 MET H 1 34 MET HA 3.700 2.900 3.700 2.883 2.796 2.961 0.104 16 0 "[ . 1 . 2]" 1
74 1 33 ILE HA 1 34 MET H 3.700 3.300 3.700 3.360 3.192 3.487 0.108 16 0 "[ . 1 . 2]" 1
75 1 33 ILE HB 1 34 MET H 3.700 2.900 3.700 3.802 3.318 3.933 0.233 9 0 "[ . 1 . 2]" 1
76 1 33 ILE HG13 1 34 MET H 5.000 2.900 5.000 5.072 4.830 5.177 0.177 13 0 "[ . 1 . 2]" 1
77 1 33 ILE HG12 1 34 MET H 5.000 2.900 5.000 4.922 4.720 5.194 0.194 7 0 "[ . 1 . 2]" 1
78 1 14 PHE H 1 15 LYS H 3.000 2.600 3.000 2.674 2.546 2.870 0.054 9 0 "[ . 1 . 2]" 1
79 1 15 LYS H 1 16 VAL H 3.000 2.600 3.000 2.719 2.597 2.932 0.003 15 0 "[ . 1 . 2]" 1
80 1 14 PHE QD 1 15 LYS H 3.700 2.900 5.700 3.674 3.474 4.105 . 0 0 "[ . 1 . 2]" 1
81 1 13 ALA HA 1 15 LYS H 4.600 4.200 4.600 4.679 4.591 4.740 0.140 9 0 "[ . 1 . 2]" 1
82 1 15 LYS H 1 15 LYS HA 2.900 . 2.900 2.998 2.962 3.023 0.123 5 0 "[ . 1 . 2]" 1
83 1 14 PHE HB3 1 15 LYS H 3.700 . 3.700 2.699 2.562 2.869 . 0 0 "[ . 1 . 2]" 1
84 1 14 PHE HA 1 15 LYS H 3.700 3.300 3.700 3.572 3.479 3.627 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE HB2 1 15 LYS H 3.700 . 3.700 3.820 3.735 3.872 0.172 9 0 "[ . 1 . 2]" 1
86 1 15 LYS H 1 15 LYS HD3 6.740 . 6.740 5.107 4.593 5.408 . 0 0 "[ . 1 . 2]" 1
87 1 15 LYS H 1 15 LYS QG 3.700 2.900 4.700 2.490 2.301 2.756 0.599 2 4 "[ + . * * - . 2]" 1
88 1 15 LYS H 1 16 VAL QG 5.000 3.700 6.000 4.660 4.382 4.755 . 0 0 "[ . 1 . 2]" 1
89 1 59 ASN HB3 1 59 ASN QD . 2.900 3.700 3.204 2.724 3.434 0.176 8 0 "[ . 1 . 2]" 1
90 1 59 ASN HB2 1 59 ASN QD . 2.900 3.700 2.732 2.638 2.855 0.262 17 0 "[ . 1 . 2]" 1
91 1 59 ASN QD 1 61 VAL QG 5.000 3.700 6.000 2.849 2.530 3.347 1.170 1 18 "[+***.*** **********-]" 1
92 1 73 LYS H 1 73 LYS HA 2.900 . 2.900 2.768 1.994 3.029 0.129 17 0 "[ . 1 . 2]" 1
93 1 72 LYS QB 1 73 LYS H 3.700 2.900 4.700 3.188 2.495 3.854 0.405 7 0 "[ . 1 . 2]" 1
94 1 71 ILE HA 1 73 LYS H 4.600 4.200 4.600 4.580 4.149 4.891 0.291 4 0 "[ . 1 . 2]" 1
95 1 73 LYS H 1 74 SER H 3.000 2.600 3.000 2.955 2.533 3.451 0.451 1 0 "[ . 1 . 2]" 1
96 1 51 MET H 1 53 GLU H 4.400 4.000 4.400 4.175 3.996 4.320 0.004 9 0 "[ . 1 . 2]" 1
97 1 52 LYS H 1 53 GLU H 3.000 2.600 3.000 2.887 2.779 2.967 . 0 0 "[ . 1 . 2]" 1
98 1 53 GLU H 1 54 ALA H 3.000 2.600 3.000 2.795 2.665 2.936 . 0 0 "[ . 1 . 2]" 1
99 1 52 LYS HA 1 53 GLU H 3.700 3.300 3.700 3.668 3.585 3.721 0.021 5 0 "[ . 1 . 2]" 1
100 1 53 GLU H 1 53 GLU HA 2.900 . 2.900 2.940 2.915 2.957 0.057 3 0 "[ . 1 . 2]" 1
101 1 51 MET HA 1 53 GLU H 4.600 4.200 4.600 4.407 4.173 4.536 0.027 2 0 "[ . 1 . 2]" 1
102 1 53 GLU H 1 53 GLU HG3 5.450 . 5.450 4.039 2.420 4.722 . 0 0 "[ . 1 . 2]" 1
103 1 53 GLU H 1 53 GLU HB3 3.700 . 3.700 2.937 2.371 3.730 0.030 5 0 "[ . 1 . 2]" 1
104 1 53 GLU H 1 53 GLU HB2 3.700 . 3.700 2.675 2.235 3.735 0.035 11 0 "[ . 1 . 2]" 1
105 1 52 LYS QB 1 53 GLU H 2.900 . 3.900 2.972 2.367 3.651 . 0 0 "[ . 1 . 2]" 1
106 1 53 GLU H 1 54 ALA MB 5.000 3.700 6.000 4.571 4.408 4.802 . 0 0 "[ . 1 . 2]" 1
107 1 63 ASP HA 1 64 ILE H 2.900 . 2.900 2.372 2.257 2.504 . 0 0 "[ . 1 . 2]" 1
108 1 64 ILE H 1 65 PRO HD3 5.455 . 5.455 2.874 2.702 3.091 . 0 0 "[ . 1 . 2]" 1
109 1 64 ILE H 1 64 ILE HA 2.900 . 2.900 2.819 2.764 2.869 . 0 0 "[ . 1 . 2]" 1
110 1 63 ASP HB3 1 64 ILE H 3.700 2.900 3.700 3.906 3.879 3.935 0.235 13 0 "[ . 1 . 2]" 1
111 1 63 ASP HB2 1 64 ILE H 3.700 2.900 3.700 2.778 2.725 2.821 0.175 19 0 "[ . 1 . 2]" 1
112 1 64 ILE H 1 64 ILE HB 2.900 . 2.900 2.996 2.922 3.062 0.162 2 0 "[ . 1 . 2]" 1
113 1 64 ILE H 1 64 ILE HG13 3.700 . 3.700 2.115 1.857 2.489 . 0 0 "[ . 1 . 2]" 1
114 1 64 ILE H 1 64 ILE MG 3.700 2.900 4.700 3.982 3.886 4.032 . 0 0 "[ . 1 . 2]" 1
115 1 64 ILE H 1 64 ILE MD 3.700 2.900 4.700 3.615 2.726 3.896 0.174 17 0 "[ . 1 . 2]" 1
116 1 64 ILE H 1 64 ILE HG12 3.700 . 3.700 3.053 2.259 3.736 0.036 17 0 "[ . 1 . 2]" 1
117 1 35 GLN H 1 35 GLN HA 2.900 . 2.900 2.983 2.826 3.069 0.169 9 0 "[ . 1 . 2]" 1
118 1 34 MET HA 1 35 GLN H 3.700 2.900 3.700 3.471 3.377 3.574 . 0 0 "[ . 1 . 2]" 1
119 1 33 ILE HA 1 35 GLN H 5.000 3.700 5.000 4.507 3.763 5.006 0.006 15 0 "[ . 1 . 2]" 1
120 1 35 GLN H 1 35 GLN QG 3.700 2.900 4.700 2.648 2.356 3.350 0.544 8 2 "[ - . + 1 . 2]" 1
121 1 33 ILE H 1 35 GLN H 5.000 3.700 5.000 5.048 4.478 5.236 0.236 16 0 "[ . 1 . 2]" 1
122 1 35 GLN H 1 35 GLN QB 2.900 . 3.900 2.768 2.138 3.553 . 0 0 "[ . 1 . 2]" 1
123 1 34 MET QG 1 35 GLN H 3.700 2.900 3.700 3.098 2.563 3.405 0.337 18 0 "[ . 1 . 2]" 1
124 1 32 PHE H 1 32 PHE HA 3.700 2.900 3.700 2.934 2.853 2.993 0.047 13 0 "[ . 1 . 2]" 1
125 1 32 PHE H 1 32 PHE HB2 2.900 . 2.900 2.699 2.239 2.923 0.023 16 0 "[ . 1 . 2]" 1
126 1 32 PHE H 1 32 PHE HB3 2.900 . 2.900 2.330 2.167 3.307 0.407 13 0 "[ . 1 . 2]" 1
127 1 31 LYS QB 1 32 PHE H 3.700 2.900 4.700 2.831 2.382 3.854 0.518 11 1 "[ . 1+ . 2]" 1
128 1 31 LYS HA 1 32 PHE H 3.700 3.300 3.700 3.572 3.438 3.715 0.015 13 0 "[ . 1 . 2]" 1
129 1 31 LYS QG 1 32 PHE H 3.700 2.900 4.700 3.731 2.424 4.286 0.476 8 0 "[ . 1 . 2]" 1
130 1 17 PHE H 1 18 ASP H 3.700 2.900 3.700 2.947 2.824 3.162 0.076 10 0 "[ . 1 . 2]" 1
131 1 17 PHE H 1 17 PHE HA 2.900 . 2.900 2.791 2.746 2.853 . 0 0 "[ . 1 . 2]" 1
132 1 15 LYS HA 1 17 PHE H 4.600 4.200 4.600 4.438 4.195 4.654 0.054 15 0 "[ . 1 . 2]" 1
133 1 16 VAL HA 1 17 PHE H 3.700 3.300 3.700 3.574 3.532 3.614 . 0 0 "[ . 1 . 2]" 1
134 1 16 VAL H 1 17 PHE H 3.000 2.600 3.000 2.579 2.511 2.633 0.089 15 0 "[ . 1 . 2]" 1
135 1 14 PHE HA 1 17 PHE H 3.600 3.200 3.600 3.422 3.264 3.636 0.036 8 0 "[ . 1 . 2]" 1
136 1 17 PHE H 1 17 PHE QB 2.900 . 2.900 2.074 1.983 2.314 . 0 0 "[ . 1 . 2]" 1
137 1 16 VAL QG 1 17 PHE H 3.700 2.900 4.700 2.707 2.178 3.331 0.722 9 8 "[ * * *+1 * *- *]" 1
138 1 17 PHE H 1 25 ILE MD 5.000 3.700 6.000 4.606 4.447 4.846 . 0 0 "[ . 1 . 2]" 1
139 1 16 VAL HB 1 17 PHE H 3.700 2.900 3.700 3.149 2.754 3.747 0.146 10 0 "[ . 1 . 2]" 1
140 1 66 GLU H 1 67 PHE H 3.000 2.600 3.000 3.021 2.880 3.169 0.169 10 0 "[ . 1 . 2]" 1
141 1 63 ASP H 1 66 GLU H 5.000 3.700 5.000 3.896 3.673 4.177 0.027 13 0 "[ . 1 . 2]" 1
142 1 65 PRO HA 1 66 GLU H 3.700 3.300 3.700 3.690 3.644 3.743 0.043 10 0 "[ . 1 . 2]" 1
143 1 66 GLU H 1 66 GLU HA 2.900 . 2.900 2.894 2.781 2.929 0.029 18 0 "[ . 1 . 2]" 1
144 1 64 ILE HA 1 66 GLU H 4.600 4.200 4.600 4.455 4.272 4.634 0.034 19 0 "[ . 1 . 2]" 1
145 1 65 PRO HD3 1 66 GLU H 5.000 2.900 5.000 4.412 4.220 4.599 . 0 0 "[ . 1 . 2]" 1
146 1 65 PRO HD2 1 66 GLU H 5.000 2.900 5.000 3.132 2.923 3.359 . 0 0 "[ . 1 . 2]" 1
147 1 63 ASP HB3 1 66 GLU H 6.705 . 6.705 5.426 5.187 5.562 . 0 0 "[ . 1 . 2]" 1
148 1 66 GLU H 1 66 GLU HG3 3.700 . 3.700 3.388 2.444 3.913 0.213 2 0 "[ . 1 . 2]" 1
149 1 66 GLU H 1 66 GLU HG2 3.700 . 3.700 3.080 2.332 3.840 0.140 13 0 "[ . 1 . 2]" 1
150 1 62 ILE MG 1 66 GLU H 3.700 2.900 4.700 3.669 3.327 3.844 . 0 0 "[ . 1 . 2]" 1
151 1 65 PRO HB3 1 66 GLU H 4.692 . 4.692 4.261 4.065 4.449 . 0 0 "[ . 1 . 2]" 1
152 1 67 PHE H 1 68 MET H 3.000 2.600 3.000 2.846 2.692 2.994 . 0 0 "[ . 1 . 2]" 1
153 1 66 GLU H 1 68 MET H 4.400 4.000 4.400 4.340 3.918 4.525 0.125 18 0 "[ . 1 . 2]" 1
154 1 68 MET H 1 70 LEU H 4.400 4.000 4.400 4.163 3.883 4.400 0.117 3 0 "[ . 1 . 2]" 1
155 1 68 MET H 1 69 ASP H 3.000 2.600 3.000 2.885 2.582 3.070 0.070 18 0 "[ . 1 . 2]" 1
156 1 67 PHE QD 1 68 MET H 5.000 3.700 7.000 3.399 2.804 4.102 0.896 6 6 "[ .+ *1 - . * **]" 1
157 1 67 PHE HA 1 68 MET H 3.700 3.300 3.700 3.578 3.491 3.648 . 0 0 "[ . 1 . 2]" 1
158 1 68 MET H 1 68 MET HA 3.700 2.900 3.700 2.940 2.863 3.014 0.037 18 0 "[ . 1 . 2]" 1
159 1 67 PHE HB2 1 68 MET H 5.419 . 5.419 4.044 3.840 4.192 . 0 0 "[ . 1 . 2]" 1
160 1 68 MET H 1 68 MET HG3 3.700 2.900 3.700 3.441 2.805 3.838 0.138 9 0 "[ . 1 . 2]" 1
161 1 68 MET H 1 68 MET HG2 3.700 2.900 3.700 3.236 2.784 4.049 0.349 3 0 "[ . 1 . 2]" 1
162 1 68 MET H 1 68 MET HB3 3.700 2.900 3.700 3.438 2.443 3.785 0.457 3 0 "[ . 1 . 2]" 1
163 1 68 MET H 1 68 MET HB2 3.700 2.900 3.700 3.115 2.597 3.767 0.303 9 0 "[ . 1 . 2]" 1
164 1 64 ILE MG 1 68 MET H 5.000 3.700 6.000 3.787 3.559 4.111 0.141 11 0 "[ . 1 . 2]" 1
165 1 27 PHE H 1 28 ASP H 3.000 2.600 3.000 2.719 2.577 3.048 0.048 6 0 "[ . 1 . 2]" 1
166 1 27 PHE H 1 27 PHE QD 5.000 3.700 7.000 4.303 4.058 4.441 . 0 0 "[ . 1 . 2]" 1
167 1 26 ASP HA 1 27 PHE H 3.700 2.300 3.700 2.643 2.319 2.810 . 0 0 "[ . 1 . 2]" 1
168 1 27 PHE H 1 27 PHE HA 2.900 . 2.900 2.953 2.927 2.987 0.087 7 0 "[ . 1 . 2]" 1
169 1 27 PHE H 1 27 PHE QB 2.900 . 2.900 2.323 2.175 2.432 . 0 0 "[ . 1 . 2]" 1
170 1 26 ASP QB 1 27 PHE H 3.700 . 3.700 2.416 2.163 3.154 . 0 0 "[ . 1 . 2]" 1
171 1 28 ASP H 1 29 GLU H 3.000 2.600 3.000 2.814 2.623 3.027 0.027 15 0 "[ . 1 . 2]" 1
172 1 27 PHE QD 1 28 ASP H 5.000 3.700 7.000 4.142 3.346 4.512 0.354 14 0 "[ . 1 . 2]" 1
173 1 27 PHE HA 1 28 ASP H 3.700 3.300 3.700 3.567 3.532 3.652 . 0 0 "[ . 1 . 2]" 1
174 1 28 ASP H 1 28 ASP HA 3.700 2.900 3.700 2.974 2.913 3.014 . 0 0 "[ . 1 . 2]" 1
175 1 27 PHE QB 1 28 ASP H 3.700 2.900 3.700 2.745 2.684 2.798 0.216 6 0 "[ . 1 . 2]" 1
176 1 28 ASP H 1 28 ASP HB3 3.700 2.900 3.700 3.793 3.764 3.813 0.113 6 0 "[ . 1 . 2]" 1
177 1 28 ASP H 1 28 ASP HB2 3.700 2.900 3.700 2.754 2.704 2.774 0.196 8 0 "[ . 1 . 2]" 1
178 1 51 MET H 1 52 LYS H 3.000 2.600 3.000 2.664 2.574 2.824 0.026 15 0 "[ . 1 . 2]" 1
