NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587376 |
2mk6   |
19755 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mk6
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 1084
_Distance_constraint_stats_list.Viol_count 3637
_Distance_constraint_stats_list.Viol_total 20310.258
_Distance_constraint_stats_list.Viol_max 2.986
_Distance_constraint_stats_list.Viol_rms 0.2164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0468
_Distance_constraint_stats_list.Viol_average_violations_only 0.2792
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 2.747 0.862 18 2 "[ .- 1 . + 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 63.521 1.753 15 20 [**************+**-**]
1 4 GLU 14.460 0.785 14 5 "[* *- 1 +* 2]"
1 5 ARG 48.750 1.753 15 20 [-*************+*****]
1 6 ILE 146.603 2.630 4 20 [***+************-***]
1 7 ASN 37.046 1.463 5 20 [**-*+***************]
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 HIS 2.811 0.167 9 0 "[ . 1 . 2]"
1 10 THR 47.498 1.699 16 20 [***************+-***]
1 11 VAL 56.445 2.630 4 20 [***+-***************]
1 12 LYS 13.346 0.643 1 20 [+*-*****************]
1 13 PHE 30.093 1.502 13 19 "[-** ********+*******]"
1 14 TYR 31.072 1.077 6 20 [*****+*****-********]
1 15 MET 25.362 0.759 19 18 "[***** ***1*******-+*]"
1 16 SER 21.098 0.759 19 18 "[***** ***1*******-+*]"
1 17 TYR 31.255 1.109 3 20 [**+******-**********]
1 18 GLY 4.046 0.210 12 0 "[ . 1 . 2]"
1 19 ASP 0.094 0.047 8 0 "[ . 1 . 2]"
1 20 ILE 54.308 2.016 4 20 [***+**************-*]
1 21 GLU 35.251 1.267 16 20 [*****-*********+****]
1 22 ASP 41.476 2.014 5 20 [****+**********-****]
1 23 ARG 50.725 2.014 5 20 [****+-**************]
1 24 GLY 3.552 0.111 3 0 "[ . 1 . 2]"
1 25 PHE 71.485 1.655 17 20 [****************+-**]
1 26 ASP 14.307 0.796 9 19 "[** -****+***********]"
1 27 ARG 2.519 0.147 16 0 "[ . 1 . 2]"
1 28 GLU 4.118 0.109 1 0 "[ . 1 . 2]"
1 29 GLU 19.841 0.615 8 19 "[*** ***+**********-*]"
1 30 ILE 117.175 2.986 17 20 [*****-**********+***]
1 31 TRP 35.043 2.016 4 20 [***+**************-*]
1 32 TYR 18.871 0.882 5 20 [-***+***************]
1 33 ASN 44.376 1.446 3 20 [-*+*****************]
1 34 ARG 4.356 0.259 10 0 "[ . 1 . 2]"
1 35 GLU 2.577 0.259 10 0 "[ . 1 . 2]"
1 36 ARG 3.063 0.137 1 0 "[ . 1 . 2]"
1 37 SER 1.202 0.137 1 0 "[ . 1 . 2]"
1 38 GLU 5.571 0.437 3 0 "[ . 1 . 2]"
1 39 GLU 22.649 0.704 17 18 "[ * *********-***+***]"
1 40 LEU 43.343 1.655 17 20 [****************+-**]
1 41 PHE 4.969 0.315 4 0 "[ . 1 . 2]"
1 42 TRP 20.254 1.478 14 13 "[ * ***** -***+* *]"
1 43 GLU 34.818 1.478 14 19 "[ ************+***-**]"
1 44 VAL 17.553 0.586 12 19 "[ **********+*****-**]"
1 45 MET 36.270 1.687 17 16 "[** ******** *** +- *]"
1 46 ASP 10.534 0.271 1 0 "[ . 1 . 2]"
1 47 GLU 3.728 0.139 18 0 "[ . 1 . 2]"
1 48 VAL 48.906 2.099 15 20 [**************+**-**]
1 49 HIS 26.827 1.931 8 17 "[** ** *+*******-** *]"
1 50 GLU 3.577 0.171 2 0 "[ . 1 . 2]"
1 51 GLU 37.627 2.099 15 19 "[******** *****+**-**]"
1 52 GLU 1.675 0.104 10 0 "[ . 1 . 2]"
1 53 GLU 23.016 1.931 8 17 "[** ** *+*******-** *]"
1 54 PHE 30.305 1.725 2 20 [*+****************-*]
1 55 ALA 32.084 1.725 2 20 [*+****************-*]
1 56 VAL 2.991 0.129 3 0 "[ . 1 . 2]"
1 57 GLU 1.061 0.760 9 1 "[ . +1 . 2]"
1 58 GLY 1.176 0.760 9 1 "[ . +1 . 2]"
1 59 PRO 1.016 0.139 9 0 "[ . 1 . 2]"
1 60 LEU 1.144 0.107 19 0 "[ . 1 . 2]"
1 61 TRP 8.896 0.168 9 0 "[ . 1 . 2]"
1 62 ILE 2.612 0.347 9 0 "[ . 1 . 2]"
1 63 GLN 16.899 1.519 3 16 "[**+** ***1***** -* *]"
1 64 VAL 19.859 1.070 8 20 [*******+*********-**]
1 65 GLN 13.626 0.648 11 5 "[ * . * 1+* . - 2]"
1 66 ALA 3.413 0.376 10 0 "[ . 1 . 2]"
1 67 LEU 5.217 0.169 16 0 "[ . 1 . 2]"
1 68 ASP 19.466 1.109 3 20 [**+******-**********]
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.155 0.120 18 0 "[ . 1 . 2]"
1 71 LEU 9.858 0.605 17 3 "[- . 1 * . + 2]"
1 72 GLU 61.763 1.077 6 20 [*****+***********-**]
1 73 ILE 64.783 2.986 17 20 [**-*************+***]
1 74 ILE 18.924 1.519 3 16 "[**+** ***1***** -* *]"
1 75 VAL 5.757 0.158 17 0 "[ . 1 . 2]"
1 76 THR 17.112 0.639 19 7 "[* * . * * . - +*]"
1 77 LYS 1.274 0.117 10 0 "[ . 1 . 2]"
1 78 ALA 0.443 0.139 9 0 "[ . 1 . 2]"
1 79 GLN 0.056 0.022 19 0 "[ . 1 . 2]"
1 81 SER 0.763 0.077 12 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 22.969 1.577 20 19 [********-*****.****+]
1 84 LEU 29.946 1.577 20 19 [********-*****.****+]
1 85 ASP 5.110 0.977 18 4 "[ - * 1 * . + 2]"
1 86 LYS 5.561 0.223 6 0 "[ . 1 . 2]"
1 87 LEU 12.425 1.169 18 14 "[* * * **-** *.**+**]"
1 88 VAL 30.519 1.603 4 20 [***+*-**************]
1 89 PRO 30.817 1.603 4 20 [***+*-**************]
1 90 ARG 3.380 0.274 19 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 1 MET HA 1 1 MET ME . . 4.490 4.273 4.160 4.522 0.032 10 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QG . . 3.910 3.264 2.388 3.416 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 GLU H . . 3.930 2.536 2.145 2.775 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 3 ILE MD . . 3.850 3.786 2.984 4.712 0.862 18 2 "[ .- 1 . + 2]" 1
5 1 1 MET QB 1 16 SER H . . 4.880 3.940 3.480 4.274 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 1 MET QG . . 3.310 2.381 2.197 2.498 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 3 ILE MD . . 2.820 2.317 2.058 2.545 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 13 PHE QB . . 4.060 2.569 2.200 2.948 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 13 PHE QD . . 3.610 2.290 2.212 2.408 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 13 PHE QE . . 3.520 2.757 2.410 3.040 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 15 MET H . . 5.000 4.939 4.665 5.084 0.084 18 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 44 VAL HA . . 5.690 4.117 3.950 4.302 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET ME 1 44 VAL QG . . 3.670 1.947 1.847 2.495 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU H 1 2 GLU HA . . 3.100 2.986 2.976 2.998 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU H 1 2 GLU QB . . 3.170 2.243 2.141 2.484 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU HA 1 2 GLU QG . . 3.600 2.413 2.179 2.529 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU HA 1 3 ILE H . . 3.130 2.325 2.262 2.378 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU HA 1 14 TYR H . . 4.650 4.519 4.405 4.608 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QB 1 3 ILE H . . 4.720 3.784 3.480 4.036 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU QB 1 14 TYR H . . 3.850 2.771 2.587 2.890 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLU QB 1 14 TYR HA . . 4.720 4.379 4.265 4.452 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLU QB 1 14 TYR QB . . 4.240 2.166 2.018 2.240 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLU QB 1 14 TYR QD . . 3.260 2.261 2.151 2.376 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLU QG 1 3 ILE H . . 4.650 4.241 3.060 4.589 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLU QG 1 14 TYR QB . . 5.210 3.666 3.448 4.176 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLU QG 1 14 TYR QD . . 4.480 3.145 2.770 4.108 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE H 1 3 ILE HB . . 3.950 2.571 2.286 2.686 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE H 1 3 ILE MD . . 3.620 3.345 2.319 3.680 0.060 6 0 "[ . 1 . 2]" 1
29 1 3 ILE H 1 3 ILE QG . . 4.350 2.567 2.044 3.880 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE H 1 14 TYR H . . 5.940 4.798 4.644 4.934 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE HA 1 3 ILE MD . . 3.550 2.401 2.288 2.803 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE HA 1 3 ILE QG . . 3.630 3.038 2.459 3.170 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE HA 1 3 ILE MG . . 3.480 2.398 2.305 2.661 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE HA 1 4 GLU H . . 3.500 2.355 2.268 2.389 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE HA 1 13 PHE HA . . 3.500 2.522 2.329 2.948 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HB 1 3 ILE MD . . 3.000 3.218 2.462 3.316 0.316 18 0 "[ . 1 . 2]" 1
37 1 3 ILE HB 1 4 GLU H . . 4.480 3.939 3.828 4.145 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE MD 1 13 PHE QB . . 3.690 2.124 1.996 2.389 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE MD 1 13 PHE QD . . 4.010 3.555 3.275 3.810 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE MD 1 14 TYR H . . 4.940 4.084 3.583 4.755 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE MD 1 45 MET HA . . 5.850 6.430 5.416 7.537 1.687 17 12 "[* **** ** * * +- *]" 1
42 1 3 ILE MD 1 47 GLU QG . . 4.040 2.775 2.595 3.346 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE QG 1 4 GLU H . . 5.210 4.590 3.725 4.704 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE QG 1 13 PHE QE . . 5.670 6.709 5.066 7.172 1.502 13 18 "[*** ******-*+*** ***]" 1
45 1 3 ILE MG 1 4 GLU HA . . 3.770 3.496 3.342 3.658 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE MG 1 5 ARG QD . . 4.360 5.383 3.154 6.113 1.753 15 18 "[-* **********+*****]" 1
47 1 3 ILE MG 1 13 PHE HA . . 4.650 4.174 3.992 4.612 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE MG 1 13 PHE QD . . 5.210 4.362 4.073 4.676 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU H 1 4 GLU QG . . 3.830 4.101 4.037 4.141 0.311 19 0 "[ . 1 . 2]" 1
50 1 4 GLU H 1 11 VAL QG . . 4.080 4.517 4.328 4.865 0.785 14 5 "[* *- 1 +* 2]" 1
51 1 4 GLU H 1 12 LYS H . . 4.190 3.063 2.929 3.303 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU H 1 13 PHE HA . . 4.110 3.252 3.173 3.349 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU H 1 13 PHE QD . . 5.050 4.951 4.589 5.133 0.083 8 0 "[ . 1 . 2]" 1
54 1 4 GLU HA 1 4 GLU QG . . 3.550 2.848 2.332 3.017 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU HA 1 5 ARG H . . 3.530 2.286 2.193 2.356 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU QB 1 5 ARG H . . 4.540 3.569 3.464 4.032 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU QB 1 12 LYS H . . 4.650 2.895 2.757 3.088 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU QB 1 12 LYS QE . . 4.580 3.050 2.933 3.225 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU QB 1 12 LYS QG . . 4.130 2.064 1.997 2.139 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU QB 1 13 PHE HA . . 5.030 3.757 3.272 4.021 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU QG 1 5 ARG H . . 3.840 2.490 2.309 3.417 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU QG 1 6 ILE HA . . 4.430 3.360 3.230 3.579 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU QG 1 6 ILE MD . . 3.420 2.020 1.949 2.074 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU QG 1 6 ILE HG12 . . 5.850 3.642 3.238 4.230 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU QG 1 12 LYS H . . 4.870 3.959 3.828 4.174 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU QG 1 12 LYS QB . . 6.080 4.636 4.485 4.889 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU QG 1 12 LYS QG . . 4.460 2.903 2.722 3.200 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG H 1 5 ARG HB2 . . 3.820 2.880 2.221 3.218 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG H 1 5 ARG HB3 . . 4.040 2.755 2.274 3.719 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG H 1 5 ARG HG2 . . 5.210 4.535 2.722 4.900 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG H 1 5 ARG HG3 . . 4.720 4.474 4.054 4.804 0.084 15 0 "[ . 1 . 2]" 1
72 1 5 ARG H 1 6 ILE H . . 4.690 4.068 3.781 4.533 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG HA 1 5 ARG QD . . 4.270 2.415 2.196 3.282 . 0 0 "[ . 1 . 2]" 1
