NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633590 |
5yxi   |
36136 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5yxi
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 963
_Distance_constraint_stats_list.Viol_count 7029
_Distance_constraint_stats_list.Viol_total 179011.891
_Distance_constraint_stats_list.Viol_max 16.617
_Distance_constraint_stats_list.Viol_rms 1.3466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4647
_Distance_constraint_stats_list.Viol_average_violations_only 1.2734
_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 3 ASP 22.787 2.166 19 17 "[***-. ************+2]"
1 4 ARG 79.396 1.904 19 20 [*****-************+*]
1 5 THR 532.254 10.625 18 20 [-****************+**]
1 6 ILE 454.584 6.175 6 20 [*****+**********-***]
1 7 GLU 347.085 5.891 11 20 [**********+****-****]
1 8 VAL 164.004 3.095 6 20 [*****+******-*******]
1 9 GLU 275.645 4.136 20 20 [******-************+]
1 10 LEU 166.470 7.662 8 20 [*******+****-*******]
1 12 ASN 0.353 0.125 17 0 "[ . 1 . 2]"
1 13 LYS 322.836 14.200 3 20 [**+****-************]
1 14 GLN 49.653 1.154 11 20 [*********-+*********]
1 15 ARG 163.980 5.891 11 20 [**********+*********]
1 16 THR 277.252 4.758 14 20 [******-******+******]
1 17 VAL 395.311 12.197 19 20 [****************-*+*]
1 18 ILE 248.143 2.694 10 20 [-********+**********]
1 19 ASN 71.827 1.179 14 20 [-************+******]
1 20 VAL 273.852 7.324 3 20 [**+***********-*****]
1 21 ARG 51.955 1.519 9 20 [***-****+***********]
1 22 PRO 42.397 1.904 19 19 "[** *-*************+*]"
1 23 GLY 18.538 0.527 11 11 "[** -* *+***. ** 2]"
1 24 LEU 753.338 7.324 3 20 [**+*********-*******]
1 25 THR 580.118 10.625 18 20 [*****************+-*]
1 26 LEU 424.158 6.983 2 20 [*+**********-*******]
1 27 LYS 329.176 8.529 17 20 [************-***+***]
1 28 GLU 348.944 12.197 19 20 [************-*****+*]
1 29 ALA 272.796 5.522 11 20 [****-*****+*********]
1 30 LEU 602.577 6.779 16 20 [********-******+****]
1 31 LYS 53.102 2.234 19 19 [********-*********+2]
1 32 LYS 523.647 14.200 3 20 [**+*****************]
1 33 ALA 224.644 3.143 10 20 [*********+**********]
1 34 LEU 428.502 7.662 8 20 [*****-*+************]
1 35 LYS 223.317 4.892 3 20 [**+**************-**]
1 36 VAL 314.967 16.617 8 20 [*******+*******-****]
1 37 ARG 96.181 2.677 7 20 [******+********-****]
1 38 GLY 43.586 1.644 19 20 [*****-************+*]
1 39 ILE 241.115 4.023 10 20 [*********+*******-**]
1 40 ASP 18.604 1.642 4 8 "[ **+* ** . -* 2]"
1 41 PRO 87.508 2.806 10 20 [*-*******+**********]
1 42 ASN 183.113 4.576 7 20 [******+*****-*******]
1 43 LYS 126.063 3.115 17 20 [*****-**********+***]
1 44 VAL 356.157 4.573 19 20 [*****-************+*]
1 45 GLN 169.635 3.115 17 20 [****-***********+***]
1 46 VAL 478.125 11.399 18 20 [******-**********+**]
1 47 TYR 184.031 4.822 10 20 [*********+***-******]
1 48 LEU 213.505 4.573 19 20 [**-***************+*]
1 49 LEU 417.748 6.021 18 20 [********-********+**]
1 50 LEU 119.799 1.897 7 20 [******+*-***********]
1 51 SER 333.177 11.399 18 20 [*****-***********+**]
1 52 GLY 2.111 0.425 18 0 "[ . 1 . 2]"
1 53 ASP 65.048 1.801 19 20 [************-*****+*]
1 54 ASP 43.591 1.801 19 20 [***********-******+*]
1 55 GLY 18.426 0.629 14 9 "[ * * * * - +. ***2]"
1 56 ALA 115.287 1.718 16 20 [**************-+****]
1 57 GLU 123.555 2.763 20 20 [*-*****************+]
1 58 GLN 90.000 1.800 12 20 [**-********+********]
1 59 PRO 37.249 1.184 11 20 [**********+**-******]
1 60 LEU 164.219 2.615 19 20 [******-***********+*]
1 61 SER 233.741 2.615 19 20 [********-*********+*]
1 62 LEU 265.153 8.737 10 20 [-********+**********]
1 63 ASN 118.080 2.186 20 20 [*****-*************+]
1 64 HIS 251.421 2.735 19 20 [***-**************+*]
1 65 PRO 479.269 8.529 17 20 [************-***+***]
1 66 ALA 266.243 2.797 13 20 [****-*******+*******]
1 67 GLU 49.286 1.566 10 20 [*********+****-*****]
1 68 ARG 70.408 1.640 9 20 [*****-**+***********]
1 69 LEU 252.671 4.277 20 20 [*****-*************+]
1 70 ILE 402.186 8.737 10 20 [-********+**********]
1 71 GLY 43.035 1.645 12 19 "[-**********+***** **]"
1 72 LYS 433.883 16.099 17 20 [****************+-**]
1 73 LYS 439.638 16.617 8 20 [*******+********-***]
1 74 LEU 239.721 2.905 1 20 [+***************-***]
1 75 LYS 255.042 7.031 17 20 [******-*********+***]
1 76 VAL 118.609 4.055 10 20 [*********+****-*****]
1 77 VAL 127.256 4.136 20 20 [**-****************+]
1 78 PRO 526.428 16.099 17 20 [************-***+***]
1 79 LEU 103.212 4.576 7 20 [******+***-*********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP HA 1 3 ASP QB 2.500 . 3.000 2.446 2.186 2.540 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP HA 1 4 ARG H 2.500 . 3.000 2.733 2.152 3.571 0.571 13 6 "[ . **- + ** 2]" 1
3 1 3 ASP HA 1 5 THR H 5.000 . 5.500 4.517 3.334 6.930 1.430 9 2 "[ . - +1 . 2]" 1
4 1 3 ASP QB 1 4 ARG H 4.000 . 4.500 3.204 2.123 4.008 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP QB 1 5 THR H 5.500 . 6.000 4.493 2.419 5.839 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP QB 1 5 THR MG . . 4.100 4.853 3.285 6.266 2.166 19 14 "[***-. **1***** **+2]" 1
7 1 4 ARG H 1 4 ARG HA 2.700 . 3.200 2.745 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG H 1 4 ARG QG 3.000 . 3.500 3.649 1.984 4.165 0.665 3 8 "[* + .* * 1 * . - **]" 1
9 1 4 ARG H 1 5 THR H 3.800 . 4.300 3.403 2.628 4.621 0.321 7 0 "[ . 1 . 2]" 1
10 1 4 ARG H 1 5 THR MG 3.200 . 3.700 3.695 2.377 4.695 0.995 7 4 "[ . +- 1 .* *2]" 1
11 1 4 ARG HA 1 4 ARG HB2 2.700 . 3.200 2.602 2.361 2.936 . 0 0 "[ . 1 . 2]" 1
12 1 4 ARG HA 1 4 ARG HB3 2.700 . 3.200 2.853 2.376 3.023 . 0 0 "[ . 1 . 2]" 1
13 1 4 ARG HA 1 4 ARG QG 2.700 . 3.200 2.535 2.131 3.431 0.231 7 0 "[ . 1 . 2]" 1
14 1 4 ARG HA 1 5 THR H 2.300 . 2.800 2.532 2.160 2.879 0.079 5 0 "[ . 1 . 2]" 1
15 1 4 ARG HA 1 70 ILE MD 3.500 . 4.000 2.847 1.949 4.285 0.285 12 0 "[ . 1 . 2]" 1
16 1 4 ARG HA 1 70 ILE MG 2.500 . 3.000 3.076 1.900 4.702 1.702 6 8 "[* *.+** 1 . -**]" 1
17 1 4 ARG HB2 1 5 THR H 3.700 . 4.200 4.392 2.988 4.651 0.451 17 0 "[ . 1 . 2]" 1
18 1 4 ARG HB2 1 70 ILE MD 5.000 . 5.500 3.890 1.937 4.725 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG HB2 1 70 ILE MG 5.000 . 5.500 4.569 2.309 6.001 0.501 6 1 "[ .+ 1 . 2]" 1
20 1 4 ARG HB3 1 4 ARG QD 3.000 . 3.500 2.327 2.009 3.036 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG QD 1 20 VAL H 7.000 . 7.500 4.789 3.640 5.762 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG QD 1 21 ARG H 4.100 . 4.600 5.285 4.301 5.876 1.276 6 13 "[** *.+*-*1*** * ** 2]" 1
23 1 4 ARG QD 1 22 PRO QG 2.800 . 3.300 4.161 3.294 5.204 1.904 19 14 "[* -****1* ***** +*]" 1
24 1 4 ARG QG 1 5 THR H 2.900 . 3.400 4.051 2.134 4.537 1.137 5 16 "[****+* * * *-***** *]" 1
25 1 4 ARG QG 1 22 PRO QD 4.200 . 4.600 3.699 2.621 4.405 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 5 THR HA 2.500 . 3.000 2.876 2.277 2.949 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 5 THR HB 2.900 . 3.400 3.886 3.794 3.953 0.553 3 10 "[* + ** ** *- * *]" 1
28 1 5 THR H 1 5 THR MG 2.500 . 3.000 3.136 2.504 3.839 0.839 19 3 "[ . -* 1 . +2]" 1
29 1 5 THR H 1 6 ILE H 4.500 . 4.500 4.398 4.325 4.473 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR H 1 6 ILE HA 4.500 . 5.000 4.781 4.629 5.536 0.536 9 1 "[ . +1 . 2]" 1
31 1 5 THR H 1 19 ASN QB 5.500 . 6.000 5.605 4.367 6.298 0.298 7 0 "[ . 1 . 2]" 1
32 1 5 THR H 1 20 VAL H 4.200 . 4.700 5.383 3.814 6.117 1.417 11 14 "[** *.*** 1+** - ****]" 1
33 1 5 THR H 1 20 VAL QG 4.200 2.800 4.700 5.665 3.874 6.210 1.510 19 16 "[*-**.*** 1*** ****+*]" 1
34 1 5 THR H 1 70 ILE H 6.800 . 7.300 7.065 6.366 7.868 0.568 6 1 "[ .+ 1 . 2]" 1
35 1 5 THR H 1 71 GLY H 4.900 . 5.000 3.945 3.206 5.346 0.346 9 0 "[ . 1 . 2]" 1
36 1 5 THR HA 1 5 THR HB 2.500 . 3.000 2.484 2.300 2.769 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR HA 1 5 THR MG 2.300 . 2.800 2.282 1.995 2.588 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR HA 1 6 ILE H 2.200 . 2.700 2.409 2.240 2.521 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR HA 1 17 VAL QG 3.200 . 3.700 4.556 4.118 5.044 1.344 12 18 "[********** +*-*** **]" 1
40 1 5 THR HA 1 18 ILE H 4.400 . 4.900 5.561 5.017 6.109 1.209 12 16 "[****.******+- . ****]" 1
41 1 5 THR HA 1 19 ASN HA 2.800 . 3.300 2.536 2.157 2.908 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 20 VAL H 2.800 . 3.300 2.961 2.169 3.580 0.280 18 0 "[ . 1 . 2]" 1
43 1 5 THR HA 1 70 ILE H 7.000 . 7.500 7.877 7.553 8.057 0.557 9 9 "[-* * +*** * * 2]" 1
44 1 5 THR HB 1 6 ILE H 2.200 . 4.000 2.449 2.124 2.888 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR HB 1 6 ILE MD 2.300 . 2.800 4.068 3.575 4.363 1.563 6 20 [*****+*************-] 1
46 1 5 THR HB 1 7 GLU H 4.500 . 5.000 5.612 4.984 6.298 1.298 9 11 "[*** ** +* * *.- *]" 1
47 1 5 THR HB 1 18 ILE H 3.700 . 4.200 4.207 3.468 4.704 0.504 19 1 "[ . 1 . +2]" 1
48 1 5 THR HB 1 19 ASN HA 6.000 . 6.500 3.051 2.076 3.951 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR HB 1 26 LEU QB 4.300 2.800 4.800 10.749 10.000 11.783 6.983 2 20 [*+********-*********] 1
50 1 5 THR MG 1 6 ILE H 2.300 . 2.800 3.611 2.837 4.048 1.248 5 17 "[****+* ********-* *]" 1
51 1 5 THR MG 1 17 VAL QG 6.500 . 7.000 3.359 2.605 3.857 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR MG 1 19 ASN HA 2.700 . 3.200 2.389 1.911 3.159 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR MG 1 19 ASN QB 5.500 2.800 6.000 2.132 1.792 2.604 1.008 20 15 "[*-* ** ****** .** *+]" 1
54 1 5 THR MG 1 20 VAL H 2.900 . 3.400 3.448 2.623 4.275 0.875 18 2 "[ . 1 - + 2]" 1
55 1 5 THR MG 1 25 THR HB 3.000 . 3.500 13.584 13.153 14.125 10.625 18 20 [*****************+-*] 1
56 1 6 ILE H 1 6 ILE HA 2.900 . 3.400 2.939 2.922 2.949 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE H 1 6 ILE HB 2.300 . 2.800 3.019 2.583 3.945 1.145 10 4 "[ * .- + . *]" 1
58 1 6 ILE H 1 6 ILE MD 3.000 . 3.500 2.259 1.856 2.841 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE H 1 7 GLU H 4.000 . 4.500 4.365 4.230 4.501 0.001 14 0 "[ . 1 . 2]" 1
60 1 6 ILE H 1 17 VAL HA 3.500 . 4.000 5.231 4.951 5.507 1.507 12 20 [********-**+********] 1
61 1 6 ILE H 1 18 ILE H 2.800 . 3.100 3.544 3.374 3.847 0.747 12 6 "[- . 1 + . ****]" 1
62 1 6 ILE H 1 18 ILE MG 2.500 . 3.000 5.507 5.195 5.659 2.659 9 20 [****-***+***********] 1
63 1 6 ILE H 1 20 VAL HB 3.800 . 4.300 5.656 5.179 5.931 1.631 5 20 [****+-**************] 1
64 1 6 ILE H 1 71 GLY H 6.400 . 6.900 5.084 4.544 6.467 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE HA 1 6 ILE HB 3.000 . 3.500 2.903 2.349 3.021 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE HA 1 6 ILE QG 3.800 . 4.300 2.622 2.304 3.433 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE HA 1 6 ILE MG 3.000 . 3.400 2.273 2.164 2.511 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE HA 1 7 GLU H 2.000 . 2.500 2.202 2.148 2.284 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE HA 1 18 ILE MD 6.000 . 6.500 5.198 4.161 6.429 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE HA 1 74 LEU H 6.200 . 6.700 5.982 5.738 6.249 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE HB 1 7 GLU H 2.900 . 3.400 3.729 2.708 4.091 0.691 7 13 "[** *. +* 1***-* ***2]" 1