179 1 52 LYS H 1 54 ALA H 4.400 4.000 4.400 4.365 4.226 4.455 0.055 2 0 "[ . 1 . 2]" 1
180 1 52 LYS H 1 52 LYS HA 2.900 . 2.900 2.935 2.916 2.958 0.058 8 0 "[ . 1 . 2]" 1
181 1 51 MET HA 1 52 LYS H 3.700 3.300 3.700 3.672 3.634 3.723 0.023 10 0 "[ . 1 . 2]" 1
182 1 52 LYS H 1 52 LYS QE 5.000 3.700 6.000 4.038 3.432 4.921 0.268 16 0 "[ . 1 . 2]" 1
183 1 51 MET HB2 1 52 LYS H 5.000 . 5.000 4.083 3.948 4.262 . 0 0 "[ . 1 . 2]" 1
184 1 51 MET HB3 1 52 LYS H 5.000 . 5.000 2.919 2.773 3.074 . 0 0 "[ . 1 . 2]" 1
185 1 55 ASP H 1 55 ASP HA 3.700 2.900 3.700 3.004 2.954 3.058 . 0 0 "[ . 1 . 2]" 1
186 1 54 ALA HA 1 55 ASP H 3.700 3.300 3.700 3.582 3.383 3.681 . 0 0 "[ . 1 . 2]" 1
187 1 53 GLU HA 1 55 ASP H 4.600 4.200 4.600 4.560 4.196 4.773 0.173 2 0 "[ . 1 . 2]" 1
188 1 55 ASP H 1 55 ASP HB3 2.900 . 2.900 2.598 2.295 2.800 . 0 0 "[ . 1 . 2]" 1
189 1 55 ASP H 1 55 ASP HB2 2.900 . 2.900 3.001 2.902 3.113 0.213 2 0 "[ . 1 . 2]" 1
190 1 54 ALA MB 1 55 ASP H 2.900 . 3.900 3.123 2.972 3.327 . 0 0 "[ . 1 . 2]" 1
191 1 55 ASP H 1 62 ILE MD 5.000 3.700 6.000 3.512 3.176 3.912 0.524 13 1 "[ . 1 + . 2]" 1
192 1 37 VAL H 1 37 VAL HA 2.900 . 2.900 2.908 2.325 3.032 0.132 2 0 "[ . 1 . 2]" 1
193 1 37 VAL H 1 37 VAL HB 3.700 2.900 3.700 3.092 2.812 3.744 0.088 8 0 "[ . 1 . 2]" 1
194 1 36 LYS HB3 1 37 VAL H 6.740 . 6.740 3.679 2.861 4.729 . 0 0 "[ . 1 . 2]" 1
195 1 36 LYS QD 1 37 VAL H 3.700 2.900 4.700 3.608 2.058 4.299 0.842 10 2 "[- . + . 2]" 1
196 1 36 LYS QG 1 37 VAL H 5.000 3.700 6.000 4.416 3.082 5.138 0.618 10 1 "[ . + . 2]" 1
197 1 32 PHE H 1 33 ILE H 3.000 2.600 3.000 2.792 2.560 3.016 0.040 1 0 "[ . 1 . 2]" 1
198 1 32 PHE HA 1 33 ILE H 3.700 3.300 3.700 3.583 3.533 3.636 . 0 0 "[ . 1 . 2]" 1
199 1 30 PHE HA 1 33 ILE H 3.600 3.200 3.600 3.579 3.237 3.696 0.096 7 0 "[ . 1 . 2]" 1
200 1 31 LYS QB 1 33 ILE H 5.000 3.700 6.000 5.074 4.760 5.478 . 0 0 "[ . 1 . 2]" 1
201 1 33 ILE H 1 33 ILE HB 2.900 . 2.900 2.211 2.117 2.326 . 0 0 "[ . 1 . 2]" 1
202 1 33 ILE H 1 33 ILE HG13 4.652 . 4.652 4.026 3.079 4.396 . 0 0 "[ . 1 . 2]" 1
203 1 33 ILE H 1 33 ILE MG 3.700 2.900 4.700 2.761 2.270 3.635 0.630 13 1 "[ . 1 + . 2]" 1
204 1 7 GLU H 1 8 GLU H 3.000 2.600 3.000 2.771 2.465 3.266 0.266 7 0 "[ . 1 . 2]" 1
205 1 8 GLU H 1 9 GLU H 3.000 2.600 3.000 2.985 2.585 3.279 0.279 19 0 "[ . 1 . 2]" 1
206 1 8 GLU H 1 8 GLU HA 2.900 . 2.900 2.826 2.239 2.990 0.090 7 0 "[ . 1 . 2]" 1
207 1 7 GLU HA 1 8 GLU H 3.700 3.300 3.700 3.464 3.070 3.649 0.230 19 0 "[ . 1 . 2]" 1
208 1 15 LYS HA 1 16 VAL H 3.700 3.300 3.700 3.682 3.642 3.738 0.038 5 0 "[ . 1 . 2]" 1
209 1 16 VAL H 1 16 VAL HA 2.900 . 2.900 2.956 2.947 2.968 0.068 15 0 "[ . 1 . 2]" 1
210 1 14 PHE HA 1 16 VAL H 4.600 4.200 4.600 4.442 4.261 4.593 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL H 1 16 VAL HB 2.900 . 2.900 2.527 2.378 3.035 0.135 1 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 16 VAL H 5.000 3.700 6.000 4.835 4.774 4.914 . 0 0 "[ . 1 . 2]" 1
213 1 16 VAL H 1 16 VAL QG 2.900 2.900 3.900 2.724 2.219 2.829 0.681 1 1 "[+ . 1 . 2]" 1
214 1 30 PHE H 1 31 LYS H 3.000 2.600 3.000 2.710 2.625 2.891 . 0 0 "[ . 1 . 2]" 1
215 1 30 PHE QD 1 31 LYS H 5.000 3.700 7.000 3.923 3.497 4.638 0.203 14 0 "[ . 1 . 2]" 1
216 1 30 PHE HA 1 31 LYS H 3.700 3.300 3.700 3.609 3.564 3.664 . 0 0 "[ . 1 . 2]" 1
217 1 70 LEU HA 1 71 ILE H 3.700 3.300 3.700 3.671 3.547 3.739 0.039 8 0 "[ . 1 . 2]" 1
218 1 68 MET HA 1 71 ILE H 3.600 3.200 3.600 3.439 3.180 3.637 0.037 7 0 "[ . 1 . 2]" 1
219 1 71 ILE H 1 71 ILE HA 2.900 . 2.900 2.971 2.920 3.032 0.132 3 0 "[ . 1 . 2]" 1
220 1 68 MET HB2 1 71 ILE H 5.468 . 5.468 5.706 5.000 6.265 0.797 8 9 "[ *. *+*-** *. * 2]" 1
221 1 71 ILE H 1 71 ILE HB 2.900 . 2.900 2.615 2.277 2.984 0.084 13 0 "[ . 1 . 2]" 1
222 1 70 LEU QB 1 71 ILE H 3.700 2.900 4.700 2.695 2.208 3.027 0.692 19 1 "[ . 1 . +2]" 1
223 1 70 LEU HG 1 71 ILE H 5.000 3.700 5.000 4.476 3.647 5.097 0.097 13 0 "[ . 1 . 2]" 1
224 1 71 ILE H 1 71 ILE HG13 3.700 . 3.700 2.590 2.067 3.727 0.027 7 0 "[ . 1 . 2]" 1
225 1 71 ILE H 1 71 ILE HG12 3.700 . 3.700 3.555 2.151 3.935 0.235 8 0 "[ . 1 . 2]" 1
226 1 71 ILE H 1 71 ILE MG 3.700 2.900 4.700 3.940 3.768 4.026 . 0 0 "[ . 1 . 2]" 1
227 1 71 ILE H 1 71 ILE MD 3.700 2.900 4.700 3.697 2.925 3.965 . 0 0 "[ . 1 . 2]" 1
228 1 67 PHE H 1 69 ASP H 4.400 4.000 4.400 4.319 4.062 4.453 0.053 16 0 "[ . 1 . 2]" 1
229 1 69 ASP H 1 70 LEU H 3.000 2.600 3.000 2.557 2.434 2.834 0.166 18 0 "[ . 1 . 2]" 1
230 1 66 GLU HA 1 69 ASP H 3.600 3.200 3.600 3.590 3.303 3.763 0.163 2 0 "[ . 1 . 2]" 1
231 1 68 MET HA 1 69 ASP H 3.700 3.300 3.700 3.676 3.521 3.765 0.065 14 0 "[ . 1 . 2]" 1
232 1 69 ASP H 1 69 ASP HB3 2.900 . 2.900 2.938 2.553 3.233 0.333 13 0 "[ . 1 . 2]" 1
233 1 69 ASP H 1 69 ASP HB2 2.900 . 2.900 2.353 2.109 2.572 . 0 0 "[ . 1 . 2]" 1
234 1 68 MET HB3 1 69 ASP H 5.000 3.700 5.000 3.925 3.369 4.460 0.331 9 0 "[ . 1 . 2]" 1
235 1 68 MET HB2 1 69 ASP H 3.700 . 3.700 3.553 2.699 4.518 0.818 3 1 "[ + . 1 . 2]" 1
236 1 43 THR H 1 46 GLU H 5.000 3.700 5.000 4.855 3.792 5.172 0.172 18 0 "[ . 1 . 2]" 1
237 1 44 ASP H 1 46 GLU H 4.400 4.000 4.400 4.481 4.369 4.522 0.122 6 0 "[ . 1 . 2]" 1
238 1 46 GLU H 1 47 VAL H 3.000 2.600 3.000 2.754 2.581 2.981 0.019 9 0 "[ . 1 . 2]" 1
239 1 45 ALA H 1 46 GLU H 3.000 2.600 3.000 2.903 2.485 3.047 0.115 7 0 "[ . 1 . 2]" 1
240 1 43 THR HB 1 46 GLU H 3.700 2.900 3.700 3.359 2.792 3.718 0.108 7 0 "[ . 1 . 2]" 1
241 1 45 ALA HA 1 46 GLU H 3.700 3.300 3.700 3.692 3.630 3.719 0.019 19 0 "[ . 1 . 2]" 1
242 1 46 GLU H 1 46 GLU HA 2.900 . 2.900 2.916 2.873 2.976 0.076 9 0 "[ . 1 . 2]" 1
243 1 46 GLU H 1 46 GLU HG3 2.900 . 2.900 2.919 2.212 3.159 0.259 12 0 "[ . 1 . 2]" 1
244 1 46 GLU H 1 46 GLU HG2 2.900 . 2.900 2.539 2.004 3.036 0.136 19 0 "[ . 1 . 2]" 1
245 1 46 GLU H 1 46 GLU QB 3.700 2.900 4.700 2.542 2.409 2.746 0.491 7 0 "[ . 1 . 2]" 1
246 1 45 ALA MB 1 46 GLU H 2.900 . 3.900 2.743 2.518 2.903 . 0 0 "[ . 1 . 2]" 1
247 1 46 GLU H 1 47 VAL QG 5.000 3.700 6.000 4.131 3.770 4.594 . 0 0 "[ . 1 . 2]" 1
248 1 39 GLU H 1 39 GLU HA 2.900 . 2.900 2.792 2.311 3.020 0.120 17 0 "[ . 1 . 2]" 1
249 1 38 GLY HA2 1 39 GLU H 4.648 . 4.648 2.931 2.100 3.586 . 0 0 "[ . 1 . 2]" 1
250 1 39 GLU H 1 39 GLU HG3 3.700 2.900 3.700 3.290 2.775 3.787 0.125 12 0 "[ . 1 . 2]" 1
251 1 39 GLU H 1 39 GLU HG2 3.700 2.900 3.700 3.361 2.785 3.842 0.142 6 0 "[ . 1 . 2]" 1
252 1 16 VAL H 1 18 ASP H 5.000 3.700 5.000 4.298 4.166 4.447 . 0 0 "[ . 1 . 2]" 1
253 1 18 ASP H 1 19 ALA H 5.000 3.400 5.000 4.235 3.323 4.649 0.077 15 0 "[ . 1 . 2]" 1
254 1 15 LYS HA 1 18 ASP H 3.700 2.900 3.700 3.359 3.013 3.660 . 0 0 "[ . 1 . 2]" 1
255 1 18 ASP H 1 18 ASP HA 2.900 . 2.900 2.899 2.763 3.002 0.102 18 0 "[ . 1 . 2]" 1
256 1 17 PHE HA 1 18 ASP H 3.700 2.900 3.700 3.545 3.477 3.600 . 0 0 "[ . 1 . 2]" 1
257 1 18 ASP H 1 18 ASP HB3 3.700 . 3.700 2.119 1.960 2.332 . 0 0 "[ . 1 . 2]" 1
258 1 18 ASP H 1 18 ASP HB2 3.700 . 3.700 2.818 2.490 3.222 . 0 0 "[ . 1 . 2]" 1
259 1 17 PHE QB 1 18 ASP H 5.000 2.900 5.000 2.856 2.786 3.044 0.114 19 0 "[ . 1 . 2]" 1
260 1 18 ASP H 1 25 ILE HG13 5.000 2.900 5.000 4.227 3.985 4.580 . 0 0 "[ . 1 . 2]" 1
261 1 18 ASP H 1 25 ILE MD 5.000 3.700 6.000 3.766 3.336 4.057 0.364 15 0 "[ . 1 . 2]" 1
262 1 48 GLU H 1 49 GLU H 3.000 2.600 3.000 2.792 2.570 2.989 0.030 2 0 "[ . 1 . 2]" 1
263 1 47 VAL HA 1 49 GLU H 4.600 4.200 4.600 4.615 4.494 4.674 0.074 2 0 "[ . 1 . 2]" 1
264 1 49 GLU H 1 50 ALA H 3.000 2.600 3.000 2.846 2.700 2.987 . 0 0 "[ . 1 . 2]" 1
265 1 49 GLU H 1 49 GLU HA 2.900 . 2.900 2.939 2.918 2.959 0.059 8 0 "[ . 1 . 2]" 1
266 1 48 GLU HA 1 49 GLU H 3.700 3.300 3.700 3.615 3.556 3.663 . 0 0 "[ . 1 . 2]" 1
267 1 49 GLU H 1 49 GLU QB 2.900 . 3.900 2.418 2.239 2.626 . 0 0 "[ . 1 . 2]" 1
268 1 33 ILE HA 1 36 LYS H 5.000 3.700 5.000 4.923 4.093 5.182 0.182 6 0 "[ . 1 . 2]" 1
269 1 36 LYS H 1 36 LYS HA 3.700 2.900 3.700 2.803 2.591 3.044 0.309 2 0 "[ . 1 . 2]" 1
270 1 35 GLN HA 1 36 LYS H 2.900 . 2.900 2.404 1.865 3.214 0.314 7 0 "[ . 1 . 2]" 1
271 1 35 GLN QB 1 36 LYS H 3.700 2.900 4.700 3.573 2.427 4.030 0.473 4 0 "[ . 1 . 2]" 1
272 1 36 LYS H 1 36 LYS QD 2.900 . 3.900 2.502 1.516 3.586 0.284 10 0 "[ . 1 . 2]" 1
273 1 36 LYS H 1 36 LYS QG 3.700 2.900 4.700 2.804 2.148 3.761 0.752 1 4 "[+ . 1 * . -*]" 1
274 1 14 PHE H 1 16 VAL H 4.400 4.000 4.400 4.200 3.988 4.456 0.056 1 0 "[ . 1 . 2]" 1
275 1 14 PHE H 1 14 PHE QD 3.700 2.900 5.700 4.437 4.353 4.522 . 0 0 "[ . 1 . 2]" 1
276 1 13 ALA HA 1 14 PHE H 3.700 3.300 3.700 3.629 3.540 3.704 0.004 16 0 "[ . 1 . 2]" 1
277 1 14 PHE H 1 14 PHE HA 2.900 . 2.900 2.976 2.922 3.012 0.112 20 0 "[ . 1 . 2]" 1
278 1 14 PHE H 1 14 PHE HB3 2.900 . 2.900 2.810 2.630 2.992 0.092 2 0 "[ . 1 . 2]" 1
279 1 14 PHE H 1 14 PHE HB2 2.900 . 2.900 2.615 2.469 2.757 . 0 0 "[ . 1 . 2]" 1
280 1 12 ARG H 1 14 PHE H 4.400 4.000 4.400 4.530 4.439 4.599 0.199 15 0 "[ . 1 . 2]" 1
281 1 13 ALA MB 1 14 PHE H 2.900 . 3.900 2.560 2.377 2.661 . 0 0 "[ . 1 . 2]" 1
282 1 10 ILE MG 1 14 PHE H 5.000 3.700 6.000 3.782 3.313 4.751 0.387 19 0 "[ . 1 . 2]" 1
283 1 10 ILE HG12 1 14 PHE H 6.640 2.060 6.640 6.724 5.551 7.372 0.732 7 4 "[ * . + 1 . * -]" 1
284 1 59 ASN H 1 59 ASN HA 2.900 . 2.900 2.773 2.281 2.937 0.037 13 0 "[ . 1 . 2]" 1