74 1 5 ARG HA 1 5 ARG HG2 . . 3.740 3.354 2.300 3.854 0.114 13 0 "[ . 1 . 2]" 1
75 1 5 ARG HA 1 5 ARG HG3 . . 3.470 3.284 2.847 3.647 0.177 3 0 "[ . 1 . 2]" 1
76 1 5 ARG HA 1 6 ILE H . . 2.860 2.298 2.173 2.364 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG HA 1 6 ILE HA . . 4.750 4.544 4.471 4.631 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG HA 1 6 ILE HG12 . . 5.210 3.948 3.744 4.109 . 0 0 "[ . 1 . 2]" 1
79 1 5 ARG HA 1 6 ILE MG . . 4.410 5.578 5.513 5.612 1.202 1 20 [+***************-***] 1
80 1 5 ARG HB2 1 6 ILE H . . 5.430 4.632 4.243 4.726 . 0 0 "[ . 1 . 2]" 1
81 1 5 ARG QD 1 6 ILE H . . 4.410 3.416 2.785 4.065 . 0 0 "[ . 1 . 2]" 1
82 1 5 ARG QD 1 7 ASN H . . 4.300 3.380 2.663 5.358 1.058 3 1 "[ + . 1 . 2]" 1
83 1 5 ARG QD 1 8 GLU HA . . 4.710 3.254 2.387 4.158 . 0 0 "[ . 1 . 2]" 1
84 1 5 ARG QD 1 11 VAL QG . . 5.210 2.330 2.057 3.283 . 0 0 "[ . 1 . 2]" 1
85 1 5 ARG HG3 1 6 ILE H . . 5.210 4.505 3.799 5.409 0.199 3 0 "[ . 1 . 2]" 1
86 1 6 ILE H 1 6 ILE HB . . 2.860 2.497 2.453 2.540 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE H 1 6 ILE MD . . 3.000 2.989 2.873 3.040 0.040 13 0 "[ . 1 . 2]" 1
88 1 6 ILE H 1 6 ILE HG12 . . 3.370 2.049 1.989 2.200 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE H 1 6 ILE HG13 . . 3.370 3.518 3.472 3.637 0.267 3 0 "[ . 1 . 2]" 1
90 1 6 ILE H 1 6 ILE MG . . 3.950 3.760 3.739 3.792 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE H 1 7 ASN H . . 3.280 2.570 2.427 2.671 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE H 1 9 HIS H . . 5.940 5.962 5.731 6.107 0.167 9 0 "[ . 1 . 2]" 1
93 1 6 ILE H 1 10 THR HB . . 4.300 4.327 4.272 4.363 0.063 4 0 "[ . 1 . 2]" 1
94 1 6 ILE H 1 10 THR MG . . 4.540 3.978 3.865 4.075 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE H 1 11 VAL HA . . 3.370 2.290 2.101 2.456 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE H 1 11 VAL QG . . 5.940 3.229 2.907 3.500 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE H 1 12 LYS H . . 3.780 3.818 3.754 3.871 0.091 8 0 "[ . 1 . 2]" 1
98 1 6 ILE HA 1 6 ILE MD . . 3.280 2.162 2.086 2.254 . 0 0 "[ . 1 . 2]" 1
99 1 6 ILE HA 1 6 ILE HG12 . . 3.790 3.299 3.255 3.392 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE HA 1 6 ILE HG13 . . 3.670 3.763 3.737 3.784 0.114 15 0 "[ . 1 . 2]" 1
101 1 6 ILE HA 1 6 ILE MG . . 3.230 2.423 2.382 2.445 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE HA 1 7 ASN H . . 3.940 3.551 3.519 3.581 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE HA 1 10 THR HB . . 5.500 5.211 5.141 5.269 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE HA 1 10 THR MG . . 5.210 4.998 4.938 5.047 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE HB 1 6 ILE MD . . 3.280 3.263 3.254 3.274 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE HB 1 6 ILE HG12 . . 3.070 2.394 2.365 2.423 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE HB 1 7 ASN H . . 3.520 2.224 2.073 2.265 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE HB 1 7 ASN HA . . 4.570 4.738 4.690 4.780 0.210 13 0 "[ . 1 . 2]" 1
109 1 6 ILE HB 1 10 THR H . . 4.490 3.787 3.584 3.956 . 0 0 "[ . 1 . 2]" 1
110 1 6 ILE HB 1 10 THR HB . . 3.590 2.216 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
111 1 6 ILE HB 1 10 THR MG . . 3.060 2.802 2.719 2.884 . 0 0 "[ . 1 . 2]" 1
112 1 6 ILE MD 1 6 ILE MG . . 2.180 2.181 2.155 2.195 0.015 3 0 "[ . 1 . 2]" 1
113 1 6 ILE MD 1 7 ASN H . . 4.380 4.489 4.466 4.514 0.134 15 0 "[ . 1 . 2]" 1
114 1 6 ILE MD 1 7 ASN HA . . 4.660 6.099 6.077 6.123 1.463 5 20 [****+**********-****] 1
115 1 6 ILE MD 1 10 THR HA . . 4.650 6.209 6.055 6.349 1.699 16 20 [***************+**-*] 1
116 1 6 ILE MD 1 11 VAL H . . 3.100 5.454 5.173 5.730 2.630 4 20 [***+**************-*] 1
117 1 6 ILE MD 1 11 VAL HA . . 4.780 3.908 3.511 4.264 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE HG12 1 6 ILE MG . . 3.550 3.235 3.216 3.252 . 0 0 "[ . 1 . 2]" 1
119 1 6 ILE HG12 1 7 ASN H . . 4.410 3.889 3.823 3.935 . 0 0 "[ . 1 . 2]" 1
120 1 6 ILE HG12 1 10 THR HB . . 3.920 3.923 3.784 3.962 0.042 4 0 "[ . 1 . 2]" 1
121 1 6 ILE HG12 1 10 THR MG . . 3.080 2.739 2.619 2.868 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE HG12 1 12 LYS H . . 4.860 3.167 2.871 3.332 . 0 0 "[ . 1 . 2]" 1
123 1 6 ILE HG13 1 6 ILE MG . . 3.550 2.284 2.244 2.331 . 0 0 "[ . 1 . 2]" 1
124 1 6 ILE HG13 1 7 ASN H . . 4.540 4.564 4.465 4.584 0.044 14 0 "[ . 1 . 2]" 1
125 1 6 ILE HG13 1 10 THR HB . . 3.400 3.433 3.384 3.469 0.069 8 0 "[ . 1 . 2]" 1
126 1 6 ILE HG13 1 12 LYS H . . 5.270 4.492 4.162 4.675 . 0 0 "[ . 1 . 2]" 1
127 1 6 ILE MG 1 7 ASN H . . 3.850 3.302 3.164 3.400 . 0 0 "[ . 1 . 2]" 1
128 1 6 ILE MG 1 7 ASN QB . . 4.470 2.973 2.827 3.096 . 0 0 "[ . 1 . 2]" 1
129 1 6 ILE MG 1 7 ASN HD21 . . 4.680 4.213 3.525 4.570 . 0 0 "[ . 1 . 2]" 1
130 1 6 ILE MG 1 7 ASN HD22 . . 4.530 4.367 3.642 4.708 0.178 12 0 "[ . 1 . 2]" 1
131 1 6 ILE MG 1 10 THR HB . . 3.560 2.846 2.759 2.947 . 0 0 "[ . 1 . 2]" 1
132 1 6 ILE MG 1 10 THR MG . . 2.780 2.776 2.661 2.823 0.043 2 0 "[ . 1 . 2]" 1
133 1 7 ASN H 1 10 THR H . . 4.050 3.411 3.070 3.717 . 0 0 "[ . 1 . 2]" 1
134 1 7 ASN H 1 10 THR HB . . 4.280 3.417 3.266 3.515 . 0 0 "[ . 1 . 2]" 1
135 1 7 ASN H 1 10 THR MG . . 4.650 4.363 4.279 4.428 . 0 0 "[ . 1 . 2]" 1
136 1 7 ASN H 1 11 VAL HA . . 5.290 4.101 3.971 4.218 . 0 0 "[ . 1 . 2]" 1
137 1 7 ASN HA 1 8 GLU H . . 4.240 2.830 2.671 3.078 . 0 0 "[ . 1 . 2]" 1
138 1 7 ASN HA 1 9 HIS H . . 5.210 4.382 4.270 4.478 . 0 0 "[ . 1 . 2]" 1
139 1 7 ASN QB 1 8 GLU QG . . 6.370 5.631 4.514 6.275 . 0 0 "[ . 1 . 2]" 1
140 1 7 ASN QB 1 9 HIS H . . 3.880 3.654 3.384 3.826 . 0 0 "[ . 1 . 2]" 1
141 1 7 ASN HD21 1 9 HIS H . . 4.540 4.566 4.507 4.604 0.064 15 0 "[ . 1 . 2]" 1
142 1 7 ASN HD22 1 9 HIS H . . 4.540 3.874 3.762 4.069 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLU HA 1 8 GLU QG . . 3.550 2.579 2.311 2.894 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLU HA 1 9 HIS H . . 4.290 3.390 3.199 3.583 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLU QB 1 9 HIS H . . 3.980 3.294 2.922 3.598 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLU QB 1 9 HIS HD2 . . 4.190 3.885 2.060 4.139 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLU QG 1 9 HIS H . . 4.850 4.461 4.148 4.679 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLU QG 1 9 HIS HD2 . . 4.930 3.978 3.317 4.584 . 0 0 "[ . 1 . 2]" 1
149 1 9 HIS H 1 9 HIS HD2 . . 4.760 4.354 3.004 4.656 . 0 0 "[ . 1 . 2]" 1
150 1 9 HIS H 1 10 THR H . . 2.760 2.115 1.902 2.426 . 0 0 "[ . 1 . 2]" 1
151 1 9 HIS H 1 10 THR HA . . 5.840 4.793 4.664 5.074 . 0 0 "[ . 1 . 2]" 1
152 1 9 HIS H 1 10 THR HB . . 4.780 4.330 4.162 4.786 0.006 3 0 "[ . 1 . 2]" 1
153 1 9 HIS HA 1 9 HIS HD2 . . 4.370 2.579 2.366 3.224 . 0 0 "[ . 1 . 2]" 1
154 1 9 HIS HA 1 10 THR H . . 3.610 3.586 3.509 3.637 0.027 16 0 "[ . 1 . 2]" 1
155 1 9 HIS HA 1 77 LYS QD . . 4.920 3.598 3.035 4.366 . 0 0 "[ . 1 . 2]" 1
156 1 9 HIS HA 1 77 LYS HE2 . . 4.150 3.491 1.997 4.267 0.117 10 0 "[ . 1 . 2]" 1
157 1 9 HIS HA 1 77 LYS HE3 . . 4.110 3.185 2.124 4.157 0.047 16 0 "[ . 1 . 2]" 1
158 1 9 HIS HA 1 77 LYS QG . . 5.210 4.168 3.044 4.871 . 0 0 "[ . 1 . 2]" 1
159 1 9 HIS QB 1 10 THR H . . 3.610 2.552 2.335 2.959 . 0 0 "[ . 1 . 2]" 1
160 1 9 HIS QB 1 77 LYS HB2 . . 5.230 2.591 2.200 3.511 . 0 0 "[ . 1 . 2]" 1
161 1 9 HIS HD2 1 55 ALA MB . . 4.250 4.201 3.762 4.298 0.048 4 0 "[ . 1 . 2]" 1
162 1 10 THR H 1 10 THR HB . . 3.210 2.469 2.404 2.554 . 0 0 "[ . 1 . 2]" 1
163 1 10 THR H 1 10 THR MG . . 4.290 3.806 3.760 3.849 . 0 0 "[ . 1 . 2]" 1
164 1 10 THR H 1 11 VAL H . . 4.850 4.496 4.390 4.589 . 0 0 "[ . 1 . 2]" 1
165 1 10 THR H 1 11 VAL QG . . 5.940 4.284 4.072 4.514 . 0 0 "[ . 1 . 2]" 1
166 1 10 THR HA 1 11 VAL H . . 2.370 2.168 2.119 2.215 . 0 0 "[ . 1 . 2]" 1
167 1 10 THR HA 1 76 THR HB . . 4.110 4.091 3.540 4.621 0.511 17 1 "[ . 1 . + 2]" 1
168 1 10 THR HA 1 76 THR MG . . 3.560 3.748 3.116 4.199 0.639 19 6 "[ * . * * . * +-]" 1
169 1 10 THR HB 1 11 VAL H . . 4.050 4.068 4.011 4.087 0.037 11 0 "[ . 1 . 2]" 1
170 1 10 THR HB 1 74 ILE MG . . 4.650 4.769 4.331 4.978 0.328 17 0 "[ . 1 . 2]" 1
171 1 10 THR MG 1 11 VAL H . . 2.580 2.564 2.480 2.614 0.034 15 0 "[ . 1 . 2]" 1
172 1 10 THR MG 1 12 LYS H . . 4.450 4.434 4.303 4.511 0.061 3 0 "[ . 1 . 2]" 1
173 1 10 THR MG 1 74 ILE HA . . 4.140 4.139 3.970 4.207 0.067 10 0 "[ . 1 . 2]" 1
174 1 10 THR MG 1 74 ILE MG . . 2.950 2.282 2.006 2.482 . 0 0 "[ . 1 . 2]" 1
175 1 10 THR MG 1 75 VAL H . . 4.420 3.221 2.919 3.492 . 0 0 "[ . 1 . 2]" 1
176 1 10 THR MG 1 76 THR HA . . 3.150 2.967 2.406 3.701 0.551 1 1 "[+ . 1 . 2]" 1
177 1 10 THR MG 1 76 THR HB . . 3.870 3.490 2.743 3.885 0.015 15 0 "[ . 1 . 2]" 1
178 1 11 VAL H 1 11 VAL HB . . 4.050 3.896 3.825 3.965 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL HA 1 12 LYS H . . 3.900 2.422 2.379 2.481 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL HB 1 12 LYS H . . 4.330 2.689 2.573 2.796 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL QG 1 12 LYS H . . 3.970 3.325 3.275 3.358 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL QG 1 12 LYS HA . . 3.600 3.499 3.397 3.665 0.065 15 0 "[ . 1 . 2]" 1
183 1 11 VAL QG 1 13 PHE QD . . 4.500 3.565 3.320 3.838 . 0 0 "[ . 1 . 2]" 1
184 1 11 VAL QG 1 45 MET ME . . 4.140 2.682 2.168 3.366 . 0 0 "[ . 1 . 2]" 1
185 1 11 VAL QG 1 75 VAL H . . 3.780 3.456 3.161 3.644 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS H 1 12 LYS QB . . 3.810 3.144 3.006 3.226 . 0 0 "[ . 1 . 2]" 1
187 1 12 LYS H 1 12 LYS QE . . 6.080 4.983 4.871 5.093 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS H 1 12 LYS QG . . 4.450 2.859 2.755 3.002 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS HA 1 12 LYS QD . . 3.600 4.216 4.187 4.243 0.643 1 20 [+*-*****************] 1
190 1 12 LYS HA 1 12 LYS QG . . 3.820 3.368 3.327 3.389 . 0 0 "[ . 1 . 2]" 1
191 1 12 LYS HA 1 13 PHE H . . 3.700 2.443 2.389 2.482 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS HA 1 13 PHE HA . . 4.650 4.504 4.480 4.535 . 0 0 "[ . 1 . 2]" 1
193 1 12 LYS HA 1 13 PHE QD . . 5.070 3.134 3.005 3.390 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS HA 1 74 ILE HA . . 3.910 2.296 2.172 2.362 . 0 0 "[ . 1 . 2]" 1
195 1 12 LYS HA 1 75 VAL H . . 3.600 3.110 2.975 3.230 . 0 0 "[ . 1 . 2]" 1
196 1 12 LYS QB 1 12 LYS QE . . 3.990 3.462 3.439 3.477 . 0 0 "[ . 1 . 2]" 1
197 1 12 LYS QB 1 13 PHE H . . 4.640 2.469 2.363 2.629 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS QB 1 74 ILE HA . . 3.650 2.245 2.146 2.310 . 0 0 "[ . 1 . 2]" 1
199 1 12 LYS QB 1 74 ILE MG . . 4.650 2.859 2.460 3.080 . 0 0 "[ . 1 . 2]" 1
200 1 12 LYS QB 1 75 VAL H . . 4.100 3.636 3.521 3.772 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS QD 1 74 ILE HA . . 6.080 4.061 3.904 4.161 . 0 0 "[ . 1 . 2]" 1
202 1 12 LYS QD 1 74 ILE MD . . 4.140 2.459 2.221 3.690 . 0 0 "[ . 1 . 2]" 1
203 1 12 LYS QD 1 74 ILE QG . . 4.140 2.418 2.253 2.685 . 0 0 "[ . 1 . 2]" 1
204 1 12 LYS QE 1 72 GLU QG . . 5.850 4.280 4.248 4.339 . 0 0 "[ . 1 . 2]" 1
205 1 12 LYS QG 1 13 PHE HA . . 5.410 3.317 3.097 3.554 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE H 1 72 GLU HA . . 5.850 4.483 4.388 4.547 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE HA 1 13 PHE QD . . 3.700 3.752 3.742 3.763 0.063 15 0 "[ . 1 . 2]" 1
208 1 13 PHE HA 1 14 TYR H . . 3.290 2.392 2.241 2.469 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE QB 1 14 TYR H . . 3.360 2.508 2.362 2.948 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE QB 1 73 ILE MD . . 6.080 4.623 4.200 5.438 . 0 0 "[ . 1 . 2]" 1
211 1 13 PHE QB 1 73 ILE MG . . 5.850 5.327 5.229 5.376 . 0 0 "[ . 1 . 2]" 1
