NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390050 |
1o1w   |
5347 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1o1w
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 1774
_Distance_constraint_stats_list.Viol_count 1826
_Distance_constraint_stats_list.Viol_total 9690.138
_Distance_constraint_stats_list.Viol_max 5.462
_Distance_constraint_stats_list.Viol_rms 0.4364
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1115
_Distance_constraint_stats_list.Viol_average_violations_only 0.7581
_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 2 ASN 26.287 4.868 7 7 [-*****+]
1 3 GLU 10.687 1.364 7 7 [*-****+]
1 4 LEU 8.260 1.364 7 7 [*-****+]
1 5 TYR 39.697 2.704 5 7 [****+-*]
1 6 GLN 69.666 3.206 7 7 [-*****+]
1 7 LEU 3.870 0.376 5 0 "[ . ]"
1 8 GLU 39.709 2.795 1 7 [+**-***]
1 9 LYS 10.718 1.129 7 6 "[-** **+]"
1 10 GLU 25.296 1.915 7 7 [-*****+]
1 11 PRO 25.567 2.994 7 7 [-*****+]
1 12 ILE 12.108 1.395 4 7 [***+*-*]
1 13 VAL 4.891 0.735 7 7 [****-*+]
1 14 GLY 11.221 2.994 7 7 [*****-+]
1 15 ALA 2.794 0.993 4 2 "[ +.- ]"
1 16 GLU 5.747 0.517 5 4 "[ -* +* ]"
1 17 THR 7.954 0.789 3 7 [**+*-**]
1 18 PHE 9.936 1.578 5 7 [**-*+**]
1 19 TYR 12.444 0.861 3 7 [**+*-**]
1 20 VAL 28.798 2.324 7 7 [**-***+]
1 21 ASP 22.597 1.899 6 7 [**-**+*]
1 22 GLY 2.494 0.271 6 0 "[ . ]"
1 23 ALA 0.493 0.271 5 0 "[ . ]"
1 24 ALA 4.930 0.831 6 7 [****-+*]
1 25 ASN 29.400 1.849 4 7 [*-*+***]
1 26 ARG 32.149 2.199 6 7 [*-***+*]
1 27 GLU 35.747 2.771 1 7 [+*-****]
1 28 THR 3.129 0.592 2 1 "[ + . ]"
1 29 LYS 67.755 2.759 2 7 [*+*****]
1 30 LEU 74.318 4.739 4 7 [*-*+***]
1 31 GLY 47.240 2.759 2 7 [*+*****]
1 32 LYS 70.856 4.739 4 7 [***+*-*]
1 33 ALA 34.972 3.984 7 7 [***-**+]
1 34 GLY 1.581 0.324 6 0 "[ . ]"
1 35 TYR 36.105 3.984 7 7 [****-*+]
1 36 VAL 5.096 0.813 6 2 "[ .+*]"
1 37 THR 0.910 0.192 2 0 "[ . ]"
1 38 ASN 8.806 1.106 7 7 [**-***+]
1 39 ARG 2.025 0.369 2 0 "[ . ]"
1 40 GLY 0.000 0.000 . 0 "[ . ]"
1 41 ARG 5.490 1.106 7 6 "[**- **+]"
1 42 GLN 7.228 1.367 1 7 [+*****-]
1 43 LYS 7.470 1.367 1 7 [+*****-]
1 44 VAL 2.756 0.282 5 0 "[ . ]"
1 45 VAL 19.813 2.115 3 7 [**+***-]
1 46 THR 57.145 2.759 2 7 [*+***-*]
1 47 LEU 50.962 2.493 2 7 [*+***-*]
1 48 THR 0.739 0.529 4 1 "[ +. ]"