285 1 58 GLY HA3 1 59 ASN H 4.700 3.300 4.700 3.419 3.284 3.745 0.016 18 0 "[ . 1 . 2]" 1
286 1 58 GLY HA2 1 59 ASN H 4.700 3.300 4.700 3.346 3.142 3.467 0.158 2 0 "[ . 1 . 2]" 1
287 1 59 ASN H 1 59 ASN HB3 3.700 . 3.700 2.628 2.040 3.432 . 0 0 "[ . 1 . 2]" 1
288 1 59 ASN H 1 59 ASN HB2 3.700 . 3.700 3.217 2.514 3.916 0.216 10 0 "[ . 1 . 2]" 1
289 1 22 ASP H 1 22 ASP HA 2.900 . 2.900 2.771 1.500 3.027 0.300 13 0 "[ . 1 . 2]" 1
290 1 20 ASN HA 1 22 ASP H 5.000 3.700 5.000 4.636 3.445 5.061 0.255 13 0 "[ . 1 . 2]" 1
291 1 22 ASP H 1 22 ASP HB3 5.000 2.900 5.000 3.129 2.844 4.130 0.056 5 0 "[ . 1 . 2]" 1
292 1 22 ASP H 1 22 ASP HB2 5.000 2.900 5.000 3.807 2.787 4.219 0.113 13 0 "[ . 1 . 2]" 1
293 1 20 ASN HD22 1 22 ASP H 5.000 3.700 5.000 4.534 3.730 5.032 0.032 13 0 "[ . 1 . 2]" 1
294 1 40 GLU H 1 40 GLU HA 2.900 . 2.900 2.902 2.358 3.025 0.125 16 0 "[ . 1 . 2]" 1
295 1 39 GLU HA 1 40 GLU H 2.900 . 2.900 2.407 2.093 2.980 0.080 11 0 "[ . 1 . 2]" 1
296 1 38 GLY HA2 1 40 GLU H 6.748 . 6.748 5.861 3.542 7.066 0.318 15 0 "[ . 1 . 2]" 1
297 1 11 LEU H 1 12 ARG H 3.000 2.600 3.000 2.858 2.592 3.020 0.020 18 0 "[ . 1 . 2]" 1
298 1 11 LEU HA 1 12 ARG H 3.700 3.300 3.700 3.627 3.564 3.703 0.003 3 0 "[ . 1 . 2]" 1
299 1 12 ARG H 1 12 ARG HA 2.900 . 2.900 2.955 2.930 2.998 0.098 3 0 "[ . 1 . 2]" 1
300 1 11 LEU QD 1 12 ARG H 5.000 3.700 6.000 2.991 2.520 4.051 1.180 19 17 "[** -.*** *********+*]" 1
301 1 69 ASP HA 1 72 LYS H 3.600 3.200 3.600 3.505 3.177 3.710 0.110 11 0 "[ . 1 . 2]" 1
302 1 72 LYS H 1 72 LYS HA 2.900 . 2.900 2.908 2.240 3.032 0.132 4 0 "[ . 1 . 2]" 1
303 1 71 ILE HA 1 72 LYS H 3.700 3.300 3.700 3.568 3.155 3.664 0.145 17 0 "[ . 1 . 2]" 1
304 1 71 ILE MD 1 72 LYS H 5.000 3.700 6.000 4.849 4.368 5.119 . 0 0 "[ . 1 . 2]" 1
305 1 54 ALA H 1 55 ASP H 3.000 2.600 3.000 2.916 2.783 3.038 0.038 4 0 "[ . 1 . 2]" 1
306 1 54 ALA H 1 54 ALA HA 2.900 . 2.900 2.926 2.909 2.956 0.056 20 0 "[ . 1 . 2]" 1
307 1 53 GLU HA 1 54 ALA H 3.700 3.300 3.700 3.619 3.593 3.656 . 0 0 "[ . 1 . 2]" 1
308 1 51 MET HA 1 54 ALA H 3.600 3.200 3.600 3.196 3.098 3.346 0.102 2 0 "[ . 1 . 2]" 1
309 1 53 GLU HB2 1 54 ALA H 4.636 . 4.636 3.668 2.487 4.215 . 0 0 "[ . 1 . 2]" 1
310 1 54 ALA H 1 54 ALA MB 2.900 . 3.900 2.327 2.289 2.404 . 0 0 "[ . 1 . 2]" 1
311 1 54 ALA H 1 62 ILE MD 5.000 3.700 6.000 4.406 4.071 4.852 . 0 0 "[ . 1 . 2]" 1
312 1 10 ILE H 1 11 LEU H 3.000 2.600 3.000 2.828 2.498 3.039 0.102 5 0 "[ . 1 . 2]" 1
313 1 11 LEU H 1 11 LEU HA 2.900 . 2.900 2.915 2.798 3.025 0.125 13 0 "[ . 1 . 2]" 1
314 1 10 ILE HA 1 11 LEU H 3.700 3.300 3.700 3.674 3.580 3.735 0.035 19 0 "[ . 1 . 2]" 1
315 1 10 ILE HB 1 11 LEU H 2.900 . 2.900 2.632 2.248 3.077 0.177 18 0 "[ . 1 . 2]" 1
316 1 10 ILE MD 1 11 LEU H 5.000 3.700 6.000 4.068 2.992 5.040 0.708 6 1 "[ .+ 1 . 2]" 1
317 1 9 GLU H 1 10 ILE H 3.000 2.600 3.000 2.742 2.522 3.167 0.167 3 0 "[ . 1 . 2]" 1
318 1 9 GLU H 1 9 GLU HA 2.900 . 2.900 2.986 2.901 3.111 0.211 9 0 "[ . 1 . 2]" 1
319 1 8 GLU HA 1 9 GLU H 3.700 3.300 3.700 3.513 3.125 3.618 0.175 19 0 "[ . 1 . 2]" 1
320 1 7 GLU HA 1 9 GLU H 4.600 4.200 4.600 4.468 4.030 4.732 0.170 3 0 "[ . 1 . 2]" 1
321 1 50 ALA H 1 51 MET H 3.000 2.600 3.000 2.894 2.746 3.003 0.003 9 0 "[ . 1 . 2]" 1
322 1 50 ALA HA 1 51 MET H 3.700 3.300 3.700 3.624 3.564 3.682 . 0 0 "[ . 1 . 2]" 1
323 1 49 GLU HA 1 51 MET H 4.600 4.200 4.600 4.640 4.601 4.687 0.087 9 0 "[ . 1 . 2]" 1
324 1 48 GLU HA 1 51 MET H 3.600 3.200 3.600 3.668 3.604 3.756 0.156 16 0 "[ . 1 . 2]" 1
325 1 47 VAL HA 1 51 MET H 5.000 3.700 5.000 3.940 3.697 4.153 0.003 11 0 "[ . 1 . 2]" 1
326 1 51 MET H 1 51 MET HA 3.700 2.900 3.700 3.019 2.987 3.053 . 0 0 "[ . 1 . 2]" 1
327 1 47 VAL H 1 48 GLU H 3.000 2.600 3.000 2.709 2.571 2.788 0.029 5 0 "[ . 1 . 2]" 1
328 1 45 ALA HA 1 48 GLU H 3.600 3.200 3.600 3.644 3.532 3.717 0.117 8 0 "[ . 1 . 2]" 1
329 1 48 GLU H 1 48 GLU HA 3.700 2.900 3.700 2.938 2.892 2.991 0.008 5 0 "[ . 1 . 2]" 1
330 1 47 VAL HA 1 48 GLU H 3.700 3.300 3.700 3.654 3.598 3.702 0.002 10 0 "[ . 1 . 2]" 1
331 1 47 VAL QG 1 48 GLU H 5.000 3.700 6.000 3.252 2.726 3.503 0.974 2 4 "[ + .- 1* .* 2]" 1
332 1 44 ASP H 1 45 ALA H 3.000 2.600 3.000 2.612 2.448 3.186 0.186 7 0 "[ . 1 . 2]" 1
333 1 43 THR HB 1 44 ASP H 2.900 . 2.900 2.910 2.367 3.164 0.264 7 0 "[ . 1 . 2]" 1
334 1 43 THR HA 1 44 ASP H 2.900 . 2.900 2.143 1.975 3.024 0.124 7 0 "[ . 1 . 2]" 1
335 1 44 ASP H 1 44 ASP HA 2.900 . 2.900 2.931 2.306 3.026 0.126 11 0 "[ . 1 . 2]" 1
336 1 44 ASP H 1 44 ASP HB3 3.700 . 3.700 3.326 2.517 3.935 0.235 7 0 "[ . 1 . 2]" 1
337 1 44 ASP H 1 44 ASP HB2 3.700 . 3.700 2.849 2.314 3.728 0.028 2 0 "[ . 1 . 2]" 1
338 1 43 THR MG 1 44 ASP H 3.700 2.900 4.700 3.782 3.610 4.122 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLU H 1 30 PHE H 3.000 2.600 3.000 2.827 2.628 2.985 . 0 0 "[ . 1 . 2]" 1
340 1 29 GLU H 1 29 GLU HA 2.900 . 2.900 2.914 2.840 2.956 0.056 20 0 "[ . 1 . 2]" 1
341 1 27 PHE H 1 29 GLU H 4.400 4.000 4.400 4.360 4.112 4.505 0.105 19 0 "[ . 1 . 2]" 1
342 1 28 ASP HA 1 29 GLU H 3.700 3.300 3.700 3.630 3.521 3.712 0.012 1 0 "[ . 1 . 2]" 1
343 1 28 ASP HB2 1 29 GLU H 5.424 . 5.424 2.978 2.811 3.333 . 0 0 "[ . 1 . 2]" 1
344 1 25 ILE MG 1 29 GLU H 5.000 3.700 6.000 4.790 4.234 4.954 . 0 0 "[ . 1 . 2]" 1
345 1 43 THR HB 1 45 ALA H 2.900 . 2.900 2.975 2.607 3.196 0.296 7 0 "[ . 1 . 2]" 1
346 1 44 ASP HA 1 45 ALA H 3.700 3.300 3.700 3.453 3.212 3.535 0.088 7 0 "[ . 1 . 2]" 1
347 1 45 ALA H 1 45 ALA HA 2.900 . 2.900 2.919 2.871 3.022 0.122 7 0 "[ . 1 . 2]" 1
348 1 44 ASP HB3 1 45 ALA H 3.700 2.900 3.700 3.737 3.045 3.906 0.206 2 0 "[ . 1 . 2]" 1
349 1 44 ASP HB2 1 45 ALA H 3.700 2.900 3.700 3.347 2.876 3.797 0.097 2 0 "[ . 1 . 2]" 1
350 1 45 ALA H 1 45 ALA MB 2.900 . 3.900 2.303 2.246 2.418 . 0 0 "[ . 1 . 2]" 1
351 1 9 GLU HA 1 10 ILE H 3.700 3.100 3.700 3.556 3.359 3.719 0.019 16 0 "[ . 1 . 2]" 1
352 1 10 ILE H 1 10 ILE HA 2.900 . 2.900 2.936 2.857 3.005 0.105 5 0 "[ . 1 . 2]" 1
353 1 9 GLU HB3 1 10 ILE H 5.442 . 5.442 3.038 2.128 4.173 . 0 0 "[ . 1 . 2]" 1
354 1 10 ILE H 1 10 ILE HB 2.900 . 2.900 2.627 2.072 2.973 0.073 16 0 "[ . 1 . 2]" 1
355 1 10 ILE H 1 10 ILE MG 3.700 2.900 4.700 3.925 3.487 4.127 . 0 0 "[ . 1 . 2]" 1
356 1 10 ILE H 1 10 ILE HG13 5.000 2.900 5.000 3.486 2.760 4.419 0.140 2 0 "[ . 1 . 2]" 1
357 1 10 ILE H 1 10 ILE HG12 5.000 2.900 5.000 3.949 2.671 4.408 0.229 5 0 "[ . 1 . 2]" 1
358 1 42 LEU H 1 42 LEU HA 3.700 2.900 3.700 2.882 2.799 3.052 0.101 10 0 "[ . 1 . 2]" 1
359 1 42 LEU H 1 42 LEU MD2 3.700 2.900 4.700 3.998 2.527 4.356 0.373 13 0 "[ . 1 . 2]" 1
360 1 44 ASP HA 1 47 VAL H 3.600 3.200 3.600 3.610 3.221 3.752 0.152 9 0 "[ . 1 . 2]" 1
361 1 45 ALA HA 1 47 VAL H 4.600 4.200 4.600 4.560 4.189 4.638 0.038 5 0 "[ . 1 . 2]" 1
362 1 46 GLU HA 1 47 VAL H 3.700 3.300 3.700 3.576 3.492 3.638 . 0 0 "[ . 1 . 2]" 1
363 1 47 VAL H 1 47 VAL HA 2.900 . 2.900 2.939 2.924 2.955 0.055 15 0 "[ . 1 . 2]" 1
364 1 47 VAL H 1 47 VAL HB 2.900 . 2.900 2.691 2.362 2.991 0.091 10 0 "[ . 1 . 2]" 1
365 1 46 GLU QB 1 47 VAL H 3.700 2.900 4.700 2.747 2.369 3.616 0.531 11 1 "[ . 1+ . 2]" 1
366 1 45 ALA MB 1 47 VAL H 5.000 3.700 6.000 4.745 4.524 4.863 . 0 0 "[ . 1 . 2]" 1
367 1 50 ALA H 1 50 ALA HA 2.900 . 2.900 2.916 2.903 2.935 0.035 10 0 "[ . 1 . 2]" 1
368 1 49 GLU HA 1 50 ALA H 3.700 3.300 3.700 3.653 3.581 3.705 0.005 8 0 "[ . 1 . 2]" 1
369 1 47 VAL HA 1 50 ALA H 3.600 3.200 3.600 3.664 3.569 3.714 0.114 10 0 "[ . 1 . 2]" 1
370 1 49 GLU QB 1 50 ALA H 2.900 . 3.900 2.691 2.494 2.869 . 0 0 "[ . 1 . 2]" 1
371 1 13 ALA H 1 14 PHE H 3.000 2.600 3.000 2.939 2.667 3.075 0.075 5 0 "[ . 1 . 2]" 1
372 1 12 ARG HA 1 13 ALA H 3.700 3.300 3.700 3.670 3.585 3.760 0.060 13 0 "[ . 1 . 2]" 1
373 1 10 ILE HA 1 13 ALA H 3.600 3.200 3.600 3.629 3.268 3.837 0.237 13 0 "[ . 1 . 2]" 1
374 1 13 ALA H 1 13 ALA HA 2.900 . 2.900 2.924 2.873 2.955 0.055 13 0 "[ . 1 . 2]" 1
375 1 30 PHE H 1 30 PHE QD 5.000 3.700 7.000 4.206 3.430 4.322 0.270 18 0 "[ . 1 . 2]" 1
376 1 27 PHE HA 1 30 PHE H 3.600 3.200 3.600 3.595 3.236 3.702 0.102 17 0 "[ . 1 . 2]" 1
377 1 29 GLU HA 1 30 PHE H 3.700 3.300 3.700 3.592 3.505 3.668 . 0 0 "[ . 1 . 2]" 1
378 1 30 PHE H 1 30 PHE HA 3.700 2.900 3.700 2.933 2.894 2.974 0.006 15 0 "[ . 1 . 2]" 1
379 1 29 GLU QB 1 30 PHE H 3.700 2.900 4.700 2.855 2.264 3.788 0.636 16 3 "[ -. 1 * .+ 2]" 1
380 1 29 GLU HG2 1 30 PHE H 6.729 . 6.729 4.530 2.579 5.228 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE MG 1 30 PHE H 3.700 2.900 4.700 3.406 3.109 3.680 . 0 0 "[ . 1 . 2]" 1
382 1 73 LYS HA 1 74 SER H 3.700 2.900 3.700 3.440 3.071 3.661 . 0 0 "[ . 1 . 2]" 1
383 1 74 SER H 1 74 SER HA 3.700 2.900 3.700 2.813 2.474 3.125 0.426 17 0 "[ . 1 . 2]" 1
384 1 73 LYS HB3 1 74 SER H 5.458 . 5.458 3.041 1.931 4.411 . 0 0 "[ . 1 . 2]" 1
385 1 69 ASP HA 1 70 LEU H 3.700 3.300 3.700 3.572 3.456 3.643 . 0 0 "[ . 1 . 2]" 1
386 1 67 PHE HA 1 70 LEU H 3.600 3.200 3.600 3.515 3.153 3.739 0.139 3 0 "[ . 1 . 2]" 1
387 1 70 LEU H 1 70 LEU HA 2.900 . 2.900 2.889 2.807 2.966 0.066 17 0 "[ . 1 . 2]" 1
388 1 68 MET HA 1 70 LEU H 4.600 4.200 4.600 4.404 4.211 4.618 0.018 20 0 "[ . 1 . 2]" 1
389 1 69 ASP HB3 1 70 LEU H 3.700 2.900 3.700 2.984 2.759 3.551 0.141 11 0 "[ . 1 . 2]" 1
390 1 69 ASP HB2 1 70 LEU H 3.700 2.900 3.700 3.731 3.408 3.843 0.143 5 0 "[ . 1 . 2]" 1