212 1 13 PHE QD 1 14 TYR HA . . 4.140 3.819 3.584 4.096 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE QD 1 15 MET QB . . 4.730 2.419 2.220 2.784 . 0 0 "[ . 1 . 2]" 1
214 1 13 PHE QD 1 15 MET ME . . 4.650 4.523 4.368 4.678 0.028 2 0 "[ . 1 . 2]" 1
215 1 13 PHE QD 1 15 MET QG . . 6.080 4.187 3.914 4.633 . 0 0 "[ . 1 . 2]" 1
216 1 13 PHE QD 1 16 SER H . . 6.670 6.179 5.760 6.452 . 0 0 "[ . 1 . 2]" 1
217 1 13 PHE QD 1 44 VAL QG . . 3.550 2.757 2.336 2.964 . 0 0 "[ . 1 . 2]" 1
218 1 13 PHE QD 1 71 LEU QD . . 5.670 5.949 5.635 6.275 0.605 17 3 "[- . 1 * . + 2]" 1
219 1 13 PHE QD 1 73 ILE H . . 4.420 4.112 3.915 4.270 . 0 0 "[ . 1 . 2]" 1
220 1 13 PHE QE 1 15 MET QB . . 4.350 2.626 2.347 2.908 . 0 0 "[ . 1 . 2]" 1
221 1 13 PHE QE 1 15 MET ME . . 3.780 3.764 3.640 3.847 0.067 12 0 "[ . 1 . 2]" 1
222 1 13 PHE QE 1 15 MET QG . . 6.030 3.967 3.412 4.318 . 0 0 "[ . 1 . 2]" 1
223 1 13 PHE QE 1 40 LEU QD . . 3.180 1.998 1.909 2.090 . 0 0 "[ . 1 . 2]" 1
224 1 13 PHE QE 1 40 LEU HG . . 3.860 3.792 3.548 3.922 0.062 9 0 "[ . 1 . 2]" 1
225 1 13 PHE QE 1 44 VAL QG . . 3.550 2.185 2.098 2.290 . 0 0 "[ . 1 . 2]" 1
226 1 13 PHE QE 1 73 ILE QG . . 3.860 2.769 2.541 3.516 . 0 0 "[ . 1 . 2]" 1
227 1 13 PHE HZ 1 40 LEU HG . . 4.330 4.331 4.108 4.417 0.087 13 0 "[ . 1 . 2]" 1
228 1 13 PHE HZ 1 73 ILE MD . . 3.710 3.389 2.116 3.836 0.126 15 0 "[ . 1 . 2]" 1
229 1 14 TYR H 1 14 TYR QD . . 3.980 4.038 4.020 4.054 0.074 3 0 "[ . 1 . 2]" 1
230 1 14 TYR H 1 15 MET H . . 4.770 4.331 4.212 4.474 . 0 0 "[ . 1 . 2]" 1
231 1 14 TYR HA 1 14 TYR QD . . 2.880 2.676 2.482 2.797 . 0 0 "[ . 1 . 2]" 1
232 1 14 TYR HA 1 14 TYR QE . . 4.780 4.560 4.443 4.632 . 0 0 "[ . 1 . 2]" 1
233 1 14 TYR HA 1 15 MET H . . 2.720 2.180 2.111 2.238 . 0 0 "[ . 1 . 2]" 1
234 1 14 TYR HA 1 15 MET HA . . 4.520 4.458 4.407 4.499 . 0 0 "[ . 1 . 2]" 1
235 1 14 TYR HA 1 15 MET QB . . 4.950 3.781 3.666 3.966 . 0 0 "[ . 1 . 2]" 1
236 1 14 TYR HA 1 67 LEU QD . . 5.210 4.383 4.212 4.479 . 0 0 "[ . 1 . 2]" 1
237 1 14 TYR HA 1 72 GLU H . . 3.670 4.695 4.601 4.747 1.077 6 20 [*****+*****-********] 1
238 1 14 TYR HA 1 72 GLU HA . . 2.960 2.145 2.097 2.191 . 0 0 "[ . 1 . 2]" 1
239 1 14 TYR HA 1 72 GLU QB . . 4.800 4.118 3.959 4.262 . 0 0 "[ . 1 . 2]" 1
240 1 14 TYR HA 1 72 GLU QG . . 3.900 2.988 2.683 3.201 . 0 0 "[ . 1 . 2]" 1
241 1 14 TYR QB 1 14 TYR QE . . 4.510 3.975 3.965 3.986 . 0 0 "[ . 1 . 2]" 1
242 1 14 TYR QB 1 15 MET H . . 4.760 3.670 3.556 3.797 . 0 0 "[ . 1 . 2]" 1
243 1 14 TYR QB 1 72 GLU QB . . 3.820 4.137 4.074 4.250 0.430 4 0 "[ . 1 . 2]" 1
244 1 14 TYR QD 1 15 MET H . . 3.370 3.146 2.953 3.355 . 0 0 "[ . 1 . 2]" 1
245 1 14 TYR QD 1 16 SER H . . 5.290 4.319 4.105 4.634 . 0 0 "[ . 1 . 2]" 1
246 1 14 TYR QD 1 16 SER QB . . 5.670 5.271 4.440 5.388 . 0 0 "[ . 1 . 2]" 1
247 1 14 TYR QD 1 72 GLU HA . . 4.030 2.869 2.758 2.971 . 0 0 "[ . 1 . 2]" 1
248 1 14 TYR QD 1 72 GLU QB . . 4.770 3.770 3.648 3.814 . 0 0 "[ . 1 . 2]" 1
249 1 14 TYR QD 1 72 GLU QG . . 3.370 2.104 2.062 2.157 . 0 0 "[ . 1 . 2]" 1
250 1 14 TYR QE 1 16 SER HA . . 4.080 3.635 3.535 3.722 . 0 0 "[ . 1 . 2]" 1
251 1 14 TYR QE 1 16 SER QB . . 4.080 3.748 2.761 3.824 . 0 0 "[ . 1 . 2]" 1
252 1 14 TYR QE 1 67 LEU QB . . 3.620 2.497 2.385 2.573 . 0 0 "[ . 1 . 2]" 1
253 1 14 TYR QE 1 70 GLY H . . 4.550 4.177 4.019 4.294 . 0 0 "[ . 1 . 2]" 1
254 1 14 TYR QE 1 70 GLY QA . . 4.440 2.899 2.727 2.970 . 0 0 "[ . 1 . 2]" 1
255 1 14 TYR QE 1 72 GLU HA . . 4.700 4.854 4.826 4.884 0.184 4 0 "[ . 1 . 2]" 1
256 1 15 MET H 1 15 MET QB . . 3.370 2.504 2.425 2.547 . 0 0 "[ . 1 . 2]" 1
257 1 15 MET H 1 15 MET ME . . 5.850 5.889 5.755 5.936 0.086 5 0 "[ . 1 . 2]" 1
258 1 15 MET H 1 16 SER H . . 4.610 4.082 3.929 4.269 . 0 0 "[ . 1 . 2]" 1
259 1 15 MET H 1 72 GLU H . . 4.770 4.890 4.853 4.915 0.145 5 0 "[ . 1 . 2]" 1
260 1 15 MET H 1 72 GLU HA . . 3.610 3.475 3.366 3.574 . 0 0 "[ . 1 . 2]" 1
261 1 15 MET HA 1 16 SER H . . 3.810 2.196 2.033 2.243 . 0 0 "[ . 1 . 2]" 1
262 1 15 MET HA 1 16 SER QB . . 5.110 4.567 4.519 4.610 . 0 0 "[ . 1 . 2]" 1
263 1 15 MET QB 1 16 SER HA . . 4.430 4.801 4.726 4.872 0.442 14 0 "[ . 1 . 2]" 1
264 1 15 MET QB 1 20 ILE MD . . 3.780 2.755 2.596 2.936 . 0 0 "[ . 1 . 2]" 1
265 1 15 MET QB 1 73 ILE MD . . 4.220 2.596 2.200 3.952 . 0 0 "[ . 1 . 2]" 1
266 1 15 MET ME 1 16 SER H . . 4.540 5.189 4.904 5.299 0.759 19 18 "[***** ***1*******-+*]" 1
267 1 15 MET ME 1 19 ASP H . . 5.290 4.991 4.695 5.251 . 0 0 "[ . 1 . 2]" 1
268 1 15 MET ME 1 19 ASP HA . . 5.060 4.600 4.371 4.858 . 0 0 "[ . 1 . 2]" 1
269 1 15 MET ME 1 19 ASP QB . . 3.750 2.583 2.433 2.863 . 0 0 "[ . 1 . 2]" 1
270 1 15 MET ME 1 20 ILE HA . . 3.660 2.939 2.693 3.255 . 0 0 "[ . 1 . 2]" 1
271 1 15 MET ME 1 22 ASP H . . 6.310 5.906 5.672 6.092 . 0 0 "[ . 1 . 2]" 1
272 1 15 MET ME 1 23 ARG H . . 5.680 5.079 4.748 5.498 . 0 0 "[ . 1 . 2]" 1
273 1 15 MET ME 1 40 LEU QD . . 3.420 2.119 1.939 2.333 . 0 0 "[ . 1 . 2]" 1
274 1 15 MET ME 1 43 GLU H . . 5.940 5.978 5.768 6.057 0.117 5 0 "[ . 1 . 2]" 1
275 1 15 MET QG 1 16 SER H . . 4.040 3.257 3.054 3.415 . 0 0 "[ . 1 . 2]" 1
276 1 15 MET QG 1 19 ASP QB . . 4.340 2.335 2.146 2.603 . 0 0 "[ . 1 . 2]" 1
277 1 15 MET QG 1 20 ILE HB . . 5.210 4.211 3.962 4.356 . 0 0 "[ . 1 . 2]" 1
278 1 15 MET QG 1 20 ILE MD . . 3.550 2.228 2.147 2.398 . 0 0 "[ . 1 . 2]" 1
279 1 15 MET QG 1 40 LEU QD . . 4.980 3.501 2.693 3.779 . 0 0 "[ . 1 . 2]" 1
280 1 16 SER H 1 16 SER HA . . 2.980 2.906 2.863 2.948 . 0 0 "[ . 1 . 2]" 1
281 1 16 SER H 1 17 TYR H . . 5.550 4.656 4.598 4.690 . 0 0 "[ . 1 . 2]" 1
282 1 16 SER H 1 19 ASP H . . 4.720 3.927 3.691 4.247 . 0 0 "[ . 1 . 2]" 1
283 1 16 SER H 1 19 ASP QB . . 3.890 2.812 2.454 3.312 . 0 0 "[ . 1 . 2]" 1
284 1 16 SER H 1 20 ILE MD . . 4.770 4.791 4.697 4.844 0.074 1 0 "[ . 1 . 2]" 1
285 1 16 SER HA 1 17 TYR H . . 3.230 2.341 2.268 2.388 . 0 0 "[ . 1 . 2]" 1
286 1 16 SER HA 1 17 TYR HB2 . . 5.850 4.906 4.799 4.972 . 0 0 "[ . 1 . 2]" 1
287 1 16 SER HA 1 17 TYR QD . . 4.870 4.545 4.443 4.683 . 0 0 "[ . 1 . 2]" 1
288 1 16 SER HA 1 70 GLY H . . 4.580 4.527 4.413 4.700 0.120 18 0 "[ . 1 . 2]" 1
289 1 16 SER HA 1 70 GLY QA . . 3.280 2.043 1.976 2.181 . 0 0 "[ . 1 . 2]" 1
290 1 16 SER HA 1 71 LEU QD . . 4.810 4.756 4.718 4.779 . 0 0 "[ . 1 . 2]" 1
291 1 16 SER QB 1 19 ASP QB . . 4.960 3.188 2.867 4.068 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR H 1 17 TYR HB2 . . 4.080 2.600 2.576 2.636 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR H 1 17 TYR HB3 . . 3.940 3.620 3.603 3.633 . 0 0 "[ . 1 . 2]" 1
294 1 17 TYR H 1 17 TYR QD . . 3.920 3.092 3.018 3.164 . 0 0 "[ . 1 . 2]" 1
295 1 17 TYR H 1 17 TYR QE . . 4.680 4.459 4.368 4.532 . 0 0 "[ . 1 . 2]" 1
296 1 17 TYR H 1 69 LYS QB . . 5.940 3.802 3.725 3.940 . 0 0 "[ . 1 . 2]" 1
297 1 17 TYR H 1 70 GLY QA . . 3.560 2.443 2.406 2.544 . 0 0 "[ . 1 . 2]" 1
298 1 17 TYR H 1 71 LEU H . . 4.730 4.820 4.797 4.841 0.111 1 0 "[ . 1 . 2]" 1
299 1 17 TYR H 1 71 LEU QD . . 4.980 4.640 4.572 4.715 . 0 0 "[ . 1 . 2]" 1
300 1 17 TYR HA 1 17 TYR QD . . 3.070 2.096 2.076 2.112 . 0 0 "[ . 1 . 2]" 1
301 1 17 TYR HA 1 17 TYR QE . . 4.330 4.420 4.404 4.434 0.104 11 0 "[ . 1 . 2]" 1
302 1 17 TYR HA 1 18 GLY HA3 . . 5.210 5.329 5.315 5.343 0.133 11 0 "[ . 1 . 2]" 1
303 1 17 TYR HA 1 20 ILE H . . 3.950 3.498 3.374 3.697 . 0 0 "[ . 1 . 2]" 1
304 1 17 TYR HA 1 20 ILE HA . . 5.850 5.622 5.465 5.775 . 0 0 "[ . 1 . 2]" 1
305 1 17 TYR HA 1 20 ILE HB . . 4.050 2.824 2.616 3.044 . 0 0 "[ . 1 . 2]" 1
306 1 17 TYR HA 1 20 ILE MD . . 3.420 2.325 2.174 2.442 . 0 0 "[ . 1 . 2]" 1
307 1 17 TYR HA 1 27 ARG HB3 . . 5.210 3.346 3.099 3.883 . 0 0 "[ . 1 . 2]" 1
308 1 17 TYR HB2 1 17 TYR QD . . 3.440 2.357 2.331 2.376 . 0 0 "[ . 1 . 2]" 1
309 1 17 TYR HB2 1 17 TYR QE . . 4.520 4.421 4.413 4.429 . 0 0 "[ . 1 . 2]" 1
310 1 17 TYR HB2 1 18 GLY HA3 . . 6.370 4.554 4.439 4.727 . 0 0 "[ . 1 . 2]" 1
311 1 17 TYR HB2 1 69 LYS HA . . 5.480 4.506 4.302 4.724 . 0 0 "[ . 1 . 2]" 1
312 1 17 TYR HB3 1 17 TYR QD . . 3.220 2.798 2.784 2.808 . 0 0 "[ . 1 . 2]" 1
313 1 17 TYR HB3 1 17 TYR QE . . 4.720 4.514 4.496 4.536 . 0 0 "[ . 1 . 2]" 1
314 1 17 TYR HB3 1 20 ILE MD . . 5.680 4.376 4.236 4.528 . 0 0 "[ . 1 . 2]" 1
315 1 17 TYR QD 1 20 ILE HB . . 3.970 4.238 4.044 4.388 0.418 20 0 "[ . 1 . 2]" 1
316 1 17 TYR QD 1 27 ARG HD3 . . 4.760 3.297 3.112 3.744 . 0 0 "[ . 1 . 2]" 1
317 1 17 TYR QD 1 68 ASP HA . . 5.850 6.821 6.709 6.959 1.109 3 20 [**+******-**********] 1
318 1 17 TYR QD 1 69 LYS HA . . 3.430 2.822 2.625 3.020 . 0 0 "[ . 1 . 2]" 1
319 1 17 TYR QD 1 69 LYS QD . . 4.500 3.020 2.808 3.223 . 0 0 "[ . 1 . 2]" 1
320 1 17 TYR QD 1 69 LYS QG . . 5.670 4.702 4.566 4.913 . 0 0 "[ . 1 . 2]" 1
321 1 17 TYR QD 1 70 GLY QA . . 4.450 2.834 2.775 2.903 . 0 0 "[ . 1 . 2]" 1
322 1 17 TYR QD 1 71 LEU QD . . 3.130 2.758 2.565 2.929 . 0 0 "[ . 1 . 2]" 1
323 1 17 TYR QE 1 27 ARG HD3 . . 5.020 3.737 3.209 4.469 . 0 0 "[ . 1 . 2]" 1
324 1 17 TYR QE 1 66 ALA MB . . 4.050 3.879 3.450 4.078 0.028 11 0 "[ . 1 . 2]" 1
325 1 17 TYR QE 1 68 ASP HA . . 5.050 4.963 4.804 5.073 0.023 9 0 "[ . 1 . 2]" 1
326 1 17 TYR QE 1 69 LYS HA . . 3.630 2.195 2.123 2.271 . 0 0 "[ . 1 . 2]" 1
327 1 17 TYR QE 1 69 LYS QB . . 4.980 4.115 4.046 4.216 . 0 0 "[ . 1 . 2]" 1
328 1 17 TYR QE 1 69 LYS QD . . 4.010 2.793 2.649 2.953 . 0 0 "[ . 1 . 2]" 1
329 1 17 TYR QE 1 70 GLY H . . 3.940 3.463 3.394 3.548 . 0 0 "[ . 1 . 2]" 1
330 1 17 TYR QE 1 70 GLY QA . . 4.730 3.228 3.112 3.330 . 0 0 "[ . 1 . 2]" 1
331 1 17 TYR QE 1 71 LEU QD . . 3.230 2.263 2.144 2.453 . 0 0 "[ . 1 . 2]" 1
332 1 17 TYR QE 1 71 LEU HG . . 4.330 3.251 2.442 4.519 0.189 4 0 "[ . 1 . 2]" 1
333 1 18 GLY HA3 1 19 ASP H . . 3.800 3.208 3.012 3.383 . 0 0 "[ . 1 . 2]" 1
334 1 18 GLY HA3 1 19 ASP HA . . 5.210 4.592 4.474 4.715 . 0 0 "[ . 1 . 2]" 1
335 1 18 GLY HA3 1 21 GLU H . . 5.620 4.372 4.051 4.711 . 0 0 "[ . 1 . 2]" 1
336 1 18 GLY HA3 1 21 GLU QB . . 5.210 3.642 3.361 3.897 . 0 0 "[ . 1 . 2]" 1
337 1 18 GLY HA3 1 21 GLU HG2 . . 5.060 4.739 3.044 5.270 0.210 12 0 "[ . 1 . 2]" 1
338 1 18 GLY HA3 1 21 GLU HG3 . . 5.210 4.299 3.698 5.249 0.039 6 0 "[ . 1 . 2]" 1
339 1 18 GLY HA3 1 22 ASP H . . 4.770 4.617 4.402 4.781 0.011 6 0 "[ . 1 . 2]" 1
340 1 19 ASP H 1 19 ASP QB . . 3.520 2.221 2.101 2.413 . 0 0 "[ . 1 . 2]" 1
341 1 19 ASP H 1 20 ILE QG . . 4.470 4.154 3.772 4.386 . 0 0 "[ . 1 . 2]" 1
342 1 19 ASP H 1 21 GLU QB . . 5.940 4.805 4.482 5.062 . 0 0 "[ . 1 . 2]" 1
343 1 19 ASP HA 1 21 GLU QB . . 5.850 5.175 4.795 5.897 0.047 8 0 "[ . 1 . 2]" 1
344 1 19 ASP HA 1 22 ASP QB . . 3.550 2.741 2.484 2.918 . 0 0 "[ . 1 . 2]" 1
345 1 19 ASP QB 1 20 ILE H . . 4.050 2.687 2.330 2.984 . 0 0 "[ . 1 . 2]" 1
346 1 20 ILE H 1 20 ILE HB . . 3.800 2.280 2.162 2.420 . 0 0 "[ . 1 . 2]" 1
347 1 20 ILE H 1 20 ILE MD . . 3.790 3.183 2.928 3.513 . 0 0 "[ . 1 . 2]" 1
348 1 20 ILE H 1 20 ILE MG . . 3.730 3.693 3.627 3.745 0.015 1 0 "[ . 1 . 2]" 1
349 1 20 ILE H 1 21 GLU H . . 3.580 2.552 2.388 2.803 . 0 0 "[ . 1 . 2]" 1
350 1 20 ILE H 1 22 ASP H . . 4.560 3.949 3.792 4.211 . 0 0 "[ . 1 . 2]" 1
351 1 20 ILE HA 1 20 ILE MD . . 4.200 3.873 3.820 3.927 . 0 0 "[ . 1 . 2]" 1
352 1 20 ILE HA 1 20 ILE MG . . 3.480 2.577 2.447 2.693 . 0 0 "[ . 1 . 2]" 1
353 1 20 ILE HA 1 21 GLU H . . 4.520 3.604 3.577 3.635 . 0 0 "[ . 1 . 2]" 1
354 1 20 ILE HA 1 21 GLU HA . . 4.970 4.881 4.727 4.964 . 0 0 "[ . 1 . 2]" 1
355 1 20 ILE HA 1 21 GLU QB . . 4.290 5.371 5.033 5.557 1.267 16 20 [*****-*********+****] 1
356 1 20 ILE HA 1 23 ARG H . . 4.250 3.650 3.524 3.814 . 0 0 "[ . 1 . 2]" 1
357 1 20 ILE HB 1 20 ILE MD . . 3.130 2.334 2.278 2.411 . 0 0 "[ . 1 . 2]" 1
358 1 20 ILE HB 1 21 GLU H . . 4.560 2.674 2.541 2.776 . 0 0 "[ . 1 . 2]" 1