1 49 ASP 0.241 0.149 1 0 "[ . ]"
1 50 THR 25.378 2.135 6 7 [-****+*]
1 51 THR 79.883 3.913 4 7 [***+*-*]
1 52 ASN 10.201 1.398 6 7 [***-*+*]
1 53 GLN 16.201 1.428 6 6 "[** **+-]"
1 54 LYS 48.659 1.367 1 7 [+*****-]
1 55 THR 17.597 1.542 1 7 [+******]
1 56 GLU 28.998 2.923 6 7 [*****+-]
1 57 LEU 74.702 5.462 4 7 [**-+***]
1 58 GLN 42.102 3.868 7 7 [*****-+]
1 59 ALA 3.740 0.649 3 2 "[ +-. ]"
1 60 ILE 19.264 1.054 2 7 [*+*****]
1 61 TYR 32.584 3.868 7 7 [*****-+]
1 62 LEU 0.960 0.145 4 0 "[ . ]"
1 63 ALA 11.978 1.578 5 7 [-***+**]
1 64 LEU 61.421 3.302 4 7 [***+*-*]
1 65 GLN 58.291 2.673 6 7 [*****+-]
1 66 ASP 5.833 0.836 6 3 "[- *+ ]"
1 67 SER 4.838 0.797 2 5 "[ +* **-]"
1 68 GLY 24.276 3.722 5 7 [****+**]
1 69 LEU 18.905 1.262 1 5 "[+ **.-*]"
1 70 GLU 25.064 1.367 1 7 [+*****-]
1 71 VAL 4.218 0.560 7 2 "[ .-+]"
1 72 ASN 4.058 1.139 4 1 "[ +. ]"
1 73 ILE 44.024 1.899 6 7 [*****+*]
1 74 VAL 39.491 3.119 6 7 [*****+-]
1 75 THR 27.552 1.949 7 7 [***-**+]
1 76 ASP 2.752 0.468 2 0 "[ . ]"
1 77 SER 12.241 1.243 5 7 [***-+**]
1 78 GLN 9.177 1.024 6 7 [-****+*]
1 79 TYR 33.469 4.204 4 7 [***+***]
1 80 ALA 12.211 1.025 1 7 [+***-**]
1 81 LEU 33.061 2.836 7 7 [*****-+]
1 82 GLY 22.174 3.749 5 7 [***-+**]
1 83 ILE 77.785 3.567 3 7 [**+-***]
1 84 ILE 99.627 2.836 7 7 [-*****+]
1 85 GLN 33.255 2.595 4 7 [***+*-*]
1 86 ALA 8.675 0.934 5 3 "[ -+* ]"
1 87 GLN 15.287 1.429 4 6 "[* *+*-*]"
1 88 PRO 12.536 1.374 4 7 [***+***]
1 89 ASP 32.623 4.868 7 7 [***-**+]
1 90 GLN 103.428 3.658 3 7 [**+**-*]
1 91 SER 163.319 5.462 4 7 [***+*-*]
1 92 GLU 20.396 1.367 1 7 [+-*****]
1 93 SER 11.271 0.882 1 7 [+******]
1 94 GLU 30.711 3.868 7 7 [******+]
1 95 LEU 63.116 3.913 4 7 [-**+***]
1 96 VAL 50.383 3.859 4 7 [***+*-*]
1 97 ASN 7.699 1.071 5 7 [****+-*]
1 98 GLN 20.554 1.359 7 7 [*****-+]
1 99 ILE 38.374 3.206 7 7 [-*****+]
1 100 ILE 50.108 3.658 3 7 [**+**-*]
1 101 GLU 62.979 3.325 7 7 [******+]
1 102 GLN 45.312 3.206 7 7 [****-*+]
1 103 LEU 27.554 2.270 2 7 [*+****-]
1 104 ILE 3.345 0.579 6 1 "[ .+ ]"
1 105 LYS 95.353 3.722 5 7 [**-*+**]
1 106 LYS 117.132 4.808 6 7 [**-**+*]
1 107 GLU 74.181 3.325 7 7 [***-**+]
1 108 LYS 39.358 1.947 6 7 [****-+*]
1 109 VAL 20.077 1.947 6 7 [*****+-]