391 1 68 MET HB2 1 70 LEU H 5.468 . 5.468 5.544 5.089 6.024 0.556 3 1 "[ + . 1 . 2]" 1
392 1 70 LEU H 1 70 LEU QB 2.900 . 3.900 2.065 1.675 2.374 0.125 10 0 "[ . 1 . 2]" 1
393 1 70 LEU H 1 70 LEU HG 5.000 3.700 5.000 4.335 3.734 4.606 . 0 0 "[ . 1 . 2]" 1
394 1 70 LEU H 1 70 LEU QD . 3.700 4.700 3.493 2.675 3.781 1.025 12 5 "[ * -* +* . 2]" 1
395 1 7 GLU H 1 7 GLU HA 2.900 . 2.900 2.868 2.183 3.033 0.133 18 0 "[ . 1 . 2]" 1
396 1 67 PHE H 1 67 PHE QD 5.000 3.700 7.000 4.218 4.055 4.378 . 0 0 "[ . 1 . 2]" 1
397 1 67 PHE H 1 67 PHE HA 2.900 . 2.900 2.911 2.867 2.953 0.053 14 0 "[ . 1 . 2]" 1
398 1 66 GLU HA 1 67 PHE H 3.700 3.300 3.700 3.610 3.497 3.689 . 0 0 "[ . 1 . 2]" 1
399 1 67 PHE H 1 67 PHE HB3 2.900 . 2.900 2.357 2.212 2.638 . 0 0 "[ . 1 . 2]" 1
400 1 67 PHE H 1 67 PHE HB2 2.900 . 2.900 2.715 2.416 2.913 0.013 17 0 "[ . 1 . 2]" 1
401 1 66 GLU HG3 1 67 PHE H 6.747 . 6.747 4.869 4.496 5.443 . 0 0 "[ . 1 . 2]" 1
402 1 65 PRO HB3 1 67 PHE H 6.792 . 6.792 6.539 6.264 6.812 0.020 10 0 "[ . 1 . 2]" 1
403 1 62 ILE MG 1 67 PHE H 3.700 2.900 4.700 2.805 2.473 3.108 0.427 19 0 "[ . 1 . 2]" 1
404 1 25 ILE H 1 62 ILE H 3.700 2.900 3.700 3.127 2.859 3.496 0.041 6 0 "[ . 1 . 2]" 1
405 1 14 PHE HZ 1 25 ILE H 2.900 . 2.900 2.993 2.911 3.046 0.146 18 0 "[ . 1 . 2]" 1
406 1 14 PHE QE 1 25 ILE H 3.700 2.900 5.700 3.987 3.407 4.169 . 0 0 "[ . 1 . 2]" 1
407 1 24 VAL HA 1 25 ILE H 2.900 . 2.900 2.036 1.933 2.158 . 0 0 "[ . 1 . 2]" 1
408 1 25 ILE H 1 25 ILE HA 2.900 . 2.900 3.048 3.004 3.070 0.170 3 0 "[ . 1 . 2]" 1
409 1 25 ILE H 1 62 ILE HB 3.700 2.900 3.700 3.432 3.260 3.572 . 0 0 "[ . 1 . 2]" 1
410 1 25 ILE H 1 25 ILE HB 2.900 . 2.900 2.719 2.503 2.914 0.014 18 0 "[ . 1 . 2]" 1
411 1 24 VAL HB 1 25 ILE H 3.700 . 3.700 3.724 2.898 4.009 0.309 18 0 "[ . 1 . 2]" 1
412 1 25 ILE H 1 25 ILE MG 5.000 3.700 6.000 4.027 3.900 4.123 . 0 0 "[ . 1 . 2]" 1
413 1 24 VAL QG 1 25 ILE H 3.700 2.900 4.700 2.458 2.045 3.317 0.855 5 11 "[* *+*** 1* **- *2]" 1
414 1 25 ILE H 1 25 ILE HG12 6.796 . 6.796 4.229 3.923 4.431 . 0 0 "[ . 1 . 2]" 1
415 1 25 ILE H 1 25 ILE MD 5.000 3.700 6.000 3.958 3.701 4.260 . 0 0 "[ . 1 . 2]" 1
416 1 25 ILE H 1 62 ILE MG 5.000 3.700 6.000 4.622 4.487 4.801 . 0 0 "[ . 1 . 2]" 1
417 1 62 ILE H 1 62 ILE HA 3.700 2.900 3.700 3.022 2.973 3.061 . 0 0 "[ . 1 . 2]" 1
418 1 61 VAL HA 1 62 ILE H 2.900 . 2.900 2.107 1.922 2.331 . 0 0 "[ . 1 . 2]" 1
419 1 62 ILE H 1 62 ILE HB 2.900 . 2.900 3.092 2.959 3.233 0.333 17 0 "[ . 1 . 2]" 1
420 1 25 ILE HB 1 62 ILE H 3.700 2.900 3.700 3.386 3.055 3.681 . 0 0 "[ . 1 . 2]" 1
421 1 61 VAL HB 1 62 ILE H 2.900 . 2.900 2.941 2.679 3.172 0.272 14 0 "[ . 1 . 2]" 1
422 1 62 ILE H 1 62 ILE HG13 3.700 2.900 3.700 2.806 2.713 2.953 0.187 7 0 "[ . 1 . 2]" 1
423 1 62 ILE H 1 62 ILE HG12 3.700 2.900 3.700 3.420 2.981 3.669 . 0 0 "[ . 1 . 2]" 1
424 1 61 VAL QG 1 62 ILE H 3.700 2.900 4.700 2.732 1.927 3.425 0.973 13 9 "[ *- .* * * *+*. * 2]" 1
425 1 62 ILE H 1 62 ILE MD 5.000 3.700 6.000 4.274 4.154 4.432 . 0 0 "[ . 1 . 2]" 1
426 1 56 GLU H 1 57 ASP H 3.700 2.900 3.700 2.980 2.815 3.211 0.085 11 0 "[ . 1 . 2]" 1
427 1 55 ASP HA 1 56 GLU H 2.900 . 2.900 2.283 2.045 2.879 . 0 0 "[ . 1 . 2]" 1
428 1 54 ALA HA 1 56 GLU H 5.000 3.700 5.000 4.906 4.544 5.186 0.186 2 0 "[ . 1 . 2]" 1
429 1 56 GLU H 1 56 GLU HA 2.900 . 2.900 2.915 2.830 2.969 0.069 12 0 "[ . 1 . 2]" 1
430 1 55 ASP HB3 1 56 GLU H 5.000 . 5.000 4.464 4.322 4.611 . 0 0 "[ . 1 . 2]" 1
431 1 56 GLU H 1 56 GLU HG3 2.900 . 2.900 2.512 2.069 2.900 0.000 15 0 "[ . 1 . 2]" 1
432 1 56 GLU H 1 56 GLU HG2 2.900 . 2.900 2.955 2.853 3.024 0.124 18 0 "[ . 1 . 2]" 1
433 1 55 ASP HB2 1 56 GLU H 5.000 . 5.000 4.479 4.277 4.779 . 0 0 "[ . 1 . 2]" 1
434 1 56 GLU H 1 56 GLU QB 2.900 . 3.900 2.595 2.388 2.942 . 0 0 "[ . 1 . 2]" 1
435 1 56 GLU H 1 62 ILE MD 5.000 3.700 6.000 4.800 4.747 4.879 . 0 0 "[ . 1 . 2]" 1
436 1 26 ASP H 1 29 GLU H 5.000 3.700 5.000 4.233 3.671 4.530 0.029 15 0 "[ . 1 . 2]" 1
437 1 25 ILE HA 1 26 ASP H 2.900 . 2.900 2.191 2.107 2.365 . 0 0 "[ . 1 . 2]" 1
438 1 26 ASP H 1 26 ASP HA 2.900 . 2.900 3.029 3.008 3.047 0.147 7 0 "[ . 1 . 2]" 1
439 1 25 ILE MG 1 26 ASP H 3.700 2.900 4.700 2.506 2.361 2.697 0.539 19 3 "[ * . 1 . -+2]" 1
440 1 25 ILE MD 1 26 ASP H 5.000 3.700 6.000 5.052 4.989 5.128 . 0 0 "[ . 1 . 2]" 1
441 1 62 ILE H 1 63 ASP H 5.000 3.700 5.000 4.466 4.340 4.589 . 0 0 "[ . 1 . 2]" 1
442 1 62 ILE HA 1 63 ASP H 2.900 . 2.900 2.151 2.042 2.229 . 0 0 "[ . 1 . 2]" 1
443 1 63 ASP H 1 63 ASP HA 2.900 . 2.900 3.007 2.995 3.016 0.116 15 0 "[ . 1 . 2]" 1
444 1 63 ASP H 1 63 ASP HB3 3.700 . 3.700 3.132 3.033 3.221 . 0 0 "[ . 1 . 2]" 1
445 1 62 ILE HB 1 63 ASP H 3.700 2.900 3.700 3.755 3.661 3.808 0.108 15 0 "[ . 1 . 2]" 1
446 1 62 ILE MD 1 63 ASP H 5.000 3.700 6.000 5.003 4.945 5.061 . 0 0 "[ . 1 . 2]" 1
447 1 18 ASP HA 1 19 ALA H 3.700 . 3.700 2.367 1.976 3.532 . 0 0 "[ . 1 . 2]" 1
448 1 19 ALA H 1 19 ALA HA 2.900 . 2.900 2.838 2.266 2.996 0.096 1 0 "[ . 1 . 2]" 1
449 1 18 ASP HB3 1 19 ALA H 5.000 2.900 5.000 4.541 3.380 4.803 . 0 0 "[ . 1 . 2]" 1
450 1 18 ASP HB2 1 19 ALA H 5.000 2.900 5.000 4.334 3.926 4.819 . 0 0 "[ . 1 . 2]" 1
451 1 19 ALA H 1 19 ALA MB 3.700 2.900 4.700 2.393 2.287 3.018 0.613 20 17 "[*********1****.-** +]" 1
452 1 31 LYS H 1 32 PHE H 3.000 2.600 3.000 2.870 2.659 3.010 0.010 12 0 "[ . 1 . 2]" 1
453 1 63 ASP H 1 63 ASP HB2 3.700 . 3.700 3.834 3.778 3.874 0.174 15 0 "[ . 1 . 2]" 1
454 1 14 PHE QE 1 24 VAL H 5.000 3.700 7.000 4.526 2.826 5.552 0.874 6 1 "[ .+ 1 . 2]" 1
455 1 14 PHE QE 1 64 ILE H 3.700 2.900 5.700 3.475 3.017 3.780 . 0 0 "[ . 1 . 2]" 1
456 1 51 MET HA 1 55 ASP H 5.000 3.700 5.000 3.854 3.623 4.173 0.077 2 0 "[ . 1 . 2]" 1
457 1 54 ALA H 1 55 ASP HB3 6.766 . 6.766 5.338 4.799 5.658 . 0 0 "[ . 1 . 2]" 1
458 1 30 PHE QE 1 51 MET H 3.700 2.900 5.700 4.021 3.458 4.695 . 0 0 "[ . 1 . 2]" 1
459 1 14 PHE QE 1 67 PHE H 5.000 3.700 7.000 3.818 3.271 4.061 0.429 16 0 "[ . 1 . 2]" 1
460 1 14 PHE H 1 67 PHE QD 5.000 3.700 7.000 4.729 4.032 5.627 . 0 0 "[ . 1 . 2]" 1
461 1 30 PHE H 1 32 PHE H 4.400 4.000 4.400 4.188 3.977 4.417 0.023 3 0 "[ . 1 . 2]" 1
462 1 28 ASP H 1 30 PHE H 4.400 4.000 4.400 4.217 4.037 4.407 0.007 19 0 "[ . 1 . 2]" 1
463 1 50 ALA HA 1 53 GLU H 3.600 3.200 3.600 3.682 3.633 3.778 0.178 3 0 "[ . 1 . 2]" 1
464 1 52 LYS HA 1 55 ASP H 3.600 3.200 3.600 3.343 3.130 3.632 0.070 11 0 "[ . 1 . 2]" 1
465 1 10 ILE HA 1 14 PHE H 3.700 2.900 3.700 3.505 3.018 3.816 0.116 2 0 "[ . 1 . 2]" 1
466 1 26 ASP H 1 30 PHE H 5.000 3.700 5.000 4.244 3.816 4.518 . 0 0 "[ . 1 . 2]" 1
467 1 47 VAL QG 1 51 MET H 5.000 3.700 6.000 4.155 3.949 4.431 . 0 0 "[ . 1 . 2]" 1
468 1 63 ASP H 1 67 PHE H 5.000 3.700 5.000 4.849 4.584 5.015 0.015 12 0 "[ . 1 . 2]" 1
469 1 14 PHE QD 1 67 PHE H 5.000 3.700 7.000 4.586 4.229 4.963 . 0 0 "[ . 1 . 2]" 1
470 1 14 PHE HZ 1 64 ILE H 3.700 2.900 3.700 3.721 3.580 3.772 0.072 16 0 "[ . 1 . 2]" 1
471 1 25 ILE H 1 63 ASP HA 3.700 2.900 3.700 3.683 3.472 3.799 0.099 5 0 "[ . 1 . 2]" 1
472 1 24 VAL HA 1 62 ILE H 5.000 3.700 5.000 4.643 4.031 5.011 0.011 11 0 "[ . 1 . 2]" 1
473 1 25 ILE MG 1 62 ILE H 5.000 3.700 6.000 4.149 3.645 4.461 0.055 7 0 "[ . 1 . 2]" 1
474 1 26 ASP HA 1 62 ILE H 3.700 2.900 3.700 3.730 3.485 3.878 0.178 6 0 "[ . 1 . 2]" 1
475 1 24 VAL HA 1 63 ASP HA 2.900 . 2.900 2.459 2.095 2.871 . 0 0 "[ . 1 . 2]" 1
476 1 30 PHE HA 1 34 MET H 5.000 3.700 5.000 3.873 3.658 4.195 0.042 12 0 "[ . 1 . 2]" 1
477 1 27 PHE H 1 61 VAL QG 5.000 3.700 6.000 3.377 2.406 4.316 1.294 20 9 "[* ** *1* -* * +]" 1
478 1 64 ILE HA 1 68 MET H 5.000 3.700 5.000 4.209 3.991 4.480 . 0 0 "[ . 1 . 2]" 1
479 1 13 ALA HA 1 16 VAL H 3.600 3.200 3.600 3.731 3.627 3.858 0.258 15 0 "[ . 1 . 2]" 1
480 1 22 ASP H 1 23 GLY HA2 5.436 . 5.436 4.879 4.376 5.608 0.172 13 0 "[ . 1 . 2]" 1
481 1 47 VAL H 1 47 VAL QG 3.700 3.700 4.700 2.331 2.155 2.816 1.545 18 20 [*-***************+**] 1
482 1 20 ASN H 1 21 GLY HA3 6.733 . 6.733 5.444 4.323 5.957 . 0 0 "[ . 1 . 2]" 1
483 1 56 GLU HG3 1 57 ASP H 5.000 3.700 5.000 4.971 4.455 5.238 0.238 17 0 "[ . 1 . 2]" 1
484 1 34 MET H 1 35 GLN QG 5.000 3.700 6.000 5.108 4.665 5.671 . 0 0 "[ . 1 . 2]" 1
485 1 27 PHE HA 1 31 LYS H 5.000 3.700 5.000 4.061 3.777 4.231 . 0 0 "[ . 1 . 2]" 1
486 1 43 THR HA 1 46 GLU H 5.000 3.700 5.000 4.984 4.782 5.187 0.187 7 0 "[ . 1 . 2]" 1
487 1 45 ALA MB 1 48 GLU H 5.000 3.700 6.000 4.896 4.767 5.005 . 0 0 "[ . 1 . 2]" 1
488 1 29 GLU H 1 30 PHE HB3 6.733 . 6.733 5.275 4.985 6.158 . 0 0 "[ . 1 . 2]" 1
489 1 49 GLU HG2 1 50 ALA H 5.000 3.700 5.000 4.817 4.029 5.235 0.235 11 0 "[ . 1 . 2]" 1
490 1 56 GLU H 1 62 ILE MG 5.000 3.700 6.000 3.888 3.574 4.271 0.126 6 0 "[ . 1 . 2]" 1
491 1 26 ASP H 1 29 GLU HG3 5.000 . 5.000 3.891 2.048 4.911 . 0 0 "[ . 1 . 2]" 1
492 1 26 ASP H 1 29 GLU HG2 5.000 . 5.000 3.826 1.791 4.852 0.009 5 0 "[ . 1 . 2]" 1
493 1 63 ASP H 1 66 GLU HG3 5.000 3.700 5.000 3.947 3.588 5.142 0.142 10 0 "[ . 1 . 2]" 1
494 1 63 ASP H 1 66 GLU HG2 5.000 3.700 5.000 4.230 3.646 5.150 0.150 11 0 "[ . 1 . 2]" 1
495 1 62 ILE MG 1 63 ASP H 3.700 2.900 4.700 2.285 2.171 2.376 0.729 18 20 [********-********+**] 1
496 1 19 ALA MB 1 29 GLU H 5.000 3.700 6.000 4.936 4.046 5.209 . 0 0 "[ . 1 . 2]" 1