359 1 20 ILE HB 1 30 ILE MD . . 5.680 4.904 4.575 5.074 . 0 0 "[ . 1 . 2]" 1
360 1 20 ILE MD 1 21 GLU H . . 5.940 4.484 4.390 4.591 . 0 0 "[ . 1 . 2]" 1
361 1 20 ILE MD 1 25 PHE QB . . 5.210 4.649 4.427 5.016 . 0 0 "[ . 1 . 2]" 1
362 1 20 ILE MD 1 31 TRP HE1 . . 4.550 5.152 4.540 6.566 2.016 4 7 "[ *-+* 1* . **2]" 1
363 1 20 ILE QG 1 20 ILE MG . . 3.300 2.224 2.159 2.299 . 0 0 "[ . 1 . 2]" 1
364 1 20 ILE QG 1 21 GLU H . . 4.420 4.193 4.009 4.264 . 0 0 "[ . 1 . 2]" 1
365 1 20 ILE QG 1 30 ILE MD . . 5.210 2.958 2.544 3.415 . 0 0 "[ . 1 . 2]" 1
366 1 20 ILE MG 1 21 GLU H . . 4.490 3.298 3.000 3.486 . 0 0 "[ . 1 . 2]" 1
367 1 20 ILE MG 1 21 GLU HA . . 3.410 3.610 3.271 3.843 0.433 1 0 "[ . 1 . 2]" 1
368 1 20 ILE MG 1 21 GLU HG2 . . 5.850 4.559 3.618 5.896 0.046 6 0 "[ . 1 . 2]" 1
369 1 20 ILE MG 1 21 GLU HG3 . . 5.850 5.313 4.505 5.977 0.127 7 0 "[ . 1 . 2]" 1
370 1 20 ILE MG 1 23 ARG H . . 4.980 4.989 4.906 5.048 0.068 8 0 "[ . 1 . 2]" 1
371 1 20 ILE MG 1 25 PHE H . . 4.210 3.542 3.449 3.674 . 0 0 "[ . 1 . 2]" 1
372 1 20 ILE MG 1 25 PHE QB . . 3.620 2.035 1.967 2.210 . 0 0 "[ . 1 . 2]" 1
373 1 20 ILE MG 1 30 ILE MD . . 3.260 2.400 2.193 2.593 . 0 0 "[ . 1 . 2]" 1
374 1 20 ILE MG 1 30 ILE MG . . 3.550 4.005 3.885 4.225 0.675 6 5 "[ .+ * 1 **. -2]" 1
375 1 21 GLU H 1 21 GLU QB . . 3.460 2.332 1.940 2.627 . 0 0 "[ . 1 . 2]" 1
376 1 21 GLU H 1 21 GLU HG2 . . 4.040 2.859 2.237 4.184 0.144 6 0 "[ . 1 . 2]" 1
377 1 21 GLU H 1 21 GLU HG3 . . 3.850 3.248 2.237 4.048 0.198 7 0 "[ . 1 . 2]" 1
378 1 21 GLU H 1 22 ASP H . . 3.890 2.770 2.698 2.818 . 0 0 "[ . 1 . 2]" 1
379 1 21 GLU HA 1 21 GLU HG2 . . 3.560 3.027 2.627 3.768 0.208 19 0 "[ . 1 . 2]" 1
380 1 21 GLU HA 1 21 GLU HG3 . . 3.540 3.533 3.357 3.724 0.184 17 0 "[ . 1 . 2]" 1
381 1 21 GLU HA 1 22 ASP H . . 5.530 3.575 3.530 3.620 . 0 0 "[ . 1 . 2]" 1
382 1 21 GLU HA 1 23 ARG H . . 5.740 4.502 4.321 4.650 . 0 0 "[ . 1 . 2]" 1
383 1 21 GLU HA 1 24 GLY H . . 3.700 3.409 3.283 3.479 . 0 0 "[ . 1 . 2]" 1
384 1 21 GLU HA 1 24 GLY HA2 . . 5.210 3.747 3.682 3.864 . 0 0 "[ . 1 . 2]" 1
385 1 21 GLU HA 1 24 GLY HA3 . . 5.210 5.281 5.255 5.321 0.111 3 0 "[ . 1 . 2]" 1
386 1 21 GLU HA 1 25 PHE H . . 4.050 3.633 3.423 3.762 . 0 0 "[ . 1 . 2]" 1
387 1 21 GLU QB 1 22 ASP H . . 4.050 2.728 2.382 3.508 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLU QB 1 22 ASP HA . . 5.210 4.053 3.774 4.837 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLU HG2 1 22 ASP H . . 5.200 4.202 2.448 5.037 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLU HG3 1 22 ASP H . . 4.540 4.161 3.192 4.725 0.185 5 0 "[ . 1 . 2]" 1
391 1 22 ASP H 1 22 ASP QB . . 3.290 2.248 2.223 2.289 . 0 0 "[ . 1 . 2]" 1
392 1 22 ASP H 1 23 ARG H . . 3.790 2.670 2.554 2.783 . 0 0 "[ . 1 . 2]" 1
393 1 22 ASP H 1 23 ARG HA . . 3.450 5.377 5.259 5.464 2.014 5 20 [****+**********-****] 1
394 1 22 ASP H 1 23 ARG QB . . 6.310 4.573 4.417 4.675 . 0 0 "[ . 1 . 2]" 1
395 1 22 ASP H 1 24 GLY H . . 4.580 3.779 3.662 3.828 . 0 0 "[ . 1 . 2]" 1
396 1 22 ASP H 1 25 PHE H . . 5.090 5.156 5.131 5.198 0.108 18 0 "[ . 1 . 2]" 1
397 1 22 ASP HA 1 22 ASP QB . . 2.780 2.381 2.369 2.412 . 0 0 "[ . 1 . 2]" 1
398 1 22 ASP HA 1 23 ARG H . . 3.530 3.509 3.475 3.544 0.014 18 0 "[ . 1 . 2]" 1
399 1 22 ASP HA 1 24 GLY H . . 3.600 3.625 3.597 3.647 0.047 4 0 "[ . 1 . 2]" 1
400 1 22 ASP QB 1 23 ARG H . . 3.520 2.390 2.315 2.477 . 0 0 "[ . 1 . 2]" 1
401 1 22 ASP QB 1 24 GLY H . . 5.290 4.296 4.250 4.324 . 0 0 "[ . 1 . 2]" 1
402 1 23 ARG H 1 23 ARG QD . . 4.540 3.487 3.095 3.868 . 0 0 "[ . 1 . 2]" 1
403 1 23 ARG H 1 23 ARG QG . . 4.010 2.376 2.203 2.581 . 0 0 "[ . 1 . 2]" 1
404 1 23 ARG H 1 24 GLY H . . 3.350 2.650 2.566 2.691 . 0 0 "[ . 1 . 2]" 1
405 1 23 ARG H 1 24 GLY HA2 . . 5.210 4.916 4.864 4.968 . 0 0 "[ . 1 . 2]" 1
406 1 23 ARG H 1 24 GLY HA3 . . 5.210 5.283 5.247 5.300 0.090 19 0 "[ . 1 . 2]" 1
407 1 23 ARG H 1 25 PHE QD . . 4.290 4.267 4.173 4.478 0.188 3 0 "[ . 1 . 2]" 1
408 1 23 ARG HA 1 23 ARG QG . . 2.950 2.452 2.314 2.548 . 0 0 "[ . 1 . 2]" 1
409 1 23 ARG HA 1 24 GLY H . . 3.740 3.385 3.341 3.455 . 0 0 "[ . 1 . 2]" 1
410 1 23 ARG HA 1 24 GLY HA3 . . 5.210 4.515 4.401 4.613 . 0 0 "[ . 1 . 2]" 1
411 1 23 ARG HA 1 25 PHE H . . 4.500 4.560 4.454 4.605 0.105 6 0 "[ . 1 . 2]" 1
412 1 23 ARG HA 1 25 PHE QD . . 4.140 4.081 3.940 4.378 0.238 3 0 "[ . 1 . 2]" 1
413 1 23 ARG HA 1 25 PHE QE . . 4.340 4.292 4.177 4.365 0.025 18 0 "[ . 1 . 2]" 1
414 1 23 ARG QB 1 24 GLY H . . 4.280 3.323 3.165 3.423 . 0 0 "[ . 1 . 2]" 1
415 1 23 ARG QB 1 25 PHE QD . . 3.670 2.000 1.870 2.031 . 0 0 "[ . 1 . 2]" 1
416 1 23 ARG QB 1 30 ILE MD . . 5.210 4.520 3.815 4.689 . 0 0 "[ . 1 . 2]" 1
417 1 23 ARG QD 1 25 PHE QD . . 4.130 3.522 2.629 3.721 . 0 0 "[ . 1 . 2]" 1
418 1 23 ARG QD 1 30 ILE MD . . 3.970 4.338 3.316 4.769 0.799 8 11 "[** *- + ** * .* * *]" 1
419 1 23 ARG QG 1 25 PHE QD . . 4.650 4.064 3.691 4.142 . 0 0 "[ . 1 . 2]" 1
420 1 24 GLY H 1 25 PHE H . . 3.220 2.551 2.441 2.596 . 0 0 "[ . 1 . 2]" 1
421 1 24 GLY H 1 25 PHE QD . . 4.650 4.001 3.769 4.697 0.047 3 0 "[ . 1 . 2]" 1
422 1 24 GLY HA2 1 25 PHE H . . 4.090 3.172 3.130 3.265 . 0 0 "[ . 1 . 2]" 1
423 1 24 GLY HA2 1 25 PHE QD . . 5.850 4.944 4.647 5.397 . 0 0 "[ . 1 . 2]" 1
424 1 24 GLY HA3 1 25 PHE H . . 4.060 3.427 3.358 3.457 . 0 0 "[ . 1 . 2]" 1
425 1 24 GLY HA3 1 25 PHE QD . . 4.700 4.453 4.052 4.764 0.064 14 0 "[ . 1 . 2]" 1
426 1 25 PHE H 1 25 PHE QB . . 3.890 2.410 2.372 2.471 . 0 0 "[ . 1 . 2]" 1
427 1 25 PHE H 1 25 PHE QD . . 3.700 2.351 2.181 3.157 . 0 0 "[ . 1 . 2]" 1
428 1 25 PHE H 1 25 PHE QE . . 4.420 4.468 4.438 4.533 0.113 3 0 "[ . 1 . 2]" 1
429 1 25 PHE H 1 26 ASP H . . 5.400 4.464 4.414 4.516 . 0 0 "[ . 1 . 2]" 1
430 1 25 PHE H 1 30 ILE MD . . 5.550 4.869 4.456 5.084 . 0 0 "[ . 1 . 2]" 1
431 1 25 PHE HA 1 25 PHE QD . . 3.630 3.145 2.189 3.291 . 0 0 "[ . 1 . 2]" 1
432 1 25 PHE HA 1 25 PHE QE . . 5.670 4.695 4.315 4.833 . 0 0 "[ . 1 . 2]" 1
433 1 25 PHE HA 1 26 ASP H . . 3.660 2.744 2.688 2.780 . 0 0 "[ . 1 . 2]" 1
434 1 25 PHE HA 1 26 ASP QB . . 3.320 4.025 3.802 4.116 0.796 9 19 "[** -****+***********]" 1
435 1 25 PHE QB 1 30 ILE MD . . 4.010 2.305 2.181 2.445 . 0 0 "[ . 1 . 2]" 1
436 1 25 PHE QB 1 30 ILE MG . . 5.530 4.564 4.380 4.725 . 0 0 "[ . 1 . 2]" 1
437 1 25 PHE QD 1 30 ILE MD . . 3.970 2.715 2.429 2.935 . 0 0 "[ . 1 . 2]" 1
438 1 25 PHE QD 1 30 ILE MG . . 4.610 4.836 4.528 5.279 0.669 3 1 "[ + . 1 . 2]" 1
439 1 25 PHE QD 1 33 ASN QD . . 6.360 5.567 4.821 5.822 . 0 0 "[ . 1 . 2]" 1
440 1 25 PHE QD 1 39 GLU QB . . 4.580 4.310 4.087 4.536 . 0 0 "[ . 1 . 2]" 1
441 1 25 PHE QD 1 39 GLU QG . . 3.440 4.045 3.269 4.144 0.704 17 18 "[ * *********-***+***]" 1
442 1 25 PHE QD 1 40 LEU H . . 4.850 5.425 5.124 5.642 0.792 13 15 "[*** *** *1**+****- 2]" 1
443 1 25 PHE QD 1 40 LEU HA . . 4.650 5.862 5.470 6.305 1.655 17 20 [***************-+***] 1
444 1 25 PHE QE 1 36 ARG HD2 . . 5.210 2.834 2.382 3.502 . 0 0 "[ . 1 . 2]" 1
445 1 25 PHE QE 1 36 ARG HD3 . . 5.210 4.017 3.684 4.623 . 0 0 "[ . 1 . 2]" 1
446 1 25 PHE QE 1 39 GLU QB . . 4.550 2.889 2.689 3.062 . 0 0 "[ . 1 . 2]" 1
447 1 25 PHE QE 1 39 GLU QG . . 4.280 2.113 2.067 2.403 . 0 0 "[ . 1 . 2]" 1
448 1 25 PHE QE 1 40 LEU H . . 5.290 4.795 4.536 5.407 0.117 3 0 "[ . 1 . 2]" 1
449 1 25 PHE QE 1 40 LEU HA . . 5.850 5.536 5.038 5.885 0.035 7 0 "[ . 1 . 2]" 1
450 1 26 ASP H 1 26 ASP QB . . 3.690 2.719 2.647 2.802 . 0 0 "[ . 1 . 2]" 1
451 1 26 ASP H 1 29 GLU QB . . 4.680 2.277 2.097 2.408 . 0 0 "[ . 1 . 2]" 1
452 1 26 ASP H 1 29 GLU HG2 . . 4.680 4.670 4.532 4.710 0.030 8 0 "[ . 1 . 2]" 1
453 1 26 ASP HA 1 27 ARG H . . 3.970 2.350 2.309 2.449 . 0 0 "[ . 1 . 2]" 1
454 1 26 ASP HA 1 28 GLU H . . 4.920 4.287 4.088 4.548 . 0 0 "[ . 1 . 2]" 1
455 1 26 ASP QB 1 27 ARG H . . 4.650 3.341 3.135 3.488 . 0 0 "[ . 1 . 2]" 1
456 1 26 ASP QB 1 28 GLU H . . 4.950 2.970 2.849 3.149 . 0 0 "[ . 1 . 2]" 1
457 1 26 ASP QB 1 29 GLU H . . 3.790 1.976 1.748 2.323 . 0 0 "[ . 1 . 2]" 1
458 1 26 ASP QB 1 29 GLU QB . . 3.540 2.107 2.031 2.187 . 0 0 "[ . 1 . 2]" 1
459 1 26 ASP QB 1 29 GLU HG2 . . 3.990 2.334 2.232 2.559 . 0 0 "[ . 1 . 2]" 1
460 1 26 ASP QB 1 29 GLU HG3 . . 3.990 2.174 2.099 2.342 . 0 0 "[ . 1 . 2]" 1
461 1 27 ARG H 1 27 ARG HD3 . . 5.240 3.879 3.051 4.188 . 0 0 "[ . 1 . 2]" 1
462 1 27 ARG H 1 27 ARG HG2 . . 4.980 2.291 2.219 2.438 . 0 0 "[ . 1 . 2]" 1
463 1 27 ARG H 1 27 ARG HG3 . . 4.560 3.557 3.387 3.781 . 0 0 "[ . 1 . 2]" 1
464 1 27 ARG H 1 28 GLU H . . 4.600 2.807 2.760 2.841 . 0 0 "[ . 1 . 2]" 1
465 1 27 ARG HA 1 27 ARG HD2 . . 5.530 4.864 4.774 5.041 . 0 0 "[ . 1 . 2]" 1
466 1 27 ARG HA 1 27 ARG HD3 . . 5.550 4.842 4.706 4.934 . 0 0 "[ . 1 . 2]" 1
467 1 27 ARG HA 1 27 ARG HG3 . . 3.800 3.815 3.759 3.915 0.115 15 0 "[ . 1 . 2]" 1
468 1 27 ARG HA 1 28 GLU H . . 5.390 3.552 3.518 3.584 . 0 0 "[ . 1 . 2]" 1
469 1 27 ARG HA 1 30 ILE H . . 4.050 3.980 3.880 4.061 0.011 15 0 "[ . 1 . 2]" 1
470 1 27 ARG HA 1 30 ILE HA . . 5.850 5.925 5.864 5.997 0.147 16 0 "[ . 1 . 2]" 1
471 1 27 ARG HA 1 30 ILE HB . . 4.290 3.397 3.106 3.626 . 0 0 "[ . 1 . 2]" 1
472 1 27 ARG HA 1 30 ILE MD . . 5.110 4.644 4.555 4.704 . 0 0 "[ . 1 . 2]" 1
473 1 27 ARG HA 1 30 ILE MG . . 5.210 4.389 4.110 4.587 . 0 0 "[ . 1 . 2]" 1
474 1 27 ARG HA 1 71 LEU QD . . 3.700 3.502 3.259 3.770 0.070 8 0 "[ . 1 . 2]" 1
475 1 27 ARG HB2 1 27 ARG HD2 . . 3.190 2.623 2.489 2.905 . 0 0 "[ . 1 . 2]" 1
476 1 27 ARG HB3 1 27 ARG HD2 . . 3.210 3.036 2.695 3.201 . 0 0 "[ . 1 . 2]" 1
477 1 27 ARG HB3 1 27 ARG HD3 . . 3.940 2.519 2.447 2.583 . 0 0 "[ . 1 . 2]" 1
478 1 27 ARG HB3 1 28 GLU H . . 4.090 4.113 4.007 4.149 0.059 17 0 "[ . 1 . 2]" 1
479 1 27 ARG HG2 1 28 GLU H . . 4.410 2.665 2.226 2.867 . 0 0 "[ . 1 . 2]" 1
480 1 27 ARG HG3 1 28 GLU H . . 4.020 2.791 2.538 3.250 . 0 0 "[ . 1 . 2]" 1
481 1 28 GLU H 1 28 GLU HB2 . . 3.610 2.393 2.112 2.447 . 0 0 "[ . 1 . 2]" 1
482 1 28 GLU H 1 28 GLU HB3 . . 3.610 3.609 3.428 3.641 0.031 10 0 "[ . 1 . 2]" 1
483 1 28 GLU H 1 28 GLU QG . . 3.360 2.542 2.500 2.569 . 0 0 "[ . 1 . 2]" 1
484 1 28 GLU H 1 29 GLU H . . 3.620 2.374 2.228 2.462 . 0 0 "[ . 1 . 2]" 1
485 1 28 GLU H 1 29 GLU HA . . 5.210 5.012 4.889 5.091 . 0 0 "[ . 1 . 2]" 1
486 1 28 GLU H 1 29 GLU HG2 . . 5.210 4.204 3.927 4.352 . 0 0 "[ . 1 . 2]" 1
487 1 28 GLU H 1 29 GLU HG3 . . 5.210 5.245 5.088 5.319 0.109 1 0 "[ . 1 . 2]" 1
488 1 28 GLU HA 1 28 GLU HB2 . . 2.950 3.031 3.025 3.042 0.092 1 0 "[ . 1 . 2]" 1
489 1 28 GLU HA 1 28 GLU HB3 . . 3.090 2.504 2.474 2.615 . 0 0 "[ . 1 . 2]" 1
490 1 28 GLU HA 1 31 TRP HB2 . . 5.210 3.526 3.118 3.680 . 0 0 "[ . 1 . 2]" 1
491 1 28 GLU HA 1 31 TRP HD1 . . 3.060 2.399 2.216 3.072 0.012 8 0 "[ . 1 . 2]" 1
492 1 28 GLU HA 1 32 TYR QD . . 4.300 3.610 3.491 4.066 . 0 0 "[ . 1 . 2]" 1
493 1 28 GLU HA 1 32 TYR QE . . 4.430 3.068 2.807 3.614 . 0 0 "[ . 1 . 2]" 1
494 1 28 GLU HB2 1 32 TYR QD . . 4.330 3.657 3.508 4.076 . 0 0 "[ . 1 . 2]" 1
495 1 28 GLU HB2 1 32 TYR QE . . 3.930 3.974 3.952 3.985 0.055 12 0 "[ . 1 . 2]" 1
496 1 28 GLU HB3 1 29 GLU H . . 4.540 3.589 3.396 3.674 . 0 0 "[ . 1 . 2]" 1
497 1 28 GLU HB3 1 31 TRP H . . 5.850 5.149 5.028 5.352 . 0 0 "[ . 1 . 2]" 1
498 1 28 GLU HB3 1 32 TYR QD . . 4.330 2.326 2.275 2.546 . 0 0 "[ . 1 . 2]" 1
499 1 28 GLU HB3 1 32 TYR QE . . 3.700 2.285 2.244 2.444 . 0 0 "[ . 1 . 2]" 1
500 1 28 GLU QG 1 32 TYR QD . . 5.050 4.229 4.104 4.310 . 0 0 "[ . 1 . 2]" 1
501 1 28 GLU QG 1 32 TYR QE . . 4.330 2.911 2.582 3.109 . 0 0 "[ . 1 . 2]" 1
502 1 29 GLU H 1 29 GLU QB . . 3.650 2.335 2.280 2.420 . 0 0 "[ . 1 . 2]" 1
503 1 29 GLU H 1 29 GLU HG2 . . 3.990 2.329 2.203 2.454 . 0 0 "[ . 1 . 2]" 1