72 1 6 ILE HB 1 18 ILE H 2.600 . 3.100 4.504 3.630 5.794 2.694 10 20 [*********+-*********] 1
73 1 6 ILE HB 1 70 ILE HA 5.000 . 5.500 5.185 4.562 6.398 0.898 11 1 "[ . 1+ . 2]" 1
74 1 6 ILE MD 1 6 ILE MG 3.100 . 3.600 2.931 1.843 3.202 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE MD 1 18 ILE MG 2.500 . 3.000 5.194 3.930 5.567 2.567 5 20 [****+-**************] 1
76 1 6 ILE MD 1 25 THR HB 2.400 . 2.900 8.784 8.467 9.075 6.175 6 20 [*****+****-*********] 1
77 1 6 ILE MD 1 66 ALA MB 4.300 . 4.800 1.941 1.777 3.238 0.023 14 0 "[ . 1 . 2]" 1
78 1 6 ILE QG 1 7 GLU H 3.800 . 4.300 4.148 3.389 4.407 0.107 6 0 "[ . 1 . 2]" 1
79 1 6 ILE QG 1 72 LYS H 3.100 . 3.600 4.388 3.225 6.111 2.511 10 9 "[ * .* *+* * . -* *]" 1
80 1 6 ILE MG 1 7 GLU H 2.300 . 2.800 2.648 1.915 3.989 1.189 10 4 "[ * .- + . *]" 1
81 1 6 ILE MG 1 7 GLU QB 6.500 . 7.000 4.249 3.651 5.430 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MG 1 17 VAL QG 2.900 . 3.400 4.653 4.142 4.904 1.504 3 20 [**+*-***************] 1
83 1 6 ILE MG 1 18 ILE MD 2.300 . 2.800 3.718 2.729 5.189 2.389 6 16 "[* ***+* -* * *******]" 1
84 1 6 ILE MG 1 70 ILE HA 4.700 . 5.200 3.615 2.092 4.541 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MG 1 70 ILE MD . . 4.200 4.975 2.205 6.835 2.635 12 11 "[ *-* ** * + *.** *2]" 1
86 1 6 ILE MG 1 70 ILE MG 5.000 . 5.500 5.058 3.508 5.967 0.467 1 0 "[ . 1 . 2]" 1
87 1 6 ILE MG 1 74 LEU HG 3.000 . 3.500 3.811 2.605 5.456 1.956 3 6 "[ + .* ** .- *]" 1
88 1 7 GLU H 1 7 GLU HA 3.000 . 3.500 2.933 2.915 2.948 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU H 1 7 GLU QB 2.200 . 2.700 2.350 2.258 2.477 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU H 1 7 GLU QG 3.500 . 4.000 3.987 3.919 4.093 0.093 16 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 8 VAL H 4.500 . 4.500 4.497 4.409 4.537 0.037 1 0 "[ . 1 . 2]" 1
92 1 7 GLU H 1 15 ARG H 5.500 2.800 6.000 11.690 11.400 11.891 5.891 11 20 [********-*+*********] 1
93 1 7 GLU H 1 17 VAL H 3.800 . 4.300 7.707 7.491 7.765 3.465 14 20 [****-********+******] 1
94 1 7 GLU H 1 17 VAL HA 5.500 . 6.000 4.924 4.806 5.006 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLU H 1 72 LYS H 4.500 . 5.000 5.101 4.775 5.659 0.659 10 1 "[ . + . 2]" 1
96 1 7 GLU H 1 73 LYS HA 2.900 . 3.400 3.322 2.928 3.840 0.440 9 0 "[ . 1 . 2]" 1
97 1 7 GLU H 1 74 LEU H 4.500 . 4.900 4.251 3.907 4.440 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU H 1 74 LEU HG 4.000 . 4.500 5.537 4.305 6.133 1.633 14 15 "[* *** ** *** +.***-*]" 1
99 1 7 GLU HA 1 7 GLU QG 4.300 2.800 4.800 2.382 2.107 2.583 0.693 4 8 "[* +* 1* *.-** 2]" 1
100 1 7 GLU HA 1 8 VAL H 2.200 . 2.700 2.187 2.152 2.196 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU HA 1 8 VAL QG 6.000 . 6.500 3.351 3.188 3.696 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU HA 1 17 VAL HA 2.900 . 3.200 2.167 1.976 2.435 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLU HA 1 17 VAL QG 3.200 . 3.700 2.414 2.039 2.728 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLU HA 1 18 ILE HA 5.000 . 5.500 5.970 5.573 6.421 0.921 11 12 "[- ** **1+ **** * *]" 1
105 1 7 GLU QB 1 8 VAL H 2.500 . 3.000 3.609 3.544 3.658 0.658 9 20 [***-****+***********] 1
106 1 7 GLU QB 1 8 VAL QG 6.500 . 7.000 4.344 4.069 4.791 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLU QB 1 17 VAL QG . . 4.500 2.652 2.115 3.412 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLU QB 1 73 LYS HA . . 4.100 3.105 2.461 3.606 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLU QB 1 73 LYS HB3 5.500 . 6.000 4.369 2.881 5.896 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLU QB 1 74 LEU H 3.600 . 4.100 3.957 3.313 4.419 0.319 12 0 "[ . 1 . 2]" 1
111 1 7 GLU QG 1 9 GLU HA 3.500 . 4.000 4.550 4.291 5.168 1.168 11 8 "[- ** 1+ *.*** 2]" 1
112 1 7 GLU QG 1 9 GLU QB 2.200 . 2.700 5.243 5.099 5.469 2.769 5 20 [****+***-***********] 1
113 1 7 GLU QG 1 16 THR HB 4.100 . 4.600 5.605 5.270 6.216 1.616 11 20 [**********+*****-***] 1
114 1 7 GLU QG 1 17 VAL QG 3.800 . 4.300 2.713 1.866 3.704 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLU QG 1 73 LYS HA 4.500 . 5.000 4.517 4.091 5.142 0.142 17 0 "[ . 1 . 2]" 1
116 1 8 VAL H 1 8 VAL HB 2.300 . 2.800 3.541 2.760 3.865 1.065 5 13 "[*** +*** ** *-.** 2]" 1
117 1 8 VAL H 1 8 VAL QG 2.300 . 2.800 2.164 1.958 2.813 0.013 20 0 "[ . 1 . 2]" 1
118 1 8 VAL H 1 9 GLU QG 3.600 . 4.100 5.016 4.537 5.702 1.602 17 19 "[ ***************+**-]" 1
119 1 8 VAL H 1 15 ARG HA 6.800 . 7.300 5.351 5.115 5.504 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL H 1 16 THR MG 2.800 . 3.300 5.057 4.682 5.416 2.116 6 20 [*****+**-***********] 1
121 1 8 VAL H 1 75 LYS QD 4.500 . 5.000 7.637 6.287 8.095 3.095 6 20 [*****+*********-****] 1
122 1 8 VAL HA 1 8 VAL QG 2.500 . 3.000 2.207 2.108 2.323 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL HA 1 9 GLU H 2.200 . 2.700 2.170 2.142 2.218 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL HA 1 74 LEU H 2.600 . 3.100 2.901 2.605 3.309 0.209 18 0 "[ . 1 . 2]" 1
125 1 8 VAL HA 1 74 LEU QB 4.100 . 4.600 3.210 2.668 4.083 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL HB 1 9 GLU H 3.600 . 4.100 3.512 2.923 4.217 0.117 18 0 "[ . 1 . 2]" 1
127 1 8 VAL QG 1 9 GLU H 2.200 . 2.700 3.109 2.245 3.573 0.873 11 13 "[*** **** *+ **.-* 2]" 1
128 1 8 VAL QG 1 10 LEU HA 3.200 . 3.700 4.233 3.563 5.086 1.386 11 12 "[*** .*** *+ -*.** 2]" 1
129 1 8 VAL QG 1 15 ARG HA 5.500 . 6.000 4.561 4.031 5.083 . 0 0 "[ . 1 . 2]" 1
130 1 8 VAL QG 1 16 THR HB 4.700 . 5.200 3.139 2.583 4.631 . 0 0 "[ . 1 . 2]" 1
131 1 8 VAL QG 1 16 THR MG 4.000 . 4.500 3.927 3.362 4.880 0.380 20 0 "[ . 1 . 2]" 1
132 1 8 VAL QG 1 18 ILE MG 2.300 . 2.800 3.120 2.530 4.419 1.619 9 6 "[ .* +1 - ** *]" 1
133 1 8 VAL QG 1 74 LEU HA 4.600 . 5.100 4.578 4.122 5.346 0.246 18 0 "[ . 1 . 2]" 1
134 1 9 GLU H 1 10 LEU H 2.900 . 3.400 4.365 4.345 4.485 1.085 11 20 [*********-+*********] 1
135 1 9 GLU H 1 75 LYS HA 2.300 . 2.800 2.276 1.962 2.580 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLU H 1 75 LYS QD 3.200 . 3.700 4.155 3.132 4.907 1.207 6 7 "[ *.+ 1* -** * 2]" 1
137 1 9 GLU H 1 75 LYS QG 7.000 . 7.500 3.543 2.806 4.938 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLU H 1 77 VAL H 3.500 . 4.000 7.718 7.382 8.136 4.136 20 20 [***************-***+] 1
139 1 9 GLU HA 1 9 GLU QG 3.500 . 4.000 2.466 2.156 2.631 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLU HA 1 10 LEU H 2.400 . 2.900 2.146 2.141 2.148 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLU HA 1 14 GLN H 6.800 . 7.300 5.640 5.553 5.888 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLU HA 1 15 ARG HA 2.900 . 3.200 2.176 1.977 2.383 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLU HA 1 15 ARG QB 6.600 . 7.100 2.781 2.529 3.323 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLU HA 1 15 ARG QG 4.600 . 5.100 4.584 2.766 4.995 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLU QB 1 10 LEU H 2.900 . 3.400 3.498 3.272 3.678 0.278 17 0 "[ . 1 . 2]" 1
146 1 9 GLU QB 1 14 GLN HA 4.800 . 5.300 6.201 5.981 6.454 1.154 11 20 [**********+******-**] 1
147 1 9 GLU QB 1 16 THR H 4.300 . 4.800 5.109 4.912 5.400 0.600 9 2 "[ . - +1 . 2]" 1
148 1 9 GLU QB 1 75 LYS H 6.200 . 6.700 5.106 4.652 5.485 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU QB 1 75 LYS HA 3.800 . 4.300 2.579 2.114 2.930 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLU QG 1 10 LEU H 2.800 . 3.300 4.213 3.306 4.542 1.242 12 15 "[*** .***** +* *- ***]" 1
151 1 9 GLU QG 1 13 LYS HA 4.300 . 4.800 6.611 4.858 7.356 2.556 10 15 "[*** .****+ ** *- ***]" 1
152 1 9 GLU QG 1 15 ARG QD 4.200 2.800 4.700 3.967 2.952 5.187 0.487 12 0 "[ . 1 . 2]" 1
153 1 9 GLU QG 1 75 LYS HA 5.500 . 6.000 3.463 2.608 4.956 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU H 1 10 LEU HA 2.800 . 3.300 2.890 2.868 2.924 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU H 1 10 LEU QB 1.800 . 2.300 2.187 2.080 2.916 0.616 11 2 "[ . 1+ . -]" 1
156 1 10 LEU H 1 14 GLN H 4.300 . 4.800 4.496 4.361 4.549 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU H 1 15 ARG HA 2.800 . 3.300 2.072 1.947 2.242 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 16 THR HB 6.800 . 7.300 4.896 4.426 5.415 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU H 1 34 LEU QD 2.500 . 3.000 8.443 7.122 10.662 7.662 8 20 [*******+*********-**] 1
160 1 10 LEU HA 1 76 VAL HB 4.200 . 4.700 3.279 2.184 4.891 0.191 1 0 "[ . 1 . 2]" 1
161 1 10 LEU QB 1 14 GLN H 3.300 . 3.800 4.055 3.932 4.250 0.450 11 0 "[ . 1 . 2]" 1
162 1 12 ASN HA 1 12 ASN QB 2.400 . 2.900 2.442 2.272 2.495 . 0 0 "[ . 1 . 2]" 1
163 1 12 ASN HA 1 13 LYS H 2.400 . 2.900 2.917 2.893 3.025 0.125 17 0 "[ . 1 . 2]" 1
164 1 12 ASN QB 1 13 LYS H 3.700 . 4.200 3.795 3.700 3.827 . 0 0 "[ . 1 . 2]" 1
165 1 12 ASN QB 1 14 GLN HG2 6.000 . 6.500 3.153 1.983 3.504 . 0 0 "[ . 1 . 2]" 1
166 1 12 ASN QB 1 14 GLN HG3 6.200 . 6.700 4.420 3.468 4.728 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS H 1 13 LYS HA 2.000 . 2.500 2.276 2.274 2.277 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS H 1 13 LYS QG 2.600 . 3.100 3.586 2.680 4.255 1.155 1 12 "[+* *.*-* * * **** 2]" 1
169 1 13 LYS H 1 14 GLN H 2.500 . 2.900 2.742 2.613 2.774 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS H 1 14 GLN QE 7.000 . 11.000 6.210 5.007 6.860 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS H 1 14 GLN HG2 5.000 . 5.500 4.588 4.063 5.154 . 0 0 "[ . 1 . 2]" 1
172 1 13 LYS HA 1 13 LYS QG 3.600 . 4.100 2.639 2.298 3.089 . 0 0 "[ . 1 . 2]" 1
173 1 13 LYS HA 1 14 GLN H 2.800 . 3.300 2.815 2.801 2.873 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS QE 1 14 GLN H 5.000 . 5.500 4.732 4.231 5.034 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS QE 1 32 LYS QB 4.600 . 5.100 18.142 16.951 19.300 14.200 3 20 [**+******-**********] 1
176 1 13 LYS QG 1 14 GLN QB 4.200 . 4.700 5.336 5.065 5.571 0.871 9 13 "[ * * *-+1****. ****]" 1
177 1 14 GLN H 1 14 GLN HA 2.700 . 3.200 2.946 2.944 2.947 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLN H 1 14 GLN QB 2.600 . 2.900 2.847 2.790 3.099 0.199 17 0 "[ . 1 . 2]" 1
179 1 14 GLN H 1 14 GLN QE 4.300 . 4.800 4.576 3.877 5.066 0.266 4 0 "[ . 1 . 2]" 1
180 1 14 GLN H 1 14 GLN HG3 2.800 . 3.300 3.343 2.288 3.756 0.456 19 0 "[ . 1 . 2]" 1
181 1 14 GLN H 1 15 ARG H 3.800 . 4.300 4.447 4.360 4.479 0.179 9 0 "[ . 1 . 2]" 1
182 1 14 GLN HA 1 14 GLN HG2 3.800 . 4.300 3.814 3.643 4.161 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLN HA 1 14 GLN HG3 4.000 . 4.500 3.682 3.548 3.845 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLN HA 1 15 ARG H 2.200 . 2.700 2.270 2.164 2.341 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLN QB 1 15 ARG H 2.300 . 2.800 2.814 2.543 3.134 0.334 20 0 "[ . 1 . 2]" 1
186 1 14 GLN HG3 1 15 ARG H 3.300 . 3.800 3.759 3.300 4.346 0.546 10 1 "[ . + . 2]" 1
187 1 15 ARG H 1 15 ARG HA 2.600 . 3.100 2.938 2.932 2.948 . 0 0 "[ . 1 . 2]" 1
188 1 15 ARG H 1 15 ARG QB 2.100 . 2.600 2.990 2.532 3.095 0.495 1 0 "[ . 1 . 2]" 1
189 1 15 ARG H 1 15 ARG QD 4.500 . 5.000 3.966 3.398 4.488 . 0 0 "[ . 1 . 2]" 1
190 1 15 ARG H 1 15 ARG QG 2.400 . 2.900 2.237 1.993 2.689 . 0 0 "[ . 1 . 2]" 1
191 1 15 ARG H 1 16 THR H 2.900 . 3.400 4.420 4.337 4.514 1.114 19 20 [****-*************+*] 1