497 1 26 ASP H 1 29 GLU QB 2.900 . 3.900 2.851 2.199 3.700 . 0 0 "[ . 1 . 2]" 1
498 1 19 ALA H 1 29 GLU HG3 5.000 2.900 5.000 4.227 2.821 5.079 0.079 16 0 "[ . 1 . 2]" 1
499 1 19 ALA H 1 29 GLU QB 5.000 3.700 6.000 4.142 3.013 5.445 0.687 12 1 "[ . 1 + . 2]" 1
500 1 43 THR H 1 46 GLU QB 5.000 3.700 6.000 4.283 2.780 5.392 0.920 17 4 "[ .* - *. + 2]" 1
501 1 43 THR H 1 46 GLU HG3 5.000 2.900 5.000 3.937 3.352 4.423 . 0 0 "[ . 1 . 2]" 1
502 1 43 THR H 1 46 GLU HG2 5.000 2.900 5.000 4.806 3.630 5.147 0.147 11 0 "[ . 1 . 2]" 1
503 1 14 PHE HZ 1 24 VAL HA 3.700 2.900 3.700 3.184 2.801 3.693 0.099 5 0 "[ . 1 . 2]" 1
504 1 14 PHE QE 1 24 VAL HA 2.900 . 4.900 3.513 2.885 4.326 . 0 0 "[ . 1 . 2]" 1
505 1 14 PHE QD 1 24 VAL HA 5.000 3.700 7.000 5.716 5.120 6.439 . 0 0 "[ . 1 . 2]" 1
506 1 14 PHE QD 1 67 PHE HB2 3.700 2.900 5.700 2.972 2.458 3.464 0.442 15 0 "[ . 1 . 2]" 1
507 1 14 PHE QD 1 67 PHE HB3 3.700 2.900 5.700 2.554 2.242 2.823 0.658 8 3 "[ . -+ 1 .* 2]" 1
508 1 14 PHE QE 1 67 PHE HB2 2.900 . 4.900 2.948 2.787 3.148 . 0 0 "[ . 1 . 2]" 1
509 1 14 PHE QE 1 23 GLY HA3 5.000 3.700 7.000 4.574 3.702 5.382 . 0 0 "[ . 1 . 2]" 1
510 1 14 PHE QE 1 23 GLY HA2 5.000 3.700 7.000 3.530 2.869 4.092 0.831 17 5 "[ -** *1 . + 2]" 1
511 1 14 PHE HB3 1 67 PHE QD 3.700 2.900 5.700 3.622 2.777 5.155 0.123 15 0 "[ . 1 . 2]" 1
512 1 14 PHE HB2 1 67 PHE QD 3.700 2.900 5.700 2.643 2.123 3.818 0.777 13 7 "[** -. 1 +** * 2]" 1
513 1 14 PHE QD 1 25 ILE MD 2.900 . 5.900 2.945 2.717 3.138 . 0 0 "[ . 1 . 2]" 1
514 1 14 PHE QD 1 25 ILE HG12 3.700 2.900 5.700 5.007 4.826 5.214 . 0 0 "[ . 1 . 2]" 1
515 1 14 PHE QD 1 25 ILE HG13 3.700 2.900 5.700 4.182 3.786 4.472 . 0 0 "[ . 1 . 2]" 1
516 1 14 PHE QD 1 64 ILE HG13 5.448 . 7.448 3.903 2.700 4.548 . 0 0 "[ . 1 . 2]" 1
517 1 14 PHE QE 1 64 ILE HG13 4.648 . 6.648 3.299 2.483 3.903 . 0 0 "[ . 1 . 2]" 1
518 1 14 PHE HZ 1 64 ILE HG13 5.448 . 5.448 4.688 3.988 5.333 . 0 0 "[ . 1 . 2]" 1
519 1 14 PHE QE 1 25 ILE MD 2.900 . 5.900 2.464 2.335 2.778 . 0 0 "[ . 1 . 2]" 1
520 1 14 PHE HZ 1 25 ILE MD 3.700 2.900 4.700 2.820 2.603 3.231 0.297 12 0 "[ . 1 . 2]" 1
521 1 14 PHE QE 1 25 ILE HG13 4.696 . 6.696 2.920 2.525 3.089 . 0 0 "[ . 1 . 2]" 1
522 1 14 PHE HZ 1 25 ILE HG13 4.696 . 4.696 2.742 2.250 3.189 . 0 0 "[ . 1 . 2]" 1
523 1 14 PHE QD 1 62 ILE MG 5.000 3.700 8.000 4.027 3.608 4.384 0.092 15 0 "[ . 1 . 2]" 1
524 1 14 PHE QD 1 15 LYS HA 3.700 2.900 5.700 2.914 2.693 3.502 0.207 9 0 "[ . 1 . 2]" 1
525 1 14 PHE QD 1 18 ASP HB3 3.700 2.900 5.700 3.748 3.235 4.204 . 0 0 "[ . 1 . 2]" 1
526 1 14 PHE QE 1 18 ASP HB3 3.700 . 5.700 3.899 3.410 4.396 . 0 0 "[ . 1 . 2]" 1
527 1 14 PHE QD 1 18 ASP HB2 3.700 2.900 5.700 3.491 2.706 4.149 0.194 2 0 "[ . 1 . 2]" 1
528 1 14 PHE QE 1 18 ASP HB2 3.700 . 5.700 2.732 2.399 3.326 . 0 0 "[ . 1 . 2]" 1
529 1 14 PHE HZ 1 18 ASP HB2 5.324 . 5.324 4.490 3.937 4.998 . 0 0 "[ . 1 . 2]" 1
530 1 30 PHE QD 1 33 ILE HB 5.000 3.700 7.000 6.230 4.827 6.494 . 0 0 "[ . 1 . 2]" 1
531 1 30 PHE QD 1 47 VAL HA 5.000 3.700 7.000 4.272 3.438 5.322 0.262 11 0 "[ . 1 . 2]" 1
532 1 30 PHE QE 1 47 VAL HA 5.000 3.700 7.000 3.351 2.709 4.296 0.991 19 8 "[ ** . *** -*. +2]" 1
533 1 30 PHE HZ 1 51 MET HA 3.700 2.900 3.700 3.232 2.883 3.680 0.017 2 0 "[ . 1 . 2]" 1
534 1 30 PHE QE 1 51 MET HA 3.700 2.900 5.700 3.127 2.769 3.896 0.131 16 0 "[ . 1 . 2]" 1
535 1 67 PHE QD 1 68 MET HA 3.700 2.900 5.700 3.986 3.016 4.880 . 0 0 "[ . 1 . 2]" 1
536 1 14 PHE HA 1 67 PHE QD 5.000 3.700 7.000 4.674 4.306 5.088 . 0 0 "[ . 1 . 2]" 1
537 1 30 PHE HZ 1 51 MET HB2 4.597 . 4.597 3.409 2.970 4.038 . 0 0 "[ . 1 . 2]" 1
538 1 30 PHE QE 1 51 MET HB2 4.597 . 6.597 3.146 2.937 3.323 . 0 0 "[ . 1 . 2]" 1
539 1 25 ILE MD 1 67 PHE QD 5.000 3.700 8.000 4.615 3.040 5.082 0.660 16 1 "[ . 1 .+ 2]" 1
540 1 25 ILE MD 1 67 PHE QE 5.000 3.700 8.000 5.266 3.552 5.767 0.148 16 0 "[ . 1 . 2]" 1
541 1 67 PHE QD 1 71 ILE MD 3.700 2.900 6.700 3.500 2.376 4.018 0.524 8 1 "[ . + 1 . 2]" 1
542 1 67 PHE HZ 1 71 ILE MD 3.700 2.900 4.700 2.877 2.385 3.947 0.515 12 2 "[ - 1 + . 2]" 1
543 1 67 PHE QE 1 71 ILE MD 3.700 2.900 6.700 2.523 1.966 3.255 0.934 16 4 "[ - * 1 .+ * 2]" 1
544 1 27 PHE HA 1 30 PHE QD 3.700 2.900 5.700 4.419 3.544 4.818 . 0 0 "[ . 1 . 2]" 1
545 1 27 PHE QD 1 28 ASP HA 3.700 2.900 5.700 4.088 2.984 4.866 . 0 0 "[ . 1 . 2]" 1
546 1 27 PHE QD 1 48 GLU HA 5.000 3.700 7.000 4.678 3.213 5.912 0.487 6 0 "[ . 1 . 2]" 1
547 1 27 PHE QE 1 47 VAL QG 3.700 2.900 6.700 3.298 2.034 4.939 0.866 6 3 "[ .+ 1 .-* 2]" 1
548 1 32 PHE QD 1 33 ILE MG 3.700 2.900 6.700 4.502 4.221 5.337 . 0 0 "[ . 1 . 2]" 1
549 1 62 ILE MG 1 67 PHE QD 2.900 . 5.900 4.444 3.713 4.632 . 0 0 "[ . 1 . 2]" 1
550 1 10 ILE MG 1 67 PHE QD 2.900 . 5.900 2.612 2.235 3.646 . 0 0 "[ . 1 . 2]" 1
551 1 10 ILE HA 1 67 PHE QD 5.000 3.700 7.000 4.858 3.751 5.466 . 0 0 "[ . 1 . 2]" 1
552 1 10 ILE HA 1 67 PHE QE 3.700 2.900 5.700 2.799 2.141 3.860 0.759 7 4 "[ -.*+ 1 * . 2]" 1
553 1 26 ASP HA 1 61 VAL HA 2.900 . 2.900 2.791 2.327 3.012 0.112 1 0 "[ . 1 . 2]" 1
554 1 18 ASP HA 1 25 ILE MD 3.700 2.900 4.700 3.786 3.200 3.998 . 0 0 "[ . 1 . 2]" 1
555 1 55 ASP HA 1 62 ILE MD 3.700 2.900 4.700 3.238 2.763 3.555 0.137 18 0 "[ . 1 . 2]" 1
556 1 50 ALA MB 1 51 MET HA 4.000 2.900 5.000 4.053 3.973 4.090 . 0 0 "[ . 1 . 2]" 1
557 1 44 ASP HA 1 47 VAL QG 3.700 3.700 4.700 2.899 1.959 3.634 1.741 16 13 "[**-**** ** * .+ **2]" 1
558 1 44 ASP HA 1 47 VAL HB 3.700 2.900 3.700 3.408 2.894 3.942 0.242 11 0 "[ . 1 . 2]" 1
559 1 10 ILE MG 1 68 MET HA 2.900 . 3.900 2.645 1.826 3.205 . 0 0 "[ . 1 . 2]" 1
560 1 62 ILE MG 1 63 ASP HA 5.000 3.700 6.000 3.979 3.843 4.105 . 0 0 "[ . 1 . 2]" 1
561 1 24 VAL HA 1 25 ILE HB 5.000 3.700 5.000 4.535 4.355 4.829 . 0 0 "[ . 1 . 2]" 1
562 1 63 ASP HA 1 65 PRO HD2 5.000 3.700 5.000 4.298 4.162 4.439 . 0 0 "[ . 1 . 2]" 1
563 1 63 ASP HA 1 65 PRO HD3 5.000 3.700 5.000 4.743 4.577 4.876 . 0 0 "[ . 1 . 2]" 1
564 1 26 ASP QB 1 61 VAL HA . 3.700 5.000 4.304 3.744 4.727 . 0 0 "[ . 1 . 2]" 1
565 1 19 ALA HA 1 20 ASN HA 5.000 3.700 5.000 4.745 4.210 5.021 0.021 12 0 "[ . 1 . 2]" 1
566 1 19 ALA MB 1 20 ASN HA 5.000 3.700 6.000 4.124 3.788 5.129 . 0 0 "[ . 1 . 2]" 1
567 1 68 MET HB2 1 69 ASP HA 5.468 . 5.468 4.904 4.352 5.523 0.055 3 0 "[ . 1 . 2]" 1
568 1 70 LEU HA 1 71 ILE HA 5.000 3.700 5.000 4.736 4.566 4.889 . 0 0 "[ . 1 . 2]" 1
569 1 26 ASP HA 1 61 VAL QG 3.700 2.900 4.700 2.227 1.947 2.738 0.953 9 18 "[* *****-+**** ******]" 1
570 1 14 PHE QD 1 67 PHE QD 2.900 . 6.900 2.556 2.074 3.140 . 0 0 "[ . 1 . 2]" 1
571 1 27 PHE HA 1 27 PHE QD 2.900 . 4.900 2.776 2.184 3.333 . 0 0 "[ . 1 . 2]" 1
572 1 32 PHE HA 1 32 PHE QD 2.900 . 4.900 2.858 2.505 3.080 . 0 0 "[ . 1 . 2]" 1
573 1 67 PHE HA 1 67 PHE QD 2.900 . 4.900 2.878 2.334 3.222 . 0 0 "[ . 1 . 2]" 1
574 1 14 PHE HZ 1 23 GLY HA2 6.736 . 6.736 5.514 4.808 6.219 . 0 0 "[ . 1 . 2]" 1
575 1 14 PHE HA 1 14 PHE QD 2.900 . 4.900 3.203 3.073 3.303 . 0 0 "[ . 1 . 2]" 1
576 1 14 PHE QE 1 67 PHE HB3 2.900 . 4.900 2.950 2.270 3.461 . 0 0 "[ . 1 . 2]" 1
577 1 63 ASP HA 1 63 ASP HB3 2.900 . 2.900 2.377 2.346 2.415 . 0 0 "[ . 1 . 2]" 1
578 1 63 ASP HA 1 63 ASP HB2 2.900 . 2.900 2.430 2.279 2.522 . 0 0 "[ . 1 . 2]" 1
579 1 20 ASN HA 1 20 ASN HB3 2.900 . 2.900 2.713 2.320 3.061 0.161 17 0 "[ . 1 . 2]" 1
580 1 20 ASN HA 1 20 ASN HB2 2.900 . 2.900 2.442 2.272 2.565 . 0 0 "[ . 1 . 2]" 1
581 1 26 ASP HA 1 27 PHE HA 5.000 3.700 5.000 4.352 4.296 4.466 . 0 0 "[ . 1 . 2]" 1
582 1 22 ASP HA 1 22 ASP HB3 2.900 . 2.900 2.653 2.434 3.015 0.115 11 0 "[ . 1 . 2]" 1
583 1 22 ASP HA 1 22 ASP HB2 2.900 . 2.900 2.353 2.214 2.444 . 0 0 "[ . 1 . 2]" 1
584 1 21 GLY HA3 1 22 ASP HA 6.733 . 6.733 4.813 4.624 5.392 . 0 0 "[ . 1 . 2]" 1
585 1 18 ASP HA 1 25 ILE MG 5.000 3.700 6.000 3.972 3.169 4.466 0.531 18 1 "[ . 1 . + 2]" 1
586 1 33 ILE HA 1 33 ILE MG 2.900 . 3.900 3.234 2.824 3.299 . 0 0 "[ . 1 . 2]" 1
587 1 33 ILE HA 1 33 ILE HB 2.900 . 2.900 2.808 2.626 3.026 0.126 16 0 "[ . 1 . 2]" 1
588 1 33 ILE HG12 1 34 MET HA 6.752 . 6.752 5.536 4.953 6.784 0.032 16 0 "[ . 1 . 2]" 1
589 1 33 ILE MG 1 34 MET HB3 5.419 . 6.419 4.637 4.058 5.180 . 0 0 "[ . 1 . 2]" 1
590 1 18 ASP HA 1 25 ILE HA 3.700 2.900 3.700 3.209 2.720 3.671 0.180 19 0 "[ . 1 . 2]" 1
591 1 59 ASN HA 1 59 ASN HB3 2.900 . 2.900 2.859 2.388 3.024 0.124 13 0 "[ . 1 . 2]" 1
592 1 59 ASN HA 1 59 ASN HB2 2.900 . 2.900 2.330 2.157 2.486 . 0 0 "[ . 1 . 2]" 1
593 1 57 ASP HA 1 57 ASP HB3 2.900 . 2.900 2.968 2.474 3.041 0.141 15 0 "[ . 1 . 2]" 1
594 1 57 ASP HA 1 57 ASP HB2 2.900 . 2.900 2.327 2.041 2.420 . 0 0 "[ . 1 . 2]" 1
595 1 62 ILE HB 1 64 ILE HA 5.000 3.700 5.000 5.232 5.200 5.292 0.292 17 0 "[ . 1 . 2]" 1
596 1 61 VAL HA 1 61 VAL QG 2.900 . 3.900 2.357 2.166 2.584 . 0 0 "[ . 1 . 2]" 1
597 1 61 VAL HA 1 62 ILE HB 5.000 3.700 5.000 4.892 4.681 5.065 0.065 1 0 "[ . 1 . 2]" 1
598 1 25 ILE MD 1 62 ILE HB 3.700 2.900 4.700 2.945 2.703 3.137 0.197 19 0 "[ . 1 . 2]" 1
599 1 26 ASP QB 1 61 VAL QG 3.700 2.900 4.700 2.348 1.812 3.228 1.088 5 13 "[** *+ ***1* ** **-]" 1
600 1 55 ASP HA 1 62 ILE HA 5.000 3.700 5.000 4.137 3.706 4.432 . 0 0 "[ . 1 . 2]" 1
601 1 25 ILE HA 1 29 GLU QB 5.000 3.700 6.000 4.045 3.365 4.926 0.335 15 0 "[ . 1 . 2]" 1
602 1 25 ILE HA 1 29 GLU HG2 5.000 3.700 5.000 4.522 3.496 5.142 0.204 11 0 "[ . 1 . 2]" 1