504 1 29 GLU H 1 29 GLU HG3 . . 3.820 3.382 3.308 3.489 . 0 0 "[ . 1 . 2]" 1
505 1 29 GLU H 1 30 ILE H . . 2.960 2.751 2.622 2.844 . 0 0 "[ . 1 . 2]" 1
506 1 29 GLU H 1 30 ILE HA . . 5.910 5.421 5.337 5.498 . 0 0 "[ . 1 . 2]" 1
507 1 29 GLU HA 1 29 GLU HG2 . . 3.990 2.787 2.686 2.940 . 0 0 "[ . 1 . 2]" 1
508 1 29 GLU HA 1 29 GLU HG3 . . 3.990 3.737 3.709 3.760 . 0 0 "[ . 1 . 2]" 1
509 1 29 GLU HA 1 30 ILE H . . 3.330 3.484 3.475 3.493 0.163 5 0 "[ . 1 . 2]" 1
510 1 29 GLU HA 1 31 TRP H . . 4.170 4.198 4.152 4.253 0.083 8 0 "[ . 1 . 2]" 1
511 1 29 GLU HA 1 32 TYR H . . 4.390 3.128 3.074 3.197 . 0 0 "[ . 1 . 2]" 1
512 1 29 GLU HA 1 32 TYR QB . . 4.270 2.672 2.627 2.726 . 0 0 "[ . 1 . 2]" 1
513 1 29 GLU HA 1 33 ASN HB2 . . 5.210 4.448 4.236 4.643 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLU QB 1 30 ILE MG . . 6.370 5.373 5.329 5.416 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLU QB 1 31 TRP H . . 4.270 4.829 4.763 4.885 0.615 8 19 "[*** ***+**********-*]" 1
516 1 29 GLU QB 1 33 ASN QD . . 4.580 2.480 2.226 2.640 . 0 0 "[ . 1 . 2]" 1
517 1 29 GLU HG2 1 30 ILE H . . 4.650 4.499 4.402 4.564 . 0 0 "[ . 1 . 2]" 1
518 1 29 GLU HG3 1 30 ILE H . . 4.650 4.848 4.817 4.899 0.249 15 0 "[ . 1 . 2]" 1
519 1 29 GLU HG3 1 33 ASN QD . . 5.290 4.038 3.780 4.233 . 0 0 "[ . 1 . 2]" 1
520 1 30 ILE H 1 30 ILE HA . . 3.100 2.811 2.777 2.854 . 0 0 "[ . 1 . 2]" 1
521 1 30 ILE H 1 30 ILE HB . . 3.120 2.419 2.369 2.497 . 0 0 "[ . 1 . 2]" 1
522 1 30 ILE H 1 30 ILE MD . . 4.010 3.842 3.783 3.893 . 0 0 "[ . 1 . 2]" 1
523 1 30 ILE H 1 30 ILE HG12 . . 2.990 2.298 2.251 2.365 . 0 0 "[ . 1 . 2]" 1
524 1 30 ILE H 1 30 ILE HG13 . . 3.210 3.281 3.242 3.320 0.110 8 0 "[ . 1 . 2]" 1
525 1 30 ILE H 1 30 ILE MG . . 4.050 3.807 3.785 3.834 . 0 0 "[ . 1 . 2]" 1
526 1 30 ILE H 1 32 TYR QD . . 5.940 5.455 5.259 5.969 0.029 8 0 "[ . 1 . 2]" 1
527 1 30 ILE H 1 33 ASN H . . 4.050 5.306 4.958 5.496 1.446 3 20 [-*+*****************] 1
528 1 30 ILE HA 1 30 ILE MD . . 3.700 2.487 2.344 2.623 . 0 0 "[ . 1 . 2]" 1
529 1 30 ILE HA 1 30 ILE MG . . 3.560 2.622 2.544 2.699 . 0 0 "[ . 1 . 2]" 1
530 1 30 ILE HA 1 31 TRP H . . 4.110 3.620 3.588 3.651 . 0 0 "[ . 1 . 2]" 1
531 1 30 ILE HA 1 33 ASN H . . 5.220 4.276 3.986 4.503 . 0 0 "[ . 1 . 2]" 1
532 1 30 ILE HB 1 31 TRP H . . 4.180 2.574 2.498 2.696 . 0 0 "[ . 1 . 2]" 1
533 1 30 ILE HB 1 41 PHE QE . . 6.360 6.459 6.203 6.675 0.315 4 0 "[ . 1 . 2]" 1
534 1 30 ILE HB 1 73 ILE MD . . 4.160 6.719 6.026 7.146 2.986 17 20 [**********-*****+***] 1
535 1 30 ILE MD 1 30 ILE MG . . 2.770 2.033 1.959 2.056 . 0 0 "[ . 1 . 2]" 1
536 1 30 ILE MD 1 31 TRP H . . 5.210 4.963 4.875 5.105 . 0 0 "[ . 1 . 2]" 1
537 1 30 ILE MD 1 37 SER H . . 5.000 4.904 4.638 5.025 0.025 10 0 "[ . 1 . 2]" 1
538 1 30 ILE MD 1 37 SER HA . . 3.600 2.856 2.505 3.148 . 0 0 "[ . 1 . 2]" 1
539 1 30 ILE MD 1 39 GLU H . . 4.920 5.113 4.922 5.172 0.252 3 0 "[ . 1 . 2]" 1
540 1 30 ILE MD 1 40 LEU H . . 4.400 3.889 3.758 4.126 . 0 0 "[ . 1 . 2]" 1
541 1 30 ILE HG13 1 30 ILE MG . . 3.570 2.568 2.526 2.613 . 0 0 "[ . 1 . 2]" 1
542 1 30 ILE HG13 1 31 TRP H . . 4.620 4.746 4.701 4.818 0.198 4 0 "[ . 1 . 2]" 1
543 1 30 ILE MG 1 31 TRP H . . 3.740 3.106 2.879 3.377 . 0 0 "[ . 1 . 2]" 1
544 1 30 ILE MG 1 31 TRP HA . . 4.510 3.210 3.064 3.426 . 0 0 "[ . 1 . 2]" 1
545 1 30 ILE MG 1 31 TRP HE3 . . 4.140 3.530 3.206 4.146 0.006 18 0 "[ . 1 . 2]" 1
546 1 30 ILE MG 1 37 SER HA . . 3.570 2.402 2.116 2.853 . 0 0 "[ . 1 . 2]" 1
547 1 30 ILE MG 1 37 SER QB . . 3.830 2.890 2.576 3.530 . 0 0 "[ . 1 . 2]" 1
548 1 31 TRP H 1 31 TRP HB2 . . 3.630 2.525 2.470 2.579 . 0 0 "[ . 1 . 2]" 1
549 1 31 TRP H 1 31 TRP HB3 . . 3.550 3.613 3.580 3.649 0.099 4 0 "[ . 1 . 2]" 1
550 1 31 TRP H 1 31 TRP HD1 . . 3.860 3.226 2.926 3.809 . 0 0 "[ . 1 . 2]" 1
551 1 31 TRP H 1 31 TRP HE1 . . 5.940 4.670 4.355 5.238 . 0 0 "[ . 1 . 2]" 1
552 1 31 TRP H 1 32 TYR H . . 3.670 2.609 2.447 2.674 . 0 0 "[ . 1 . 2]" 1
553 1 31 TRP H 1 32 TYR QE . . 5.050 5.023 4.847 5.136 0.086 4 0 "[ . 1 . 2]" 1
554 1 31 TRP HA 1 31 TRP HB2 . . 2.960 3.022 3.014 3.028 0.068 18 0 "[ . 1 . 2]" 1
555 1 31 TRP HA 1 31 TRP HB3 . . 2.960 2.446 2.417 2.473 . 0 0 "[ . 1 . 2]" 1
556 1 31 TRP HA 1 31 TRP HE3 . . 2.720 2.381 2.152 2.558 . 0 0 "[ . 1 . 2]" 1
557 1 31 TRP HB2 1 32 TYR H . . 3.780 3.095 2.654 3.371 . 0 0 "[ . 1 . 2]" 1
558 1 31 TRP HB2 1 32 TYR QD . . 4.340 3.444 2.615 3.603 . 0 0 "[ . 1 . 2]" 1
559 1 31 TRP HB2 1 32 TYR QE . . 4.260 3.416 2.895 3.603 . 0 0 "[ . 1 . 2]" 1
560 1 31 TRP HB3 1 32 TYR H . . 4.340 4.059 3.767 4.258 . 0 0 "[ . 1 . 2]" 1
561 1 31 TRP HB3 1 32 TYR QD . . 4.340 4.056 2.989 4.394 0.054 13 0 "[ . 1 . 2]" 1
562 1 31 TRP HD1 1 32 TYR QD . . 5.620 4.685 4.502 4.843 . 0 0 "[ . 1 . 2]" 1
563 1 31 TRP HD1 1 32 TYR QE . . 3.780 3.800 3.362 3.849 0.069 1 0 "[ . 1 . 2]" 1
564 1 31 TRP HE1 1 66 ALA MB . . 4.460 4.200 3.245 4.515 0.055 20 0 "[ . 1 . 2]" 1
565 1 31 TRP HH2 1 64 VAL HA . . 4.720 4.856 4.791 4.956 0.236 2 0 "[ . 1 . 2]" 1
566 1 31 TRP HZ2 1 66 ALA MB . . 5.050 4.323 2.208 5.209 0.159 1 0 "[ . 1 . 2]" 1
567 1 31 TRP HZ2 1 71 LEU QD . . 3.060 2.139 1.918 2.736 . 0 0 "[ . 1 . 2]" 1
568 1 31 TRP HZ3 1 64 VAL QG . . 3.860 2.941 1.975 3.462 . 0 0 "[ . 1 . 2]" 1
569 1 32 TYR H 1 32 TYR QE . . 5.340 4.804 4.431 4.979 . 0 0 "[ . 1 . 2]" 1
570 1 32 TYR H 1 33 ASN H . . 3.370 2.476 2.275 2.781 . 0 0 "[ . 1 . 2]" 1
571 1 32 TYR H 1 33 ASN QD . . 4.290 3.395 3.172 4.081 . 0 0 "[ . 1 . 2]" 1
572 1 32 TYR QB 1 32 TYR QD . . 2.720 2.212 2.190 2.314 . 0 0 "[ . 1 . 2]" 1
573 1 32 TYR QB 1 33 ASN H . . 4.540 3.555 3.158 3.647 . 0 0 "[ . 1 . 2]" 1
574 1 32 TYR QD 1 33 ASN H . . 4.050 4.876 4.633 4.932 0.882 5 20 [-***+***************] 1
575 1 33 ASN H 1 33 ASN HB2 . . 3.550 2.524 2.369 2.585 . 0 0 "[ . 1 . 2]" 1
576 1 33 ASN H 1 33 ASN HB3 . . 3.550 3.687 3.607 3.717 0.167 8 0 "[ . 1 . 2]" 1
577 1 33 ASN HB2 1 36 ARG QB . . 3.990 2.135 2.079 2.230 . 0 0 "[ . 1 . 2]" 1
578 1 33 ASN HB2 1 36 ARG HG2 . . 4.230 3.687 3.500 4.096 . 0 0 "[ . 1 . 2]" 1
579 1 33 ASN HB3 1 36 ARG QB . . 3.990 2.425 2.321 2.514 . 0 0 "[ . 1 . 2]" 1
580 1 33 ASN HB3 1 36 ARG HG2 . . 4.470 2.624 2.490 3.113 . 0 0 "[ . 1 . 2]" 1
581 1 33 ASN QD 1 36 ARG HG2 . . 5.940 5.030 4.483 5.162 . 0 0 "[ . 1 . 2]" 1
582 1 33 ASN QD 1 36 ARG HG3 . . 5.940 4.774 3.991 4.964 . 0 0 "[ . 1 . 2]" 1
583 1 34 ARG HA 1 34 ARG HD2 . . 4.470 4.360 3.749 4.601 0.131 4 0 "[ . 1 . 2]" 1
584 1 34 ARG HA 1 34 ARG HD3 . . 4.640 4.441 2.136 4.712 0.072 15 0 "[ . 1 . 2]" 1
585 1 34 ARG HA 1 34 ARG HG2 . . 4.430 3.509 3.230 3.854 . 0 0 "[ . 1 . 2]" 1
586 1 34 ARG HA 1 34 ARG HG3 . . 4.420 2.919 2.366 3.796 . 0 0 "[ . 1 . 2]" 1
587 1 34 ARG HA 1 37 SER H . . 4.290 3.546 3.128 4.115 . 0 0 "[ . 1 . 2]" 1
588 1 34 ARG HA 1 37 SER QB . . 4.680 3.539 2.341 3.792 . 0 0 "[ . 1 . 2]" 1
589 1 34 ARG HB2 1 34 ARG HD2 . . 4.040 2.697 2.361 3.804 . 0 0 "[ . 1 . 2]" 1
590 1 34 ARG HB2 1 34 ARG HD3 . . 3.980 2.901 2.349 3.679 . 0 0 "[ . 1 . 2]" 1
591 1 34 ARG HB3 1 34 ARG HD3 . . 3.530 2.739 2.384 3.722 0.192 18 0 "[ . 1 . 2]" 1
592 1 34 ARG HB3 1 35 GLU H . . 3.780 3.183 2.332 4.039 0.259 10 0 "[ . 1 . 2]" 1
593 1 34 ARG HG2 1 35 GLU H . . 4.100 3.533 2.624 4.322 0.222 18 0 "[ . 1 . 2]" 1
594 1 34 ARG HG3 1 35 GLU HA . . 4.650 4.365 3.555 4.751 0.101 20 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 35 GLU QB . . 3.610 2.682 2.356 2.847 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU H 1 35 GLU HG2 . . 3.500 3.136 2.605 3.535 0.035 18 0 "[ . 1 . 2]" 1
597 1 35 GLU H 1 36 ARG H . . 3.850 2.423 2.111 2.950 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU HA 1 35 GLU QB . . 2.760 2.165 2.151 2.180 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU HA 1 36 ARG H . . 3.550 3.529 3.445 3.572 0.022 19 0 "[ . 1 . 2]" 1
600 1 35 GLU HA 1 38 GLU H . . 3.990 3.343 3.148 3.544 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLU QB 1 36 ARG H . . 4.340 3.699 3.608 3.774 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLU HG2 1 36 ARG H . . 4.050 2.757 2.493 2.891 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU HG2 1 36 ARG HA . . 3.990 3.794 3.656 4.084 0.094 7 0 "[ . 1 . 2]" 1
604 1 35 GLU HG2 1 36 ARG HD2 . . 4.780 4.148 3.140 4.702 . 0 0 "[ . 1 . 2]" 1
605 1 35 GLU HG2 1 36 ARG HD3 . . 4.360 2.681 2.446 3.377 . 0 0 "[ . 1 . 2]" 1
606 1 35 GLU HG2 1 36 ARG HG2 . . 4.830 2.652 2.412 2.836 . 0 0 "[ . 1 . 2]" 1
607 1 35 GLU HG2 1 36 ARG HG3 . . 4.950 4.272 3.970 4.396 . 0 0 "[ . 1 . 2]" 1
608 1 35 GLU HG2 1 37 SER H . . 5.140 4.943 4.771 5.025 . 0 0 "[ . 1 . 2]" 1
609 1 36 ARG H 1 36 ARG QB . . 3.520 2.400 2.352 2.448 . 0 0 "[ . 1 . 2]" 1
610 1 36 ARG H 1 36 ARG HD2 . . 4.760 4.466 3.711 4.604 . 0 0 "[ . 1 . 2]" 1
611 1 36 ARG H 1 36 ARG HD3 . . 4.770 3.557 3.366 4.614 . 0 0 "[ . 1 . 2]" 1
612 1 36 ARG H 1 36 ARG HG2 . . 4.050 2.701 2.570 2.765 . 0 0 "[ . 1 . 2]" 1
613 1 36 ARG H 1 36 ARG HG3 . . 4.050 4.023 3.899 4.076 0.026 3 0 "[ . 1 . 2]" 1
614 1 36 ARG H 1 37 SER H . . 3.730 2.356 2.195 2.521 . 0 0 "[ . 1 . 2]" 1
615 1 36 ARG H 1 37 SER HA . . 4.950 4.998 4.911 5.087 0.137 1 0 "[ . 1 . 2]" 1
616 1 36 ARG HA 1 36 ARG HD2 . . 3.450 2.496 2.023 2.630 . 0 0 "[ . 1 . 2]" 1
617 1 36 ARG HA 1 36 ARG HD3 . . 3.950 2.308 2.112 3.606 . 0 0 "[ . 1 . 2]" 1
618 1 36 ARG HA 1 36 ARG HG2 . . 3.550 3.312 3.112 3.455 . 0 0 "[ . 1 . 2]" 1
619 1 36 ARG HA 1 36 ARG HG3 . . 3.550 3.643 3.625 3.682 0.132 20 0 "[ . 1 . 2]" 1
620 1 36 ARG HA 1 37 SER H . . 5.660 3.498 3.427 3.548 . 0 0 "[ . 1 . 2]" 1
621 1 36 ARG HA 1 37 SER HA . . 5.210 4.758 4.574 4.898 . 0 0 "[ . 1 . 2]" 1
622 1 36 ARG HA 1 39 GLU QB . . 4.610 3.835 3.093 3.908 . 0 0 "[ . 1 . 2]" 1
623 1 36 ARG HA 1 39 GLU QG . . 3.170 1.956 1.918 2.383 . 0 0 "[ . 1 . 2]" 1
624 1 36 ARG QB 1 36 ARG HD2 . . 3.900 2.757 2.683 3.038 . 0 0 "[ . 1 . 2]" 1
625 1 36 ARG QB 1 36 ARG HD3 . . 3.860 3.218 3.154 3.610 . 0 0 "[ . 1 . 2]" 1
626 1 36 ARG QB 1 37 SER H . . 3.980 3.125 3.067 3.244 . 0 0 "[ . 1 . 2]" 1
627 1 36 ARG HD2 1 39 GLU QB . . 5.460 4.577 4.047 4.726 . 0 0 "[ . 1 . 2]" 1
628 1 36 ARG HD2 1 39 GLU QG . . 6.370 2.848 2.676 3.508 . 0 0 "[ . 1 . 2]" 1
629 1 36 ARG HD3 1 39 GLU QG . . 4.870 3.319 3.126 4.215 . 0 0 "[ . 1 . 2]" 1
630 1 36 ARG HG2 1 37 SER H . . 5.940 4.726 4.620 4.866 . 0 0 "[ . 1 . 2]" 1
631 1 37 SER H 1 37 SER QB . . 3.720 2.787 2.104 3.022 . 0 0 "[ . 1 . 2]" 1
632 1 37 SER H 1 38 GLU H . . 3.690 2.633 2.313 2.799 . 0 0 "[ . 1 . 2]" 1
633 1 37 SER H 1 38 GLU HB2 . . 4.690 4.425 4.155 4.605 . 0 0 "[ . 1 . 2]" 1
634 1 37 SER HA 1 38 GLU H . . 4.380 3.598 3.559 3.622 . 0 0 "[ . 1 . 2]" 1
635 1 37 SER HA 1 38 GLU HA . . 5.210 4.866 4.772 4.904 . 0 0 "[ . 1 . 2]" 1
636 1 37 SER HA 1 40 LEU H . . 4.190 4.021 3.788 4.280 0.090 12 0 "[ . 1 . 2]" 1
637 1 37 SER QB 1 38 GLU H . . 4.180 2.703 2.450 3.115 . 0 0 "[ . 1 . 2]" 1
638 1 37 SER QB 1 40 LEU QD . . 5.210 4.400 4.053 4.931 . 0 0 "[ . 1 . 2]" 1
639 1 38 GLU H 1 38 GLU HB2 . . 3.690 2.062 2.011 2.272 . 0 0 "[ . 1 . 2]" 1
640 1 38 GLU H 1 38 GLU HB3 . . 3.520 2.932 2.796 3.532 0.012 3 0 "[ . 1 . 2]" 1
641 1 38 GLU H 1 38 GLU QG . . 4.340 3.598 2.452 3.738 . 0 0 "[ . 1 . 2]" 1
642 1 38 GLU H 1 39 GLU H . . 3.460 2.998 2.795 3.062 . 0 0 "[ . 1 . 2]" 1
643 1 38 GLU HA 1 39 GLU H . . 4.390 3.548 3.402 3.578 . 0 0 "[ . 1 . 2]" 1
644 1 38 GLU HA 1 39 GLU HA . . 6.140 4.892 4.825 4.914 . 0 0 "[ . 1 . 2]" 1
645 1 38 GLU HA 1 41 PHE QB . . 4.220 3.019 2.938 3.272 . 0 0 "[ . 1 . 2]" 1
646 1 38 GLU HA 1 42 TRP H . . 4.130 4.177 3.927 4.232 0.102 19 0 "[ . 1 . 2]" 1
647 1 38 GLU HB2 1 39 GLU H . . 4.950 3.804 3.131 3.914 . 0 0 "[ . 1 . 2]" 1
648 1 38 GLU HB3 1 42 TRP HD1 . . 4.130 3.028 2.299 3.194 . 0 0 "[ . 1 . 2]" 1