192 1 15 ARG HA 1 15 ARG QG 3.700 . 4.200 3.297 2.414 3.364 . 0 0 "[ . 1 . 2]" 1
193 1 15 ARG HA 1 16 THR H 2.200 . 2.700 2.246 2.194 2.344 . 0 0 "[ . 1 . 2]" 1
194 1 15 ARG HA 1 16 THR HA 6.800 . 7.300 4.451 4.433 4.480 . 0 0 "[ . 1 . 2]" 1
195 1 15 ARG QB 1 16 THR H 2.300 . 2.800 2.805 2.543 2.998 0.198 5 0 "[ . 1 . 2]" 1
196 1 15 ARG QD 1 16 THR H 6.400 . 6.900 4.860 3.690 5.475 . 0 0 "[ . 1 . 2]" 1
197 1 15 ARG QG 1 16 THR H 2.700 . 3.200 3.885 3.660 4.184 0.984 10 19 "[******** +-*********]" 1
198 1 15 ARG QG 1 16 THR HA 6.000 . 6.500 3.990 3.705 5.808 . 0 0 "[ . 1 . 2]" 1
199 1 16 THR H 1 16 THR HA 2.400 . 2.900 2.921 2.919 2.922 0.022 13 0 "[ . 1 . 2]" 1
200 1 16 THR H 1 16 THR HB 3.500 . 4.000 2.981 2.866 3.167 . 0 0 "[ . 1 . 2]" 1
201 1 16 THR H 1 16 THR MG 2.300 . 2.800 3.981 3.938 4.005 1.205 11 20 [**********+********-] 1
202 1 16 THR H 1 17 VAL H 4.500 . 5.000 4.312 4.193 4.375 . 0 0 "[ . 1 . 2]" 1
203 1 16 THR H 1 17 VAL HA 4.100 . 4.600 4.685 4.632 4.720 0.120 11 0 "[ . 1 . 2]" 1
204 1 16 THR H 1 30 LEU QD 2.300 . 2.800 6.771 5.850 7.558 4.758 14 20 [*****-*******+******] 1
205 1 16 THR HA 1 16 THR HB 2.300 . 2.800 3.012 2.972 3.025 0.225 17 0 "[ . 1 . 2]" 1
206 1 16 THR HA 1 16 THR MG 3.300 . 3.800 2.198 2.007 2.369 . 0 0 "[ . 1 . 2]" 1
207 1 16 THR HA 1 17 VAL H 2.100 . 2.600 2.212 2.152 2.273 . 0 0 "[ . 1 . 2]" 1
208 1 16 THR HA 1 30 LEU QD 5.500 . 6.000 7.785 6.895 8.723 2.723 14 20 [*************+*****-] 1
209 1 16 THR HB 1 17 VAL H 3.500 . 4.000 3.854 3.612 4.183 0.183 9 0 "[ . 1 . 2]" 1
210 1 16 THR HB 1 33 ALA MB 3.200 . 3.700 4.873 3.564 5.506 1.806 19 18 "[* *** ***-********+*]" 1
211 1 16 THR MG 1 17 VAL H 2.000 . 2.500 2.287 2.010 2.696 0.196 19 0 "[ . 1 . 2]" 1
212 1 16 THR MG 1 33 ALA MB 3.200 . 3.700 4.184 3.297 4.775 1.075 4 13 "[* -+* * ** ******2]" 1
213 1 17 VAL H 1 17 VAL HA 2.500 . 3.000 2.939 2.924 2.950 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL H 1 17 VAL HB 2.200 . 2.700 2.783 2.546 2.995 0.295 11 0 "[ . 1 . 2]" 1
215 1 17 VAL H 1 18 ILE H 4.000 . 4.500 4.499 4.373 4.554 0.054 14 0 "[ . 1 . 2]" 1
216 1 17 VAL H 1 18 ILE MD 4.500 . 5.000 5.477 4.307 6.427 1.427 18 10 "[* *. * -* * *. *+*2]" 1
217 1 17 VAL H 1 18 ILE QG 5.500 . 6.000 5.876 4.834 6.785 0.785 5 1 "[ + 1 . 2]" 1
218 1 17 VAL H 1 19 ASN H 6.400 . 6.900 7.344 7.153 7.550 0.650 4 7 "[ +. * ** .*- *2]" 1
219 1 17 VAL HA 1 17 VAL QG 2.500 . 3.000 2.186 2.049 2.301 . 0 0 "[ . 1 . 2]" 1
220 1 17 VAL HA 1 18 ILE H 2.100 . 2.600 2.215 2.143 2.303 . 0 0 "[ . 1 . 2]" 1
221 1 17 VAL HA 1 18 ILE HA 5.000 . 5.500 4.422 4.392 4.452 . 0 0 "[ . 1 . 2]" 1
222 1 17 VAL HA 1 74 LEU QD 6.400 . 6.900 6.515 5.938 7.336 0.436 7 0 "[ . 1 . 2]" 1
223 1 17 VAL HB 1 28 GLU QB 3.300 . 3.800 15.262 14.373 15.997 12.197 19 20 [*-****************+*] 1
224 1 18 ILE H 1 18 ILE HB 2.500 . 3.000 3.802 3.624 3.900 0.900 6 20 [*****+**-***********] 1
225 1 18 ILE H 1 18 ILE MD 2.800 . 3.300 2.844 1.837 3.947 0.647 10 5 "[ *. - + *. * 2]" 1
226 1 18 ILE H 1 18 ILE QG 2.500 . 3.000 2.366 1.909 3.341 0.341 5 0 "[ . 1 . 2]" 1
227 1 18 ILE H 1 18 ILE MG 2.200 . 2.700 3.047 2.740 3.350 0.650 9 2 "[ . +- . 2]" 1
228 1 18 ILE HA 1 18 ILE HB 2.900 . 3.400 2.497 2.329 2.652 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 18 ILE MD 4.100 . 4.600 3.822 3.492 4.169 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE HA 1 18 ILE MG 2.800 . 3.300 2.301 2.130 2.477 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE HA 1 19 ASN H 2.100 . 2.600 2.318 2.206 2.490 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE HB 1 19 ASN H 2.500 . 3.000 2.612 2.194 2.955 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE MD 1 19 ASN H 3.700 . 4.200 4.628 3.672 4.926 0.726 14 10 "[ ** .* * 1-**+* *]" 1
234 1 18 ILE QG 1 18 ILE MG 2.500 . 3.000 2.382 2.105 2.471 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE QG 1 19 ASN H 3.900 . 4.300 3.815 3.274 4.301 0.001 9 0 "[ . 1 . 2]" 1
236 1 18 ILE QG 1 30 LEU QD 6.000 . 6.500 3.735 2.080 4.777 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE MG 1 19 ASN H 2.500 . 3.000 3.615 3.073 4.027 1.027 5 17 "[-** +*** ********* *]" 1
238 1 18 ILE MG 1 33 ALA HA 6.000 . 6.500 4.367 3.397 5.172 . 0 0 "[ . 1 . 2]" 1
239 1 19 ASN H 1 19 ASN HA 2.800 . 3.300 2.940 2.906 2.948 . 0 0 "[ . 1 . 2]" 1
240 1 19 ASN H 1 19 ASN QB 2.100 . 2.600 2.826 2.403 3.089 0.489 9 0 "[ . 1 . 2]" 1
241 1 19 ASN H 1 20 VAL H 2.900 . 3.400 4.448 4.320 4.579 1.179 14 20 [*-***********+******] 1
242 1 19 ASN HA 1 19 ASN QB 2.600 . 3.100 2.205 2.175 2.279 . 0 0 "[ . 1 . 2]" 1
243 1 19 ASN HA 1 20 VAL H 2.100 . 2.600 2.199 2.142 2.239 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASN QB 1 20 VAL H 2.500 . 3.000 3.036 2.831 3.534 0.534 1 1 "[+ . 1 . 2]" 1
245 1 20 VAL H 1 20 VAL HA 2.300 . 2.800 2.922 2.870 2.949 0.149 15 0 "[ . 1 . 2]" 1
246 1 20 VAL H 1 20 VAL HB 2.200 . 2.700 3.196 2.753 3.903 1.203 5 9 "[* + ***- *. ** 2]" 1
247 1 20 VAL H 1 20 VAL QG 2.200 . 2.700 2.460 2.122 2.797 0.097 7 0 "[ . 1 . 2]" 1
248 1 20 VAL H 1 21 ARG H 3.800 . 4.300 4.367 4.142 4.471 0.171 15 0 "[ . 1 . 2]" 1
249 1 20 VAL H 1 24 LEU HA 3.100 . 3.600 10.616 9.397 10.924 7.324 3 20 [**+****************-] 1
250 1 20 VAL HA 1 20 VAL QG 2.700 . 3.200 2.153 2.046 2.345 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL HA 1 21 ARG H 2.100 . 2.600 2.306 2.143 2.694 0.094 14 0 "[ . 1 . 2]" 1
252 1 20 VAL HA 1 24 LEU QD 5.000 . 5.500 3.969 2.442 5.316 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL HB 1 66 ALA MB 4.700 . 5.200 2.926 1.942 3.931 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL QG 1 21 ARG H 2.400 . 2.900 2.222 1.907 3.019 0.119 10 0 "[ . 1 . 2]" 1
255 1 20 VAL QG 1 24 LEU QD 2.000 . 2.500 2.521 1.791 4.072 1.572 10 6 "[ -** *+ . * 2]" 1
256 1 20 VAL QG 1 66 ALA MB 2.500 . 3.000 1.873 1.748 2.162 0.052 5 0 "[ . 1 . 2]" 1
257 1 20 VAL QG 1 67 GLU H 3.500 . 4.000 3.546 3.032 3.917 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL QG 1 67 GLU HA 3.200 . 3.700 4.406 2.890 5.201 1.501 4 14 "[* *+.****1** **-**2]" 1
259 1 20 VAL QG 1 70 ILE MG 4.700 . 5.200 5.081 2.027 6.135 0.935 3 7 "[ + .* - 1* * **2]" 1
260 1 21 ARG H 1 21 ARG HA 2.600 . 3.100 2.915 2.827 2.946 . 0 0 "[ . 1 . 2]" 1
261 1 21 ARG H 1 21 ARG QB . . 2.700 2.515 2.158 2.992 0.292 6 0 "[ . 1 . 2]" 1
262 1 21 ARG H 1 22 PRO HA 5.500 . 6.000 5.450 4.910 5.773 . 0 0 "[ . 1 . 2]" 1
263 1 21 ARG H 1 22 PRO QD 4.400 . 4.900 4.362 4.274 4.377 . 0 0 "[ . 1 . 2]" 1
264 1 21 ARG H 1 24 LEU QD 2.400 . 2.900 3.202 1.859 4.419 1.519 9 5 "[ .** +- . * 2]" 1
265 1 21 ARG H 1 29 ALA MB 4.100 . 4.600 4.663 3.916 5.152 0.552 20 1 "[ . 1 . +]" 1
266 1 21 ARG H 1 66 ALA MB 4.500 . 5.000 5.037 4.084 6.110 1.110 20 4 "[ * . -1 * . +]" 1
267 1 21 ARG HA 1 22 PRO QD 2.600 . 3.100 2.126 2.062 2.158 . 0 0 "[ . 1 . 2]" 1
268 1 21 ARG HA 1 22 PRO QG 6.400 . 6.900 4.041 3.971 4.076 . 0 0 "[ . 1 . 2]" 1
269 1 21 ARG HA 1 23 GLY H 4.500 . 5.000 5.438 5.096 5.527 0.527 11 11 "[** -* *+***. ** 2]" 1
270 1 21 ARG HA 1 24 LEU H 5.000 . 5.500 5.893 5.396 6.304 0.804 12 9 "[* -*. 1*+ ** **2]" 1
271 1 22 PRO HA 1 22 PRO HB2 2.600 . 3.100 2.715 2.714 2.715 . 0 0 "[ . 1 . 2]" 1
272 1 22 PRO HA 1 23 GLY H 2.200 . 2.700 2.250 2.222 2.374 . 0 0 "[ . 1 . 2]" 1
273 1 22 PRO HB2 1 23 GLY H 3.400 . 3.900 4.056 4.006 4.224 0.324 8 0 "[ . 1 . 2]" 1
274 1 22 PRO HB3 1 23 GLY H 3.600 . 4.100 4.384 4.343 4.523 0.423 8 0 "[ . 1 . 2]" 1
275 1 22 PRO QG 1 23 GLY H 4.500 . 5.000 4.748 4.691 4.757 . 0 0 "[ . 1 . 2]" 1
276 1 22 PRO QG 1 67 GLU QB 2.800 . 3.300 4.119 3.636 4.777 1.477 14 16 "[** **** *****+- ** *]" 1
277 1 23 GLY H 1 23 GLY HA2 2.400 . 2.900 2.733 2.599 2.839 . 0 0 "[ . 1 . 2]" 1
278 1 23 GLY H 1 24 LEU H 3.000 . 3.500 2.395 1.945 2.650 . 0 0 "[ . 1 . 2]" 1
279 1 23 GLY H 1 66 ALA MB 7.000 . 7.500 5.452 5.113 5.910 . 0 0 "[ . 1 . 2]" 1
280 1 23 GLY HA2 1 24 LEU H 3.000 . 3.500 3.539 3.418 3.570 0.070 16 0 "[ . 1 . 2]" 1
281 1 23 GLY HA3 1 24 LEU H 2.600 . 3.100 2.745 2.577 3.102 0.002 13 0 "[ . 1 . 2]" 1
282 1 24 LEU H 1 24 LEU HA 2.700 . 3.200 2.903 2.896 2.904 . 0 0 "[ . 1 . 2]" 1
283 1 24 LEU H 1 24 LEU QB 2.200 . 2.700 2.493 2.108 2.782 0.082 11 0 "[ . 1 . 2]" 1
284 1 24 LEU H 1 24 LEU QD 2.400 . 2.900 2.529 1.943 3.563 0.663 20 2 "[ - . 1 . +]" 1
285 1 24 LEU H 1 25 THR H 2.500 . 3.000 4.588 4.581 4.599 1.599 20 20 [**-****************+] 1
286 1 24 LEU H 1 28 GLU H 4.400 . 4.900 7.442 7.246 7.510 2.610 6 20 [-****+**************] 1
287 1 24 LEU H 1 28 GLU QB 4.500 . 4.900 5.433 5.075 5.562 0.662 19 15 "[ ********1 *- ****+2]" 1
288 1 24 LEU H 1 29 ALA MB 3.900 . 4.400 5.548 5.136 5.895 1.495 10 20 [********-+**********] 1
289 1 24 LEU H 1 66 ALA MB 3.700 . 4.200 5.771 5.729 5.813 1.613 5 20 [****+***-***********] 1
290 1 24 LEU HA 1 24 LEU QD 2.600 . 3.000 3.030 2.126 3.461 0.461 8 0 "[ . 1 . 2]" 1
291 1 24 LEU HA 1 25 THR H 2.100 . 2.600 2.347 2.251 2.407 . 0 0 "[ . 1 . 2]" 1
292 1 24 LEU HA 1 28 GLU H 4.400 . 4.900 5.829 5.551 5.992 1.092 12 20 [*********-*+********] 1
293 1 24 LEU HA 1 29 ALA H 5.500 . 6.000 6.434 6.164 6.593 0.593 19 11 "[* **- * 1** ** *+2]" 1
294 1 24 LEU HA 1 30 LEU QD 2.900 . 3.400 9.493 8.277 10.179 6.779 16 20 [************-**+****] 1
295 1 24 LEU HA 1 65 PRO QD 3.700 . 4.200 6.582 6.482 6.732 2.532 17 20 [*****-**********+***] 1
296 1 24 LEU QB 1 24 LEU QD 2.300 . 2.800 1.844 1.787 1.929 0.013 14 0 "[ . 1 . 2]" 1
297 1 24 LEU QB 1 25 THR H 3.600 . 4.100 2.575 2.370 3.003 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU QB 1 28 GLU HA 4.400 . 4.900 5.042 4.660 5.207 0.307 17 0 "[ . 1 . 2]" 1
299 1 24 LEU QB 1 28 GLU HG3 6.400 . 6.900 4.335 3.310 5.285 . 0 0 "[ . 1 . 2]" 1
300 1 24 LEU QB 1 30 LEU QB 2.800 . 3.300 7.635 7.189 8.000 4.700 5 20 [****+***-***********] 1
301 1 24 LEU QD 1 25 THR H 2.800 . 3.300 3.437 2.305 3.748 0.448 17 0 "[ . 1 . 2]" 1
302 1 24 LEU QD 1 28 GLU H 4.000 . 4.500 3.900 3.360 4.501 0.001 10 0 "[ . 1 . 2]" 1
303 1 24 LEU QD 1 28 GLU HA 4.700 . 5.200 4.036 3.788 4.248 . 0 0 "[ . 1 . 2]" 1
304 1 24 LEU QD 1 28 GLU QB 4.300 . 4.800 1.992 1.803 2.278 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU QD 1 28 GLU HG3 4.500 . 5.000 3.956 2.084 4.628 . 0 0 "[ . 1 . 2]" 1
306 1 24 LEU QD 1 29 ALA H 3.000 . 3.500 3.246 2.537 4.096 0.596 9 8 "[ * .** +- * . * *]" 1
307 1 24 LEU QD 1 29 ALA HA . . 4.100 3.049 2.437 3.837 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU QD 1 30 LEU QB 4.300 . 4.800 6.161 5.539 6.925 2.125 13 20 [**-*********+*******] 1
309 1 24 LEU QD 1 46 VAL QG 2.000 . 2.500 8.075 6.953 9.037 6.537 9 20 [********+****-******] 1
310 1 25 THR H 1 25 THR HB 2.900 . 3.400 3.605 3.510 3.654 0.254 19 0 "[ . 1 . 2]" 1
311 1 25 THR H 1 25 THR MG 2.100 . 2.600 2.626 2.131 3.003 0.403 14 0 "[ . 1 . 2]" 1
312 1 25 THR H 1 27 LYS H 4.400 . 4.900 4.889 4.821 4.958 0.058 13 0 "[ . 1 . 2]" 1
313 1 25 THR H 1 28 GLU H 3.800 . 4.300 3.769 3.619 3.897 . 0 0 "[ . 1 . 2]" 1
314 1 25 THR H 1 28 GLU HA 5.500 2.800 6.000 5.700 5.336 6.033 0.033 18 0 "[ . 1 . 2]" 1
315 1 25 THR H 1 28 GLU QB 2.500 . 3.000 2.793 2.449 3.147 0.147 18 0 "[ . 1 . 2]" 1
316 1 25 THR H 1 63 ASN HA 3.600 . 4.100 5.790 5.403 6.286 2.186 20 20 [-******************+] 1