603 1 62 ILE HA 1 66 GLU HB3 5.000 3.700 5.000 4.878 4.310 5.111 0.111 2 0 "[ . 1 . 2]" 1
604 1 62 ILE HA 1 66 GLU HG3 6.747 . 6.747 4.568 3.898 5.458 . 0 0 "[ . 1 . 2]" 1
605 1 64 ILE HA 1 65 PRO HD3 4.655 . 4.655 4.040 4.009 4.082 . 0 0 "[ . 1 . 2]" 1
606 1 63 ASP HB2 1 64 ILE HA 6.705 . 6.705 5.188 5.092 5.258 . 0 0 "[ . 1 . 2]" 1
607 1 55 ASP HA 1 62 ILE HG13 6.774 . 6.774 4.828 4.078 5.188 . 0 0 "[ . 1 . 2]" 1
608 1 20 ASN HA 1 21 GLY HA2 6.733 . 6.733 5.258 4.642 5.465 . 0 0 "[ . 1 . 2]" 1
609 1 25 ILE MG 1 30 PHE HA 5.000 3.700 6.000 3.602 3.251 3.867 0.449 3 0 "[ . 1 . 2]" 1
610 1 22 ASP HA 1 23 GLY HA2 6.736 . 6.736 4.879 4.298 5.103 . 0 0 "[ . 1 . 2]" 1
611 1 14 PHE QE 1 67 PHE HA 5.000 3.700 7.000 5.165 4.863 5.396 . 0 0 "[ . 1 . 2]" 1
612 1 30 PHE HZ 1 51 MET HG2 5.464 . 5.464 5.084 4.172 5.969 0.505 6 1 "[ .+ 1 . 2]" 1
613 1 30 PHE QE 1 51 MET HG2 3.700 . 5.700 3.906 2.605 4.846 . 0 0 "[ . 1 . 2]" 1
614 1 30 PHE QE 1 51 MET HG3 3.700 . 5.700 3.421 2.313 5.097 . 0 0 "[ . 1 . 2]" 1
615 1 30 PHE HZ 1 54 ALA MB 3.700 2.900 4.700 3.856 3.718 3.966 . 0 0 "[ . 1 . 2]" 1
616 1 10 ILE HB 1 67 PHE QD 5.000 3.700 7.000 5.428 4.997 6.129 . 0 0 "[ . 1 . 2]" 1
617 1 10 ILE HB 1 67 PHE QE 3.700 2.900 5.700 4.392 3.948 4.882 . 0 0 "[ . 1 . 2]" 1
618 1 30 PHE QD 1 47 VAL QG 5.000 3.700 8.000 2.124 1.697 2.904 2.003 11 20 [**********+********-] 1
619 1 30 PHE QE 1 47 VAL QG 5.000 3.700 8.000 2.691 2.336 3.247 1.364 12 19 "[**********-+***** **]" 1
620 1 30 PHE HZ 1 47 VAL QG 5.000 3.700 6.000 4.528 4.212 4.873 . 0 0 "[ . 1 . 2]" 1
621 1 19 ALA HA 1 24 VAL HA 11.000 9.000 11.000 9.341 8.847 10.113 0.153 13 0 "[ . 1 . 2]" 1
622 1 17 PHE QD 1 30 PHE HA 2.900 . 4.900 3.995 3.718 4.405 . 0 0 "[ . 1 . 2]" 1
623 1 17 PHE QE 1 30 PHE HA 2.900 . 4.900 2.054 1.891 2.183 . 0 0 "[ . 1 . 2]" 1
624 1 17 PHE QD 1 30 PHE HB3 6.733 . 8.733 6.026 5.592 6.850 . 0 0 "[ . 1 . 2]" 1
625 1 14 PHE HA 1 17 PHE QD 2.900 . 4.900 4.048 2.989 4.457 . 0 0 "[ . 1 . 2]" 1
626 1 14 PHE HB3 1 67 PHE QE 5.000 2.900 7.000 3.712 3.008 5.286 . 0 0 "[ . 1 . 2]" 1
627 1 14 PHE HB2 1 67 PHE QE 5.000 2.900 7.000 2.547 1.993 3.777 0.907 2 8 "[*+* . * *. - **]" 1
628 1 14 PHE HA 1 67 PHE QE 5.000 3.700 7.000 4.238 2.842 4.774 0.858 16 1 "[ . 1 .+ 2]" 1
629 1 27 PHE QD 1 47 VAL QG 3.700 2.900 6.700 4.089 2.466 5.056 0.434 17 0 "[ . 1 . 2]" 1
630 1 14 PHE HZ 1 64 ILE HA 3.700 2.900 3.700 3.438 3.231 3.699 . 0 0 "[ . 1 . 2]" 1
631 1 14 PHE QE 1 64 ILE HA 3.700 2.900 5.700 3.094 2.873 3.197 0.027 16 0 "[ . 1 . 2]" 1
632 1 55 ASP HA 1 56 GLU HA 5.000 3.700 5.000 4.615 4.500 4.858 . 0 0 "[ . 1 . 2]" 1
633 1 55 ASP HA 1 62 ILE MG 5.000 3.700 6.000 2.817 2.558 3.152 1.142 18 20 [********-********+**] 1
634 1 63 ASP HA 1 64 ILE HA 5.000 3.700 5.000 4.278 4.229 4.332 . 0 0 "[ . 1 . 2]" 1
635 1 70 LEU QB 1 71 ILE HA 5.000 3.700 6.000 4.495 3.853 4.959 . 0 0 "[ . 1 . 2]" 1
636 1 10 ILE HA 1 71 ILE MD 5.000 3.700 6.000 4.096 3.149 4.954 0.551 2 1 "[ + . 1 . 2]" 1
637 1 62 ILE MD 1 64 ILE HA 6.000 3.700 7.000 5.837 5.723 5.922 . 0 0 "[ . 1 . 2]" 1
638 1 25 ILE MD 1 64 ILE HA 5.000 3.700 6.000 4.753 4.603 4.868 . 0 0 "[ . 1 . 2]" 1
639 1 18 ASP HB2 1 25 ILE MD 5.000 2.900 6.000 3.870 3.535 4.593 . 0 0 "[ . 1 . 2]" 1
640 1 18 ASP HB3 1 25 ILE MD 5.000 2.900 6.000 4.610 4.102 4.887 . 0 0 "[ . 1 . 2]" 1
641 1 68 MET HA 1 71 ILE HB 3.700 2.900 3.700 3.318 2.775 3.817 0.125 17 0 "[ . 1 . 2]" 1
642 1 68 MET HA 1 71 ILE HA 6.000 3.700 6.000 5.780 5.148 6.018 0.018 12 0 "[ . 1 . 2]" 1
643 1 25 ILE HG12 1 62 ILE HA 8.796 2.704 8.796 7.949 7.613 8.071 . 0 0 "[ . 1 . 2]" 1
644 1 25 ILE HB 1 62 ILE HA 5.000 3.700 5.000 5.094 4.935 5.227 0.227 3 0 "[ . 1 . 2]" 1
645 1 61 VAL HA 1 62 ILE MG 5.000 3.700 6.000 5.204 5.159 5.253 . 0 0 "[ . 1 . 2]" 1
646 1 61 VAL QG 1 62 ILE HA 6.000 3.700 7.000 4.421 4.150 4.686 . 0 0 "[ . 1 . 2]" 1
647 1 14 PHE HA 1 17 PHE HA 5.000 3.700 5.000 5.094 5.003 5.156 0.156 9 0 "[ . 1 . 2]" 1
648 1 16 VAL QG 1 17 PHE HA 5.000 3.700 6.000 3.087 2.875 3.838 0.825 4 16 "[ **+.** *******-* **]" 1
649 1 51 MET HA 1 54 ALA MB 3.700 2.900 4.700 2.517 2.358 2.719 0.542 12 4 "[ *. *1 + . - 2]" 1
650 1 64 ILE HA 1 67 PHE HB2 5.419 . 5.419 4.766 4.203 5.389 . 0 0 "[ . 1 . 2]" 1
651 1 10 ILE HA 1 13 ALA MB 3.700 2.900 4.700 3.031 2.504 3.542 0.396 19 0 "[ . 1 . 2]" 1
652 1 13 ALA HA 1 16 VAL QG 5.000 3.700 6.000 3.109 2.506 3.583 1.194 16 9 "[- * * **1 * *+ *]" 1
653 1 25 ILE MD 1 67 PHE HB3 5.000 3.700 6.000 4.736 4.248 4.986 . 0 0 "[ . 1 . 2]" 1
654 1 25 ILE MD 1 67 PHE HB2 5.000 3.700 6.000 4.524 3.969 4.894 . 0 0 "[ . 1 . 2]" 1
655 1 62 ILE MG 1 67 PHE HB3 3.700 . 4.700 3.442 2.921 3.733 . 0 0 "[ . 1 . 2]" 1
656 1 62 ILE MG 1 67 PHE HB2 3.700 . 4.700 2.797 2.370 3.032 . 0 0 "[ . 1 . 2]" 1
657 1 60 GLY HA3 1 61 VAL QG 6.752 . 7.752 3.710 3.415 4.136 . 0 0 "[ . 1 . 2]" 1
658 1 24 VAL QG 1 63 ASP HB3 5.000 2.900 6.000 2.557 2.315 2.951 0.585 19 3 "[ -. 1 *. +2]" 1
659 1 24 VAL QG 1 63 ASP HB2 5.000 2.900 6.000 3.384 2.800 3.878 0.100 4 0 "[ . 1 . 2]" 1
660 1 54 ALA MB 1 55 ASP HA 5.000 3.700 6.000 4.290 4.168 4.492 . 0 0 "[ . 1 . 2]" 1
661 1 30 PHE HA 1 33 ILE HB 3.700 2.900 3.700 3.810 3.154 3.929 0.229 13 0 "[ . 1 . 2]" 1
662 1 30 PHE HA 1 33 ILE MG 3.700 2.900 4.700 2.312 2.044 3.930 0.856 13 17 "[****-* *****+*. ****]" 1
663 1 30 PHE HA 1 33 ILE MD 5.000 3.700 6.000 4.891 4.707 5.020 . 0 0 "[ . 1 . 2]" 1
664 1 15 LYS HA 1 18 ASP HB3 3.700 . 3.700 2.638 2.250 3.528 . 0 0 "[ . 1 . 2]" 1
665 1 15 LYS HA 1 18 ASP HB2 3.700 . 3.700 3.689 2.986 3.931 0.231 18 0 "[ . 1 . 2]" 1
666 1 64 ILE MG 1 68 MET ME 5.000 3.700 7.000 3.684 2.165 4.717 1.535 5 6 "[ - +* 1 .*** 2]" 1
667 1 51 MET ME 1 62 ILE MD 3.700 2.900 5.700 2.960 2.375 3.726 0.525 8 1 "[ . + 1 . 2]" 1
668 1 51 MET HB2 1 62 ILE MD 5.000 3.700 6.000 4.361 3.990 4.687 . 0 0 "[ . 1 . 2]" 1
669 1 51 MET HB3 1 62 ILE MD 5.000 3.700 6.000 4.846 4.743 4.966 . 0 0 "[ . 1 . 2]" 1
670 1 51 MET HA 1 62 ILE MD 5.000 3.700 6.000 3.173 2.838 3.520 0.862 3 11 "[* + . * ***** .-** 2]" 1
671 1 51 MET ME 1 62 ILE MG 5.000 3.700 7.000 4.417 4.157 4.819 . 0 0 "[ . 1 . 2]" 1
672 1 51 MET ME 1 62 ILE HG12 6.774 . 7.774 2.726 2.383 3.160 . 0 0 "[ . 1 . 2]" 1
673 1 10 ILE MG 1 68 MET ME 2.900 . 4.900 1.844 1.490 2.352 0.310 19 0 "[ . 1 . 2]" 1
674 1 17 PHE QB 1 25 ILE MD 3.700 2.900 4.700 2.227 2.014 2.525 0.886 7 17 "[** ***+-******. ****]" 1
675 1 14 PHE HA 1 25 ILE MD 2.900 . 3.900 2.995 2.662 3.172 . 0 0 "[ . 1 . 2]" 1
676 1 14 PHE HB3 1 25 ILE MD 6.715 . 7.715 4.643 4.377 4.792 . 0 0 "[ . 1 . 2]" 1
677 1 51 MET ME 1 55 ASP HA 5.000 3.700 6.000 4.787 4.107 5.100 . 0 0 "[ . 1 . 2]" 1
678 1 51 MET ME 1 61 VAL HA 3.700 2.900 4.700 2.615 2.179 3.313 0.721 4 7 "[* *+.*- 1 .** 2]" 1
679 1 26 ASP HA 1 51 MET ME 3.700 2.900 4.700 3.097 2.348 3.787 0.552 6 1 "[ .+ 1 . 2]" 1
680 1 51 MET ME 1 62 ILE HA 5.000 3.700 6.000 4.706 4.238 5.054 . 0 0 "[ . 1 . 2]" 1
681 1 51 MET ME 1 55 ASP HB3 6.766 . 7.766 4.208 3.166 5.038 . 0 0 "[ . 1 . 2]" 1
682 1 11 LEU HA 1 14 PHE HB3 5.000 2.900 5.000 3.539 3.062 3.925 . 0 0 "[ . 1 . 2]" 1
683 1 11 LEU HA 1 14 PHE HB2 5.000 2.900 5.000 4.698 4.042 5.051 0.051 20 0 "[ . 1 . 2]" 1
684 1 10 ILE MG 1 11 LEU HA 3.700 2.900 4.700 3.606 3.209 3.854 . 0 0 "[ . 1 . 2]" 1
685 1 11 LEU HA 1 64 ILE MG 5.000 3.700 6.000 3.740 3.083 4.108 0.617 13 2 "[ - . 1 + . 2]" 1
686 1 11 LEU HA 1 64 ILE MD 5.000 3.700 6.000 4.849 4.760 4.989 . 0 0 "[ . 1 . 2]" 1
687 1 55 ASP HB3 1 62 ILE MD 5.000 3.700 6.000 4.511 4.081 4.894 . 0 0 "[ . 1 . 2]" 1
688 1 55 ASP HB2 1 62 ILE MD 5.000 3.700 6.000 3.456 2.900 3.893 0.800 2 5 "[ + . - ** * . 2]" 1
689 1 27 PHE HA 1 30 PHE HB3 3.700 2.900 3.700 2.977 2.780 3.797 0.120 2 0 "[ . 1 . 2]" 1
690 1 27 PHE HA 1 30 PHE HB2 3.700 2.900 3.700 3.329 2.717 3.752 0.183 18 0 "[ . 1 . 2]" 1
691 1 30 PHE HB3 1 51 MET ME 5.000 3.700 6.000 4.379 3.318 5.049 0.382 8 0 "[ . 1 . 2]" 1
692 1 30 PHE HB2 1 51 MET ME 5.000 3.700 6.000 3.846 2.827 4.813 0.873 8 4 "[ . + 1 .- **]" 1
693 1 27 PHE HA 1 51 MET ME 5.000 3.700 6.000 3.042 2.745 3.652 0.955 5 16 "[-** +* *******.* ***]" 1
694 1 27 PHE QB 1 51 MET ME 5.000 3.700 6.000 3.164 2.591 3.465 1.109 9 7 "[* * * +1*- *. 2]" 1
695 1 28 ASP HB3 1 29 GLU HA 5.000 3.700 5.000 4.614 4.243 4.782 . 0 0 "[ . 1 . 2]" 1
696 1 28 ASP HB2 1 29 GLU HA 5.000 3.700 5.000 4.808 4.641 5.019 0.019 6 0 "[ . 1 . 2]" 1
697 1 27 PHE QD 1 48 GLU QB 5.000 3.700 8.000 5.489 4.013 6.439 . 0 0 "[ . 1 . 2]" 1
698 1 27 PHE QD 1 48 GLU QG 5.000 3.700 8.000 4.997 3.775 6.555 . 0 0 "[ . 1 . 2]" 1
699 1 14 PHE QE 1 15 LYS HA 5.000 3.700 7.000 4.475 3.997 5.333 . 0 0 "[ . 1 . 2]" 1
700 1 14 PHE QD 1 67 PHE HA 5.000 3.700 7.000 5.022 4.674 5.324 . 0 0 "[ . 1 . 2]" 1
701 1 14 PHE QD 1 64 ILE HA 3.700 2.900 5.700 3.400 3.105 3.619 . 0 0 "[ . 1 . 2]" 1
702 1 23 GLY HA3 1 24 VAL HA 5.000 3.700 5.000 4.563 4.361 4.876 . 0 0 "[ . 1 . 2]" 1
703 1 23 GLY HA2 1 24 VAL HA 5.000 3.700 5.000 4.513 4.193 4.697 . 0 0 "[ . 1 . 2]" 1
704 1 43 THR HB 1 45 ALA MB 5.000 3.700 6.000 3.385 2.818 3.943 0.882 11 4 "[ * -. 1+ . * 2]" 1
705 1 43 THR MG 1 46 GLU HG3 5.000 2.900 6.000 4.049 2.860 5.182 0.040 17 0 "[ . 1 . 2]" 1
706 1 43 THR MG 1 46 GLU HG2 5.000 2.900 6.000 4.198 3.233 4.912 . 0 0 "[ . 1 . 2]" 1