649 1 38 GLU QG 1 39 GLU H . . 4.050 4.271 4.145 4.487 0.437 3 0 "[ . 1 . 2]" 1
650 1 38 GLU QG 1 42 TRP HD1 . . 3.820 2.548 2.423 3.741 . 0 0 "[ . 1 . 2]" 1
651 1 38 GLU QG 1 42 TRP HE1 . . 4.350 2.589 2.423 4.005 . 0 0 "[ . 1 . 2]" 1
652 1 39 GLU H 1 41 PHE QD . . 4.900 4.390 4.239 5.124 0.224 1 0 "[ . 1 . 2]" 1
653 1 39 GLU H 1 42 TRP HD1 . . 4.720 4.050 3.917 4.576 . 0 0 "[ . 1 . 2]" 1
654 1 39 GLU HA 1 40 LEU H . . 3.430 3.514 3.494 3.539 0.109 12 0 "[ . 1 . 2]" 1
655 1 39 GLU HA 1 42 TRP H . . 3.940 3.404 3.275 3.627 . 0 0 "[ . 1 . 2]" 1
656 1 39 GLU HA 1 42 TRP QB . . 3.860 2.373 2.308 2.546 . 0 0 "[ . 1 . 2]" 1
657 1 39 GLU HA 1 42 TRP HD1 . . 3.800 2.823 2.621 3.772 . 0 0 "[ . 1 . 2]" 1
658 1 39 GLU QB 1 40 LEU H . . 4.540 2.747 2.612 3.466 . 0 0 "[ . 1 . 2]" 1
659 1 39 GLU QG 1 40 LEU H . . 4.540 3.496 2.120 3.625 . 0 0 "[ . 1 . 2]" 1
660 1 40 LEU H 1 40 LEU QB . . 3.430 2.175 2.130 2.198 . 0 0 "[ . 1 . 2]" 1
661 1 40 LEU H 1 40 LEU HG . . 4.540 4.521 4.362 4.601 0.061 12 0 "[ . 1 . 2]" 1
662 1 40 LEU H 1 41 PHE H . . 2.890 2.640 2.340 2.768 . 0 0 "[ . 1 . 2]" 1
663 1 40 LEU H 1 41 PHE QE . . 4.450 4.422 4.281 4.585 0.135 13 0 "[ . 1 . 2]" 1
664 1 40 LEU HA 1 40 LEU HG . . 3.820 3.346 2.970 3.729 . 0 0 "[ . 1 . 2]" 1
665 1 40 LEU HA 1 41 PHE H . . 3.950 3.557 3.542 3.571 . 0 0 "[ . 1 . 2]" 1
666 1 40 LEU HA 1 41 PHE QE . . 5.850 5.857 5.665 5.959 0.109 8 0 "[ . 1 . 2]" 1
667 1 40 LEU HA 1 43 GLU H . . 3.960 3.551 3.291 3.778 . 0 0 "[ . 1 . 2]" 1
668 1 40 LEU HA 1 43 GLU QB . . 3.750 3.053 2.595 3.357 . 0 0 "[ . 1 . 2]" 1
669 1 40 LEU QB 1 41 PHE H . . 4.720 2.333 2.110 2.722 . 0 0 "[ . 1 . 2]" 1
670 1 40 LEU QB 1 41 PHE QB . . 5.850 4.301 4.057 4.687 . 0 0 "[ . 1 . 2]" 1
671 1 40 LEU QB 1 43 GLU QB . . 4.650 4.770 4.459 5.076 0.426 3 0 "[ . 1 . 2]" 1
672 1 40 LEU QD 1 41 PHE H . . 3.890 3.076 2.703 3.528 . 0 0 "[ . 1 . 2]" 1
673 1 40 LEU QD 1 41 PHE QD . . 4.650 3.071 2.433 3.384 . 0 0 "[ . 1 . 2]" 1
674 1 40 LEU QD 1 41 PHE QE . . 5.050 2.712 2.203 2.909 . 0 0 "[ . 1 . 2]" 1
675 1 40 LEU QD 1 43 GLU HA . . 6.370 5.551 5.318 5.771 . 0 0 "[ . 1 . 2]" 1
676 1 40 LEU QD 1 43 GLU QG . . 4.650 4.326 3.804 4.806 0.156 13 0 "[ . 1 . 2]" 1
677 1 40 LEU QD 1 44 VAL H . . 4.650 3.510 3.305 4.089 . 0 0 "[ . 1 . 2]" 1
678 1 41 PHE HA 1 42 TRP H . . 4.130 3.586 3.567 3.613 . 0 0 "[ . 1 . 2]" 1
679 1 41 PHE HA 1 44 VAL H . . 3.920 3.388 3.200 3.581 . 0 0 "[ . 1 . 2]" 1
680 1 41 PHE HA 1 44 VAL HB . . 5.210 4.692 3.130 4.862 . 0 0 "[ . 1 . 2]" 1
681 1 41 PHE HA 1 44 VAL QG . . 3.610 1.945 1.885 2.234 . 0 0 "[ . 1 . 2]" 1
682 1 41 PHE QB 1 42 TRP H . . 3.960 2.664 2.478 2.764 . 0 0 "[ . 1 . 2]" 1
683 1 41 PHE QD 1 42 TRP HD1 . . 5.050 5.113 5.087 5.132 0.082 14 0 "[ . 1 . 2]" 1
684 1 42 TRP H 1 42 TRP QB . . 3.520 2.243 2.186 2.299 . 0 0 "[ . 1 . 2]" 1
685 1 42 TRP H 1 42 TRP HD1 . . 4.050 3.097 2.981 3.187 . 0 0 "[ . 1 . 2]" 1
686 1 42 TRP H 1 42 TRP HE3 . . 5.940 5.098 4.967 5.179 . 0 0 "[ . 1 . 2]" 1
687 1 42 TRP H 1 43 GLU H . . 3.360 2.888 2.837 2.975 . 0 0 "[ . 1 . 2]" 1
688 1 42 TRP H 1 43 GLU QG . . 5.100 5.882 4.616 6.578 1.478 14 13 "[ * ***** -***+* *]" 1
689 1 42 TRP HA 1 42 TRP HE3 . . 4.180 2.604 2.447 2.729 . 0 0 "[ . 1 . 2]" 1
690 1 42 TRP HA 1 45 MET H . . 4.050 3.684 3.518 3.927 . 0 0 "[ . 1 . 2]" 1
691 1 42 TRP QB 1 43 GLU H . . 4.090 2.928 2.769 3.131 . 0 0 "[ . 1 . 2]" 1
692 1 42 TRP HE3 1 45 MET QB . . 4.500 3.448 2.978 4.079 . 0 0 "[ . 1 . 2]" 1
693 1 42 TRP HH2 1 56 VAL MG2 . . 4.480 4.489 4.366 4.518 0.038 18 0 "[ . 1 . 2]" 1
694 1 43 GLU H 1 46 ASP HB3 . . 5.040 5.094 5.049 5.130 0.090 2 0 "[ . 1 . 2]" 1
695 1 43 GLU HA 1 43 GLU QG . . 3.870 2.564 2.301 2.919 . 0 0 "[ . 1 . 2]" 1
696 1 43 GLU HA 1 44 VAL H . . 3.080 3.641 3.568 3.666 0.586 12 19 "[ **********+*****-**]" 1
697 1 43 GLU HA 1 44 VAL HA . . 5.210 4.709 4.618 4.769 . 0 0 "[ . 1 . 2]" 1
698 1 43 GLU HA 1 46 ASP H . . 4.000 3.454 3.232 3.868 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLU HA 1 46 ASP HB2 . . 3.370 3.332 3.021 3.441 0.071 17 0 "[ . 1 . 2]" 1
700 1 43 GLU HA 1 46 ASP HB3 . . 3.640 2.565 2.344 2.773 . 0 0 "[ . 1 . 2]" 1
701 1 44 VAL H 1 44 VAL HB . . 3.400 3.477 2.176 3.565 0.165 1 0 "[ . 1 . 2]" 1
702 1 44 VAL H 1 45 MET H . . 3.230 2.614 2.238 2.771 . 0 0 "[ . 1 . 2]" 1
703 1 44 VAL H 1 45 MET QB . . 5.940 4.311 3.836 4.442 . 0 0 "[ . 1 . 2]" 1
704 1 44 VAL HA 1 44 VAL QG . . 3.170 2.175 2.135 2.225 . 0 0 "[ . 1 . 2]" 1
705 1 44 VAL HA 1 45 MET H . . 3.700 3.566 3.544 3.597 . 0 0 "[ . 1 . 2]" 1
706 1 44 VAL HA 1 46 ASP H . . 4.250 4.278 4.127 4.328 0.078 8 0 "[ . 1 . 2]" 1
707 1 44 VAL HA 1 47 GLU H . . 4.240 3.116 2.793 3.456 . 0 0 "[ . 1 . 2]" 1
708 1 44 VAL HA 1 47 GLU QB . . 3.990 2.221 2.075 2.949 . 0 0 "[ . 1 . 2]" 1
709 1 44 VAL HA 1 47 GLU QG . . 3.960 3.276 3.117 3.378 . 0 0 "[ . 1 . 2]" 1
710 1 44 VAL HB 1 45 MET H . . 3.410 3.540 3.523 3.569 0.159 16 0 "[ . 1 . 2]" 1
711 1 44 VAL HB 1 45 MET HA . . 5.210 4.569 4.340 5.495 0.285 4 0 "[ . 1 . 2]" 1
712 1 44 VAL QG 1 45 MET H . . 4.410 2.106 2.030 2.151 . 0 0 "[ . 1 . 2]" 1
713 1 44 VAL QG 1 45 MET QB . . 3.990 3.459 2.898 3.793 . 0 0 "[ . 1 . 2]" 1
714 1 44 VAL QG 1 75 VAL MG1 . . 3.550 3.468 2.544 3.554 0.004 12 0 "[ . 1 . 2]" 1
715 1 45 MET H 1 45 MET QB . . 3.450 2.236 2.139 2.418 . 0 0 "[ . 1 . 2]" 1
716 1 45 MET H 1 45 MET ME . . 4.290 3.939 3.229 4.383 0.093 13 0 "[ . 1 . 2]" 1
717 1 45 MET H 1 45 MET HG3 . . 4.120 3.936 3.400 4.318 0.198 2 0 "[ . 1 . 2]" 1
718 1 45 MET H 1 46 ASP H . . 3.800 2.789 2.731 2.906 . 0 0 "[ . 1 . 2]" 1
719 1 45 MET H 1 47 GLU H . . 4.170 4.206 4.159 4.239 0.069 12 0 "[ . 1 . 2]" 1
720 1 45 MET H 1 48 VAL H . . 6.670 5.108 4.657 5.299 . 0 0 "[ . 1 . 2]" 1
721 1 45 MET HA 1 45 MET ME . . 3.940 2.514 2.054 3.328 . 0 0 "[ . 1 . 2]" 1
722 1 45 MET HA 1 45 MET HG3 . . 4.030 3.207 2.295 3.777 . 0 0 "[ . 1 . 2]" 1
723 1 45 MET HA 1 46 ASP H . . 4.020 3.611 3.571 3.651 . 0 0 "[ . 1 . 2]" 1
724 1 45 MET HA 1 46 ASP HA . . 4.650 4.841 4.809 4.921 0.271 1 0 "[ . 1 . 2]" 1
725 1 45 MET HA 1 48 VAL H . . 4.260 3.545 3.046 3.808 . 0 0 "[ . 1 . 2]" 1
726 1 45 MET HA 1 48 VAL HB . . 3.710 3.819 2.344 5.362 1.652 13 9 "[ - * *** +*. ** 2]" 1
727 1 45 MET HA 1 48 VAL MG2 . . 3.350 2.777 2.087 3.419 0.069 20 0 "[ . 1 . 2]" 1
728 1 45 MET QB 1 46 ASP H . . 4.290 2.628 2.413 2.859 . 0 0 "[ . 1 . 2]" 1
729 1 45 MET ME 1 48 VAL MG2 . . 3.440 3.250 2.439 3.489 0.049 16 0 "[ . 1 . 2]" 1
730 1 45 MET ME 1 77 LYS HE2 . . 5.040 4.250 3.181 5.101 0.061 14 0 "[ . 1 . 2]" 1
731 1 45 MET ME 1 77 LYS HE3 . . 4.660 4.544 3.951 4.693 0.033 7 0 "[ . 1 . 2]" 1
732 1 45 MET HG3 1 46 ASP H . . 4.760 4.473 3.605 4.948 0.188 1 0 "[ . 1 . 2]" 1
733 1 46 ASP H 1 46 ASP HB2 . . 3.190 2.564 2.507 2.626 . 0 0 "[ . 1 . 2]" 1
734 1 46 ASP H 1 46 ASP HB3 . . 3.370 2.537 2.443 2.636 . 0 0 "[ . 1 . 2]" 1
735 1 46 ASP H 1 47 GLU H . . 3.140 2.788 2.664 2.958 . 0 0 "[ . 1 . 2]" 1
736 1 46 ASP HA 1 46 ASP HB2 . . 3.060 2.429 2.391 2.457 . 0 0 "[ . 1 . 2]" 1
737 1 46 ASP HA 1 47 GLU H . . 3.620 3.587 3.564 3.612 . 0 0 "[ . 1 . 2]" 1
738 1 46 ASP HA 1 49 HIS H . . 3.100 3.120 2.909 3.200 0.100 5 0 "[ . 1 . 2]" 1
739 1 46 ASP HA 1 49 HIS QB . . 3.620 2.085 2.034 2.243 . 0 0 "[ . 1 . 2]" 1
740 1 46 ASP HB2 1 47 GLU H . . 3.870 3.975 3.943 4.009 0.139 18 0 "[ . 1 . 2]" 1
741 1 46 ASP HB3 1 47 GLU H . . 3.830 2.705 2.640 2.799 . 0 0 "[ . 1 . 2]" 1
742 1 47 GLU H 1 47 GLU QB . . 3.170 1.975 1.930 2.085 . 0 0 "[ . 1 . 2]" 1
743 1 47 GLU H 1 47 GLU QG . . 3.940 3.292 2.990 3.669 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLU H 1 48 VAL H . . 2.730 2.764 2.648 2.819 0.089 6 0 "[ . 1 . 2]" 1
745 1 47 GLU H 1 48 VAL MG2 . . 4.460 4.025 3.768 4.231 . 0 0 "[ . 1 . 2]" 1
746 1 47 GLU HA 1 48 VAL H . . 4.300 3.424 3.333 3.596 . 0 0 "[ . 1 . 2]" 1
747 1 47 GLU HA 1 48 VAL MG2 . . 5.210 4.774 4.298 5.243 0.033 8 0 "[ . 1 . 2]" 1
748 1 47 GLU HA 1 49 HIS H . . 5.940 4.175 3.951 4.431 . 0 0 "[ . 1 . 2]" 1
749 1 47 GLU QB 1 48 VAL MG2 . . 4.650 3.432 2.654 4.242 . 0 0 "[ . 1 . 2]" 1
750 1 47 GLU QG 1 48 VAL H . . 5.940 4.364 2.781 4.856 . 0 0 "[ . 1 . 2]" 1
751 1 48 VAL H 1 48 VAL HB . . 4.100 3.177 2.336 3.875 . 0 0 "[ . 1 . 2]" 1
752 1 48 VAL H 1 48 VAL MG2 . . 4.020 2.533 2.165 2.859 . 0 0 "[ . 1 . 2]" 1
753 1 48 VAL HA 1 48 VAL MG1 . . 3.550 2.398 2.315 2.533 . 0 0 "[ . 1 . 2]" 1
754 1 48 VAL HA 1 48 VAL MG2 . . 3.550 2.867 2.430 3.276 . 0 0 "[ . 1 . 2]" 1
755 1 48 VAL HA 1 49 HIS QB . . 5.850 5.025 4.807 5.175 . 0 0 "[ . 1 . 2]" 1
756 1 48 VAL HA 1 51 GLU H . . 3.930 4.054 3.710 4.151 0.221 13 0 "[ . 1 . 2]" 1
757 1 48 VAL HB 1 51 GLU H . . 3.230 4.692 3.724 5.329 2.099 15 19 "[******** *****+**-**]" 1
758 1 48 VAL MG1 1 49 HIS H . . 4.130 4.205 3.950 4.294 0.164 9 0 "[ . 1 . 2]" 1
759 1 48 VAL MG1 1 49 HIS HD2 . . 5.850 5.753 5.098 5.959 0.109 17 0 "[ . 1 . 2]" 1
760 1 48 VAL MG2 1 49 HIS H . . 5.940 3.766 2.941 4.312 . 0 0 "[ . 1 . 2]" 1
761 1 48 VAL MG2 1 52 GLU QG . . 4.340 3.036 1.956 4.100 . 0 0 "[ . 1 . 2]" 1
762 1 49 HIS H 1 49 HIS HA . . 3.100 2.670 2.586 2.739 . 0 0 "[ . 1 . 2]" 1
763 1 49 HIS H 1 49 HIS QB . . 3.170 2.125 2.016 2.235 . 0 0 "[ . 1 . 2]" 1
764 1 49 HIS H 1 52 GLU QG . . 5.000 4.438 3.638 4.733 . 0 0 "[ . 1 . 2]" 1
765 1 49 HIS HA 1 49 HIS HD2 . . 3.170 2.378 2.187 2.605 . 0 0 "[ . 1 . 2]" 1
766 1 49 HIS HA 1 52 GLU HB2 . . 3.550 2.016 1.958 2.108 . 0 0 "[ . 1 . 2]" 1
767 1 49 HIS HA 1 52 GLU HB3 . . 3.550 3.418 2.378 3.654 0.104 10 0 "[ . 1 . 2]" 1
768 1 49 HIS HA 1 53 GLU HB3 . . 5.210 4.732 4.163 5.136 . 0 0 "[ . 1 . 2]" 1
769 1 49 HIS QB 1 49 HIS HD2 . . 3.680 2.915 2.760 3.214 . 0 0 "[ . 1 . 2]" 1
770 1 49 HIS HD2 1 53 GLU QG . . 5.050 6.171 5.319 6.981 1.931 8 17 "[** ** *+*******-** *]" 1
771 1 49 HIS HD2 1 56 VAL MG1 . . 5.210 4.332 3.025 5.238 0.028 8 0 "[ . 1 . 2]" 1
772 1 49 HIS HD2 1 56 VAL MG2 . . 5.210 4.734 3.636 5.242 0.032 19 0 "[ . 1 . 2]" 1
773 1 50 GLU HA 1 50 GLU HG3 . . 3.550 3.137 2.546 3.705 0.155 2 0 "[ . 1 . 2]" 1
774 1 50 GLU HA 1 51 GLU H . . 3.350 3.476 3.386 3.519 0.169 13 0 "[ . 1 . 2]" 1
775 1 50 GLU HA 1 53 GLU H . . 3.990 3.968 3.744 4.161 0.171 2 0 "[ . 1 . 2]" 1
776 1 51 GLU H 1 51 GLU HB2 . . 3.610 2.419 2.338 2.553 . 0 0 "[ . 1 . 2]" 1
777 1 51 GLU H 1 51 GLU HB3 . . 3.610 3.634 3.595 3.705 0.095 15 0 "[ . 1 . 2]" 1
778 1 51 GLU H 1 51 GLU HG2 . . 4.010 4.006 3.822 4.141 0.131 2 0 "[ . 1 . 2]" 1
779 1 51 GLU H 1 51 GLU HG3 . . 3.400 2.882 2.618 3.296 . 0 0 "[ . 1 . 2]" 1
780 1 51 GLU H 1 52 GLU H . . 3.590 2.195 1.947 2.524 . 0 0 "[ . 1 . 2]" 1
781 1 51 GLU HA 1 51 GLU HG2 . . 2.840 2.480 2.230 2.795 . 0 0 "[ . 1 . 2]" 1
782 1 51 GLU HA 1 51 GLU HG3 . . 2.800 2.885 2.820 2.925 0.125 8 0 "[ . 1 . 2]" 1
783 1 51 GLU HA 1 52 GLU H . . 3.930 3.457 3.247 3.621 . 0 0 "[ . 1 . 2]" 1
784 1 52 GLU H 1 52 GLU HB2 . . 3.710 2.380 1.990 2.626 . 0 0 "[ . 1 . 2]" 1
785 1 52 GLU H 1 52 GLU HB3 . . 3.820 3.581 3.154 3.730 . 0 0 "[ . 1 . 2]" 1
786 1 52 GLU H 1 52 GLU QG . . 4.020 2.836 2.235 3.387 . 0 0 "[ . 1 . 2]" 1
787 1 52 GLU H 1 53 GLU HB3 . . 5.940 4.659 4.123 5.280 . 0 0 "[ . 1 . 2]" 1
788 1 52 GLU HA 1 52 GLU HB2 . . 2.960 2.975 2.828 3.012 0.052 2 0 "[ . 1 . 2]" 1
789 1 52 GLU HA 1 52 GLU HB3 . . 2.890 2.580 2.422 2.919 0.029 11 0 "[ . 1 . 2]" 1
790 1 52 GLU HA 1 52 GLU QG . . 3.550 2.754 2.309 3.043 . 0 0 "[ . 1 . 2]" 1
791 1 52 GLU HA 1 55 ALA H . . 3.880 3.278 2.734 3.563 . 0 0 "[ . 1 . 2]" 1
792 1 52 GLU HA 1 55 ALA MB . . 2.780 2.545 2.196 2.802 0.022 3 0 "[ . 1 . 2]" 1
793 1 52 GLU HB2 1 53 GLU H . . 4.060 3.196 2.918 3.585 . 0 0 "[ . 1 . 2]" 1
794 1 53 GLU H 1 53 GLU HB3 . . 3.370 2.485 2.429 2.551 . 0 0 "[ . 1 . 2]" 1