317 1 25 THR H 1 65 PRO QD 4.400 . 4.900 5.943 5.896 6.001 1.101 11 20 [**********+********-] 1
318 1 25 THR H 1 66 ALA MB 5.500 . 6.000 6.351 6.243 6.443 0.443 4 0 "[ . 1 . 2]" 1
319 1 25 THR HA 1 27 LYS H 2.900 . 3.400 4.238 4.197 4.298 0.898 14 20 [*************+****-*] 1
320 1 25 THR HA 1 63 ASN HA 2.600 . 3.100 4.835 4.620 4.938 1.838 14 20 [*********-***+******] 1
321 1 25 THR HB 1 26 LEU H 2.200 . 2.700 2.351 2.324 2.410 . 0 0 "[ . 1 . 2]" 1
322 1 25 THR HB 1 26 LEU QB 4.300 . 4.800 3.995 3.784 4.186 . 0 0 "[ . 1 . 2]" 1
323 1 25 THR HB 1 63 ASN HA 4.200 . 4.700 2.752 2.419 3.573 . 0 0 "[ . 1 . 2]" 1
324 1 25 THR HB 1 66 ALA H 2.400 . 2.900 5.519 5.377 5.697 2.797 13 20 [************+*****-*] 1
325 1 25 THR HB 1 66 ALA MB 6.000 . 6.500 6.347 6.224 6.436 . 0 0 "[ . 1 . 2]" 1
326 1 25 THR MG 1 26 LEU H 2.700 . 3.200 3.472 3.070 3.807 0.607 19 1 "[ . 1 . +2]" 1
327 1 25 THR MG 1 28 GLU H 2.800 . 3.300 4.617 4.506 4.773 1.473 18 20 [********-********+**] 1
328 1 25 THR MG 1 63 ASN HA 3.400 . 3.900 2.398 1.913 3.234 . 0 0 "[ . 1 . 2]" 1
329 1 25 THR MG 1 64 HIS H 4.400 . 4.900 3.767 3.091 4.496 . 0 0 "[ . 1 . 2]" 1
330 1 25 THR MG 1 66 ALA H 3.700 . 4.200 5.191 5.092 5.276 1.076 19 20 [**********-*******+*] 1
331 1 26 LEU H 1 26 LEU HA 2.500 . 3.000 2.791 2.771 2.802 . 0 0 "[ . 1 . 2]" 1
332 1 26 LEU H 1 26 LEU QB 2.100 . 2.600 2.072 2.025 2.200 . 0 0 "[ . 1 . 2]" 1
333 1 26 LEU H 1 26 LEU QD 2.700 . 3.200 3.290 1.898 3.699 0.499 2 0 "[ . 1 . 2]" 1
334 1 26 LEU H 1 27 LYS H 2.900 . 3.400 2.686 2.653 2.743 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU H 1 27 LYS HA 4.400 . 4.900 5.271 5.237 5.320 0.420 1 0 "[ . 1 . 2]" 1
336 1 26 LEU H 1 28 GLU H 6.000 . 6.500 4.399 4.272 4.547 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU H 1 63 ASN QB 4.800 . 5.300 5.914 5.390 6.448 1.148 10 14 "[* *******+* ***- 2]" 1
338 1 26 LEU H 1 64 HIS H 4.400 2.800 4.400 3.527 3.402 3.705 . 0 0 "[ . 1 . 2]" 1
339 1 26 LEU H 1 66 ALA H 3.800 . 4.300 3.700 3.583 3.839 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU H 1 66 ALA MB 3.600 . 4.100 4.585 4.451 4.745 0.645 2 6 "[ + -. * **. *]" 1
341 1 26 LEU HA 1 26 LEU QD 2.800 . 3.200 2.914 2.347 3.370 0.170 1 0 "[ . 1 . 2]" 1
342 1 26 LEU HA 1 27 LYS H 3.300 . 3.800 3.497 3.487 3.510 . 0 0 "[ . 1 . 2]" 1
343 1 26 LEU HA 1 29 ALA MB 3.900 . 4.400 2.321 2.194 2.494 . 0 0 "[ . 1 . 2]" 1
344 1 26 LEU HA 1 30 LEU H 3.600 . 4.100 4.105 3.854 4.383 0.283 14 0 "[ . 1 . 2]" 1
345 1 26 LEU HA 1 30 LEU QD 6.400 . 6.900 4.548 2.989 5.455 . 0 0 "[ . 1 . 2]" 1
346 1 26 LEU HA 1 61 SER QB 6.400 . 6.900 8.508 7.821 8.932 2.032 1 20 [+******************-] 1
347 1 26 LEU HA 1 66 ALA MB . . 3.600 3.201 2.684 3.492 . 0 0 "[ . 1 . 2]" 1
348 1 26 LEU QB 1 27 LYS H 2.500 . 3.000 3.275 2.931 3.456 0.456 1 0 "[ . 1 . 2]" 1
349 1 26 LEU QB 1 27 LYS QD 4.300 . 4.800 5.426 4.900 5.615 0.815 3 14 "[* +*-****1** **** 2]" 1
350 1 26 LEU QB 1 30 LEU QD 2.400 . 2.900 4.099 2.620 4.957 2.057 2 17 "[ +* .********-******]" 1
351 1 26 LEU QB 1 65 PRO QB 3.500 . 4.000 5.534 5.364 5.626 1.626 17 20 [*-**************+***] 1
352 1 26 LEU QB 1 65 PRO QD 4.200 3.800 4.400 5.282 5.023 5.444 1.044 1 20 [+***********-*******] 1
353 1 26 LEU QB 1 69 LEU QD 3.700 . 4.200 3.733 3.149 4.112 . 0 0 "[ . 1 . 2]" 1
354 1 26 LEU QD 1 62 LEU QB 2.800 . 3.300 3.507 3.228 3.604 0.304 19 0 "[ . 1 . 2]" 1
355 1 26 LEU HG 1 27 LYS H . . 2.900 2.535 2.301 3.109 0.209 2 0 "[ . 1 . 2]" 1
356 1 26 LEU HG 1 27 LYS QD 2.800 . 3.300 3.756 3.130 3.905 0.605 18 17 "[*********1**-****+ 2]" 1
357 1 26 LEU HG 1 30 LEU HA 3.100 . 3.600 7.024 6.498 7.157 3.557 3 20 [*-+*****************] 1
358 1 26 LEU HG 1 61 SER QB 5.000 . 5.500 6.614 5.918 7.379 1.879 10 19 "[*********+*****-** *]" 1
359 1 26 LEU HG 1 66 ALA MB 3.600 . 4.100 5.926 5.546 6.211 2.111 17 20 [****-***********+***] 1
360 1 27 LYS H 1 27 LYS HA 2.400 . 2.900 2.805 2.778 2.827 . 0 0 "[ . 1 . 2]" 1
361 1 27 LYS H 1 27 LYS HB2 2.400 . 2.900 2.301 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
362 1 27 LYS H 1 27 LYS HB3 2.300 . 2.800 2.985 2.636 3.577 0.777 5 6 "[ + 1* **. - *]" 1
363 1 27 LYS H 1 27 LYS QE 5.500 . 6.000 5.016 4.440 5.692 . 0 0 "[ . 1 . 2]" 1
364 1 27 LYS H 1 28 GLU H 2.700 . 3.200 2.712 2.620 2.827 . 0 0 "[ . 1 . 2]" 1
365 1 27 LYS H 1 64 HIS H 5.500 . 6.000 4.530 4.226 5.006 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS H 1 69 LEU QD 2.600 . 3.100 6.879 6.151 7.377 4.277 20 20 [**********-********+] 1
367 1 27 LYS HA 1 27 LYS HG3 . . 3.800 3.076 2.109 3.731 . 0 0 "[ . 1 . 2]" 1
368 1 27 LYS HA 1 28 GLU H 3.300 . 3.800 3.542 3.530 3.557 . 0 0 "[ . 1 . 2]" 1
369 1 27 LYS HA 1 29 ALA H 4.300 . 4.800 4.174 4.030 4.246 . 0 0 "[ . 1 . 2]" 1
370 1 27 LYS HA 1 30 LEU H 3.500 . 4.000 3.547 3.419 3.666 . 0 0 "[ . 1 . 2]" 1
371 1 27 LYS HA 1 62 LEU QD . . 4.100 2.968 2.288 3.978 . 0 0 "[ . 1 . 2]" 1
372 1 27 LYS HB3 1 28 GLU H 2.400 . 2.900 2.793 2.407 3.567 0.667 5 4 "[ + 1 **. -]" 1
373 1 27 LYS QD 1 27 LYS HG2 2.500 . 3.000 2.257 2.141 2.531 . 0 0 "[ . 1 . 2]" 1
374 1 27 LYS QE 1 28 GLU H 7.000 2.800 7.500 5.456 4.609 6.433 . 0 0 "[ . 1 . 2]" 1
375 1 27 LYS QE 1 42 ASN HA 4.100 . 4.600 6.410 5.119 7.119 2.519 17 20 [************-***+***] 1
376 1 27 LYS QE 1 62 LEU H 7.000 . 7.500 6.567 4.920 8.021 0.521 10 2 "[- . + . 2]" 1
377 1 27 LYS QE 1 65 PRO QG 2.900 . 3.400 11.205 10.304 11.929 8.529 17 20 [*****-**********+***] 1
378 1 28 GLU H 1 28 GLU HA 2.500 . 3.000 2.864 2.830 2.869 . 0 0 "[ . 1 . 2]" 1
379 1 28 GLU H 1 28 GLU QB 2.500 . 2.700 2.141 2.072 2.234 . 0 0 "[ . 1 . 2]" 1
380 1 28 GLU H 1 29 ALA H 2.100 . 2.600 2.449 2.427 2.563 . 0 0 "[ . 1 . 2]" 1
381 1 28 GLU H 1 29 ALA HA 5.500 . 6.000 5.090 5.070 5.182 . 0 0 "[ . 1 . 2]" 1
382 1 28 GLU H 1 30 LEU H 4.700 . 5.200 3.972 3.907 4.098 . 0 0 "[ . 1 . 2]" 1
383 1 28 GLU HA 1 29 ALA H 2.600 . 3.100 3.456 3.447 3.462 0.362 19 0 "[ . 1 . 2]" 1
384 1 28 GLU HA 1 31 LYS H 2.900 . 3.400 3.278 3.169 3.372 . 0 0 "[ . 1 . 2]" 1
385 1 28 GLU HA 1 31 LYS QB 7.000 . 7.500 2.326 2.199 2.385 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLU QB 1 29 ALA H 2.900 . 3.200 2.975 2.939 3.014 . 0 0 "[ . 1 . 2]" 1
387 1 28 GLU QB 1 30 LEU H 6.400 . 6.900 4.684 4.600 4.796 . 0 0 "[ . 1 . 2]" 1
388 1 29 ALA H 1 29 ALA HA 2.400 . 2.900 2.885 2.883 2.888 . 0 0 "[ . 1 . 2]" 1
389 1 29 ALA H 1 29 ALA MB 2.200 . 2.700 2.163 2.081 2.276 . 0 0 "[ . 1 . 2]" 1
390 1 29 ALA H 1 30 LEU H 2.200 . 2.700 2.377 2.365 2.394 . 0 0 "[ . 1 . 2]" 1
391 1 29 ALA H 1 31 LYS H 4.500 . 5.000 3.625 3.582 3.684 . 0 0 "[ . 1 . 2]" 1
392 1 29 ALA H 1 32 LYS H 3.500 . 4.000 6.009 5.904 6.151 2.151 11 20 [**-*******+*********] 1
393 1 29 ALA H 1 32 LYS QD 2.500 . 3.000 7.209 5.323 8.522 5.522 11 20 [**-*******+*********] 1
394 1 29 ALA H 1 66 ALA MB 3.700 . 4.200 5.107 4.493 5.521 1.321 19 15 "[* **.****-** ****+2]" 1
395 1 29 ALA HA 1 29 ALA MB 2.400 . 2.900 2.101 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
396 1 29 ALA HA 1 33 ALA MB 2.300 . 2.800 5.605 4.987 5.943 3.143 10 20 [*********+********-*] 1
397 1 29 ALA HA 1 34 LEU QB 6.400 . 6.900 8.258 7.705 8.961 2.061 1 20 [+*****************-*] 1
398 1 29 ALA MB 1 30 LEU H 3.000 . 3.500 2.926 2.760 3.056 . 0 0 "[ . 1 . 2]" 1
399 1 30 LEU H 1 30 LEU HA 2.500 . 3.000 2.940 2.932 2.947 . 0 0 "[ . 1 . 2]" 1
400 1 30 LEU H 1 30 LEU QB 2.500 . 3.000 2.349 2.245 2.426 . 0 0 "[ . 1 . 2]" 1
401 1 30 LEU H 1 30 LEU QD 3.500 . 4.000 3.393 2.461 3.844 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU H 1 31 LYS H 2.500 . 2.500 2.101 1.968 2.214 . 0 0 "[ . 1 . 2]" 1
403 1 30 LEU HA 1 30 LEU QD 2.500 . 3.000 2.642 1.945 3.041 0.041 19 0 "[ . 1 . 2]" 1
404 1 30 LEU HA 1 31 LYS H 2.900 . 3.400 3.308 3.290 3.346 . 0 0 "[ . 1 . 2]" 1
405 1 30 LEU HA 1 39 ILE MG 4.400 . 4.900 7.601 7.511 7.719 2.819 18 20 [*********-*******+**] 1
406 1 30 LEU QB 1 31 LYS H 2.500 . 2.900 3.290 3.229 3.322 0.422 15 0 "[ . 1 . 2]" 1
407 1 30 LEU QB 1 34 LEU QD 5.000 . 5.500 3.024 1.941 3.891 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU QD 1 31 LYS H 3.000 . 3.500 4.038 3.972 4.153 0.653 2 19 [*+******-**********2] 1
409 1 30 LEU QD 1 33 ALA MB 2.400 . 2.900 2.729 1.801 3.629 0.729 4 4 "[ +- 1 **. 2]" 1
410 1 30 LEU QD 1 65 PRO QD 4.200 . 4.700 8.759 7.600 9.638 4.938 10 20 [*********+**-*******] 1
411 1 31 LYS H 1 31 LYS HA 2.300 . 2.800 2.764 2.750 2.786 . 0 0 "[ . 1 . 2]" 1
412 1 31 LYS H 1 31 LYS QB 2.400 . 2.800 2.238 2.229 2.250 . 0 0 "[ . 1 . 2]" 1
413 1 31 LYS H 1 31 LYS QE 6.400 . 6.900 5.539 4.121 6.045 . 0 0 "[ . 1 . 2]" 1
414 1 31 LYS H 1 32 LYS H 3.200 . 3.500 3.007 2.931 3.076 . 0 0 "[ . 1 . 2]" 1
415 1 31 LYS HA 1 31 LYS HG2 4.300 . 4.800 3.753 3.626 3.830 . 0 0 "[ . 1 . 2]" 1
416 1 31 LYS HA 1 32 LYS H 3.600 . 4.100 3.568 3.563 3.571 . 0 0 "[ . 1 . 2]" 1
417 1 31 LYS HA 1 32 LYS QD 4.500 . 5.000 5.280 4.740 5.506 0.506 12 2 "[ - . 1 + . 2]" 1
418 1 31 LYS HA 1 33 ALA H 5.000 . 5.500 4.480 4.373 4.699 . 0 0 "[ . 1 . 2]" 1
419 1 31 LYS HA 1 34 LEU H 3.800 . 4.300 3.646 3.513 3.943 . 0 0 "[ . 1 . 2]" 1
420 1 31 LYS HA 1 34 LEU QD 6.800 . 7.300 2.997 1.902 4.102 . 0 0 "[ . 1 . 2]" 1
421 1 31 LYS HA 1 35 LYS H 4.100 . 4.600 4.215 3.985 4.460 . 0 0 "[ . 1 . 2]" 1
422 1 31 LYS QB 1 34 LEU QD 2.700 . 3.200 4.363 3.463 5.434 2.234 19 13 "[ ***- 1********+2]" 1
423 1 31 LYS QB 1 35 LYS QG 6.800 . 7.300 5.621 3.977 6.842 . 0 0 "[ . 1 . 2]" 1
424 1 31 LYS HG3 1 32 LYS H 2.700 . 3.200 3.357 2.795 3.715 0.515 6 2 "[ .+ -1 . 2]" 1
425 1 32 LYS H 1 32 LYS HA 2.400 . 2.900 2.800 2.778 2.831 . 0 0 "[ . 1 . 2]" 1
426 1 32 LYS H 1 32 LYS QB 2.200 . 2.700 2.377 2.043 2.628 . 0 0 "[ . 1 . 2]" 1
427 1 32 LYS H 1 34 LEU H 4.700 . 5.200 4.158 4.081 4.308 . 0 0 "[ . 1 . 2]" 1
428 1 32 LYS H 1 34 LEU QD 6.400 . 6.900 5.283 4.405 6.201 . 0 0 "[ . 1 . 2]" 1
429 1 32 LYS H 1 35 LYS QE 6.400 . 6.900 6.486 3.922 7.991 1.091 6 4 "[ .+ 1 **- 2]" 1
430 1 32 LYS H 1 36 VAL QG 6.800 . 7.300 5.662 4.871 6.637 . 0 0 "[ . 1 . 2]" 1
431 1 32 LYS HA 1 32 LYS QB 2.500 . 3.000 2.387 2.176 2.540 . 0 0 "[ . 1 . 2]" 1
432 1 32 LYS QB 1 33 ALA H 2.100 . 2.600 2.774 2.563 3.441 0.841 7 3 "[ - . + 1 * . 2]" 1
433 1 32 LYS QB 1 35 LYS QD 3.000 . 3.500 5.265 4.022 6.352 2.852 4 20 [***+*****-**********] 1
434 1 32 LYS QD 1 35 LYS QE 2.300 . 2.800 4.980 2.408 7.692 4.892 3 19 "[**+************* -**]" 1
435 1 32 LYS QE 1 36 VAL QG 5.000 . 5.500 5.909 4.102 6.662 1.162 4 10 "[ *+.* ** * *** -]" 1
436 1 32 LYS QG 1 35 LYS QE 3.800 . 4.300 5.709 3.028 7.780 3.480 3 16 "[* +*.******-*** ***]" 1
437 1 33 ALA H 1 33 ALA HA 2.200 . 2.700 2.815 2.784 2.822 0.122 8 0 "[ . 1 . 2]" 1
438 1 33 ALA H 1 33 ALA MB 2.300 . 2.800 2.107 2.029 2.234 . 0 0 "[ . 1 . 2]" 1
439 1 33 ALA H 1 34 LEU H 2.300 . 2.800 2.644 2.602 2.746 . 0 0 "[ . 1 . 2]" 1
440 1 33 ALA H 1 34 LEU QD 3.600 . 4.100 4.721 4.200 5.568 1.468 19 13 "[ -*** 1********+2]" 1
441 1 33 ALA H 1 36 VAL QG 4.300 . 4.800 4.218 3.710 5.105 0.305 10 0 "[ . 1 . 2]" 1
442 1 33 ALA HA 1 33 ALA MB 2.400 . 2.700 2.100 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
443 1 33 ALA HA 1 34 LEU QB 2.500 . 3.000 5.241 5.161 5.433 2.433 1 20 [+***************-***] 1
444 1 33 ALA HA 1 34 LEU QD 6.000 . 6.500 5.341 5.097 5.741 . 0 0 "[ . 1 . 2]" 1