1 110 TYR 29.672 4.808 6 7 [*****+-]
1 111 LEU 18.008 3.749 5 7 [***-+**]
1 112 ALA 0.002 0.002 4 0 "[ . ]"
1 113 TRP 7.654 1.508 7 6 "[-* ***+]"
1 114 VAL 0.002 0.002 1 0 "[ . ]"
1 118 LYS 0.000 0.000 . 0 "[ . ]"
1 119 GLY 0.000 0.000 . 0 "[ . ]"
1 120 ILE 9.732 1.699 7 4 "[ * *- +]"
1 121 GLY 0.846 0.433 3 0 "[ . ]"
1 122 GLY 0.000 0.000 . 0 "[ . ]"
1 123 ASN 8.557 1.699 7 4 "[ * *- +]"
1 133 GLY 0.102 0.102 6 0 "[ . ]"
1 134 ILE 0.102 0.102 6 0 "[ . ]"
1 135 ARG 0.048 0.048 6 0 "[ . ]"
1 136 LYS 5.637 0.650 2 4 "[ +**.- ]"
1 137 VAL 4.288 0.650 2 3 "[ +*-. ]"
1 138 LEU 0.013 0.006 7 0 "[ . ]"
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 12 ILE H 1 13 VAL H 4.000 . 6.000 4.572 4.540 4.612 . 0 0 "[ . ]" 1
2 1 12 ILE HA 1 13 VAL H 2.100 . 2.700 2.237 2.183 2.264 . 0 0 "[ . ]" 1
3 1 13 VAL H 1 13 VAL HA 2.800 . 3.800 2.753 2.706 2.923 . 0 0 "[ . ]" 1
4 1 13 VAL H 1 13 VAL HB 2.700 . 3.600 2.847 2.509 3.335 . 0 0 "[ . ]" 1
5 1 11 PRO QB 1 13 VAL H 3.400 . 4.800 5.499 5.470 5.535 0.735 7 7 [****-*+] 1
6 1 137 VAL H 1 138 LEU H 4.000 . 6.000 4.528 4.418 4.626 . 0 0 "[ . ]" 1
7 1 137 VAL QG 1 138 LEU H 4.300 . 6.000 2.552 1.996 3.256 0.004 6 0 "[ . ]" 1
8 1 137 VAL HA 1 138 LEU H 2.700 . 3.300 2.266 2.143 2.588 . 0 0 "[ . ]" 1
9 1 137 VAL HB 1 138 LEU H 3.800 . 5.600 3.487 1.994 4.049 0.006 7 0 "[ . ]" 1
10 1 138 LEU H 1 138 LEU QB 3.100 . 4.300 2.531 2.179 3.202 . 0 0 "[ . ]" 1
11 1 77 SER HA 1 78 GLN H 2.500 . 3.300 2.208 2.162 2.247 . 0 0 "[ . ]" 1
12 1 8 GLU H 1 110 TYR H 4.000 . 5.800 4.140 4.025 4.258 . 0 0 "[ . ]" 1
13 1 72 ASN HA 1 110 TYR H 2.700 . 3.600 2.092 1.840 2.283 . 0 0 "[ . ]" 1
14 1 109 VAL HA 1 110 TYR H 2.100 . 2.700 2.155 2.123 2.170 . 0 0 "[ . ]" 1
15 1 110 TYR QD 1 111 LEU H 3.800 . 5.400 3.673 3.500 4.130 . 0 0 "[ . ]" 1
16 1 110 TYR H 1 111 LEU H 4.100 . 6.000 4.286 4.267 4.322 . 0 0 "[ . ]" 1
17 1 111 LEU H 1 111 LEU HA 3.000 . 4.100 2.912 2.867 2.936 . 0 0 "[ . ]" 1
18 1 73 ILE MG 1 111 LEU H 3.600 . 5.200 3.464 3.226 3.599 . 0 0 "[ . ]" 1
19 1 111 LEU H 1 111 LEU HB2 2.700 . 3.600 2.352 2.186 2.605 . 0 0 "[ . ]" 1
20 1 110 TYR HA 1 111 LEU H 2.200 . 2.800 2.176 2.162 2.199 . 0 0 "[ . ]" 1
21 1 111 LEU H 1 111 LEU HB3 3.000 . 4.100 2.917 2.581 3.122 . 0 0 "[ . ]" 1