795 1 53 GLU H 1 53 GLU QG . . 3.370 2.201 2.142 2.279 . 0 0 "[ . 1 . 2]" 1
796 1 54 PHE H 1 54 PHE HB3 . . 4.050 3.067 2.451 3.763 . 0 0 "[ . 1 . 2]" 1
797 1 54 PHE H 1 55 ALA HA . . 3.480 4.990 4.714 5.205 1.725 2 20 [*+****************-*] 1
798 1 54 PHE H 1 55 ALA MB . . 3.990 3.810 3.468 4.002 0.012 14 0 "[ . 1 . 2]" 1
799 1 54 PHE HA 1 54 PHE QD . . 4.250 3.105 2.327 3.791 . 0 0 "[ . 1 . 2]" 1
800 1 54 PHE HA 1 55 ALA MB . . 5.210 4.675 4.582 4.764 . 0 0 "[ . 1 . 2]" 1
801 1 54 PHE QD 1 55 ALA MB . . 4.650 3.599 2.650 4.681 0.031 2 0 "[ . 1 . 2]" 1
802 1 55 ALA H 1 55 ALA MB . . 3.350 2.550 2.429 2.641 . 0 0 "[ . 1 . 2]" 1
803 1 55 ALA HA 1 56 VAL H . . 3.610 3.303 2.804 3.614 0.004 4 0 "[ . 1 . 2]" 1
804 1 55 ALA HA 1 56 VAL HA . . 5.210 4.603 4.426 4.689 . 0 0 "[ . 1 . 2]" 1
805 1 55 ALA HA 1 56 VAL MG1 . . 5.850 4.855 4.599 5.118 . 0 0 "[ . 1 . 2]" 1
806 1 55 ALA HA 1 56 VAL MG2 . . 5.850 5.668 4.771 5.979 0.129 3 0 "[ . 1 . 2]" 1
807 1 55 ALA MB 1 56 VAL H . . 4.050 3.358 2.945 3.739 . 0 0 "[ . 1 . 2]" 1
808 1 55 ALA MB 1 56 VAL HA . . 4.650 4.187 3.965 4.396 . 0 0 "[ . 1 . 2]" 1
809 1 55 ALA MB 1 57 GLU QG . . 4.340 3.725 3.420 3.814 . 0 0 "[ . 1 . 2]" 1
810 1 56 VAL H 1 56 VAL MG1 . . 3.780 2.165 1.920 3.097 . 0 0 "[ . 1 . 2]" 1
811 1 56 VAL HA 1 56 VAL MG1 . . 3.190 2.984 2.287 3.278 0.088 19 0 "[ . 1 . 2]" 1
812 1 56 VAL HA 1 56 VAL MG2 . . 3.340 2.578 2.205 3.279 . 0 0 "[ . 1 . 2]" 1
813 1 56 VAL HA 1 57 GLU QG . . 4.650 4.082 3.949 4.240 . 0 0 "[ . 1 . 2]" 1
814 1 56 VAL HA 1 58 GLY H . . 3.610 3.326 2.472 3.631 0.021 2 0 "[ . 1 . 2]" 1
815 1 56 VAL MG2 1 57 GLU HA . . 5.210 4.263 4.037 4.799 . 0 0 "[ . 1 . 2]" 1
816 1 56 VAL MG2 1 57 GLU QB . . 5.850 4.682 4.344 5.462 . 0 0 "[ . 1 . 2]" 1
817 1 56 VAL MG2 1 58 GLY H . . 5.070 4.267 3.253 5.114 0.044 20 0 "[ . 1 . 2]" 1
818 1 57 GLU H 1 57 GLU QG . . 4.650 2.242 1.759 2.490 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLU HA 1 58 GLY H . . 3.370 3.018 2.761 3.441 0.071 17 0 "[ . 1 . 2]" 1
820 1 57 GLU HA 1 58 GLY QA . . 5.100 4.209 4.095 4.400 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLU QB 1 58 GLY H . . 4.830 3.965 3.657 4.102 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLU QG 1 58 GLY QA . . 4.650 3.903 3.360 5.410 0.760 9 1 "[ . +1 . 2]" 1
823 1 58 GLY H 1 59 PRO HD3 . . 5.430 5.008 4.911 5.158 . 0 0 "[ . 1 . 2]" 1
824 1 58 GLY QA 1 59 PRO HD3 . . 3.220 2.462 2.383 2.537 . 0 0 "[ . 1 . 2]" 1
825 1 59 PRO HA 1 59 PRO HB3 . . 2.960 2.298 2.282 2.318 . 0 0 "[ . 1 . 2]" 1
826 1 59 PRO HA 1 59 PRO HD3 . . 4.140 3.541 3.491 3.625 . 0 0 "[ . 1 . 2]" 1
827 1 59 PRO HA 1 60 LEU H . . 2.960 2.465 2.357 2.597 . 0 0 "[ . 1 . 2]" 1
828 1 59 PRO HB2 1 59 PRO HD3 . . 3.860 3.891 3.874 3.907 0.047 8 0 "[ . 1 . 2]" 1
829 1 59 PRO HB3 1 59 PRO HD3 . . 3.900 2.837 2.789 2.876 . 0 0 "[ . 1 . 2]" 1
830 1 59 PRO HD3 1 78 ALA MB . . 4.420 4.331 3.667 4.464 0.044 8 0 "[ . 1 . 2]" 1
831 1 59 PRO QG 1 60 LEU H . . 4.970 4.036 3.894 4.070 . 0 0 "[ . 1 . 2]" 1
832 1 59 PRO QG 1 61 TRP HD1 . . 5.100 3.540 3.083 3.828 . 0 0 "[ . 1 . 2]" 1
833 1 59 PRO QG 1 61 TRP HE1 . . 3.610 2.313 1.975 2.884 . 0 0 "[ . 1 . 2]" 1
834 1 59 PRO QG 1 78 ALA HA . . 5.210 4.776 4.542 5.349 0.139 9 0 "[ . 1 . 2]" 1
835 1 59 PRO QG 1 78 ALA MB . . 4.260 2.779 2.397 3.622 . 0 0 "[ . 1 . 2]" 1
836 1 60 LEU H 1 60 LEU HB2 . . 3.370 3.018 2.414 3.317 . 0 0 "[ . 1 . 2]" 1
837 1 60 LEU HB3 1 61 TRP HA . . 4.580 4.604 4.254 4.687 0.107 19 0 "[ . 1 . 2]" 1
838 1 61 TRP HA 1 61 TRP HD1 . . 4.220 4.181 4.091 4.247 0.027 8 0 "[ . 1 . 2]" 1
839 1 61 TRP HA 1 61 TRP HE1 . . 5.820 5.609 5.493 5.696 . 0 0 "[ . 1 . 2]" 1
840 1 61 TRP HB2 1 61 TRP HD1 . . 3.860 2.590 2.527 2.669 . 0 0 "[ . 1 . 2]" 1
841 1 61 TRP HB2 1 61 TRP HE3 . . 3.990 4.095 4.078 4.113 0.123 9 0 "[ . 1 . 2]" 1
842 1 61 TRP HB2 1 76 THR HB . . 4.650 4.002 3.879 4.076 . 0 0 "[ . 1 . 2]" 1
843 1 61 TRP HB2 1 76 THR MG . . 3.540 3.389 2.375 3.560 0.020 9 0 "[ . 1 . 2]" 1
844 1 61 TRP HB3 1 61 TRP HD1 . . 3.860 3.781 3.737 3.824 . 0 0 "[ . 1 . 2]" 1
845 1 61 TRP HB3 1 61 TRP HE3 . . 3.990 2.647 2.603 2.684 . 0 0 "[ . 1 . 2]" 1
846 1 61 TRP HB3 1 76 THR HB . . 4.650 4.761 4.703 4.808 0.158 19 0 "[ . 1 . 2]" 1
847 1 61 TRP HB3 1 76 THR MG . . 3.550 3.516 2.607 3.651 0.101 6 0 "[ . 1 . 2]" 1
848 1 61 TRP HD1 1 76 THR HA . . 5.850 5.204 4.889 5.397 . 0 0 "[ . 1 . 2]" 1
849 1 61 TRP HD1 1 76 THR HB . . 5.020 5.124 5.062 5.188 0.168 9 0 "[ . 1 . 2]" 1
850 1 61 TRP HD1 1 77 LYS QD . . 5.110 4.842 4.536 5.018 . 0 0 "[ . 1 . 2]" 1
851 1 61 TRP HD1 1 77 LYS QG . . 4.550 3.331 3.091 3.426 . 0 0 "[ . 1 . 2]" 1
852 1 61 TRP HD1 1 78 ALA MB . . 5.010 4.567 3.834 5.029 0.019 3 0 "[ . 1 . 2]" 1
853 1 61 TRP HE1 1 78 ALA MB . . 4.050 2.974 2.254 4.017 . 0 0 "[ . 1 . 2]" 1
854 1 61 TRP HE3 1 76 THR MG . . 5.670 5.475 4.679 5.637 . 0 0 "[ . 1 . 2]" 1
855 1 62 ILE HB 1 63 GLN H . . 4.930 3.810 2.994 3.963 . 0 0 "[ . 1 . 2]" 1
856 1 62 ILE MD 1 75 VAL MG1 . . 3.550 2.178 1.916 3.673 0.123 9 0 "[ . 1 . 2]" 1
857 1 62 ILE MD 1 75 VAL MG2 . . 3.610 3.565 2.948 3.689 0.079 15 0 "[ . 1 . 2]" 1
858 1 62 ILE MD 1 76 THR MG . . 5.210 5.150 4.715 5.265 0.055 9 0 "[ . 1 . 2]" 1
859 1 62 ILE MG 1 63 GLN H . . 4.850 2.585 2.293 4.267 . 0 0 "[ . 1 . 2]" 1
860 1 62 ILE MG 1 73 ILE MG . . 3.550 2.435 2.052 3.897 0.347 9 0 "[ . 1 . 2]" 1
861 1 62 ILE MG 1 74 ILE H . . 5.940 4.072 3.584 5.967 0.027 9 0 "[ . 1 . 2]" 1
862 1 62 ILE MG 1 75 VAL MG1 . . 2.870 2.399 1.973 2.906 0.036 4 0 "[ . 1 . 2]" 1
863 1 62 ILE MG 1 75 VAL MG2 . . 4.170 3.882 2.439 4.328 0.158 17 0 "[ . 1 . 2]" 1
864 1 63 GLN H 1 63 GLN QG . . 4.930 3.801 2.406 4.181 . 0 0 "[ . 1 . 2]" 1
865 1 63 GLN H 1 64 VAL QG . . 5.290 4.798 4.519 4.954 . 0 0 "[ . 1 . 2]" 1
866 1 63 GLN H 1 73 ILE MG . . 4.500 3.435 2.880 3.810 . 0 0 "[ . 1 . 2]" 1
867 1 63 GLN H 1 75 VAL H . . 4.940 4.931 4.817 5.000 0.060 6 0 "[ . 1 . 2]" 1
868 1 63 GLN H 1 75 VAL HA . . 3.550 3.454 3.250 3.621 0.071 10 0 "[ . 1 . 2]" 1
869 1 63 GLN H 1 76 THR MG . . 4.040 4.111 4.070 4.159 0.119 1 0 "[ . 1 . 2]" 1
870 1 63 GLN HA 1 63 GLN QG . . 3.990 2.710 2.455 3.456 . 0 0 "[ . 1 . 2]" 1
871 1 63 GLN HA 1 64 VAL H . . 2.720 2.423 2.235 2.589 . 0 0 "[ . 1 . 2]" 1
872 1 63 GLN QB 1 63 GLN HE21 . . 3.890 3.270 2.541 3.707 . 0 0 "[ . 1 . 2]" 1
873 1 63 GLN QB 1 63 GLN HE22 . . 4.420 3.844 3.307 4.052 . 0 0 "[ . 1 . 2]" 1
874 1 63 GLN QB 1 64 VAL H . . 4.460 3.450 2.329 4.054 . 0 0 "[ . 1 . 2]" 1
875 1 63 GLN HE22 1 74 ILE MD . . 5.340 4.858 3.694 5.357 0.017 16 0 "[ . 1 . 2]" 1
876 1 63 GLN QG 1 64 VAL H . . 5.210 2.855 2.259 3.976 . 0 0 "[ . 1 . 2]" 1
877 1 63 GLN QG 1 74 ILE HB . . 4.140 3.286 2.040 4.105 . 0 0 "[ . 1 . 2]" 1
878 1 63 GLN QG 1 74 ILE MG . . 3.550 4.155 2.675 5.069 1.519 3 16 "[**+** ***1***** -* *]" 1
879 1 64 VAL H 1 64 VAL HB . . 3.550 3.099 2.542 3.292 . 0 0 "[ . 1 . 2]" 1
880 1 64 VAL H 1 64 VAL QG . . 3.990 2.353 2.073 2.466 . 0 0 "[ . 1 . 2]" 1
881 1 64 VAL H 1 65 GLN H . . 4.900 4.487 4.402 4.726 . 0 0 "[ . 1 . 2]" 1
882 1 64 VAL HA 1 65 GLN H . . 2.760 2.380 2.324 2.439 . 0 0 "[ . 1 . 2]" 1
883 1 64 VAL HA 1 65 GLN HE21 . . 4.210 3.240 2.788 3.683 . 0 0 "[ . 1 . 2]" 1
884 1 64 VAL HA 1 65 GLN HE22 . . 4.890 3.789 3.324 4.956 0.066 15 0 "[ . 1 . 2]" 1
885 1 64 VAL HA 1 72 GLU H . . 4.040 4.894 4.773 5.110 1.070 8 20 [*******+*********-**] 1
886 1 64 VAL HB 1 65 GLN H . . 4.680 4.117 3.956 4.282 . 0 0 "[ . 1 . 2]" 1
887 1 64 VAL QG 1 65 GLN H . . 3.990 2.201 2.063 2.411 . 0 0 "[ . 1 . 2]" 1
888 1 64 VAL QG 1 65 GLN HE21 . . 5.940 3.914 3.666 4.341 . 0 0 "[ . 1 . 2]" 1
889 1 64 VAL QG 1 66 ALA H . . 4.640 4.007 3.866 4.274 . 0 0 "[ . 1 . 2]" 1
890 1 64 VAL QG 1 72 GLU H . . 5.940 3.759 3.424 4.245 . 0 0 "[ . 1 . 2]" 1
891 1 64 VAL QG 1 73 ILE HA . . 3.920 2.788 2.145 3.745 . 0 0 "[ . 1 . 2]" 1
892 1 64 VAL QG 1 73 ILE QG . . 3.340 2.088 1.978 2.138 . 0 0 "[ . 1 . 2]" 1
893 1 64 VAL QG 1 74 ILE H . . 5.940 4.298 3.742 5.043 . 0 0 "[ . 1 . 2]" 1
894 1 65 GLN H 1 65 GLN HB2 . . 3.700 3.389 2.566 3.867 0.167 1 0 "[ . 1 . 2]" 1
895 1 65 GLN H 1 65 GLN HB3 . . 3.760 3.676 3.570 3.801 0.041 15 0 "[ . 1 . 2]" 1
896 1 65 GLN H 1 65 GLN HG2 . . 4.310 3.524 2.625 4.813 0.503 17 1 "[ . 1 . + 2]" 1
897 1 65 GLN H 1 67 LEU QD . . 5.940 3.822 3.726 3.902 . 0 0 "[ . 1 . 2]" 1
898 1 65 GLN H 1 71 LEU HA . . 4.370 4.384 4.255 4.441 0.071 1 0 "[ . 1 . 2]" 1
899 1 65 GLN H 1 72 GLU H . . 3.480 3.010 2.873 3.212 . 0 0 "[ . 1 . 2]" 1
900 1 65 GLN H 1 72 GLU HA . . 4.950 4.875 4.736 4.966 0.016 12 0 "[ . 1 . 2]" 1
901 1 65 GLN H 1 72 GLU QB . . 4.540 3.585 3.338 3.814 . 0 0 "[ . 1 . 2]" 1
902 1 65 GLN H 1 73 ILE HA . . 4.340 3.632 3.424 3.752 . 0 0 "[ . 1 . 2]" 1
903 1 65 GLN H 1 73 ILE MD . . 4.010 4.220 3.961 4.658 0.648 11 4 "[ - . * 1+* . 2]" 1
904 1 65 GLN HB2 1 66 ALA H . . 3.940 3.199 2.621 4.028 0.088 10 0 "[ . 1 . 2]" 1
905 1 65 GLN HB2 1 67 LEU QD . . 5.210 3.117 2.169 3.816 . 0 0 "[ . 1 . 2]" 1
906 1 65 GLN HB3 1 65 GLN HE22 . . 5.290 4.615 4.200 5.279 . 0 0 "[ . 1 . 2]" 1
907 1 65 GLN HB3 1 66 ALA H . . 3.990 3.414 2.748 3.889 . 0 0 "[ . 1 . 2]" 1
908 1 65 GLN HB3 1 67 LEU QD . . 5.210 3.817 2.382 4.768 . 0 0 "[ . 1 . 2]" 1
909 1 65 GLN HB3 1 72 GLU H . . 5.940 4.811 3.547 5.631 . 0 0 "[ . 1 . 2]" 1
910 1 65 GLN HE21 1 67 LEU QD . . 5.290 4.281 3.757 5.217 . 0 0 "[ . 1 . 2]" 1
911 1 65 GLN HE21 1 74 ILE MD . . 4.140 2.999 2.370 3.670 . 0 0 "[ . 1 . 2]" 1
912 1 65 GLN HE22 1 65 GLN HG2 . . 3.890 3.759 3.549 4.167 0.277 15 0 "[ . 1 . 2]" 1
913 1 65 GLN HE22 1 67 LEU QD . . 5.940 5.093 4.380 5.576 . 0 0 "[ . 1 . 2]" 1
914 1 65 GLN HE22 1 72 GLU QB . . 4.540 3.431 2.610 4.127 . 0 0 "[ . 1 . 2]" 1
915 1 65 GLN HE22 1 74 ILE MD . . 4.340 2.018 1.690 2.409 . 0 0 "[ . 1 . 2]" 1
916 1 65 GLN HG2 1 66 ALA H . . 4.650 4.490 4.263 5.026 0.376 10 0 "[ . 1 . 2]" 1
917 1 65 GLN HG2 1 67 LEU QD . . 4.650 2.947 2.306 4.252 . 0 0 "[ . 1 . 2]" 1
918 1 65 GLN HG2 1 72 GLU H . . 5.290 3.799 2.591 5.787 0.497 15 0 "[ . 1 . 2]" 1
919 1 66 ALA H 1 66 ALA MB . . 3.470 2.411 2.294 2.492 . 0 0 "[ . 1 . 2]" 1
920 1 66 ALA H 1 67 LEU H . . 4.540 4.444 4.320 4.545 0.005 19 0 "[ . 1 . 2]" 1
921 1 66 ALA H 1 67 LEU QD . . 4.520 3.881 3.583 4.230 . 0 0 "[ . 1 . 2]" 1
922 1 66 ALA H 1 71 LEU HA . . 5.210 4.818 4.745 4.913 . 0 0 "[ . 1 . 2]" 1
923 1 66 ALA HA 1 67 LEU H . . 3.160 2.162 2.107 2.207 . 0 0 "[ . 1 . 2]" 1
924 1 66 ALA HA 1 71 LEU HA . . 3.550 2.351 2.186 2.678 . 0 0 "[ . 1 . 2]" 1
925 1 66 ALA HA 1 71 LEU QD . . 4.340 2.581 2.242 3.239 . 0 0 "[ . 1 . 2]" 1
926 1 66 ALA MB 1 67 LEU H . . 3.590 2.904 2.765 3.071 . 0 0 "[ . 1 . 2]" 1
927 1 66 ALA MB 1 70 GLY H . . 5.850 4.916 4.624 5.160 . 0 0 "[ . 1 . 2]" 1
928 1 66 ALA MB 1 71 LEU HA . . 4.310 3.973 3.784 4.318 0.008 11 0 "[ . 1 . 2]" 1
929 1 66 ALA MB 1 71 LEU QD . . 3.990 2.430 1.979 3.497 . 0 0 "[ . 1 . 2]" 1
930 1 67 LEU H 1 67 LEU QB . . 3.480 2.497 2.454 2.541 . 0 0 "[ . 1 . 2]" 1
931 1 67 LEU H 1 67 LEU QD . . 4.340 2.515 2.469 2.583 . 0 0 "[ . 1 . 2]" 1
932 1 67 LEU H 1 67 LEU HG . . 3.550 3.577 3.563 3.588 0.038 13 0 "[ . 1 . 2]" 1
933 1 67 LEU H 1 70 GLY H . . 4.190 3.277 3.201 3.338 . 0 0 "[ . 1 . 2]" 1
934 1 67 LEU H 1 71 LEU H . . 4.950 4.668 4.610 4.746 . 0 0 "[ . 1 . 2]" 1
935 1 67 LEU H 1 71 LEU HA . . 4.010 2.764 2.658 2.880 . 0 0 "[ . 1 . 2]" 1
936 1 67 LEU H 1 72 GLU H . . 4.400 4.447 4.407 4.485 0.085 18 0 "[ . 1 . 2]" 1
937 1 67 LEU QB 1 67 LEU QD . . 2.750 1.918 1.911 1.929 . 0 0 "[ . 1 . 2]" 1
938 1 67 LEU QB 1 70 GLY H . . 4.540 3.163 3.097 3.232 . 0 0 "[ . 1 . 2]" 1
939 1 67 LEU QB 1 71 LEU HA . . 5.210 3.493 3.362 3.626 . 0 0 "[ . 1 . 2]" 1