445 1 33 ALA HA 1 35 LYS HA 4.500 . 5.000 6.820 6.708 6.976 1.976 11 20 [**********+****-****] 1
446 1 33 ALA HA 1 36 VAL HB 6.400 . 6.900 3.951 2.909 5.049 . 0 0 "[ . 1 . 2]" 1
447 1 33 ALA HA 1 36 VAL QG 3.400 . 3.900 2.363 1.925 3.294 . 0 0 "[ . 1 . 2]" 1
448 1 33 ALA MB 1 34 LEU H 2.400 . 2.900 2.739 2.504 2.887 . 0 0 "[ . 1 . 2]" 1
449 1 33 ALA MB 1 34 LEU QD 3.200 . 3.700 3.684 3.333 4.108 0.408 19 0 "[ . 1 . 2]" 1
450 1 33 ALA MB 1 37 ARG QG 3.700 . 4.200 5.574 3.820 6.771 2.571 18 17 "[**-**** ******* *+ *]" 1
451 1 34 LEU H 1 34 LEU HA 2.400 . 2.900 2.872 2.841 2.887 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU H 1 34 LEU QB 2.500 . 2.900 2.246 2.053 2.679 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU H 1 34 LEU QD 2.500 . 3.000 3.101 2.776 3.633 0.633 19 1 "[ . 1 . +2]" 1
454 1 34 LEU H 1 34 LEU HG 2.300 . 2.800 3.751 1.970 4.592 1.792 12 13 "[ **-* 1*+*******2]" 1
455 1 34 LEU H 1 35 LYS H 2.400 . 2.800 2.481 2.350 2.636 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU H 1 36 VAL QG 4.500 . 5.000 4.221 3.668 4.931 . 0 0 "[ . 1 . 2]" 1
457 1 34 LEU H 1 37 ARG H . . 2.800 4.987 4.525 5.477 2.677 7 20 [******+************-] 1
458 1 34 LEU H 1 39 ILE H 3.700 . 4.200 6.006 5.368 6.500 2.300 7 20 [******+************-] 1
459 1 34 LEU HA 1 34 LEU QD . . 3.000 2.596 2.068 3.425 0.425 1 0 "[ . 1 . 2]" 1
460 1 34 LEU HA 1 41 PRO QB 5.000 . 5.500 7.480 6.897 8.306 2.806 10 20 [*-*******+**********] 1
461 1 34 LEU QB 1 38 GLY H 3.400 . 3.900 4.872 4.446 5.544 1.644 19 20 [*****-************+*] 1
462 1 34 LEU QD 1 38 GLY H 5.500 . 6.000 4.825 3.700 5.468 . 0 0 "[ . 1 . 2]" 1
463 1 34 LEU QD 1 43 LYS HA 6.200 . 6.700 6.950 6.248 7.904 1.204 6 7 "[* .+**** . - 2]" 1
464 1 34 LEU QD 1 44 VAL HA 6.000 . 6.500 6.123 5.114 7.540 1.040 6 5 "[* .+-**1 . 2]" 1
465 1 34 LEU HG 1 35 LYS H 2.300 . 2.800 3.967 2.246 4.736 1.936 5 14 "[ ***+ 1********-*]" 1
466 1 34 LEU HG 1 38 GLY H 5.000 . 5.500 5.390 4.496 6.247 0.747 20 4 "[* .- * . +]" 1
467 1 34 LEU HG 1 39 ILE H 4.100 . 4.600 4.021 2.887 5.333 0.733 10 6 "[* .***-+ . 2]" 1
468 1 35 LYS H 1 35 LYS HA 2.200 . 2.700 2.801 2.773 2.849 0.149 20 0 "[ . 1 . 2]" 1
469 1 35 LYS H 1 35 LYS QE 6.000 . 6.500 5.009 3.481 5.995 . 0 0 "[ . 1 . 2]" 1
470 1 35 LYS H 1 36 VAL H 2.600 . 3.100 2.697 2.574 2.789 . 0 0 "[ . 1 . 2]" 1
471 1 35 LYS H 1 37 ARG H 4.200 . 4.700 4.111 3.841 4.446 . 0 0 "[ . 1 . 2]" 1
472 1 35 LYS HA 1 35 LYS QB 2.600 . 3.100 2.453 2.163 2.539 . 0 0 "[ . 1 . 2]" 1
473 1 35 LYS HA 1 35 LYS HG2 4.000 . 4.500 2.678 2.109 4.230 . 0 0 "[ . 1 . 2]" 1
474 1 35 LYS HA 1 35 LYS HG3 4.200 . 4.700 2.903 2.097 3.614 . 0 0 "[ . 1 . 2]" 1
475 1 35 LYS HA 1 38 GLY HA2 4.500 . 5.000 3.395 2.944 4.065 . 0 0 "[ . 1 . 2]" 1
476 1 35 LYS HA 1 39 ILE HA 3.800 . 4.300 6.482 6.101 6.904 2.604 20 20 [***********-*******+] 1
477 1 35 LYS QB 1 36 VAL H 2.400 . 2.900 2.804 2.381 3.568 0.668 18 1 "[ . 1 . + 2]" 1
478 1 35 LYS QB 1 37 ARG H 4.300 . 4.800 4.604 4.313 4.994 0.194 18 0 "[ . 1 . 2]" 1
479 1 36 VAL H 1 36 VAL HB 2.300 . 2.800 2.592 2.445 3.614 0.814 12 1 "[ . 1 + . 2]" 1
480 1 36 VAL H 1 36 VAL QG 2.200 . 2.700 2.166 1.916 2.394 . 0 0 "[ . 1 . 2]" 1
481 1 36 VAL H 1 37 ARG H 2.500 . 3.000 2.572 2.506 2.705 . 0 0 "[ . 1 . 2]" 1
482 1 36 VAL H 1 38 GLY H 2.900 . 3.400 3.776 3.569 3.955 0.555 12 6 "[ *. 1*+- * *2]" 1
483 1 36 VAL H 1 73 LYS QD 3.600 . 4.100 17.993 15.758 20.717 16.617 8 20 [*******+****-*******] 1
484 1 36 VAL HA 1 36 VAL HB 2.400 . 2.900 2.775 2.447 3.022 0.122 17 0 "[ . 1 . 2]" 1
485 1 36 VAL HA 1 36 VAL QG 2.500 . 3.000 2.137 2.045 2.293 . 0 0 "[ . 1 . 2]" 1
486 1 36 VAL HA 1 37 ARG H 2.500 . 3.000 3.474 3.415 3.516 0.516 17 6 "[ .* * 1 *.-+ *]" 1
487 1 36 VAL QG 1 37 ARG H 2.400 . 2.900 2.869 1.914 3.408 0.508 19 1 "[ . 1 . +2]" 1
488 1 36 VAL QG 1 37 ARG QG 4.500 . 5.000 3.849 2.404 4.971 . 0 0 "[ . 1 . 2]" 1
489 1 36 VAL QG 1 38 GLY H 3.900 . 4.400 4.238 3.761 4.529 0.129 7 0 "[ . 1 . 2]" 1
490 1 37 ARG H 1 37 ARG HA 2.800 . 3.300 2.930 2.881 2.942 . 0 0 "[ . 1 . 2]" 1
491 1 37 ARG H 1 37 ARG HB2 2.400 . 2.900 2.612 2.279 3.687 0.787 17 1 "[ . 1 . + 2]" 1
492 1 37 ARG H 1 37 ARG HB3 2.700 . 3.200 3.123 2.700 3.718 0.518 7 3 "[ .*+ 1 .- 2]" 1
493 1 37 ARG H 1 37 ARG QD 4.300 . 4.800 4.011 2.044 4.705 . 0 0 "[ . 1 . 2]" 1
494 1 37 ARG H 1 38 GLY H 2.200 . 2.700 2.150 2.038 2.418 . 0 0 "[ . 1 . 2]" 1
495 1 37 ARG H 1 38 GLY HA3 4.100 . 4.600 4.856 4.760 5.085 0.485 1 0 "[ . 1 . 2]" 1
496 1 37 ARG H 1 39 ILE H 3.300 . 3.800 3.520 3.296 3.804 0.004 8 0 "[ . 1 . 2]" 1
497 1 37 ARG HA 1 37 ARG QG 3.600 . 4.100 2.600 2.043 3.392 . 0 0 "[ . 1 . 2]" 1
498 1 37 ARG HA 1 38 GLY H 3.300 . 3.800 3.361 3.255 3.408 . 0 0 "[ . 1 . 2]" 1
499 1 37 ARG HA 1 39 ILE H 5.500 . 6.000 4.505 4.249 4.756 . 0 0 "[ . 1 . 2]" 1
500 1 37 ARG HB3 1 38 GLY H 4.100 . 4.600 3.693 3.195 4.279 . 0 0 "[ . 1 . 2]" 1
501 1 37 ARG HB3 1 39 ILE H 4.700 . 5.200 3.184 2.432 4.608 . 0 0 "[ . 1 . 2]" 1
502 1 37 ARG QD 1 38 GLY H 5.500 . 6.000 5.094 3.714 5.682 . 0 0 "[ . 1 . 2]" 1
503 1 37 ARG QG 1 38 GLY H 4.100 . 4.600 4.287 2.479 4.714 0.114 12 0 "[ . 1 . 2]" 1
504 1 38 GLY H 1 38 GLY HA2 2.100 . 2.600 2.318 2.306 2.359 . 0 0 "[ . 1 . 2]" 1
505 1 38 GLY H 1 38 GLY HA3 2.100 . 2.600 2.879 2.859 2.923 0.323 16 0 "[ . 1 . 2]" 1
506 1 38 GLY HA3 1 39 ILE H 2.800 . 3.300 3.387 3.229 3.463 0.163 6 0 "[ . 1 . 2]" 1
507 1 39 ILE H 1 39 ILE HA 2.200 . 2.700 2.876 2.836 2.933 0.233 11 0 "[ . 1 . 2]" 1
508 1 39 ILE H 1 39 ILE HB 2.200 . 2.700 2.344 2.159 2.466 . 0 0 "[ . 1 . 2]" 1
509 1 39 ILE H 1 39 ILE MD 2.600 . 3.100 3.022 1.917 3.729 0.629 7 5 "[- .*+ *1 . *2]" 1
510 1 39 ILE H 1 39 ILE MG 2.600 . 3.100 3.559 2.456 3.769 0.669 20 16 "[****** * 1****** -*+]" 1
511 1 39 ILE H 1 40 ASP H 4.700 . 4.700 4.583 4.476 4.625 . 0 0 "[ . 1 . 2]" 1
512 1 39 ILE HA 1 39 ILE MD 4.500 . 5.000 2.245 1.949 2.786 . 0 0 "[ . 1 . 2]" 1
513 1 39 ILE HA 1 40 ASP H 2.000 . 2.500 2.216 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
514 1 39 ILE HA 1 44 VAL HB 2.500 . 3.000 6.274 4.769 7.023 4.023 10 20 [*********+***-******] 1
515 1 39 ILE HB 1 40 ASP H 3.700 . 4.200 4.123 3.961 4.373 0.173 6 0 "[ . 1 . 2]" 1
516 1 39 ILE MD 1 40 ASP H 2.400 . 2.900 3.669 2.729 4.542 1.642 4 8 "[ **+* ** . -* 2]" 1
517 1 39 ILE MG 1 40 ASP H 4.100 . 4.600 2.338 2.028 3.333 . 0 0 "[ . 1 . 2]" 1
518 1 40 ASP H 1 40 ASP QB 2.100 . 2.600 2.248 2.103 2.365 . 0 0 "[ . 1 . 2]" 1
519 1 40 ASP H 1 41 PRO QD 4.400 . 4.900 4.364 4.354 4.371 . 0 0 "[ . 1 . 2]" 1
520 1 40 ASP H 1 43 LYS H 4.500 . 5.000 4.429 4.137 4.625 . 0 0 "[ . 1 . 2]" 1
521 1 40 ASP H 1 43 LYS QB 3.800 . 4.300 3.218 2.786 4.230 . 0 0 "[ . 1 . 2]" 1
522 1 40 ASP H 1 43 LYS QG 6.300 . 6.800 3.854 1.887 5.162 . 0 0 "[ . 1 . 2]" 1
523 1 40 ASP HA 1 41 PRO QD 2.700 . 3.200 2.022 2.013 2.027 . 0 0 "[ . 1 . 2]" 1
524 1 40 ASP QB 1 44 VAL H 3.900 . 4.400 4.493 4.088 4.751 0.351 5 0 "[ . 1 . 2]" 1
525 1 41 PRO HA 1 42 ASN H 3.000 . 3.500 3.486 3.442 3.531 0.031 11 0 "[ . 1 . 2]" 1
526 1 41 PRO HA 1 43 LYS H 3.500 . 4.000 3.731 3.573 4.114 0.114 8 0 "[ . 1 . 2]" 1
527 1 41 PRO HA 1 44 VAL H 4.200 . 4.700 3.995 3.398 4.700 . 0 0 "[ . 1 . 2]" 1
528 1 41 PRO HA 1 44 VAL QG 3.000 . 3.500 2.596 1.936 3.025 . 0 0 "[ . 1 . 2]" 1
529 1 41 PRO HA 1 62 LEU QD 3.100 . 3.600 3.641 3.209 3.993 0.393 10 0 "[ . 1 . 2]" 1
530 1 41 PRO QB 1 42 ASN H 2.600 . 3.100 3.341 3.171 3.473 0.373 17 0 "[ . 1 . 2]" 1
531 1 41 PRO QD 1 42 ASN H 2.700 . 3.200 2.634 2.602 2.685 . 0 0 "[ . 1 . 2]" 1
532 1 41 PRO QD 1 42 ASN HA 2.700 . 3.200 5.231 5.166 5.249 2.049 20 20 [******************-+] 1
533 1 42 ASN H 1 42 ASN HA 2.500 . 3.000 2.926 2.892 2.940 . 0 0 "[ . 1 . 2]" 1
534 1 42 ASN H 1 42 ASN HB2 2.600 . 3.100 2.361 2.147 2.566 . 0 0 "[ . 1 . 2]" 1
535 1 42 ASN H 1 42 ASN HB3 2.600 . 3.100 3.115 2.723 3.513 0.413 19 0 "[ . 1 . 2]" 1
536 1 42 ASN H 1 42 ASN QD 4.400 . 4.900 4.371 3.015 4.787 . 0 0 "[ . 1 . 2]" 1
537 1 42 ASN H 1 43 LYS H 2.400 . 2.900 2.465 2.169 2.591 . 0 0 "[ . 1 . 2]" 1
538 1 42 ASN H 1 43 LYS QG 3.800 . 4.300 4.193 3.584 4.800 0.500 14 0 "[ . 1 . 2]" 1
539 1 42 ASN H 1 44 VAL H 3.900 . 4.400 4.170 3.853 4.464 0.064 9 0 "[ . 1 . 2]" 1
540 1 42 ASN H 1 44 VAL QG 2.800 . 3.300 4.308 3.988 4.725 1.425 3 20 [**+*-***************] 1
541 1 42 ASN HA 1 42 ASN HB2 2.800 . 3.300 2.784 2.585 2.987 . 0 0 "[ . 1 . 2]" 1
542 1 42 ASN HA 1 79 LEU QB 2.600 . 3.100 6.518 5.213 7.676 4.576 7 20 [******+*********-***] 1
543 1 42 ASN QB 1 43 LYS H 2.700 . 3.200 3.557 3.201 3.608 0.408 20 0 "[ . 1 . 2]" 1
544 1 42 ASN QB 1 44 VAL H 5.000 . 5.500 4.921 4.632 5.045 . 0 0 "[ . 1 . 2]" 1
545 1 42 ASN QD 1 44 VAL H 5.600 . 6.100 6.033 5.028 6.529 0.429 19 0 "[ . 1 . 2]" 1
546 1 43 LYS H 1 43 LYS HA 2.500 . 3.000 2.942 2.921 2.948 . 0 0 "[ . 1 . 2]" 1
547 1 43 LYS H 1 43 LYS QB 2.600 . 3.100 2.563 2.315 3.038 . 0 0 "[ . 1 . 2]" 1
548 1 43 LYS H 1 43 LYS HD3 4.700 . 5.200 5.165 4.671 5.598 0.398 18 0 "[ . 1 . 2]" 1
549 1 43 LYS H 1 43 LYS QG 2.700 . 3.200 3.202 2.331 3.780 0.580 14 1 "[ . 1 +. 2]" 1
550 1 43 LYS H 1 43 LYS QZ 6.000 . 6.500 6.038 4.709 6.787 0.287 14 0 "[ . 1 . 2]" 1
551 1 43 LYS H 1 44 VAL H 2.400 . 2.900 2.015 1.877 2.394 . 0 0 "[ . 1 . 2]" 1
552 1 43 LYS H 1 44 VAL HA 6.800 . 7.300 4.658 4.531 4.947 . 0 0 "[ . 1 . 2]" 1
553 1 43 LYS H 1 44 VAL HB 4.500 . 5.000 4.950 3.946 5.537 0.537 12 5 "[ . 1-+ * * *]" 1
554 1 43 LYS H 1 44 VAL QG 2.700 . 3.200 3.062 2.756 3.620 0.420 8 0 "[ . 1 . 2]" 1
555 1 43 LYS HA 1 43 LYS QE 5.500 . 6.000 4.311 3.687 5.058 . 0 0 "[ . 1 . 2]" 1
556 1 43 LYS HA 1 44 VAL H 2.400 . 2.900 3.195 3.026 3.329 0.429 18 0 "[ . 1 . 2]" 1
557 1 43 LYS HA 1 44 VAL HA 2.700 . 3.200 4.439 4.403 4.480 1.280 18 20 [*-***************+**] 1
558 1 43 LYS HA 1 44 VAL QG 5.500 . 6.000 4.264 3.919 4.765 . 0 0 "[ . 1 . 2]" 1
559 1 43 LYS HA 1 45 GLN H 3.100 . 3.600 6.568 6.454 6.715 3.115 17 20 [*-**************+***] 1
560 1 43 LYS QB 1 44 VAL H 3.800 . 4.300 3.578 3.274 3.992 . 0 0 "[ . 1 . 2]" 1
561 1 43 LYS QE 1 43 LYS QG 2.900 . 3.400 2.110 1.979 2.281 . 0 0 "[ . 1 . 2]" 1
562 1 43 LYS QG 1 44 VAL H 3.600 . 4.100 4.244 2.919 4.739 0.639 10 8 "[ * .-* + **** 2]" 1
563 1 44 VAL H 1 44 VAL HA 2.800 . 3.300 2.921 2.919 2.938 . 0 0 "[ . 1 . 2]" 1
564 1 44 VAL H 1 44 VAL HB 3.100 . 3.600 3.632 3.198 3.938 0.338 5 0 "[ . 1 . 2]" 1
565 1 44 VAL H 1 44 VAL QG 2.600 . 3.100 2.244 2.047 2.361 . 0 0 "[ . 1 . 2]" 1
566 1 44 VAL H 1 45 GLN H 3.700 . 4.200 4.409 4.403 4.441 0.241 18 0 "[ . 1 . 2]" 1
567 1 44 VAL H 1 46 VAL H 5.000 . 5.500 6.848 6.511 7.002 1.502 14 20 [*****-*******+******] 1
568 1 44 VAL H 1 76 VAL H 6.900 . 7.400 10.809 10.078 11.455 4.055 10 20 [*****-***+**********] 1
569 1 44 VAL H 1 79 LEU H 6.400 . 6.900 4.724 4.331 5.049 . 0 0 "[ . 1 . 2]" 1
570 1 44 VAL H 1 79 LEU HA 6.000 . 6.500 6.953 6.086 7.513 1.013 6 10 "[****.+ 1 *- * * *]" 1
571 1 44 VAL HA 1 44 VAL HB 2.600 . 3.100 2.465 2.403 2.529 . 0 0 "[ . 1 . 2]" 1
572 1 44 VAL HA 1 44 VAL QG 2.600 . 3.100 2.222 2.103 2.359 . 0 0 "[ . 1 . 2]" 1
573 1 44 VAL HA 1 45 GLN H 2.300 . 2.800 2.374 2.346 2.484 . 0 0 "[ . 1 . 2]" 1
574 1 44 VAL HA 1 76 VAL QG 6.000 . 6.500 4.323 3.830 5.158 . 0 0 "[ . 1 . 2]" 1