22 1 46 THR HA 1 47 LEU H 2.600 . 3.400 2.179 2.154 2.196 . 0 0 "[ . ]" 1
23 1 47 LEU H 1 47 LEU QB . . 4.000 2.293 2.092 2.352 . 0 0 "[ . ]" 1
24 1 46 THR MG 1 47 LEU H 2.700 . 3.600 2.279 2.086 2.336 . 0 0 "[ . ]" 1
25 1 47 LEU H 1 47 LEU QD 3.400 . 4.800 2.200 2.022 2.549 . 0 0 "[ . ]" 1
26 1 30 LEU HA 1 47 LEU H 4.100 . 6.000 3.289 3.176 3.479 . 0 0 "[ . ]" 1
27 1 18 PHE H 1 63 ALA MB 4.400 . 6.000 4.266 4.019 4.407 . 0 0 "[ . ]" 1
28 1 18 PHE H 1 18 PHE QB 3.000 . 4.000 2.532 2.492 2.652 . 0 0 "[ . ]" 1
29 1 17 THR MG 1 18 PHE H 3.600 . 5.200 4.153 4.057 4.223 . 0 0 "[ . ]" 1
30 1 18 PHE H 1 18 PHE QD 3.600 . 5.200 3.140 2.690 3.513 . 0 0 "[ . ]" 1
31 1 17 THR HA 1 18 PHE H 2.500 . 3.300 2.089 2.051 2.107 . 0 0 "[ . ]" 1
32 1 18 PHE H 1 73 ILE HA 3.200 . 4.500 3.836 3.487 4.066 . 0 0 "[ . ]" 1
33 1 18 PHE H 1 72 ASN HB3 3.500 . 5.100 3.693 3.329 4.025 . 0 0 "[ . ]" 1
34 1 64 LEU QB 1 74 VAL H 4.700 . 6.000 8.766 8.462 9.119 3.119 6 7 [*-***+*] 1
35 1 73 ILE HG13 1 74 VAL H 2.800 . 3.800 2.675 1.770 3.082 0.030 6 0 "[ . ]" 1
36 1 73 ILE HA 1 74 VAL H 2.300 . 3.000 2.085 2.067 2.128 . 0 0 "[ . ]" 1
37 1 16 GLU H 1 16 GLU HG3 2.900 . 3.900 4.130 3.601 4.417 0.517 5 2 "[ - + ]" 1
38 1 15 ALA HA 1 16 GLU H 2.300 . 3.000 2.362 2.335 2.388 . 0 0 "[ . ]" 1
39 1 16 GLU H 1 16 GLU HA 3.000 . 4.100 2.833 2.786 2.885 . 0 0 "[ . ]" 1
40 1 15 ALA MB 1 16 GLU H 2.700 . 3.600 2.511 2.408 2.625 . 0 0 "[ . ]" 1
41 1 111 LEU HA 1 112 ALA H 2.400 . 3.100 2.147 2.135 2.177 . 0 0 "[ . ]" 1
42 1 74 VAL HA 1 112 ALA H 3.000 . 4.100 2.701 2.385 2.978 . 0 0 "[ . ]" 1
43 1 112 ALA H 1 112 ALA MB 3.100 . 4.300 2.721 2.655 2.810 . 0 0 "[ . ]" 1
44 1 73 ILE MG 1 112 ALA H 3.500 . 5.000 2.611 1.998 3.187 0.002 4 0 "[ . ]" 1
45 1 22 GLY QA 1 23 ALA H 3.300 . 4.300 2.196 2.183 2.230 . 0 0 "[ . ]" 1
46 1 12 ILE H 1 72 ASN HD22 3.200 . 4.200 3.183 2.293 4.298 0.098 7 0 "[ . ]" 1
47 1 18 PHE HA 1 19 TYR H 2.400 . 2.800 2.223 2.095 2.323 . 0 0 "[ . ]" 1
48 1 19 TYR H 1 35 TYR QB 3.600 . 5.200 4.363 4.044 4.826 . 0 0 "[ . ]" 1
49 1 23 ALA H 1 23 ALA MB 3.400 . 4.800 2.417 2.293 2.490 . 0 0 "[ . ]" 1
50 1 12 ILE H 1 15 ALA MB 3.900 . 5.400 4.418 4.160 4.911 . 0 0 "[ . ]" 1