940 1 67 LEU QD 1 68 ASP H . . 5.720 3.649 3.575 3.731 . 0 0 "[ . 1 . 2]" 1
941 1 67 LEU QD 1 68 ASP HA . . 6.370 5.534 5.500 5.569 . 0 0 "[ . 1 . 2]" 1
942 1 67 LEU QD 1 72 GLU QB . . 5.850 2.343 2.157 2.476 . 0 0 "[ . 1 . 2]" 1
943 1 67 LEU QD 1 72 GLU QG . . 5.210 2.230 2.111 2.380 . 0 0 "[ . 1 . 2]" 1
944 1 67 LEU HG 1 71 LEU HA . . 4.370 4.440 4.411 4.497 0.127 11 0 "[ . 1 . 2]" 1
945 1 67 LEU HG 1 72 GLU H . . 4.240 4.357 4.291 4.409 0.169 16 0 "[ . 1 . 2]" 1
946 1 68 ASP HA 1 69 LYS QG . . 6.080 4.289 4.253 4.305 . 0 0 "[ . 1 . 2]" 1
947 1 68 ASP HB3 1 69 LYS QG . . 4.650 3.116 2.976 3.278 . 0 0 "[ . 1 . 2]" 1
948 1 68 ASP HB3 1 70 GLY H . . 5.940 5.057 4.866 5.137 . 0 0 "[ . 1 . 2]" 1
949 1 69 LYS HA 1 69 LYS QD . . 3.060 2.172 2.149 2.212 . 0 0 "[ . 1 . 2]" 1
950 1 69 LYS HA 1 69 LYS QE . . 5.420 4.234 3.970 4.319 . 0 0 "[ . 1 . 2]" 1
951 1 69 LYS HA 1 69 LYS QG . . 3.990 2.937 2.902 2.960 . 0 0 "[ . 1 . 2]" 1
952 1 69 LYS QB 1 69 LYS QE . . 4.140 3.773 3.634 3.897 . 0 0 "[ . 1 . 2]" 1
953 1 70 GLY H 1 71 LEU H . . 5.250 4.332 4.293 4.354 . 0 0 "[ . 1 . 2]" 1
954 1 70 GLY QA 1 71 LEU H . . 4.260 2.268 2.243 2.286 . 0 0 "[ . 1 . 2]" 1
955 1 70 GLY QA 1 71 LEU HA . . 5.100 4.033 4.011 4.059 . 0 0 "[ . 1 . 2]" 1
956 1 71 LEU H 1 71 LEU QD . . 5.040 2.818 2.706 2.910 . 0 0 "[ . 1 . 2]" 1
957 1 71 LEU H 1 71 LEU HG . . 4.870 3.788 3.446 4.478 . 0 0 "[ . 1 . 2]" 1
958 1 71 LEU HA 1 72 GLU H . . 3.380 2.230 2.155 2.277 . 0 0 "[ . 1 . 2]" 1
959 1 71 LEU HA 1 72 GLU QB . . 5.850 4.509 4.350 4.569 . 0 0 "[ . 1 . 2]" 1
960 1 71 LEU HB2 1 72 GLU H . . 4.050 3.923 3.857 4.067 0.017 11 0 "[ . 1 . 2]" 1
961 1 71 LEU HB2 1 73 ILE MD . . 3.670 2.406 2.118 3.502 . 0 0 "[ . 1 . 2]" 1
962 1 71 LEU HB3 1 72 GLU H . . 4.050 2.873 2.779 2.997 . 0 0 "[ . 1 . 2]" 1
963 1 71 LEU QD 1 72 GLU H . . 4.720 4.005 3.863 4.268 . 0 0 "[ . 1 . 2]" 1
964 1 71 LEU QD 1 73 ILE MD . . 3.990 2.902 2.067 3.263 . 0 0 "[ . 1 . 2]" 1
965 1 72 GLU H 1 72 GLU HA . . 2.720 2.991 2.976 3.008 0.288 10 0 "[ . 1 . 2]" 1
966 1 72 GLU H 1 72 GLU QB . . 3.330 2.514 2.419 2.577 . 0 0 "[ . 1 . 2]" 1
967 1 72 GLU H 1 73 ILE HA . . 5.290 4.927 4.861 5.011 . 0 0 "[ . 1 . 2]" 1
968 1 72 GLU HA 1 73 ILE HA . . 4.280 4.435 4.425 4.446 0.166 1 0 "[ . 1 . 2]" 1
969 1 72 GLU QB 1 74 ILE H . . 5.940 4.787 4.516 4.888 . 0 0 "[ . 1 . 2]" 1
970 1 72 GLU QG 1 73 ILE H . . 4.360 3.768 3.610 4.010 . 0 0 "[ . 1 . 2]" 1
971 1 73 ILE H 1 73 ILE QG . . 4.300 3.594 2.884 3.851 . 0 0 "[ . 1 . 2]" 1
972 1 73 ILE H 1 73 ILE MG . . 3.610 3.880 3.810 3.920 0.310 12 0 "[ . 1 . 2]" 1
973 1 73 ILE H 1 74 ILE H . . 5.290 4.243 4.126 4.350 . 0 0 "[ . 1 . 2]" 1
974 1 73 ILE HA 1 73 ILE QG . . 3.940 2.792 2.472 2.938 . 0 0 "[ . 1 . 2]" 1
975 1 73 ILE HA 1 74 ILE H . . 2.860 2.209 2.140 2.247 . 0 0 "[ . 1 . 2]" 1
976 1 73 ILE HA 1 74 ILE HB . . 4.770 4.508 4.305 4.804 0.034 1 0 "[ . 1 . 2]" 1
977 1 73 ILE MG 1 74 ILE H . . 4.000 2.693 2.575 2.848 . 0 0 "[ . 1 . 2]" 1
978 1 74 ILE H 1 74 ILE HB . . 3.100 2.480 2.374 2.680 . 0 0 "[ . 1 . 2]" 1
979 1 74 ILE H 1 74 ILE MG . . 4.260 3.766 3.676 3.907 . 0 0 "[ . 1 . 2]" 1
980 1 74 ILE H 1 75 VAL H . . 4.450 4.454 4.380 4.498 0.048 8 0 "[ . 1 . 2]" 1
981 1 74 ILE HA 1 74 ILE MG . . 3.240 2.511 2.362 2.561 . 0 0 "[ . 1 . 2]" 1
982 1 74 ILE HA 1 75 VAL H . . 3.490 2.311 2.264 2.354 . 0 0 "[ . 1 . 2]" 1
983 1 74 ILE HB 1 74 ILE MD . . 2.570 2.466 2.239 2.541 . 0 0 "[ . 1 . 2]" 1
984 1 74 ILE MG 1 75 VAL H . . 3.440 2.521 2.294 2.701 . 0 0 "[ . 1 . 2]" 1
985 1 74 ILE MG 1 75 VAL HA . . 3.990 3.493 3.254 3.720 . 0 0 "[ . 1 . 2]" 1
986 1 74 ILE MG 1 76 THR HB . . 5.210 4.321 3.916 4.487 . 0 0 "[ . 1 . 2]" 1
987 1 75 VAL H 1 75 VAL HA . . 2.820 2.922 2.897 2.937 0.117 18 0 "[ . 1 . 2]" 1
988 1 75 VAL H 1 75 VAL HB . . 4.100 3.565 2.985 3.974 . 0 0 "[ . 1 . 2]" 1
989 1 75 VAL H 1 75 VAL MG1 . . 4.540 3.489 2.600 4.000 . 0 0 "[ . 1 . 2]" 1
990 1 75 VAL HA 1 75 VAL MG1 . . 3.550 2.322 2.196 3.046 . 0 0 "[ . 1 . 2]" 1
991 1 75 VAL HA 1 75 VAL MG2 . . 3.140 3.046 2.657 3.228 0.088 13 0 "[ . 1 . 2]" 1
992 1 75 VAL HA 1 76 THR MG . . 4.120 2.948 2.730 3.249 . 0 0 "[ . 1 . 2]" 1
993 1 76 THR HA 1 77 LYS H . . 4.490 2.476 2.349 2.579 . 0 0 "[ . 1 . 2]" 1
994 1 76 THR HB 1 77 LYS HA . . 5.210 4.768 4.529 5.256 0.046 3 0 "[ . 1 . 2]" 1
995 1 76 THR MG 1 77 LYS H . . 4.360 4.043 3.948 4.231 . 0 0 "[ . 1 . 2]" 1
996 1 77 LYS H 1 77 LYS QD . . 5.250 4.103 3.283 4.797 . 0 0 "[ . 1 . 2]" 1
997 1 77 LYS HA 1 78 ALA H . . 2.760 2.420 2.267 2.576 . 0 0 "[ . 1 . 2]" 1
998 1 77 LYS HB2 1 78 ALA H . . 4.600 3.526 3.002 4.037 . 0 0 "[ . 1 . 2]" 1
999 1 77 LYS HB3 1 78 ALA H . . 4.600 2.306 1.930 2.779 . 0 0 "[ . 1 . 2]" 1
1000 1 77 LYS HE2 1 77 LYS QG . . 3.800 2.728 2.153 3.581 . 0 0 "[ . 1 . 2]" 1
1001 1 77 LYS HE3 1 77 LYS QG . . 3.670 2.694 2.467 3.187 . 0 0 "[ . 1 . 2]" 1
1002 1 77 LYS QG 1 78 ALA H . . 4.480 3.712 3.357 3.918 . 0 0 "[ . 1 . 2]" 1
1003 1 78 ALA H 1 78 ALA HA . . 3.100 2.908 2.820 2.992 . 0 0 "[ . 1 . 2]" 1
1004 1 78 ALA H 1 78 ALA MB . . 2.720 2.305 2.198 2.626 . 0 0 "[ . 1 . 2]" 1
1005 1 79 GLN HA 1 79 GLN HG3 . . 4.340 3.325 2.466 4.262 . 0 0 "[ . 1 . 2]" 1
1006 1 79 GLN QB 1 79 GLN HE21 . . 3.870 2.797 2.409 3.453 . 0 0 "[ . 1 . 2]" 1
1007 1 79 GLN HE22 1 79 GLN HG3 . . 4.140 4.006 3.555 4.162 0.022 19 0 "[ . 1 . 2]" 1
1008 1 81 SER HA 1 81 SER HB2 . . 3.040 2.871 2.583 3.038 . 0 0 "[ . 1 . 2]" 1
1009 1 81 SER HA 1 81 SER HB3 . . 3.070 2.348 2.250 2.433 . 0 0 "[ . 1 . 2]" 1
1010 1 81 SER HA 1 83 ASP H . . 4.150 3.475 3.079 3.927 . 0 0 "[ . 1 . 2]" 1
1011 1 81 SER HA 1 84 LEU HB2 . . 3.920 3.169 2.283 3.932 0.012 6 0 "[ . 1 . 2]" 1
1012 1 81 SER HA 1 84 LEU MD1 . . 4.200 3.378 2.308 4.228 0.028 20 0 "[ . 1 . 2]" 1
1013 1 81 SER HB2 1 84 LEU HB2 . . 4.180 3.948 2.182 4.257 0.077 12 0 "[ . 1 . 2]" 1
1014 1 81 SER HB2 1 84 LEU MD1 . . 4.210 4.048 3.209 4.238 0.028 19 0 "[ . 1 . 2]" 1
1015 1 81 SER HB3 1 84 LEU HB2 . . 4.210 3.217 2.244 4.261 0.051 5 0 "[ . 1 . 2]" 1
1016 1 81 SER HB3 1 84 LEU MD1 . . 4.320 3.083 2.384 3.903 . 0 0 "[ . 1 . 2]" 1
1017 1 82 LYS HB2 1 83 ASP H . . 4.770 3.319 2.483 4.145 . 0 0 "[ . 1 . 2]" 1
1018 1 83 ASP H 1 84 LEU HA . . 3.910 5.048 3.698 5.487 1.577 20 19 [********-*****.****+] 1
1019 1 83 ASP HA 1 84 LEU H . . 4.020 2.726 2.171 3.604 . 0 0 "[ . 1 . 2]" 1
1020 1 84 LEU H 1 84 LEU HB2 . . 3.790 3.137 2.572 3.489 . 0 0 "[ . 1 . 2]" 1
1021 1 84 LEU H 1 84 LEU HB3 . . 3.700 3.199 2.702 3.751 0.051 7 0 "[ . 1 . 2]" 1
1022 1 84 LEU H 1 84 LEU MD2 . . 4.930 4.525 3.891 4.969 0.039 15 0 "[ . 1 . 2]" 1
1023 1 84 LEU H 1 84 LEU HG . . 5.210 4.382 2.995 4.949 . 0 0 "[ . 1 . 2]" 1
1024 1 84 LEU H 1 85 ASP H . . 4.820 2.114 1.793 4.133 . 0 0 "[ . 1 . 2]" 1
1025 1 84 LEU H 1 85 ASP HB2 . . 5.760 4.530 4.131 5.763 0.003 15 0 "[ . 1 . 2]" 1
1026 1 84 LEU H 1 86 LYS H . . 2.990 2.868 2.456 3.099 0.109 18 0 "[ . 1 . 2]" 1
1027 1 84 LEU HA 1 84 LEU MD1 . . 3.990 2.925 2.126 3.930 . 0 0 "[ . 1 . 2]" 1
1028 1 84 LEU HA 1 84 LEU MD2 . . 3.990 3.225 2.147 3.961 . 0 0 "[ . 1 . 2]" 1
1029 1 84 LEU HA 1 84 LEU HG . . 3.550 2.951 2.476 3.208 . 0 0 "[ . 1 . 2]" 1
1030 1 84 LEU HA 1 86 LYS H . . 4.950 4.319 3.565 4.945 . 0 0 "[ . 1 . 2]" 1
1031 1 84 LEU HB2 1 84 LEU MD1 . . 3.170 2.345 2.266 2.492 . 0 0 "[ . 1 . 2]" 1
1032 1 84 LEU HB2 1 84 LEU MD2 . . 3.170 2.788 2.355 3.248 0.078 17 0 "[ . 1 . 2]" 1
1033 1 84 LEU HB2 1 85 ASP H . . 3.990 3.567 2.570 4.097 0.107 19 0 "[ . 1 . 2]" 1
1034 1 84 LEU HB3 1 84 LEU MD1 . . 3.550 2.869 2.336 3.272 . 0 0 "[ . 1 . 2]" 1
1035 1 84 LEU HB3 1 84 LEU MD2 . . 3.550 2.352 2.280 2.460 . 0 0 "[ . 1 . 2]" 1
1036 1 84 LEU HB3 1 85 ASP H . . 3.980 2.865 2.285 3.978 . 0 0 "[ . 1 . 2]" 1
1037 1 84 LEU MD1 1 85 ASP HA . . 5.210 5.305 4.249 6.187 0.977 18 4 "[ - * 1 * . + 2]" 1
1038 1 84 LEU MD2 1 85 ASP H . . 4.870 4.285 3.436 4.828 . 0 0 "[ . 1 . 2]" 1
1039 1 85 ASP H 1 85 ASP HB2 . . 3.520 2.602 2.394 3.065 . 0 0 "[ . 1 . 2]" 1
1040 1 85 ASP H 1 85 ASP HB3 . . 4.080 2.539 2.348 3.611 . 0 0 "[ . 1 . 2]" 1
1041 1 85 ASP H 1 86 LYS H . . 5.200 2.682 1.984 3.327 . 0 0 "[ . 1 . 2]" 1
1042 1 85 ASP HA 1 85 ASP HB2 . . 3.100 2.459 2.414 2.512 . 0 0 "[ . 1 . 2]" 1
1043 1 85 ASP HA 1 86 LYS H . . 3.880 3.531 2.877 3.628 . 0 0 "[ . 1 . 2]" 1
1044 1 85 ASP HB2 1 86 LYS H . . 4.320 4.069 3.878 4.481 0.161 8 0 "[ . 1 . 2]" 1
1045 1 85 ASP HB2 1 86 LYS HA . . 5.850 5.811 5.629 5.894 0.044 9 0 "[ . 1 . 2]" 1
1046 1 86 LYS H 1 86 LYS HB2 . . 3.680 2.601 2.312 3.689 0.009 9 0 "[ . 1 . 2]" 1
1047 1 86 LYS H 1 86 LYS HB3 . . 3.890 3.681 3.508 3.983 0.093 9 0 "[ . 1 . 2]" 1
1048 1 86 LYS H 1 86 LYS HD3 . . 3.790 3.501 2.505 3.893 0.103 2 0 "[ . 1 . 2]" 1
1049 1 86 LYS H 1 86 LYS HG3 . . 4.390 4.002 3.726 4.432 0.042 17 0 "[ . 1 . 2]" 1
1050 1 86 LYS HA 1 86 LYS HD3 . . 3.170 2.314 2.168 3.210 0.040 17 0 "[ . 1 . 2]" 1
1051 1 86 LYS HA 1 86 LYS HE3 . . 5.130 4.684 4.223 4.824 . 0 0 "[ . 1 . 2]" 1
1052 1 86 LYS HA 1 86 LYS HG2 . . 3.640 3.299 3.029 3.681 0.041 4 0 "[ . 1 . 2]" 1
1053 1 86 LYS HA 1 86 LYS HG3 . . 3.550 3.496 2.428 3.693 0.143 2 0 "[ . 1 . 2]" 1
1054 1 86 LYS HA 1 87 LEU H . . 3.500 2.465 2.128 3.522 0.022 1 0 "[ . 1 . 2]" 1
1055 1 86 LYS HA 1 87 LEU QD . . 5.210 3.841 3.164 4.718 . 0 0 "[ . 1 . 2]" 1
1056 1 86 LYS HB2 1 86 LYS HE3 . . 4.650 4.537 2.997 4.792 0.142 5 0 "[ . 1 . 2]" 1
1057 1 86 LYS HB2 1 86 LYS HG3 . . 2.760 2.523 2.405 2.983 0.223 6 0 "[ . 1 . 2]" 1
1058 1 86 LYS HB3 1 86 LYS HE3 . . 4.880 4.374 4.128 4.888 0.008 17 0 "[ . 1 . 2]" 1
1059 1 86 LYS HB3 1 86 LYS HG3 . . 3.060 2.362 2.312 2.505 . 0 0 "[ . 1 . 2]" 1
1060 1 86 LYS HE3 1 86 LYS HG2 . . 3.400 2.842 2.406 3.111 . 0 0 "[ . 1 . 2]" 1
1061 1 86 LYS HE3 1 86 LYS HG3 . . 3.550 2.653 2.350 3.645 0.095 4 0 "[ . 1 . 2]" 1
1062 1 87 LEU H 1 87 LEU QB . . 3.410 2.382 2.128 3.066 . 0 0 "[ . 1 . 2]" 1
1063 1 87 LEU H 1 87 LEU QD . . 4.650 2.701 1.828 3.962 . 0 0 "[ . 1 . 2]" 1
1064 1 87 LEU HA 1 87 LEU QD . . 3.550 2.307 2.018 3.284 . 0 0 "[ . 1 . 2]" 1
1065 1 87 LEU HA 1 87 LEU HG . . 2.960 3.541 2.341 4.129 1.169 18 14 "[* * * **-** *.**+**]" 1
1066 1 87 LEU HA 1 88 VAL H . . 3.190 2.372 2.210 2.518 . 0 0 "[ . 1 . 2]" 1
1067 1 87 LEU HA 1 88 VAL QG . . 3.990 3.265 3.160 3.535 . 0 0 "[ . 1 . 2]" 1
1068 1 87 LEU QB 1 87 LEU QD . . 2.360 1.998 1.815 2.089 . 0 0 "[ . 1 . 2]" 1
1069 1 87 LEU QB 1 88 VAL H . . 4.110 2.738 2.363 3.724 . 0 0 "[ . 1 . 2]" 1
1070 1 88 VAL H 1 88 VAL HB . . 3.890 3.865 3.595 3.910 0.020 5 0 "[ . 1 . 2]" 1
1071 1 88 VAL H 1 88 VAL QG . . 3.420 2.288 1.892 2.355 . 0 0 "[ . 1 . 2]" 1
1072 1 88 VAL HA 1 89 PRO QD . . 2.780 2.078 2.021 2.224 . 0 0 "[ . 1 . 2]" 1
1073 1 88 VAL HB 1 89 PRO QD . . 3.790 2.105 2.036 2.150 . 0 0 "[ . 1 . 2]" 1
1074 1 88 VAL QG 1 89 PRO QD . . 4.150 2.922 2.905 2.938 . 0 0 "[ . 1 . 2]" 1
1075 1 88 VAL QG 1 89 PRO QG . . 2.770 4.291 4.087 4.373 1.603 4 20 [***+*-**************] 1
1076 1 88 VAL QG 1 90 ARG H . . 5.360 4.628 2.285 5.234 . 0 0 "[ . 1 . 2]" 1
1077 1 89 PRO HA 1 89 PRO QD . . 4.340 3.343 3.263 3.449 . 0 0 "[ . 1 . 2]" 1
1078 1 89 PRO QB 1 90 ARG H . . 3.930 3.003 2.610 4.032 0.102 1 0 "[ . 1 . 2]" 1
1079 1 90 ARG H 1 90 ARG HB2 . . 3.530 2.628 2.328 3.570 0.040 15 0 "[ . 1 . 2]" 1
1080 1 90 ARG H 1 90 ARG HB3 . . 3.800 3.643 2.568 3.817 0.017 11 0 "[ . 1 . 2]" 1
1081 1 90 ARG H 1 90 ARG HD3 . . 5.390 4.645 2.331 5.456 0.066 10 0 "[ . 1 . 2]" 1
1082 1 90 ARG H 1 90 ARG HG3 . . 3.580 3.235 2.533 3.743 0.163 15 0 "[ . 1 . 2]" 1
1083 1 90 ARG HA 1 90 ARG HD3 . . 4.120 4.053 3.132 4.394 0.274 19 0 "[ . 1 . 2]" 1
1084 1 90 ARG HA 1 90 ARG HG3 . . 3.540 3.040 2.413 3.658 0.118 6 0 "[ . 1 . 2]" 1
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