575 1 44 VAL HA 1 78 PRO HA 2.800 . 3.300 2.334 2.014 2.950 . 0 0 "[ . 1 . 2]" 1
576 1 44 VAL HA 1 79 LEU H 2.600 . 3.100 2.786 2.250 3.188 0.088 20 0 "[ . 1 . 2]" 1
577 1 44 VAL HA 1 79 LEU QB 4.200 . 4.700 3.506 1.985 4.418 . 0 0 "[ . 1 . 2]" 1
578 1 44 VAL HB 1 45 GLN H 2.500 . 3.000 3.034 2.209 3.934 0.934 2 8 "[ +* . **-1 **.* 2]" 1
579 1 44 VAL QG 1 45 GLN H 2.600 . 3.100 2.640 1.877 3.231 0.131 12 0 "[ . 1 . 2]" 1
580 1 44 VAL QG 1 46 VAL QG 2.100 . 2.600 3.142 2.665 3.498 0.898 12 11 "[* ** **+- * ***2]" 1
581 1 44 VAL QG 1 48 LEU QD 4.300 . 4.800 8.752 7.964 9.373 4.573 19 20 [*************-****+*] 1
582 1 44 VAL QG 1 76 VAL QG 2.100 . 2.600 2.169 1.783 3.071 0.471 10 0 "[ . 1 . 2]" 1
583 1 44 VAL QG 1 78 PRO HA 2.900 . 3.400 2.218 1.947 2.797 . 0 0 "[ . 1 . 2]" 1
584 1 44 VAL QG 1 79 LEU H 2.800 . 3.300 3.525 2.792 4.094 0.794 9 6 "[ -* . *+1 *.* 2]" 1
585 1 45 GLN H 1 45 GLN HA 2.900 . 3.400 2.931 2.908 2.947 . 0 0 "[ . 1 . 2]" 1
586 1 45 GLN H 1 45 GLN QE 3.700 . 4.200 4.477 3.158 4.705 0.505 18 3 "[ - * . + 2]" 1
587 1 45 GLN H 1 45 GLN QG 4.200 . 4.700 3.777 2.174 4.326 . 0 0 "[ . 1 . 2]" 1
588 1 45 GLN H 1 46 VAL H 3.100 . 3.600 4.379 4.301 4.441 0.841 18 20 [***************-*+**] 1
589 1 45 GLN H 1 77 VAL QG 4.000 . 4.500 3.667 2.839 4.380 . 0 0 "[ . 1 . 2]" 1
590 1 45 GLN H 1 79 LEU H 4.000 . 4.500 4.620 4.238 5.001 0.501 11 1 "[ . 1+ . 2]" 1
591 1 45 GLN H 1 79 LEU QB 4.200 . 4.700 4.424 3.093 5.185 0.485 11 0 "[ . 1 . 2]" 1
592 1 45 GLN HA 1 45 GLN HG2 4.300 . 4.800 3.154 2.211 3.703 . 0 0 "[ . 1 . 2]" 1
593 1 45 GLN HA 1 45 GLN QG 3.800 . 4.300 2.517 2.008 3.360 . 0 0 "[ . 1 . 2]" 1
594 1 45 GLN HA 1 46 VAL H 2.200 . 2.700 2.232 2.181 2.290 . 0 0 "[ . 1 . 2]" 1
595 1 45 GLN HA 1 46 VAL QG 4.700 . 5.200 3.357 3.234 3.477 . 0 0 "[ . 1 . 2]" 1
596 1 45 GLN HA 1 78 PRO QB 4.500 . 5.000 7.781 7.433 8.062 3.062 17 20 [******-*********+***] 1
597 1 45 GLN QB 1 46 VAL H 2.500 . 3.000 3.199 2.762 3.597 0.597 20 5 "[ *. 1 -*. * +]" 1
598 1 45 GLN QB 1 79 LEU QD 4.500 . 5.000 2.875 1.759 5.654 0.654 9 1 "[ . +1 . 2]" 1
599 1 45 GLN QE 1 46 VAL H 4.400 . 4.900 3.936 1.934 5.407 0.507 2 2 "[ + . 1 - . 2]" 1
600 1 45 GLN QG 1 46 VAL H 4.200 . 4.700 3.224 2.072 4.578 . 0 0 "[ . 1 . 2]" 1
601 1 45 GLN HG2 1 46 VAL QG 4.700 . 5.200 5.127 4.000 5.719 0.519 18 1 "[ . 1 . + 2]" 1
602 1 45 GLN HG2 1 47 TYR QD 5.500 . 6.000 5.351 3.276 6.505 0.505 10 1 "[ . + . 2]" 1
603 1 45 GLN HG3 1 47 TYR QD 5.500 . 6.000 5.352 3.473 6.431 0.431 12 0 "[ . 1 . 2]" 1
604 1 46 VAL H 1 46 VAL HA 2.900 . 3.400 2.945 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
605 1 46 VAL H 1 46 VAL HB 2.400 . 2.900 2.992 2.628 3.696 0.796 1 6 "[+ *- 1* . * *2]" 1
606 1 46 VAL H 1 46 VAL QG 2.400 . 2.900 2.343 1.889 2.648 . 0 0 "[ . 1 . 2]" 1
607 1 46 VAL H 1 47 TYR QD 7.000 . 7.500 4.840 3.939 5.430 . 0 0 "[ . 1 . 2]" 1
608 1 46 VAL H 1 51 SER H 5.600 . 6.100 16.686 15.183 17.499 11.399 18 20 [******-**********+**] 1
609 1 46 VAL H 1 60 LEU H 6.100 . 6.600 4.444 3.886 5.037 . 0 0 "[ . 1 . 2]" 1
610 1 46 VAL H 1 60 LEU QB 6.500 . 7.000 5.038 4.031 6.262 . 0 0 "[ . 1 . 2]" 1
611 1 46 VAL H 1 61 SER QB 6.300 . 6.800 8.292 8.188 8.443 1.643 19 20 [***********-******+*] 1
612 1 46 VAL H 1 76 VAL H 5.100 . 5.600 7.676 7.321 8.118 2.518 13 20 [************+*-*****] 1
613 1 46 VAL HA 1 46 VAL QG 2.900 . 3.400 2.105 2.041 2.207 . 0 0 "[ . 1 . 2]" 1
614 1 46 VAL HA 1 47 TYR H 2.200 . 2.700 2.179 2.146 2.216 . 0 0 "[ . 1 . 2]" 1
615 1 46 VAL HA 1 47 TYR QB 5.000 . 5.500 4.379 4.160 4.541 . 0 0 "[ . 1 . 2]" 1
616 1 46 VAL HA 1 75 LYS H 4.300 . 4.800 4.335 4.082 4.658 . 0 0 "[ . 1 . 2]" 1
617 1 46 VAL HA 1 76 VAL HA 2.900 . 3.400 2.556 2.282 3.044 . 0 0 "[ . 1 . 2]" 1
618 1 46 VAL HA 1 76 VAL QG 6.800 . 7.300 3.330 2.429 3.753 . 0 0 "[ . 1 . 2]" 1
619 1 46 VAL HB 1 47 TYR H 3.000 . 3.500 3.728 2.927 4.033 0.533 20 6 "[ . - 1 *** * +]" 1
620 1 46 VAL QG 1 47 TYR H 2.600 . 3.100 2.685 2.176 3.539 0.439 19 0 "[ . 1 . 2]" 1
621 1 46 VAL QG 1 60 LEU H 3.600 . 4.100 4.297 3.078 4.958 0.858 10 8 "[ ** . *+ - .* * *]" 1
622 1 46 VAL QG 1 76 VAL HA 4.200 . 4.700 2.795 2.432 3.458 . 0 0 "[ . 1 . 2]" 1
623 1 47 TYR H 1 47 TYR QB 2.700 . 3.200 2.757 2.437 3.112 . 0 0 "[ . 1 . 2]" 1
624 1 47 TYR H 1 47 TYR QD 2.700 . 3.200 2.952 2.451 3.754 0.554 17 1 "[ . 1 . + 2]" 1
625 1 47 TYR H 1 48 LEU H 3.700 . 4.200 4.433 4.345 4.522 0.322 10 0 "[ . 1 . 2]" 1
626 1 47 TYR H 1 49 LEU HA 2.900 . 3.400 7.798 7.291 8.222 4.822 10 20 [*********+*********-] 1
627 1 47 TYR H 1 59 PRO HA 6.100 . 6.600 5.336 4.739 6.257 . 0 0 "[ . 1 . 2]" 1
628 1 47 TYR H 1 73 LYS HA 7.000 . 7.500 8.977 8.641 9.074 1.574 19 20 [**************-***+*] 1
629 1 47 TYR H 1 75 LYS QG 5.200 . 5.700 5.191 3.447 5.726 0.026 20 0 "[ . 1 . 2]" 1
630 1 47 TYR H 1 76 VAL H 5.100 . 5.600 5.093 4.944 5.177 . 0 0 "[ . 1 . 2]" 1
631 1 47 TYR HA 1 47 TYR QD 4.100 . 4.600 3.029 1.990 3.739 . 0 0 "[ . 1 . 2]" 1
632 1 47 TYR HA 1 48 LEU H 2.300 . 2.800 2.267 2.177 2.346 . 0 0 "[ . 1 . 2]" 1
633 1 47 TYR HA 1 49 LEU HG 5.000 . 5.500 6.883 6.294 7.023 1.523 16 20 [*********-*****+****] 1
634 1 47 TYR HA 1 57 GLU H 7.000 . 7.500 7.308 6.225 8.016 0.516 19 1 "[ . 1 . +2]" 1
635 1 47 TYR HA 1 57 GLU HA 5.000 . 5.500 5.215 3.956 5.786 0.286 19 0 "[ . 1 . 2]" 1
636 1 47 TYR HA 1 59 PRO HA 3.200 . 3.300 2.922 2.359 3.647 0.347 5 0 "[ . 1 . 2]" 1
637 1 47 TYR QB 1 48 LEU H 3.700 . 3.700 2.761 2.528 3.050 . 0 0 "[ . 1 . 2]" 1
638 1 47 TYR QB 1 58 GLN H 3.900 . 4.400 3.126 2.562 3.657 . 0 0 "[ . 1 . 2]" 1
639 1 47 TYR QB 1 60 LEU H 7.000 . 7.100 5.241 3.991 6.676 . 0 0 "[ . 1 . 2]" 1
640 1 47 TYR QB 1 75 LYS H 3.900 . 4.400 4.026 3.261 4.930 0.530 19 1 "[ . 1 . +2]" 1
641 1 47 TYR QD 1 48 LEU H 4.000 . 4.500 3.897 3.495 4.389 . 0 0 "[ . 1 . 2]" 1
642 1 47 TYR QD 1 59 PRO HA 3.800 . 4.300 3.297 1.995 4.826 0.526 16 4 "[ . 1 -.+ **]" 1
643 1 47 TYR QD 1 59 PRO HD2 6.800 . 7.300 5.313 4.012 7.264 . 0 0 "[ . 1 . 2]" 1
644 1 47 TYR QD 1 60 LEU H 4.100 . 4.600 4.999 3.725 6.128 1.528 3 9 "[ + * * 1* -*.* **]" 1
645 1 47 TYR QD 1 77 VAL HB 5.500 . 6.000 4.344 2.948 5.962 . 0 0 "[ . 1 . 2]" 1
646 1 48 LEU H 1 48 LEU HA 3.000 . 3.500 2.936 2.909 2.947 . 0 0 "[ . 1 . 2]" 1
647 1 48 LEU H 1 48 LEU HB2 2.500 . 3.000 2.899 2.338 3.793 0.793 18 3 "[ . 1 -* + 2]" 1
648 1 48 LEU H 1 48 LEU HB3 2.600 . 3.100 2.739 2.429 3.034 . 0 0 "[ . 1 . 2]" 1
649 1 48 LEU H 1 48 LEU QD 3.200 . 3.700 3.585 1.899 3.892 0.192 4 0 "[ . 1 . 2]" 1
650 1 48 LEU H 1 49 LEU H 4.500 . 4.900 4.406 4.141 4.556 . 0 0 "[ . 1 . 2]" 1
651 1 48 LEU H 1 49 LEU HG 2.900 . 3.400 5.656 4.912 6.117 2.717 12 20 [*********-*+********] 1
652 1 48 LEU H 1 50 LEU H 6.800 . 7.300 6.544 6.105 6.983 . 0 0 "[ . 1 . 2]" 1
653 1 48 LEU H 1 57 GLU QG 3.900 . 4.400 4.513 3.654 5.191 0.791 3 3 "[ + . 1 * . -]" 1
654 1 48 LEU H 1 58 GLN H 3.700 . 3.800 2.718 2.020 3.316 . 0 0 "[ . 1 . 2]" 1
655 1 48 LEU H 1 59 PRO HA 3.800 . 4.300 4.251 3.573 4.701 0.401 5 0 "[ . 1 . 2]" 1
656 1 48 LEU H 1 60 LEU H 4.300 . 4.800 5.158 4.645 5.722 0.922 7 6 "[- * + ** . * 2]" 1
657 1 48 LEU H 1 60 LEU QB 4.700 . 5.200 4.387 3.890 5.000 . 0 0 "[ . 1 . 2]" 1
658 1 48 LEU H 1 60 LEU QD 3.400 . 3.900 2.888 1.880 4.659 0.759 14 1 "[ . 1 +. 2]" 1
659 1 48 LEU H 1 74 LEU HA 7.200 . 7.700 5.081 4.737 5.308 . 0 0 "[ . 1 . 2]" 1
660 1 48 LEU HA 1 48 LEU QD 3.700 . 4.200 2.903 1.968 3.429 . 0 0 "[ . 1 . 2]" 1
661 1 48 LEU HA 1 49 LEU H 2.200 . 2.700 2.164 2.141 2.235 . 0 0 "[ . 1 . 2]" 1
662 1 48 LEU HA 1 58 GLN H 3.800 . 4.300 4.683 4.251 4.839 0.539 12 8 "[ *- .* 1*+**. *2]" 1
663 1 48 LEU HA 1 74 LEU HA 3.600 . 3.800 2.557 2.210 3.102 . 0 0 "[ . 1 . 2]" 1
664 1 48 LEU HA 1 74 LEU QD 3.100 . 3.200 2.935 1.975 3.713 0.513 6 2 "[ - .+ 1 . 2]" 1
665 1 48 LEU HA 1 75 LYS H 3.700 . 4.200 3.727 3.358 4.179 . 0 0 "[ . 1 . 2]" 1
666 1 48 LEU HB2 1 48 LEU QD 2.500 . 3.000 2.022 1.926 2.304 . 0 0 "[ . 1 . 2]" 1
667 1 48 LEU HB2 1 49 LEU H 3.800 . 4.300 4.123 2.897 4.456 0.156 12 0 "[ . 1 . 2]" 1
668 1 48 LEU QD 1 49 LEU H 2.400 . 2.900 2.987 1.977 3.916 1.016 14 7 "[ - .* 1 *+* ** 2]" 1
669 1 48 LEU QD 1 60 LEU QB 2.500 . 3.000 3.942 2.004 4.511 1.511 19 17 "[************* .-* +*]" 1
670 1 48 LEU QD 1 72 LYS HA 4.700 . 5.200 4.634 3.535 5.569 0.369 14 0 "[ . 1 . 2]" 1
671 1 48 LEU QD 1 72 LYS HD2 6.400 . 6.900 2.745 1.876 4.487 . 0 0 "[ . 1 . 2]" 1
672 1 48 LEU QD 1 73 LYS H 3.200 . 3.700 3.838 2.661 5.165 1.465 15 6 "[ * .* - *+ * 2]" 1
673 1 48 LEU QD 1 74 LEU QD 3.000 . 3.500 2.286 1.793 3.038 0.007 7 0 "[ . 1 . 2]" 1
674 1 48 LEU HG 1 49 LEU H 2.400 . 2.900 3.316 2.184 4.842 1.942 15 5 "[ - 1 * *+ * 2]" 1
675 1 48 LEU HG 1 74 LEU QD 2.400 . 2.900 3.190 1.971 4.286 1.386 14 9 "[ * .*- * +* ** *]" 1
676 1 49 LEU H 1 49 LEU HB2 2.600 . 3.100 2.292 2.137 2.556 . 0 0 "[ . 1 . 2]" 1
677 1 49 LEU H 1 49 LEU QD 2.600 . 3.100 2.986 1.924 3.614 0.514 6 5 "[ * .+ 1* . - *]" 1
678 1 49 LEU H 1 56 ALA H 6.000 . 6.500 7.899 7.626 8.033 1.533 15 20 [***********-**+*****] 1
679 1 49 LEU H 1 57 GLU H 3.300 . 3.800 5.470 4.362 6.563 2.763 20 20 [****-**************+] 1
680 1 49 LEU H 1 73 LYS HA 6.300 . 6.800 5.982 5.307 6.316 . 0 0 "[ . 1 . 2]" 1
681 1 49 LEU H 1 74 LEU H 3.500 . 4.000 5.547 4.988 5.642 1.642 20 20 [******-************+] 1
682 1 49 LEU H 1 74 LEU HA 2.900 . 3.400 3.316 2.794 3.732 0.332 5 0 "[ . 1 . 2]" 1
683 1 49 LEU HA 1 49 LEU QD 4.000 . 4.500 2.790 2.267 3.115 . 0 0 "[ . 1 . 2]" 1
684 1 49 LEU HA 1 50 LEU H 2.100 . 2.400 2.171 2.140 2.189 . 0 0 "[ . 1 . 2]" 1
685 1 49 LEU HA 1 57 GLU HA 3.600 . 4.100 2.908 2.327 4.234 0.134 7 0 "[ . 1 . 2]" 1
686 1 49 LEU HB3 1 50 LEU MD1 3.800 . 4.300 4.628 2.198 4.831 0.531 20 8 "[* .* -* *.* *+]" 1
687 1 49 LEU QD 1 56 ALA HA 3.800 . 4.300 3.926 2.573 5.310 1.010 15 2 "[ . - 1 + 2]" 1
688 1 49 LEU QD 1 57 GLU HA 4.200 . 4.700 3.445 2.071 4.526 . 0 0 "[ . 1 . 2]" 1
689 1 49 LEU QD 1 57 GLU QG 5.500 . 5.500 3.553 2.274 5.297 . 0 0 "[ . 1 . 2]" 1
690 1 49 LEU QD 1 75 LYS QE 4.000 . 4.500 2.712 1.799 4.809 0.309 17 0 "[ . 1 . 2]" 1
691 1 49 LEU QD 1 75 LYS QG 2.900 . 3.400 3.631 2.372 4.375 0.975 1 8 "[+- *. **** . * 2]" 1
692 1 49 LEU QD 1 78 PRO QG 4.700 . 5.200 10.005 8.975 11.221 6.021 18 20 [************-****+**] 1
693 1 49 LEU HG 1 56 ALA MB 2.500 . 3.000 4.217 2.371 4.718 1.718 16 17 "[****.* **-*****+ ***]" 1
694 1 49 LEU HG 1 57 GLU QB 2.900 . 3.400 2.926 1.987 4.476 1.076 7 3 "[ . + -1 . * 2]" 1
695 1 50 LEU H 1 50 LEU HA 2.300 . 2.800 2.905 2.273 2.947 0.147 7 0 "[ . 1 . 2]" 1
696 1 50 LEU H 1 50 LEU QB 2.500 . 3.000 2.582 2.353 3.324 0.324 12 0 "[ . 1 . 2]" 1
697 1 50 LEU H 1 50 LEU QD 2.500 . 3.000 2.688 2.017 3.639 0.639 18 2 "[ . -1 . + 2]" 1
698 1 50 LEU H 1 51 SER H . . 3.500 3.621 1.880 4.511 1.011 6 12 "[ * *+ **1 * *.**-**]" 1
699 1 50 LEU H 1 51 SER QB 4.500 . 5.000 4.998 4.198 5.538 0.538 20 4 "[ . - 1 .** +]" 1
700 1 50 LEU HA 1 50 LEU MD1 4.500 . 5.000 2.944 1.990 3.612 . 0 0 "[ . 1 . 2]" 1
701 1 50 LEU HA 1 50 LEU QD 2.600 . 2.900 2.739 1.967 3.141 0.241 19 0 "[ . 1 . 2]" 1
702 1 50 LEU HA 1 51 SER H 2.100 . 2.600 2.937 2.178 3.565 0.965 10 8 "[** *. - +* * * 2]" 1
703 1 50 LEU HA 1 51 SER QB 2.100 . 2.600 4.075 3.840 4.253 1.653 5 20 [****+*************-*] 1