707 1 43 THR MG 1 46 GLU QB 5.000 3.700 7.000 4.711 3.742 5.186 . 0 0 "[ . 1 . 2]" 1
708 1 44 ASP HA 1 45 ALA MB 5.000 3.700 6.000 5.030 4.977 5.062 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLU HA 1 41 PRO QD 3.700 2.900 4.700 2.946 2.170 3.837 0.730 19 4 "[ -. * * . +2]" 1
710 1 35 GLN QG 1 40 GLU HA 3.700 2.900 4.700 3.531 2.358 4.274 0.542 6 1 "[ .+ 1 . 2]" 1
711 1 40 GLU QG 1 41 PRO QD 3.700 2.900 5.700 3.911 1.943 4.564 0.957 17 1 "[ . 1 . + 2]" 1
712 1 40 GLU HB3 1 41 PRO QD 3.700 2.900 4.700 3.570 2.508 4.446 0.392 14 0 "[ . 1 . 2]" 1
713 1 40 GLU HB2 1 41 PRO QD 3.700 2.900 4.700 3.434 2.107 4.451 0.793 17 4 "[ . - 1 * * + 2]" 1
714 1 34 MET HB3 1 41 PRO QD 5.000 3.700 6.000 4.185 3.282 5.185 0.418 12 0 "[ . 1 . 2]" 1
715 1 34 MET HB2 1 41 PRO QD 5.000 3.700 6.000 5.120 4.216 5.677 . 0 0 "[ . 1 . 2]" 1
716 1 35 GLN HA 1 36 LYS QG 5.000 3.700 6.000 4.348 3.058 5.511 0.642 8 1 "[ . + 1 . 2]" 1
717 1 34 MET HA 1 36 LYS QG 5.000 3.700 6.000 5.067 4.695 5.334 . 0 0 "[ . 1 . 2]" 1
718 1 35 GLN QB 1 36 LYS QD 3.700 2.900 5.700 4.355 3.667 4.719 . 0 0 "[ . 1 . 2]" 1
719 1 41 PRO HA 1 41 PRO QG 3.700 2.900 4.700 2.871 2.385 3.707 0.515 8 2 "[ - . + 1 . 2]" 1
720 1 41 PRO HA 1 41 PRO QD 3.700 2.900 4.700 3.308 2.682 3.734 0.218 18 0 "[ . 1 . 2]" 1
721 1 41 PRO HA 1 42 LEU QB 3.700 2.900 4.700 3.909 3.478 4.462 . 0 0 "[ . 1 . 2]" 1
722 1 27 PHE QD 1 30 PHE HB2 6.733 . 8.733 5.072 3.704 6.171 . 0 0 "[ . 1 . 2]" 1
723 1 18 ASP HA 1 19 ALA MB 5.000 3.700 6.000 4.092 3.887 4.358 . 0 0 "[ . 1 . 2]" 1
724 1 63 ASP HB3 1 65 PRO HD3 5.000 2.900 5.000 5.089 5.063 5.143 0.143 9 0 "[ . 1 . 2]" 1
725 1 63 ASP HB2 1 65 PRO HD3 5.000 2.900 5.000 3.512 3.433 3.634 . 0 0 "[ . 1 . 2]" 1
726 1 63 ASP HB3 1 65 PRO HD2 5.000 2.900 5.000 4.109 4.051 4.213 . 0 0 "[ . 1 . 2]" 1
727 1 63 ASP HB2 1 65 PRO HD2 5.000 2.900 5.000 2.812 2.774 2.874 0.126 17 0 "[ . 1 . 2]" 1
728 1 25 ILE HA 1 29 GLU HG3 5.000 3.700 5.000 4.525 3.571 5.163 0.163 13 0 "[ . 1 . 2]" 1
729 1 64 ILE MG 1 68 MET HG3 3.700 2.900 4.700 2.933 1.987 3.931 0.913 13 8 "[ . ** ***+ - *]" 1
730 1 10 ILE HG12 1 68 MET HG3 8.359 . 8.359 5.932 4.579 7.330 . 0 0 "[ . 1 . 2]" 1
731 1 10 ILE MG 1 68 MET HG3 5.000 . 6.000 3.510 1.859 4.635 . 0 0 "[ . 1 . 2]" 1
732 1 64 ILE MG 1 68 MET HG2 3.700 2.900 4.700 2.766 1.903 3.809 0.997 2 8 "[-+* ** 1 .** *2]" 1
733 1 10 ILE MG 1 68 MET HG2 5.000 . 6.000 2.584 1.655 4.438 0.145 10 0 "[ . 1 . 2]" 1
734 1 25 ILE MG 1 30 PHE HB3 6.733 . 7.733 3.951 3.477 4.691 . 0 0 "[ . 1 . 2]" 1
735 1 10 ILE HG12 1 68 MET ME 3.700 2.900 4.700 2.896 2.085 3.735 0.815 6 4 "[ .+ *1 *. - 2]" 1
736 1 62 ILE MG 1 66 GLU HA 5.000 3.700 6.000 4.684 4.384 4.950 . 0 0 "[ . 1 . 2]" 1
737 1 62 ILE MG 1 66 GLU HB3 4.624 . 5.624 2.986 2.544 3.343 . 0 0 "[ . 1 . 2]" 1
738 1 62 ILE MG 1 66 GLU HG3 6.747 . 7.747 3.791 3.341 4.340 . 0 0 "[ . 1 . 2]" 1
739 1 25 ILE MD 1 33 ILE MG 5.000 3.700 7.000 4.635 4.373 4.755 . 0 0 "[ . 1 . 2]" 1
740 1 25 ILE MD 1 62 ILE MD 3.700 2.900 5.700 2.876 2.520 3.264 0.380 6 0 "[ . 1 . 2]" 1
741 1 25 ILE MD 1 62 ILE MG 3.700 2.900 5.700 3.642 3.548 3.697 . 0 0 "[ . 1 . 2]" 1
742 1 25 ILE MD 1 62 ILE HG13 5.474 . 6.474 3.864 3.529 4.390 . 0 0 "[ . 1 . 2]" 1
743 1 10 ILE MG 1 71 ILE MD 3.700 2.900 5.700 2.955 1.443 3.796 1.457 2 3 "[ + . 1 - *]" 1
744 1 10 ILE HG13 1 71 ILE MD 6.640 2.060 7.640 2.745 1.999 4.451 0.061 4 0 "[ . 1 . 2]" 1
745 1 16 VAL QG 1 33 ILE MD 5.000 3.700 7.000 3.247 2.537 4.103 1.163 18 8 "[ * .** * - * +*2]" 1
746 1 24 VAL QG 1 61 VAL HA 5.000 3.700 6.000 4.025 3.542 4.550 0.158 19 0 "[ . 1 . 2]" 1
747 1 24 VAL HB 1 61 VAL QG 3.700 2.900 4.700 3.738 2.893 4.065 0.007 9 0 "[ . 1 . 2]" 1
748 1 24 VAL QG 1 61 VAL HB 2.900 . 3.900 2.867 2.095 3.349 . 0 0 "[ . 1 . 2]" 1
749 1 17 PHE QD 1 33 ILE MD 3.700 2.900 6.700 3.813 2.377 4.469 0.523 16 1 "[ . 1 .+ 2]" 1
750 1 17 PHE QD 1 33 ILE MG 5.000 3.700 8.000 3.016 2.816 3.178 0.884 12 20 [***********+*******-] 1
751 1 17 PHE HA 1 33 ILE MD 3.700 2.900 4.700 2.495 2.002 3.420 0.898 10 10 "[ * *** +-* * **2]" 1
752 1 17 PHE QB 1 33 ILE MG 5.000 3.700 6.000 4.026 3.567 4.372 0.133 7 0 "[ . 1 . 2]" 1
753 1 49 GLU QB 1 52 LYS QB 5.000 3.700 7.000 4.847 4.491 5.547 . 0 0 "[ . 1 . 2]" 1
754 1 49 GLU HA 1 52 LYS QB 5.000 3.700 6.000 2.990 2.768 3.799 0.932 12 16 "[***** ***- + **** **]" 1
755 1 52 LYS HA 1 55 ASP HB3 5.466 . 5.466 2.974 2.191 3.771 . 0 0 "[ . 1 . 2]" 1
756 1 51 MET HA 1 52 LYS QB 5.000 3.700 6.000 5.335 5.221 5.481 . 0 0 "[ . 1 . 2]" 1
757 1 51 MET HB3 1 52 LYS QE 6.697 2.003 7.697 6.025 4.731 6.849 . 0 0 "[ . 1 . 2]" 1
758 1 7 GLU HG3 1 10 ILE MG 6.768 . 7.768 5.496 3.987 7.687 . 0 0 "[ . 1 . 2]" 1
759 1 51 MET HA 1 54 ALA HA 5.000 3.700 5.000 5.195 5.100 5.313 0.313 11 0 "[ . 1 . 2]" 1
760 1 24 VAL QG 1 61 VAL QG 5.000 3.700 7.000 1.989 1.838 2.189 1.862 1 20 [+*****************-*] 1
761 1 56 GLU H 1 66 GLU HG3 5.000 . 5.000 4.124 3.352 5.044 0.044 15 0 "[ . 1 . 2]" 1
762 1 56 GLU QB 1 66 GLU HG3 4.647 . 5.647 3.906 2.778 4.917 . 0 0 "[ . 1 . 2]" 1
763 1 51 MET ME 1 60 GLY HA2 6.752 . 7.752 3.499 2.551 4.638 . 0 0 "[ . 1 . 2]" 1
764 1 66 GLU HA 1 69 ASP HB3 3.700 2.900 3.700 3.394 2.745 3.801 0.155 17 0 "[ . 1 . 2]" 1
765 1 66 GLU HA 1 69 ASP HB2 3.700 2.900 3.700 3.523 2.692 3.814 0.208 17 0 "[ . 1 . 2]" 1
766 1 62 ILE HA 1 66 GLU HB2 5.000 3.700 5.000 3.910 3.571 4.181 0.129 17 0 "[ . 1 . 2]" 1
767 1 54 ALA HA 1 56 GLU HG3 5.000 3.700 5.000 4.815 3.884 5.118 0.118 13 0 "[ . 1 . 2]" 1
768 1 54 ALA HA 1 56 GLU HG2 5.000 3.700 5.000 4.512 3.803 5.073 0.073 2 0 "[ . 1 . 2]" 1
769 1 10 ILE MD 1 68 MET HA 5.000 3.700 6.000 4.632 2.653 5.248 1.047 10 3 "[ - * + . 2]" 1
770 1 10 ILE HG13 1 68 MET HA 5.000 3.700 5.000 4.665 3.581 5.418 0.418 10 0 "[ . 1 . 2]" 1
771 1 10 ILE HG12 1 68 MET HA 5.000 3.700 5.000 3.811 3.504 4.991 0.196 12 0 "[ . 1 . 2]" 1
772 1 15 LYS QE 1 68 MET ME 5.000 3.700 7.000 4.661 3.250 5.229 0.450 20 0 "[ . 1 . 2]" 1
773 1 10 ILE MD 1 68 MET ME 3.700 2.900 5.700 2.998 1.907 4.000 0.993 10 4 "[ * . *+ - . 2]" 1
774 1 10 ILE HB 1 68 MET HB3 6.768 . 6.768 5.241 3.552 6.961 0.193 9 0 "[ . 1 . 2]" 1
775 1 15 LYS QG 1 68 MET HB3 6.768 . 7.768 7.461 6.496 8.371 0.603 9 3 "[ -. +1 *. 2]" 1
776 1 54 ALA MB 1 62 ILE MD 2.900 . 4.900 2.282 1.945 2.701 . 0 0 "[ . 1 . 2]" 1
777 1 54 ALA MB 1 70 LEU QD 2.900 . 4.900 2.719 2.201 2.857 . 0 0 "[ . 1 . 2]" 1
778 1 54 ALA HA 1 70 LEU QD 3.700 2.900 4.700 2.054 1.780 2.354 1.120 2 20 [*+*************-****] 1
779 1 54 ALA HA 1 62 ILE MD 5.000 3.700 6.000 4.075 3.523 4.542 0.177 12 0 "[ . 1 . 2]" 1
780 1 11 LEU HB3 1 64 ILE MG 5.000 3.700 6.000 4.788 3.242 5.111 0.458 13 0 "[ . 1 . 2]" 1
781 1 11 LEU HB2 1 64 ILE MG 5.000 3.700 6.000 4.588 3.684 5.180 0.016 1 0 "[ . 1 . 2]" 1
782 1 11 LEU HB3 1 64 ILE MD 6.729 . 7.729 5.773 4.709 6.313 . 0 0 "[ . 1 . 2]" 1
783 1 10 ILE HG13 1 71 ILE MG 5.340 . 6.340 3.593 2.140 5.006 . 0 0 "[ . 1 . 2]" 1
784 1 10 ILE HG13 1 71 ILE HG12 7.066 . 7.066 5.283 3.363 7.113 0.047 5 0 "[ . 1 . 2]" 1
785 1 50 ALA MB 1 51 MET H 3.700 2.900 4.700 2.739 2.664 2.818 0.236 13 0 "[ . 1 . 2]" 1
786 1 50 ALA HA 1 53 GLU HB3 5.000 2.900 5.000 3.632 2.858 4.740 0.042 8 0 "[ . 1 . 2]" 1
787 1 50 ALA HA 1 53 GLU HB2 5.000 2.900 5.000 3.746 2.855 5.069 0.069 1 0 "[ . 1 . 2]" 1
788 1 22 ASP HA 1 67 PHE HA 18.000 14.000 18.000 16.453 13.914 17.279 0.086 6 0 "[ . 1 . 2]" 1
789 1 20 ASN HA 1 30 PHE HA 12.000 8.000 12.000 11.966 11.113 12.256 0.256 19 0 "[ . 1 . 2]" 1
790 1 18 ASP HB2 1 25 ILE HG13 7.120 . 7.120 2.998 2.381 3.669 . 0 0 "[ . 1 . 2]" 1
791 1 23 GLY HA3 1 64 ILE MD 3.700 . 4.700 3.176 2.317 3.815 . 0 0 "[ . 1 . 2]" 1
792 1 23 GLY HA2 1 64 ILE MD 3.700 . 4.700 2.685 2.197 3.423 . 0 0 "[ . 1 . 2]" 1
793 1 15 LYS QE 1 64 ILE HG13 6.748 . 7.748 4.691 3.645 5.467 . 0 0 "[ . 1 . 2]" 1
794 1 15 LYS QE 1 64 ILE MD 2.900 . 4.900 2.244 1.699 3.288 0.101 3 0 "[ . 1 . 2]" 1
795 1 10 ILE MG 1 67 PHE HZ 3.700 2.900 4.700 3.582 2.915 4.020 . 0 0 "[ . 1 . 2]" 1
796 1 10 ILE MG 1 67 PHE QE 2.900 . 5.900 2.135 1.563 3.339 0.237 19 0 "[ . 1 . 2]" 1
797 1 10 ILE HA 1 67 PHE HZ 3.700 2.900 3.700 3.399 2.794 4.046 0.346 19 0 "[ . 1 . 2]" 1
798 1 21 GLY HA3 1 22 ASP H 3.700 2.900 3.700 3.511 3.355 3.671 . 0 0 "[ . 1 . 2]" 1
799 1 21 GLY HA2 1 22 ASP H 3.700 2.900 3.700 3.272 2.978 3.469 . 0 0 "[ . 1 . 2]" 1
800 1 17 PHE HZ 1 30 PHE HA 2.900 . 2.900 2.906 2.415 3.011 0.111 12 0 "[ . 1 . 2]" 1
801 1 17 PHE HZ 1 30 PHE HB3 5.000 3.700 5.000 4.683 4.317 4.844 . 0 0 "[ . 1 . 2]" 1
802 1 17 PHE HZ 1 30 PHE HB2 5.000 3.700 5.000 4.328 3.637 5.034 0.063 15 0 "[ . 1 . 2]" 1
803 1 25 ILE MG 1 26 ASP HA 5.000 3.700 6.000 3.654 3.503 3.872 0.197 7 0 "[ . 1 . 2]" 1
804 1 10 ILE HG13 1 68 MET ME 3.700 2.900 4.700 3.777 2.708 4.244 0.192 5 0 "[ . 1 . 2]" 1
805 1 19 ALA H 1 29 GLU HG2 5.000 2.900 5.000 3.972 2.769 5.172 0.172 2 0 "[ . 1 . 2]" 1
806 1 56 GLU H 1 66 GLU HB3 5.424 . 5.424 3.015 2.065 3.889 . 0 0 "[ . 1 . 2]" 1
807 1 56 GLU H 1 66 GLU HG2 5.000 . 5.000 4.496 3.308 5.319 0.319 2 0 "[ . 1 . 2]" 1
808 1 25 ILE HB 1 62 ILE HB 2.900 . 2.900 2.562 2.300 2.903 0.003 18 0 "[ . 1 . 2]" 1
809 1 18 ASP HA 1 25 ILE HG12 3.700 . 3.700 2.340 2.089 2.683 . 0 0 "[ . 1 . 2]" 1
810 1 18 ASP HA 1 25 ILE HG13 3.700 . 3.700 2.842 2.236 3.413 . 0 0 "[ . 1 . 2]" 1