51 1 17 THR H 1 19 TYR H 4.200 . 6.000 6.611 6.503 6.789 0.789 3 7 [**+*-**] 1
52 1 19 TYR H 1 37 THR HA 3.400 . 4.400 3.270 2.734 3.891 . 0 0 "[ . ]" 1
53 1 18 PHE QB 1 19 TYR H 4.500 . 6.000 3.055 2.622 3.689 . 0 0 "[ . ]" 1
54 1 19 TYR H 1 20 VAL QG 3.800 . 5.600 3.975 3.749 4.111 . 0 0 "[ . ]" 1
55 1 5 TYR QR 1 7 LEU H 3.800 . 5.600 4.038 3.787 4.443 . 0 0 "[ . ]" 1
56 1 7 LEU H 1 7 LEU HA 2.900 . 3.600 2.835 2.799 2.888 . 0 0 "[ . ]" 1
57 1 6 GLN HA 1 7 LEU H 2.100 . 2.700 2.149 2.104 2.229 . 0 0 "[ . ]" 1
58 1 6 GLN QG 1 7 LEU H 4.200 . 6.000 4.174 3.883 4.855 . 0 0 "[ . ]" 1
59 1 6 GLN QB 1 7 LEU H 3.300 . 3.600 3.521 3.436 3.606 0.006 7 0 "[ . ]" 1
60 1 7 LEU H 1 7 LEU QB 2.400 . 3.100 2.076 2.032 2.136 . 0 0 "[ . ]" 1
61 1 7 LEU H 1 7 LEU MD2 3.200 . 4.500 4.309 4.157 4.458 . 0 0 "[ . ]" 1
62 1 7 LEU H 1 7 LEU MD1 3.900 . 5.800 3.637 2.613 4.188 . 0 0 "[ . ]" 1
63 1 21 ASP H 1 76 ASP H 4.000 . 6.000 5.892 5.742 6.089 0.089 3 0 "[ . ]" 1
64 1 75 THR HA 1 76 ASP H 2.500 . 3.100 2.209 2.188 2.266 . 0 0 "[ . ]" 1
65 1 33 ALA H 1 45 VAL H 3.100 . 4.300 2.005 1.870 2.102 0.030 4 0 "[ . ]" 1
66 1 44 VAL HA 1 45 VAL H 2.500 . 3.300 2.256 2.230 2.298 . 0 0 "[ . ]" 1
67 1 34 GLY QA 1 45 VAL H 4.200 . 6.000 3.631 3.525 3.722 . 0 0 "[ . ]" 1
68 1 45 VAL H 1 45 VAL HB 3.700 . 5.400 3.923 3.884 3.981 . 0 0 "[ . ]" 1
69 1 44 VAL MG2 1 45 VAL H 3.000 . 4.200 2.122 1.801 2.358 . 0 0 "[ . ]" 1
70 1 113 TRP HA 1 114 VAL H 2.500 . 3.300 2.234 2.140 2.316 . 0 0 "[ . ]" 1
71 1 113 TRP QB 1 114 VAL H 3.700 . 5.400 3.507 3.297 3.707 . 0 0 "[ . ]" 1
72 1 114 VAL H 1 114 VAL HB 3.300 . 4.600 2.770 2.552 3.233 . 0 0 "[ . ]" 1
73 1 135 ARG HA 1 136 LYS H 3.600 . 5.200 2.628 2.212 3.111 . 0 0 "[ . ]" 1
74 1 135 ARG HB3 1 136 LYS H 3.900 . 5.800 3.358 2.583 3.689 . 0 0 "[ . ]" 1
75 1 114 VAL H 1 114 VAL MG2 3.400 . 4.800 3.178 2.731 3.868 . 0 0 "[ . ]" 1
76 1 136 LYS HA 1 137 VAL H 2.600 . 3.400 2.373 2.142 3.131 . 0 0 "[ . ]" 1
77 1 44 VAL H 1 44 VAL HB 3.300 . 4.700 3.382 2.857 3.821 . 0 0 "[ . ]" 1
78 1 71 VAL HB 1 72 ASN H 3.200 . 4.500 2.241 2.024 2.433 . 0 0 "[ . ]" 1
79 1 44 VAL H 1 44 VAL QG 3.100 . 4.300 2.531 2.193 3.175 . 0 0 "[ . ]" 1
80 1 35 TYR H 1 43 LYS H 3.300 . 4.700 2.263 2.217 2.329 . 0 0 "[ . ]" 1