704 1 50 LEU QB 1 51 SER H 2.800 . 3.300 2.238 1.914 3.295 . 0 0 "[ . 1 . 2]" 1
705 1 50 LEU QB 1 51 SER HA 2.100 . 2.600 4.128 3.780 4.497 1.897 7 20 [**-***+*************] 1
706 1 50 LEU QB 1 56 ALA H 3.400 . 3.900 4.059 2.856 5.317 1.417 15 8 "[ *** 1 ** + *- 2]" 1
707 1 50 LEU QB 1 56 ALA HA 6.400 . 6.900 3.804 2.641 5.011 . 0 0 "[ . 1 . 2]" 1
708 1 50 LEU QD 1 51 SER H 3.700 . 4.200 3.465 3.068 4.131 . 0 0 "[ . 1 . 2]" 1
709 1 50 LEU QD 1 57 GLU H 4.300 . 4.800 4.013 2.563 5.309 0.509 20 1 "[ . 1 . +]" 1
710 1 50 LEU QD 1 58 GLN H 3.300 . 3.800 4.314 2.917 5.600 1.800 12 9 "[- * . ***1 +* . * *]" 1
711 1 51 SER H 1 51 SER QB 2.600 . 3.100 2.896 2.308 3.209 0.109 9 0 "[ . 1 . 2]" 1
712 1 51 SER H 1 51 SER HG 3.700 . 4.200 4.049 2.174 4.700 0.500 6 1 "[ .+ 1 . 2]" 1
713 1 51 SER H 1 56 ALA MB 4.200 . 4.700 4.624 2.039 6.207 1.507 18 7 "[ * * * 1 - *. +*2]" 1
714 1 51 SER HA 1 52 GLY H 2.800 . 3.300 2.844 2.149 3.573 0.273 2 0 "[ . 1 . 2]" 1
715 1 51 SER QB 1 56 ALA MB 4.700 . 5.200 5.052 3.734 6.685 1.485 12 3 "[ . - 1 +* . 2]" 1
716 1 51 SER HG 1 52 GLY H 3.900 . 4.400 3.386 1.949 4.825 0.425 18 0 "[ . 1 . 2]" 1
717 1 51 SER HG 1 53 ASP H 3.500 . 4.000 5.022 2.917 5.620 1.620 20 16 "[*** .****1* -******+]" 1
718 1 52 GLY H 1 52 GLY HA2 3.000 . 3.500 2.717 2.295 2.957 . 0 0 "[ . 1 . 2]" 1
719 1 52 GLY H 1 52 GLY HA3 2.600 . 3.100 2.707 2.313 2.955 . 0 0 "[ . 1 . 2]" 1
720 1 52 GLY QA 1 53 ASP H 2.500 . 3.000 2.629 2.181 2.895 . 0 0 "[ . 1 . 2]" 1
721 1 52 GLY HA3 1 53 ASP HA 6.400 . 6.900 4.634 4.387 5.354 . 0 0 "[ . 1 . 2]" 1
722 1 53 ASP H 1 53 ASP HB2 3.200 . 3.700 2.951 2.249 3.996 0.296 12 0 "[ . 1 . 2]" 1
723 1 53 ASP H 1 53 ASP HB3 2.800 . 3.300 3.376 2.589 3.787 0.487 18 0 "[ . 1 . 2]" 1
724 1 53 ASP H 1 54 ASP HA 2.900 . 3.400 4.641 4.176 5.201 1.801 19 20 [*****-************+*] 1
725 1 53 ASP H 1 56 ALA H 3.100 . 3.600 4.202 3.158 5.228 1.628 12 9 "[ * **- 1 + *. ***2]" 1
726 1 54 ASP H 1 54 ASP HA 2.200 . 2.700 2.924 2.866 2.944 0.244 7 0 "[ . 1 . 2]" 1
727 1 54 ASP H 1 54 ASP QB 2.400 . 2.900 2.367 2.116 2.748 . 0 0 "[ . 1 . 2]" 1
728 1 54 ASP H 1 55 GLY H 2.600 . 3.100 2.398 2.053 2.613 . 0 0 "[ . 1 . 2]" 1
729 1 54 ASP H 1 55 GLY QA 3.700 . 4.200 4.303 4.070 4.478 0.278 10 0 "[ . 1 . 2]" 1
730 1 54 ASP HA 1 54 ASP QB 2.300 . 2.800 2.433 2.180 2.539 . 0 0 "[ . 1 . 2]" 1
731 1 54 ASP HA 1 55 GLY H 2.200 . 2.700 3.200 3.091 3.329 0.629 14 9 "[ * * * * - +. ***2]" 1
732 1 54 ASP QB 1 55 GLY H 3.000 . 3.500 3.505 3.276 3.821 0.321 12 0 "[ . 1 . 2]" 1
733 1 54 ASP QB 1 55 GLY QA 5.000 . 5.500 4.190 4.072 4.511 . 0 0 "[ . 1 . 2]" 1
734 1 54 ASP QB 1 56 ALA H 4.200 . 4.600 3.231 2.663 4.214 . 0 0 "[ . 1 . 2]" 1
735 1 55 GLY H 1 55 GLY QA 2.200 . 2.700 2.261 2.222 2.291 . 0 0 "[ . 1 . 2]" 1
736 1 55 GLY H 1 56 ALA H 2.800 . 3.300 2.362 2.174 2.521 . 0 0 "[ . 1 . 2]" 1
737 1 55 GLY H 1 56 ALA HA 5.000 . 5.500 4.610 4.414 4.884 . 0 0 "[ . 1 . 2]" 1
738 1 55 GLY H 1 56 ALA MB 5.000 . 5.500 4.271 3.831 4.507 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLY QA 1 56 ALA H 2.200 . 2.700 2.907 2.890 2.920 0.220 10 0 "[ . 1 . 2]" 1
740 1 56 ALA H 1 56 ALA HA 2.300 . 2.800 2.307 2.275 2.877 0.077 6 0 "[ . 1 . 2]" 1
741 1 56 ALA H 1 56 ALA MB 2.600 . 3.100 2.840 2.069 2.934 . 0 0 "[ . 1 . 2]" 1
742 1 56 ALA H 1 57 GLU H 2.800 . 3.200 3.490 2.430 4.632 1.432 5 8 "[ - + **** ** 2]" 1
743 1 56 ALA H 1 58 GLN H 6.000 . 6.500 6.008 5.410 7.185 0.685 7 2 "[ . + 1 - 2]" 1
744 1 56 ALA HA 1 56 ALA MB 2.100 . 2.600 2.112 2.083 2.128 . 0 0 "[ . 1 . 2]" 1
745 1 56 ALA HA 1 57 GLU H 2.200 . 2.700 2.581 2.142 3.567 0.867 15 2 "[ .- 1 + 2]" 1
746 1 56 ALA MB 1 57 GLU H 2.500 . 3.000 3.162 1.922 3.591 0.591 17 5 "[ * . 1 *. + *-]" 1
747 1 57 GLU H 1 57 GLU HA 3.000 . 3.500 2.481 2.274 2.806 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLU H 1 57 GLU QB 2.200 . 2.700 2.912 2.174 2.971 0.271 12 0 "[ . 1 . 2]" 1
749 1 57 GLU H 1 57 GLU QG 2.500 . 3.000 4.193 3.856 4.302 1.302 2 20 [*+***-**************] 1
750 1 57 GLU H 1 58 GLN H 3.300 . 3.800 3.439 3.146 4.396 0.596 6 1 "[ .+ 1 . 2]" 1
751 1 57 GLU HA 1 57 GLU QB 2.500 . 3.000 2.356 2.288 2.488 . 0 0 "[ . 1 . 2]" 1
752 1 57 GLU HA 1 58 GLN H 2.300 . 2.800 2.225 2.149 2.294 . 0 0 "[ . 1 . 2]" 1
753 1 57 GLU QB 1 58 GLN H 2.500 . 3.000 3.995 3.881 4.040 1.040 7 20 [*****-+*************] 1
754 1 57 GLU QG 1 58 GLN H 2.400 . 2.900 3.403 3.112 3.578 0.678 7 17 "[*-*** +****** *** **]" 1
755 1 58 GLN H 1 58 GLN HA 2.800 . 3.300 2.942 2.940 2.947 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLN H 1 58 GLN QE 3.700 . 4.200 4.794 3.777 5.771 1.571 15 14 "[ *****- * ***+ ***2]" 1
757 1 58 GLN H 1 58 GLN QG 3.200 . 3.700 3.229 1.986 4.131 0.431 15 0 "[ . 1 . 2]" 1
758 1 58 GLN H 1 59 PRO HA 6.400 . 6.900 5.126 4.978 5.238 . 0 0 "[ . 1 . 2]" 1
759 1 58 GLN H 1 59 PRO QD 4.200 . 4.700 4.323 4.210 4.363 . 0 0 "[ . 1 . 2]" 1
760 1 58 GLN H 1 60 LEU QD 6.800 . 7.300 4.656 3.987 6.500 . 0 0 "[ . 1 . 2]" 1
761 1 58 GLN HA 1 59 PRO HD2 2.800 . 3.300 2.355 2.106 2.469 . 0 0 "[ . 1 . 2]" 1
762 1 58 GLN HA 1 59 PRO HD3 2.800 . 3.300 2.296 2.251 2.327 . 0 0 "[ . 1 . 2]" 1
763 1 58 GLN QE 1 60 LEU H 4.400 . 4.900 5.947 4.838 6.576 1.676 6 17 "[* ***+** *-********2]" 1
764 1 59 PRO HA 1 60 LEU H 2.300 . 2.800 2.287 2.242 2.357 . 0 0 "[ . 1 . 2]" 1
765 1 59 PRO HA 1 61 SER H 4.800 . 5.300 6.377 6.240 6.484 1.184 11 20 [**********+********-] 1
766 1 59 PRO HB2 1 60 LEU H 2.600 . 3.100 2.929 2.730 3.071 . 0 0 "[ . 1 . 2]" 1
767 1 59 PRO HD2 1 60 LEU H 4.700 . 5.200 5.636 5.606 5.648 0.448 19 0 "[ . 1 . 2]" 1
768 1 59 PRO QG 1 60 LEU H 3.800 . 4.300 4.365 4.244 4.447 0.147 19 0 "[ . 1 . 2]" 1
769 1 60 LEU H 1 60 LEU HA 2.700 . 3.200 2.933 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
770 1 60 LEU H 1 60 LEU QB 2.300 . 2.800 2.692 2.446 3.201 0.401 4 0 "[ . 1 . 2]" 1
771 1 60 LEU H 1 60 LEU QD 2.800 . 3.300 3.325 2.278 3.860 0.560 5 7 "[ * + - ** *. * 2]" 1
772 1 60 LEU H 1 60 LEU HG 2.500 . 3.000 3.769 2.115 4.576 1.576 19 14 "[-** **** ** **. * +*]" 1
773 1 60 LEU H 1 61 SER H . . 4.200 4.404 4.298 4.496 0.296 14 0 "[ . 1 . 2]" 1
774 1 60 LEU H 1 61 SER HG 2.800 . 3.300 5.638 5.076 5.915 2.615 19 20 [********-*********+*] 1
775 1 60 LEU HA 1 61 SER H 2.200 . 2.700 2.281 2.184 2.418 . 0 0 "[ . 1 . 2]" 1
776 1 60 LEU QB 1 61 SER H 2.500 . 3.000 2.868 2.421 3.385 0.385 10 0 "[ . 1 . 2]" 1
777 1 60 LEU QB 1 62 LEU H 7.000 . 7.500 5.395 5.119 5.729 . 0 0 "[ . 1 . 2]" 1
778 1 60 LEU QD 1 61 SER H 2.600 . 3.100 3.168 1.939 4.095 0.995 12 5 "[ *. 1 + ** - 2]" 1
779 1 60 LEU HG 1 61 SER H 4.000 . 4.500 4.052 2.272 5.002 0.502 9 1 "[ . +1 . 2]" 1
780 1 61 SER H 1 61 SER QB 2.500 . 3.000 2.584 2.102 2.893 . 0 0 "[ . 1 . 2]" 1
781 1 61 SER H 1 62 LEU H 3.300 . 3.800 4.577 4.525 4.613 0.813 12 20 [*-*********+********] 1
782 1 61 SER H 1 62 LEU QB 4.700 . 5.200 6.269 6.140 6.317 1.117 10 20 [*********+*******-**] 1
783 1 61 SER H 1 62 LEU QD 4.200 . 4.700 5.726 4.951 5.983 1.283 10 18 "[*****-* *+****** ***]" 1
784 1 61 SER H 1 63 ASN H 6.000 . 6.500 5.087 4.751 5.284 . 0 0 "[ . 1 . 2]" 1
785 1 61 SER H 1 63 ASN HA 7.000 . 7.500 7.524 7.107 7.679 0.179 5 0 "[ . 1 . 2]" 1
786 1 61 SER H 1 63 ASN QD 6.800 . 7.300 6.687 5.200 7.791 0.491 12 0 "[ . 1 . 2]" 1
787 1 61 SER H 1 64 HIS H 4.200 . 4.700 5.024 4.619 5.205 0.505 6 2 "[ -.+ 1 . 2]" 1
788 1 61 SER H 1 64 HIS QB . . 3.900 3.645 3.146 3.926 0.026 18 0 "[ . 1 . 2]" 1
789 1 61 SER HA 1 62 LEU H 2.300 . 2.800 2.204 2.152 2.296 . 0 0 "[ . 1 . 2]" 1
790 1 61 SER HA 1 63 ASN H 3.300 . 3.800 3.709 3.588 3.846 0.046 10 0 "[ . 1 . 2]" 1
791 1 61 SER QB 1 62 LEU H 4.000 . 4.100 2.989 2.682 3.269 . 0 0 "[ . 1 . 2]" 1
792 1 61 SER QB 1 63 ASN H 3.200 . 3.700 2.545 2.234 2.699 . 0 0 "[ . 1 . 2]" 1
793 1 61 SER QB 1 64 HIS H 3.100 . 3.400 3.332 2.604 3.572 0.172 1 0 "[ . 1 . 2]" 1
794 1 62 LEU H 1 62 LEU HA 3.000 . 3.500 2.847 2.812 2.855 . 0 0 "[ . 1 . 2]" 1
795 1 62 LEU H 1 62 LEU QB 2.800 . 2.800 2.189 2.039 2.291 . 0 0 "[ . 1 . 2]" 1
796 1 62 LEU H 1 62 LEU QD 3.100 . 3.600 3.155 2.298 3.425 . 0 0 "[ . 1 . 2]" 1
797 1 62 LEU H 1 63 ASN H 2.700 2.100 3.100 2.529 2.493 2.629 . 0 0 "[ . 1 . 2]" 1
798 1 62 LEU H 1 63 ASN HA 6.000 . 6.500 5.137 5.114 5.207 . 0 0 "[ . 1 . 2]" 1
799 1 62 LEU H 1 64 HIS H 4.500 . 5.000 4.350 4.135 4.417 . 0 0 "[ . 1 . 2]" 1
800 1 62 LEU HA 1 62 LEU QD 2.500 . 3.000 2.162 1.970 2.350 . 0 0 "[ . 1 . 2]" 1
801 1 62 LEU HA 1 63 ASN H 2.900 . 3.400 3.390 3.382 3.430 0.030 20 0 "[ . 1 . 2]" 1
802 1 62 LEU HA 1 69 LEU QD 3.100 . 3.600 6.505 5.273 7.666 4.066 10 20 [*********+*******-**] 1
803 1 62 LEU QB 1 63 ASN H . . 3.400 3.118 3.005 3.167 . 0 0 "[ . 1 . 2]" 1
804 1 62 LEU MD1 1 62 LEU MD2 2.400 . 2.900 1.964 1.904 2.051 . 0 0 "[ . 1 . 2]" 1
805 1 62 LEU QD 1 63 ASN H 4.000 . 4.500 4.286 3.986 4.393 . 0 0 "[ . 1 . 2]" 1
806 1 62 LEU QD 1 63 ASN QD 4.400 . 4.900 4.268 3.942 4.737 . 0 0 "[ . 1 . 2]" 1
807 1 62 LEU QD 1 70 ILE MG 3.500 . 4.000 11.099 9.462 12.737 8.737 10 20 [*********+***-******] 1
808 1 63 ASN H 1 63 ASN HA 2.600 . 3.100 2.922 2.897 2.946 . 0 0 "[ . 1 . 2]" 1
809 1 63 ASN H 1 63 ASN HB2 2.500 . 3.000 2.908 2.232 3.628 0.628 10 8 "[* * * + *. * *-]" 1
810 1 63 ASN H 1 63 ASN HB3 2.500 . 3.000 3.353 2.959 3.651 0.651 8 9 "[ * *.- +*1** .* * 2]" 1
811 1 63 ASN H 1 64 HIS H 2.300 . 2.800 2.662 2.447 2.743 . 0 0 "[ . 1 . 2]" 1
812 1 63 ASN H 1 64 HIS QB 3.800 . 4.300 4.247 3.713 4.344 0.044 12 0 "[ . 1 . 2]" 1
813 1 63 ASN HA 1 64 HIS H 3.200 . 3.700 3.039 3.003 3.210 . 0 0 "[ . 1 . 2]" 1
814 1 63 ASN QB 1 64 HIS H 2.200 . 2.700 3.808 3.536 3.994 1.294 17 20 [*-**************+***] 1
815 1 63 ASN QD 1 64 HIS H 4.400 . 4.900 4.588 4.154 4.938 0.038 8 0 "[ . 1 . 2]" 1
816 1 64 HIS H 1 64 HIS HA 2.400 . 2.900 2.934 2.906 2.940 0.040 15 0 "[ . 1 . 2]" 1
817 1 64 HIS H 1 64 HIS QB 2.200 . 2.700 2.332 2.153 2.383 . 0 0 "[ . 1 . 2]" 1
818 1 64 HIS H 1 65 PRO QB 3.100 . 3.600 6.153 5.805 6.335 2.735 19 20 [*********-********+*] 1
819 1 64 HIS H 1 65 PRO QG 3.600 . 4.100 6.053 5.794 6.135 2.035 19 20 [*********-********+*] 1
820 1 64 HIS H 1 66 ALA H 4.300 . 4.800 6.477 6.418 6.570 1.770 19 20 [**************-***+*] 1
821 1 64 HIS H 1 66 ALA MB 4.600 . 5.100 7.002 6.873 7.206 2.106 1 20 [+***-***************] 1
822 1 64 HIS H 1 69 LEU QD 3.000 . 3.500 5.647 4.621 6.130 2.630 19 20 [*****************-+*] 1
823 1 64 HIS HA 1 65 PRO QG 2.800 . 3.300 3.835 3.768 3.892 0.592 19 18 "[ ********1**-*****+*]" 1
824 1 64 HIS HA 1 68 ARG QB 4.000 . 4.500 4.751 4.342 5.071 0.571 15 1 "[ . 1 + 2]" 1
825 1 64 HIS QB 1 65 PRO HA 4.500 . 5.000 4.671 4.614 5.201 0.201 19 0 "[ . 1 . 2]" 1
826 1 65 PRO HA 1 66 ALA H 2.300 . 2.800 2.160 2.156 2.165 . 0 0 "[ . 1 . 2]" 1
827 1 65 PRO HA 1 67 GLU H 3.700 . 4.200 3.820 3.763 3.852 . 0 0 "[ . 1 . 2]" 1
828 1 65 PRO QB 1 66 ALA H 2.900 . 3.400 3.262 3.231 3.291 . 0 0 "[ . 1 . 2]" 1
829 1 65 PRO QB 1 68 ARG QG 3.200 . 3.700 4.887 3.486 5.340 1.640 9 18 "[*** ****+**** ****-*]" 1
830 1 65 PRO QD 1 66 ALA H 5.500 . 6.000 4.982 4.976 4.988 . 0 0 "[ . 1 . 2]" 1
831 1 65 PRO QD 1 67 GLU H 6.500 . 7.000 5.509 5.375 5.597 . 0 0 "[ . 1 . 2]" 1
832 1 66 ALA H 1 66 ALA HA 2.500 . 3.000 2.774 2.758 2.803 . 0 0 "[ . 1 . 2]" 1