811 1 18 ASP HA 1 23 GLY HA2 6.736 . 6.736 5.820 4.777 7.043 0.307 6 0 "[ . 1 . 2]" 1
812 1 31 LYS HA 1 34 MET HB3 3.700 2.900 3.700 3.416 2.687 3.750 0.213 16 0 "[ . 1 . 2]" 1
813 1 31 LYS HA 1 34 MET HB2 3.700 2.900 3.700 3.624 2.791 3.955 0.255 18 0 "[ . 1 . 2]" 1
814 1 19 ALA HA 1 21 GLY H 5.000 3.700 5.000 4.350 3.812 5.534 0.534 13 1 "[ . 1 + . 2]" 1
815 1 18 ASP HB3 1 21 GLY H 5.000 3.700 5.000 4.861 4.290 5.228 0.228 1 0 "[ . 1 . 2]" 1
816 1 18 ASP HB2 1 21 GLY H 5.000 3.700 5.000 5.072 4.792 5.389 0.389 6 0 "[ . 1 . 2]" 1
817 1 18 ASP HB3 1 21 GLY HA2 8.357 . 8.357 5.538 4.061 7.426 . 0 0 "[ . 1 . 2]" 1
818 1 23 GLY H 1 24 VAL QG 5.000 3.700 6.000 4.352 3.288 4.773 0.412 13 0 "[ . 1 . 2]" 1
819 1 18 ASP H 1 25 ILE HG12 5.000 2.900 5.000 3.704 3.409 3.976 . 0 0 "[ . 1 . 2]" 1
820 1 16 VAL HA 1 18 ASP H 4.600 4.200 4.600 4.367 4.197 4.585 0.003 14 0 "[ . 1 . 2]" 1
821 1 14 PHE HA 1 18 ASP H 5.000 3.700 5.000 4.223 3.888 4.536 . 0 0 "[ . 1 . 2]" 1
822 1 14 PHE QE 1 18 ASP H 5.000 3.700 7.000 4.711 4.098 5.145 . 0 0 "[ . 1 . 2]" 1
823 1 14 PHE QD 1 18 ASP H 3.700 2.900 5.700 4.196 3.626 4.553 . 0 0 "[ . 1 . 2]" 1
824 1 35 GLN QG 1 42 LEU QB 5.000 3.700 5.000 3.533 2.501 4.090 1.199 17 6 "[ - . * * .*+* 2]" 1
825 1 34 MET QG 1 41 PRO QG 5.000 3.700 5.000 3.265 2.314 4.213 1.386 13 8 "[ .** * +*.* * -]" 1
826 1 40 GLU QG 1 42 LEU QB 5.000 3.700 5.000 3.514 2.208 4.256 1.492 9 5 "[ * . * +1 .- * 2]" 1
827 1 40 GLU HA 1 42 LEU QB 5.000 3.700 5.000 4.334 3.080 4.772 0.620 13 1 "[ . 1 + . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 832
_Distance_constraint_stats_list.Viol_total 1326.322
_Distance_constraint_stats_list.Viol_max 0.650
_Distance_constraint_stats_list.Viol_rms 0.0722
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0518
_Distance_constraint_stats_list.Viol_average_violations_only 0.0797
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 7 GLU 2.679 0.279 16 0 "[ . 1 . 2]"
1 8 GLU 2.054 0.170 15 0 "[ . 1 . 2]"
1 9 GLU 2.999 0.295 5 0 "[ . 1 . 2]"
1 10 ILE 0.493 0.070 20 0 "[ . 1 . 2]"
1 11 LEU 5.223 0.279 16 0 "[ . 1 . 2]"
1 12 ARG 5.336 0.183 5 0 "[ . 1 . 2]"
1 13 ALA 4.427 0.295 5 0 "[ . 1 . 2]"
1 14 PHE 0.493 0.070 20 0 "[ . 1 . 2]"
1 15 LYS 2.544 0.175 10 0 "[ . 1 . 2]"
1 16 VAL 3.281 0.183 5 0 "[ . 1 . 2]"
1 17 PHE 1.428 0.127 9 0 "[ . 1 . 2]"
1 18 ASP 0.812 0.235 13 0 "[ . 1 . 2]"
1 20 ASN 2.483 0.450 13 0 "[ . 1 . 2]"
1 22 ASP 8.937 0.650 6 2 "[ .+ 1 * . 2]"
1 23 GLY 0.812 0.235 13 0 "[ . 1 . 2]"
1 24 VAL 6.454 0.650 6 2 "[ .+ 1 * . 2]"
1 25 ILE 0.267 0.049 13 0 "[ . 1 . 2]"
1 27 PHE 1.614 0.100 6 0 "[ . 1 . 2]"
1 28 ASP 2.877 0.151 2 0 "[ . 1 . 2]"
1 29 GLU 1.285 0.209 16 0 "[ . 1 . 2]"
1 30 PHE 2.296 0.199 9 0 "[ . 1 . 2]"
1 31 LYS 1.614 0.100 6 0 "[ . 1 . 2]"
1 32 PHE 2.877 0.151 2 0 "[ . 1 . 2]"
1 33 ILE 1.285 0.209 16 0 "[ . 1 . 2]"
1 34 MET 2.296 0.199 9 0 "[ . 1 . 2]"
1 44 ASP 0.540 0.140 10 0 "[ . 1 . 2]"
1 45 ALA 1.739 0.106 8 0 "[ . 1 . 2]"
1 46 GLU 3.219 0.166 5 0 "[ . 1 . 2]"
1 47 VAL 2.026 0.121 2 0 "[ . 1 . 2]"
1 48 GLU 0.793 0.140 10 0 "[ . 1 . 2]"
1 49 GLU 3.003 0.106 8 0 "[ . 1 . 2]"
1 50 ALA 6.339 0.170 5 0 "[ . 1 . 2]"
1 51 MET 2.026 0.121 2 0 "[ . 1 . 2]"
1 52 LYS 0.253 0.046 1 0 "[ . 1 . 2]"
1 53 GLU 1.264 0.106 18 0 "[ . 1 . 2]"
1 54 ALA 3.120 0.170 5 0 "[ . 1 . 2]"
1 55 ASP 4.376 0.447 12 0 "[ . 1 . 2]"
1 57 ASP 3.761 0.299 11 0 "[ . 1 . 2]"
1 59 ASN 5.209 0.299 11 0 "[ . 1 . 2]"
1 60 GLY 4.328 0.447 12 0 "[ . 1 . 2]"
1 61 VAL 1.496 0.247 9 0 "[ . 1 . 2]"
1 62 ILE 0.267 0.049 13 0 "[ . 1 . 2]"
1 63 ASP 1.134 0.075 17 0 "[ . 1 . 2]"
1 66 GLU 1.999 0.116 17 0 "[ . 1 . 2]"
1 67 PHE 4.277 0.296 13 0 "[ . 1 . 2]"
1 68 MET 1.696 0.462 17 0 "[ . 1 . 2]"
1 69 ASP 3.030 0.450 17 0 "[ . 1 . 2]"
1 70 LEU 0.865 0.116 17 0 "[ . 1 . 2]"
1 71 ILE 4.277 0.296 13 0 "[ . 1 . 2]"
1 72 LYS 1.696 0.462 17 0 "[ . 1 . 2]"
1 73 LYS 3.030 0.450 17 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 25 ILE O 1 62 ILE H . . 2.000 1.941 1.773 2.049 0.049 13 0 "[ . 1 . 2]" 2
2 1 25 ILE O 1 62 ILE N . 2.700 3.000 2.925 2.797 3.020 0.020 13 0 "[ . 1 . 2]" 2
3 1 25 ILE H 1 62 ILE O . . 2.000 1.846 1.771 2.004 0.029 18 0 "[ . 1 . 2]" 2
4 1 25 ILE N 1 62 ILE O . 2.700 3.000 2.847 2.782 2.967 . 0 0 "[ . 1 . 2]" 2
5 1 18 ASP OD1 1 23 GLY H . . 2.300 2.223 1.834 2.535 0.235 13 0 "[ . 1 . 2]" 2
6 1 18 ASP OD1 1 23 GLY N . 2.800 3.300 2.914 2.681 3.257 0.119 12 0 "[ . 1 . 2]" 2
7 1 55 ASP OD1 1 60 GLY H . . 2.300 1.913 1.537 2.467 0.263 12 0 "[ . 1 . 2]" 2
8 1 55 ASP OD1 1 60 GLY N . 2.800 3.300 2.692 2.353 3.036 0.447 12 0 "[ . 1 . 2]" 2
9 1 7 GLU O 1 11 LEU H . . 2.000 2.030 1.753 2.272 0.272 16 0 "[ . 1 . 2]" 2
10 1 7 GLU O 1 11 LEU N . 2.700 3.000 3.017 2.727 3.279 0.279 16 0 "[ . 1 . 2]" 2
11 1 8 GLU O 1 12 ARG H . . 2.000 2.085 2.006 2.170 0.170 15 0 "[ . 1 . 2]" 2
12 1 8 GLU O 1 12 ARG N . 2.700 3.000 2.990 2.868 3.092 0.092 12 0 "[ . 1 . 2]" 2
13 1 9 GLU O 1 13 ALA H . . 2.000 2.071 1.895 2.269 0.269 5 0 "[ . 1 . 2]" 2
14 1 9 GLU O 1 13 ALA N . 2.700 3.000 3.044 2.734 3.295 0.295 5 0 "[ . 1 . 2]" 2
15 1 10 ILE O 1 14 PHE H . . 2.000 1.947 1.772 2.051 0.051 20 0 "[ . 1 . 2]" 2
16 1 10 ILE O 1 14 PHE N . 2.700 3.000 2.936 2.760 3.070 0.070 20 0 "[ . 1 . 2]" 2
17 1 11 LEU O 1 15 LYS H . . 2.000 2.117 2.009 2.175 0.175 10 0 "[ . 1 . 2]" 2
18 1 11 LEU O 1 15 LYS N . 2.700 3.000 2.960 2.807 3.068 0.068 16 0 "[ . 1 . 2]" 2
19 1 12 ARG O 1 16 VAL N . 2.700 3.000 3.047 3.001 3.122 0.122 13 0 "[ . 1 . 2]" 2
20 1 12 ARG O 1 16 VAL H . . 2.000 2.117 2.054 2.183 0.183 5 0 "[ . 1 . 2]" 2
21 1 13 ALA O 1 17 PHE H . . 2.000 2.035 1.909 2.114 0.114 9 0 "[ . 1 . 2]" 2
22 1 13 ALA O 1 17 PHE N . 2.700 3.000 3.003 2.867 3.127 0.127 9 0 "[ . 1 . 2]" 2
23 1 27 PHE O 1 31 LYS H . . 2.000 2.038 1.973 2.083 0.083 7 0 "[ . 1 . 2]" 2
24 1 27 PHE O 1 31 LYS N . 2.700 3.000 3.030 2.932 3.100 0.100 6 0 "[ . 1 . 2]" 2
25 1 28 ASP O 1 32 PHE H . . 2.000 2.086 2.014 2.137 0.137 3 0 "[ . 1 . 2]" 2
26 1 28 ASP O 1 32 PHE N . 2.700 3.000 3.058 3.001 3.151 0.151 2 0 "[ . 1 . 2]" 2
27 1 29 GLU O 1 33 ILE N . 2.700 3.000 2.993 2.821 3.169 0.169 16 0 "[ . 1 . 2]" 2
28 1 29 GLU O 1 33 ILE H . . 2.000 2.025 1.841 2.209 0.209 16 0 "[ . 1 . 2]" 2
29 1 30 PHE O 1 34 MET H . . 2.000 2.100 1.986 2.199 0.199 9 0 "[ . 1 . 2]" 2
30 1 30 PHE O 1 34 MET N . 2.700 3.000 2.936 2.695 3.137 0.137 13 0 "[ . 1 . 2]" 2
31 1 44 ASP O 1 48 GLU H . . 2.000 1.900 1.778 2.104 0.104 10 0 "[ . 1 . 2]" 2
32 1 44 ASP O 1 48 GLU N . 2.700 3.000 2.907 2.793 3.140 0.140 10 0 "[ . 1 . 2]" 2
33 1 45 ALA O 1 49 GLU H . . 2.000 2.060 1.978 2.106 0.106 8 0 "[ . 1 . 2]" 2
34 1 45 ALA O 1 49 GLU N . 2.700 3.000 3.015 2.933 3.065 0.065 4 0 "[ . 1 . 2]" 2
35 1 46 GLU O 1 50 ALA H . . 2.000 2.084 2.025 2.134 0.134 5 0 "[ . 1 . 2]" 2
36 1 46 GLU O 1 50 ALA N . 2.700 3.000 3.074 2.941 3.166 0.166 5 0 "[ . 1 . 2]" 2
37 1 47 VAL O 1 51 MET H . . 2.000 2.062 1.999 2.121 0.121 2 0 "[ . 1 . 2]" 2
38 1 47 VAL O 1 51 MET N . 2.700 3.000 3.033 2.913 3.098 0.098 2 0 "[ . 1 . 2]" 2
39 1 48 GLU O 1 52 LYS H . . 2.000 1.915 1.783 2.046 0.046 1 0 "[ . 1 . 2]" 2
40 1 48 GLU O 1 52 LYS N . 2.700 3.000 2.906 2.769 3.027 0.027 1 0 "[ . 1 . 2]" 2
41 1 49 GLU O 1 53 GLU H . . 2.000 2.032 1.945 2.091 0.091 18 0 "[ . 1 . 2]" 2
42 1 49 GLU O 1 53 GLU N . 2.700 3.000 3.022 2.919 3.106 0.106 18 0 "[ . 1 . 2]" 2
43 1 50 ALA O 1 54 ALA H . . 2.000 2.083 2.050 2.147 0.147 5 0 "[ . 1 . 2]" 2
44 1 50 ALA O 1 54 ALA N . 2.700 3.000 3.073 3.023 3.170 0.170 5 0 "[ . 1 . 2]" 2
45 1 66 GLU O 1 70 LEU H . . 2.000 2.010 1.817 2.116 0.116 17 0 "[ . 1 . 2]" 2
46 1 66 GLU O 1 70 LEU N . 2.700 3.000 2.949 2.813 3.073 0.073 3 0 "[ . 1 . 2]" 2
47 1 67 PHE O 1 71 ILE H . . 2.000 2.113 2.031 2.296 0.296 13 0 "[ . 1 . 2]" 2
48 1 67 PHE O 1 71 ILE N . 2.700 3.000 3.100 3.012 3.286 0.286 13 0 "[ . 1 . 2]" 2
49 1 68 MET O 1 72 LYS H . . 2.000 1.998 1.790 2.462 0.462 17 0 "[ . 1 . 2]" 2
50 1 68 MET O 1 72 LYS N . 2.700 3.000 2.953 2.695 3.256 0.256 17 0 "[ . 1 . 2]" 2
51 1 69 ASP O 1 73 LYS N . 2.700 3.000 2.981 2.749 3.354 0.354 17 0 "[ . 1 . 2]" 2
52 1 69 ASP O 1 73 LYS H . . 2.000 2.101 1.972 2.450 0.450 17 0 "[ . 1 . 2]" 2
53 1 20 ASN OD1 1 22 ASP H . . 2.500 2.613 2.508 2.950 0.450 13 0 "[ . 1 . 2]" 2
54 1 20 ASN OD1 1 22 ASP N . 2.700 3.500 3.412 3.175 3.628 0.128 13 0 "[ . 1 . 2]" 2
55 1 22 ASP OD1 1 24 VAL H . . 2.500 2.711 2.494 3.150 0.650 6 2 "[ .+ 1 - . 2]" 2
56 1 22 ASP OD1 1 24 VAL N . 2.700 3.500 3.558 3.251 4.051 0.551 6 1 "[ .+ 1 . 2]" 2
57 1 55 ASP OD1 1 57 ASP H . . 2.500 2.164 2.000 2.548 0.048 18 0 "[ . 1 . 2]" 2
58 1 55 ASP OD1 1 57 ASP N . 2.700 3.500 3.056 2.940 3.198 . 0 0 "[ . 1 . 2]" 2
59 1 57 ASP OD1 1 59 ASN H . . 2.500 2.627 2.300 2.799 0.299 11 0 "[ . 1 . 2]" 2
60 1 57 ASP OD1 1 59 ASN N . 2.700 3.500 3.479 3.151 3.769 0.269 13 0 "[ . 1 . 2]" 2
61 1 59 ASN OD1 1 61 VAL H . . 2.500 2.561 2.486 2.747 0.247 9 0 "[ . 1 . 2]" 2
62 1 59 ASN OD1 1 61 VAL N . 2.700 3.500 3.444 3.196 3.680 0.180 9 0 "[ . 1 . 2]" 2
63 1 63 ASP OD1 1 66 GLU H . . 2.500 2.526 2.276 2.572 0.072 17 0 "[ . 1 . 2]" 2
64 1 63 ASP OD1 1 66 GLU N . 2.700 3.500 3.495 3.245 3.575 0.075 17 0 "[ . 1 . 2]" 2
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