833 1 66 ALA H 1 66 ALA MB 2.600 . 3.100 2.080 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
834 1 66 ALA H 1 67 GLU H 2.700 . 3.100 2.738 2.658 2.780 . 0 0 "[ . 1 . 2]" 1
835 1 66 ALA H 1 67 GLU QB 5.500 . 6.000 4.613 4.445 4.900 . 0 0 "[ . 1 . 2]" 1
836 1 66 ALA H 1 68 ARG H 4.400 . 4.900 4.196 4.120 4.437 . 0 0 "[ . 1 . 2]" 1
837 1 66 ALA H 1 69 LEU QD 3.600 . 4.100 4.215 3.727 4.642 0.542 18 1 "[ . 1 . + 2]" 1
838 1 66 ALA H 1 70 ILE H 7.000 . 7.500 7.278 6.586 8.015 0.515 17 4 "[ * - 1 * . + 2]" 1
839 1 66 ALA HA 1 69 LEU H 3.000 . 3.500 3.628 3.211 3.852 0.352 7 0 "[ . 1 . 2]" 1
840 1 66 ALA MB 1 67 GLU H 2.700 . 3.200 2.815 2.712 2.884 . 0 0 "[ . 1 . 2]" 1
841 1 66 ALA MB 1 68 ARG H 4.500 . 5.000 4.262 4.192 4.561 . 0 0 "[ . 1 . 2]" 1
842 1 66 ALA MB 1 70 ILE MD 4.200 . 4.700 4.079 2.730 5.557 0.857 10 4 "[ - . + .** 2]" 1
843 1 67 GLU H 1 67 GLU HA 2.600 . 3.100 2.790 2.767 2.813 . 0 0 "[ . 1 . 2]" 1
844 1 67 GLU H 1 67 GLU QB 2.500 . 3.000 2.308 2.181 2.542 . 0 0 "[ . 1 . 2]" 1
845 1 67 GLU H 1 68 ARG H 2.700 . 3.100 2.682 2.629 2.784 . 0 0 "[ . 1 . 2]" 1
846 1 67 GLU H 1 69 LEU H 5.000 . 5.500 4.229 3.967 4.373 . 0 0 "[ . 1 . 2]" 1
847 1 67 GLU H 1 70 ILE H 6.700 . 7.200 5.438 4.814 6.096 . 0 0 "[ . 1 . 2]" 1
848 1 67 GLU H 1 70 ILE MD 4.600 . 5.100 4.682 3.889 5.418 0.318 6 0 "[ . 1 . 2]" 1
849 1 67 GLU HA 1 67 GLU HG2 4.200 . 4.700 3.438 2.238 4.181 . 0 0 "[ . 1 . 2]" 1
850 1 67 GLU HA 1 67 GLU HG3 4.200 . 4.700 3.224 2.499 3.880 . 0 0 "[ . 1 . 2]" 1
851 1 67 GLU HA 1 68 ARG H 2.900 . 3.400 3.428 3.382 3.530 0.130 18 0 "[ . 1 . 2]" 1
852 1 67 GLU HA 1 70 ILE H 3.700 . 4.200 3.478 2.849 4.105 . 0 0 "[ . 1 . 2]" 1
853 1 67 GLU HA 1 70 ILE HB 3.700 . 4.200 3.424 1.980 4.768 0.568 10 1 "[ . + . 2]" 1
854 1 67 GLU HA 1 70 ILE MD 3.400 . 3.900 2.840 1.961 3.815 . 0 0 "[ . 1 . 2]" 1
855 1 67 GLU QG 1 68 ARG H 2.500 . 3.000 3.404 2.082 4.566 1.566 10 12 "[ * **** +** *. *- *]" 1
856 1 68 ARG H 1 68 ARG QB 2.500 . 3.000 2.188 2.079 2.304 . 0 0 "[ . 1 . 2]" 1
857 1 68 ARG H 1 68 ARG HE 3.700 . 4.200 4.356 3.391 4.730 0.530 9 3 "[ * . +1 . -2]" 1
858 1 68 ARG H 1 69 LEU H 2.500 . 3.000 2.534 2.427 2.583 . 0 0 "[ . 1 . 2]" 1
859 1 68 ARG H 1 69 LEU QD 3.700 . 4.200 3.077 2.681 3.845 . 0 0 "[ . 1 . 2]" 1
860 1 68 ARG H 1 70 ILE H 3.700 . 4.200 4.373 3.789 4.991 0.791 12 6 "[ *- * * + . * 2]" 1
861 1 68 ARG HA 1 68 ARG QG 3.100 . 3.600 2.561 2.111 3.277 . 0 0 "[ . 1 . 2]" 1
862 1 68 ARG HA 1 69 LEU H 2.400 . 2.900 3.381 3.277 3.505 0.605 13 9 "[* *.- *1 + * ***]" 1
863 1 68 ARG QB 1 69 LEU H 4.200 . 4.700 3.166 2.813 3.580 . 0 0 "[ . 1 . 2]" 1
864 1 68 ARG HE 1 69 LEU H 4.400 . 4.900 5.122 3.887 5.467 0.567 7 3 "[ . +- 1 .* 2]" 1
865 1 69 LEU H 1 69 LEU QB 2.300 . 2.800 3.112 2.731 3.297 0.497 4 0 "[ . 1 . 2]" 1
866 1 69 LEU H 1 69 LEU QD 2.600 . 3.100 2.207 1.722 2.985 0.078 13 0 "[ . 1 . 2]" 1
867 1 69 LEU H 1 70 ILE H 2.300 . 2.800 2.439 1.899 2.930 0.130 15 0 "[ . 1 . 2]" 1
868 1 69 LEU H 1 70 ILE HA 4.600 . 5.100 4.140 3.959 4.426 . 0 0 "[ . 1 . 2]" 1
869 1 69 LEU H 1 72 LYS QG 4.300 . 4.800 5.330 4.810 6.077 1.277 11 10 "[ -*.* *1+ * ** * *]" 1
870 1 69 LEU HA 1 69 LEU QD 2.800 . 3.300 3.255 2.344 3.411 0.111 15 0 "[ . 1 . 2]" 1
871 1 69 LEU HA 1 70 ILE H 2.900 . 3.400 2.814 2.556 3.055 . 0 0 "[ . 1 . 2]" 1
872 1 69 LEU HA 1 72 LYS QG 4.200 . 4.700 3.179 2.659 3.797 . 0 0 "[ . 1 . 2]" 1
873 1 69 LEU HA 1 74 LEU QD 4.300 . 4.800 5.522 4.166 6.232 1.432 13 17 "[**-******* *+*.** **]" 1
874 1 69 LEU QD 1 70 ILE MD 3.700 . 4.200 5.110 4.257 5.638 1.438 14 14 "[* * **** * * +.***-*]" 1
875 1 69 LEU QD 1 72 LYS QD 6.000 . 6.500 3.489 2.466 5.395 . 0 0 "[ . 1 . 2]" 1
876 1 69 LEU QD 1 74 LEU QD 2.900 . 3.400 1.908 1.609 2.826 0.191 3 0 "[ . 1 . 2]" 1
877 1 70 ILE H 1 70 ILE HA 2.800 . 3.300 2.813 2.740 2.849 . 0 0 "[ . 1 . 2]" 1
878 1 70 ILE H 1 70 ILE HB 2.500 . 3.000 2.647 2.169 3.565 0.565 16 3 "[ . * 1 -.+ 2]" 1
879 1 70 ILE H 1 70 ILE MD 2.600 . 3.100 3.734 3.157 4.295 1.195 4 9 "[* +-* **1 * . **]" 1
880 1 70 ILE H 1 71 GLY H . . 4.900 4.578 4.525 4.629 . 0 0 "[ . 1 . 2]" 1
881 1 70 ILE H 1 72 LYS H 5.600 . 6.100 4.583 4.274 4.927 . 0 0 "[ . 1 . 2]" 1
882 1 70 ILE H 1 72 LYS QG 4.400 . 4.900 4.456 3.868 5.174 0.274 20 0 "[ . 1 . 2]" 1
883 1 70 ILE H 1 75 LYS H 6.000 . 6.500 13.078 12.265 13.531 7.031 17 20 [********-*******+***] 1
884 1 70 ILE HA 1 70 ILE MD 4.100 . 4.600 3.180 1.966 4.181 . 0 0 "[ . 1 . 2]" 1
885 1 70 ILE HA 1 70 ILE MG 3.100 . 3.600 2.702 2.168 3.200 . 0 0 "[ . 1 . 2]" 1
886 1 70 ILE HA 1 71 GLY H 2.200 . 2.700 2.182 2.150 2.244 . 0 0 "[ . 1 . 2]" 1
887 1 70 ILE HA 1 72 LYS H 3.100 . 3.600 3.334 3.209 3.439 . 0 0 "[ . 1 . 2]" 1
888 1 70 ILE HB 1 70 ILE MD . . 2.800 2.365 1.996 3.228 0.428 2 0 "[ . 1 . 2]" 1
889 1 70 ILE HB 1 71 GLY H 3.300 . 3.800 4.002 2.948 4.279 0.479 18 0 "[ . 1 . 2]" 1
890 1 70 ILE MD 1 70 ILE MG 2.400 . 2.900 2.470 1.975 3.255 0.355 1 0 "[ . 1 . 2]" 1
891 1 70 ILE MD 1 71 GLY H 3.000 . 3.500 4.070 2.282 5.145 1.645 12 9 "[ * * * * + *.** -2]" 1
892 1 70 ILE MG 1 71 GLY H 2.600 . 3.100 3.177 2.204 4.058 0.958 19 8 "[* *.* **1 - . +*]" 1
893 1 71 GLY H 1 71 GLY HA2 2.300 . 2.800 2.356 2.320 2.401 . 0 0 "[ . 1 . 2]" 1
894 1 71 GLY H 1 71 GLY HA3 2.300 . 2.800 2.916 2.885 2.943 0.143 13 0 "[ . 1 . 2]" 1
895 1 71 GLY H 1 72 LYS H 2.600 . 3.000 2.566 2.336 2.704 . 0 0 "[ . 1 . 2]" 1
896 1 71 GLY H 1 72 LYS QB 5.600 . 6.100 4.605 4.383 4.826 . 0 0 "[ . 1 . 2]" 1
897 1 71 GLY H 1 72 LYS QG 3.700 . 4.200 4.687 4.407 4.745 0.545 3 15 "[-*+**** 1** **** **]" 1
898 1 71 GLY HA2 1 72 LYS H 2.700 . 3.200 3.357 3.319 3.426 0.226 13 0 "[ . 1 . 2]" 1
899 1 71 GLY HA3 1 72 LYS H 2.900 . 3.400 3.181 3.086 3.231 . 0 0 "[ . 1 . 2]" 1
900 1 72 LYS H 1 72 LYS HA 2.600 . 3.100 2.900 2.865 2.940 . 0 0 "[ . 1 . 2]" 1
901 1 72 LYS H 1 72 LYS QB 2.400 . 2.900 2.389 2.305 2.533 . 0 0 "[ . 1 . 2]" 1
902 1 72 LYS H 1 72 LYS QD 2.900 . 3.400 4.089 3.616 4.432 1.032 19 15 "[*** .******* *** -+2]" 1
903 1 72 LYS H 1 72 LYS QE 6.000 . 6.500 4.514 2.747 5.164 . 0 0 "[ . 1 . 2]" 1
904 1 72 LYS H 1 72 LYS QG 2.400 . 2.900 2.574 2.192 2.833 . 0 0 "[ . 1 . 2]" 1
905 1 72 LYS H 1 73 LYS H 4.100 . 4.400 4.519 4.422 4.616 0.216 14 0 "[ . 1 . 2]" 1
906 1 72 LYS H 1 74 LEU QD 2.900 . 3.400 4.636 4.063 5.209 1.809 12 20 [***********+*-******] 1
907 1 72 LYS HA 1 72 LYS HD2 3.600 . 4.100 4.043 2.270 4.636 0.536 12 3 "[ . 1 + . -*2]" 1
908 1 72 LYS HA 1 72 LYS HE2 6.000 . 6.500 4.908 2.430 6.197 . 0 0 "[ . 1 . 2]" 1
909 1 72 LYS HA 1 72 LYS QG 3.600 . 4.100 2.498 2.241 3.079 . 0 0 "[ . 1 . 2]" 1
910 1 72 LYS HA 1 73 LYS H 2.500 . 3.000 2.477 2.199 2.739 . 0 0 "[ . 1 . 2]" 1
911 1 72 LYS HA 1 78 PRO QB 3.500 . 4.000 19.750 19.276 20.099 16.099 17 20 [******-*********+***] 1
912 1 72 LYS QB 1 73 LYS H 2.500 . 3.000 2.311 1.907 2.962 . 0 0 "[ . 1 . 2]" 1
913 1 72 LYS QG 1 73 LYS H 2.900 . 3.400 3.891 3.717 3.978 0.578 13 12 "[****** 1* + -** *]" 1
914 1 72 LYS QG 1 73 LYS QE 4.300 . 4.800 5.488 3.258 6.458 1.658 20 13 "[ *-*** *1*** ** *+]" 1
915 1 73 LYS H 1 73 LYS HA 2.600 . 3.100 2.936 2.920 2.949 . 0 0 "[ . 1 . 2]" 1
916 1 73 LYS H 1 73 LYS HB2 2.600 . 3.100 3.013 2.376 3.681 0.581 17 3 "[- . 1 .*+ 2]" 1
917 1 73 LYS H 1 73 LYS HB3 2.600 . 3.100 3.011 2.417 3.697 0.597 2 4 "[ + . *- *. 2]" 1
918 1 73 LYS H 1 73 LYS QG 3.000 . 3.500 3.531 1.996 4.222 0.722 13 11 "[ ***-* 1**+ * **]" 1
919 1 73 LYS H 1 74 LEU QD 3.300 . 3.800 4.239 3.531 4.337 0.537 1 15 "[+ ** ********.*-**2]" 1
920 1 73 LYS HA 1 74 LEU H 2.200 . 2.700 2.190 2.144 2.365 . 0 0 "[ . 1 . 2]" 1
921 1 73 LYS HA 1 74 LEU QD 4.100 . 4.600 3.552 2.778 4.390 . 0 0 "[ . 1 . 2]" 1
922 1 73 LYS QB 1 74 LEU H 3.400 . 3.900 3.363 2.577 3.725 . 0 0 "[ . 1 . 2]" 1
923 1 73 LYS QD 1 74 LEU H 2.700 . 3.200 4.111 2.167 5.054 1.854 8 16 "[*******+ *** **-* *]" 1
924 1 73 LYS QE 1 74 LEU HG 2.300 . 2.800 5.263 4.484 5.705 2.905 1 20 [+**********-********] 1
925 1 74 LEU H 1 74 LEU QB 2.700 . 3.200 2.717 2.489 3.181 . 0 0 "[ . 1 . 2]" 1
926 1 74 LEU H 1 74 LEU QD 2.600 . 3.100 2.912 2.197 3.581 0.481 9 0 "[ . 1 . 2]" 1
927 1 74 LEU H 1 75 LYS H 4.100 . 4.500 4.471 4.431 4.489 . 0 0 "[ . 1 . 2]" 1
928 1 74 LEU HA 1 74 LEU QD 2.800 . 3.100 2.881 2.136 3.256 0.156 6 0 "[ . 1 . 2]" 1
929 1 74 LEU HA 1 75 LYS H 2.300 . 2.800 2.395 2.390 2.404 . 0 0 "[ . 1 . 2]" 1
930 1 74 LEU QB 1 75 LYS H 2.500 . 3.000 2.420 2.387 2.511 . 0 0 "[ . 1 . 2]" 1
931 1 74 LEU QD 1 75 LYS H 2.600 . 3.100 3.571 2.980 4.031 0.931 15 10 "[*** .* *-* + * *]" 1
932 1 74 LEU QD 1 75 LYS HA 5.000 . 5.500 5.108 4.473 5.248 . 0 0 "[ . 1 . 2]" 1
933 1 74 LEU HG 1 75 LYS H 2.600 . 3.100 4.581 4.336 4.812 1.712 9 20 [********+****-******] 1
934 1 75 LYS H 1 75 LYS HA 2.900 . 3.400 2.941 2.927 2.947 . 0 0 "[ . 1 . 2]" 1
935 1 75 LYS H 1 75 LYS QE 4.400 . 4.900 5.195 4.487 5.422 0.522 19 6 "[* . - *** . +2]" 1
936 1 75 LYS H 1 75 LYS QG 4.300 . 4.800 3.861 2.131 4.220 . 0 0 "[ . 1 . 2]" 1
937 1 75 LYS H 1 76 VAL H 4.000 . 4.300 4.377 4.317 4.427 0.127 20 0 "[ . 1 . 2]" 1
938 1 75 LYS HA 1 76 VAL H 2.200 . 2.700 2.196 2.161 2.217 . 0 0 "[ . 1 . 2]" 1
939 1 75 LYS HA 1 76 VAL HB 4.000 . 4.500 4.637 4.479 4.746 0.246 10 0 "[ . 1 . 2]" 1
940 1 75 LYS QB 1 76 VAL H 3.100 . 3.600 3.313 2.885 3.651 0.051 1 0 "[ . 1 . 2]" 1
941 1 75 LYS QE 1 76 VAL H 6.700 . 7.200 5.345 3.513 6.528 . 0 0 "[ . 1 . 2]" 1
942 1 75 LYS QG 1 76 VAL H 3.600 . 3.900 3.151 2.341 4.259 0.359 15 0 "[ . 1 . 2]" 1
943 1 76 VAL H 1 76 VAL HA 2.800 . 3.300 2.942 2.936 2.949 . 0 0 "[ . 1 . 2]" 1
944 1 76 VAL H 1 76 VAL HB 2.300 . 2.800 2.749 2.535 3.140 0.340 9 0 "[ . 1 . 2]" 1
945 1 76 VAL H 1 76 VAL QG 2.200 . 2.700 2.342 1.896 2.695 . 0 0 "[ . 1 . 2]" 1
946 1 76 VAL HA 1 76 VAL QG 2.800 . 3.300 2.160 2.053 2.341 . 0 0 "[ . 1 . 2]" 1
947 1 76 VAL HA 1 77 VAL H 2.200 . 2.700 2.144 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
948 1 76 VAL HB 1 77 VAL H 3.700 . 4.200 4.221 4.052 4.296 0.096 5 0 "[ . 1 . 2]" 1
949 1 76 VAL QG 1 77 VAL H 2.600 . 3.100 2.692 2.453 2.842 . 0 0 "[ . 1 . 2]" 1
950 1 77 VAL H 1 77 VAL HB 2.700 . 3.200 3.141 2.663 3.775 0.575 17 5 "[**- * 1 . + 2]" 1
951 1 77 VAL H 1 77 VAL QG 2.700 . 3.200 2.354 1.965 2.860 . 0 0 "[ . 1 . 2]" 1
952 1 77 VAL H 1 78 PRO QB 3.000 . 3.500 5.970 5.554 6.173 2.673 17 20 [******-*********+***] 1
953 1 77 VAL H 1 78 PRO QD 4.400 . 4.900 4.215 3.804 4.353 . 0 0 "[ . 1 . 2]" 1
954 1 77 VAL HA 1 77 VAL QG 2.900 . 3.400 2.208 2.066 2.338 . 0 0 "[ . 1 . 2]" 1
955 1 77 VAL HA 1 78 PRO QD 2.800 . 3.300 1.955 1.852 2.045 . 0 0 "[ . 1 . 2]" 1
956 1 78 PRO HA 1 79 LEU H 2.300 . 2.800 2.258 2.206 2.304 . 0 0 "[ . 1 . 2]" 1
957 1 78 PRO QB 1 79 LEU H 2.800 . 3.300 2.893 2.769 3.048 . 0 0 "[ . 1 . 2]" 1
958 1 78 PRO QD 1 79 LEU H 5.500 . 6.000 5.001 4.993 5.008 . 0 0 "[ . 1 . 2]" 1
959 1 78 PRO QG 1 79 LEU H 3.800 . 4.300 4.419 4.337 4.520 0.220 17 0 "[ . 1 . 2]" 1
960 1 78 PRO QG 1 79 LEU QD 4.100 . 4.600 4.995 4.717 5.285 0.685 3 8 "[**+*. * 1 - * *]" 1
961 1 79 LEU H 1 79 LEU QB 2.300 . 2.800 2.669 2.233 3.111 0.311 7 0 "[ . 1 . 2]" 1
962 1 79 LEU H 1 79 LEU QD 3.000 . 3.500 2.778 1.939 3.593 0.093 17 0 "[ . 1 . 2]" 1
963 1 79 LEU HA 1 79 LEU QD 2.800 . 3.300 2.703 1.838 3.397 0.097 7 0 "[ . 1 . 2]" 1
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