81 1 42 GLN HA 1 43 LYS H 2.500 . 3.300 2.154 2.140 2.170 . 0 0 "[ . ]" 1
82 1 42 GLN QB 1 43 LYS H 3.800 . 5.600 3.574 3.177 3.756 . 0 0 "[ . ]" 1
83 1 136 LYS H 1 137 VAL H 3.600 . 5.200 4.305 3.994 4.610 . 0 0 "[ . ]" 1
84 1 43 LYS HA 1 44 VAL H 2.700 . 3.600 2.459 2.425 2.503 . 0 0 "[ . ]" 1
85 1 137 VAL H 1 137 VAL HB 3.500 . 5.000 3.074 2.445 3.713 . 0 0 "[ . ]" 1
86 1 29 LYS QE 1 49 ASP H 3.400 . 4.800 3.808 3.569 3.957 . 0 0 "[ . ]" 1
87 1 49 ASP H 1 50 THR H 2.800 . 3.800 2.591 2.568 2.657 . 0 0 "[ . ]" 1
88 1 48 THR HA 1 49 ASP H 2.100 . 2.600 2.156 2.150 2.176 . 0 0 "[ . ]" 1
89 1 49 ASP H 1 49 ASP HA 2.100 . 2.600 2.273 2.269 2.276 . 0 0 "[ . ]" 1
90 1 49 ASP H 1 49 ASP HB2 2.800 . 3.800 3.276 3.097 3.743 . 0 0 "[ . ]" 1
91 1 16 GLU HG3 1 17 THR H 3.600 . 5.300 3.013 2.255 4.108 . 0 0 "[ . ]" 1
92 1 48 THR MG 1 49 ASP H 3.600 . 5.200 3.627 3.267 3.840 . 0 0 "[ . ]" 1
93 1 55 THR H 1 56 GLU H 3.300 . 4.600 2.436 2.388 2.479 . 0 0 "[ . ]" 1
94 1 56 GLU H 1 57 LEU H 3.000 . 4.200 2.278 2.230 2.340 . 0 0 "[ . ]" 1
95 1 4 LEU H 1 5 TYR H 2.500 . 3.300 1.872 1.676 2.143 0.024 2 0 "[ . ]" 1
96 1 3 GLU HA 1 4 LEU H 2.300 . 2.900 2.789 2.755 2.808 . 0 0 "[ . ]" 1
97 1 3 GLU HB2 1 4 LEU H 3.500 . 5.100 3.117 2.693 3.312 . 0 0 "[ . ]" 1
98 1 4 LEU H 1 4 LEU HB2 3.100 . 3.600 2.723 2.565 2.967 . 0 0 "[ . ]" 1
99 1 4 LEU H 1 4 LEU QD 3.600 . 5.200 3.725 3.420 3.945 . 0 0 "[ . ]" 1
100 1 55 THR HB 1 56 GLU H 3.200 . 4.500 3.751 3.531 3.886 . 0 0 "[ . ]" 1
101 1 56 GLU H 1 56 GLU QG 4.600 . 6.000 1.464 1.326 1.541 0.674 3 4 "[ +** -]" 1
102 1 3 GLU QG 1 4 LEU H 3.500 . 5.000 4.111 3.722 4.396 . 0 0 "[ . ]" 1
103 1 97 ASN H 1 99 ILE H 3.500 . 5.000 3.608 3.429 3.828 . 0 0 "[ . ]" 1
104 1 95 LEU HA 1 99 ILE H 3.300 . 4.700 3.385 3.341 3.454 . 0 0 "[ . ]" 1
105 1 17 THR H 1 38 ASN H 3.700 . 5.400 4.926 4.615 5.313 . 0 0 "[ . ]" 1
106 1 16 GLU HA 1 17 THR H 2.300 . 2.900 2.296 2.264 2.334 . 0 0 "[ . ]" 1
107 1 17 THR H 1 17 THR HB 3.000 . 4.100 3.689 3.561 3.768 . 0 0 "[ . ]" 1
108 1 17 THR H 1 17 THR MG 4.000 . 6.000 2.119 1.876 2.400 0.124 4 0 "[ . ]" 1
109 1 99 ILE H 1 100 ILE H 2.700 . 3.600 2.654 2.506 2.858 . 0 0 "[ . ]" 1
110 1 99 ILE H 1 99 ILE HA 2.900 . 3.900 2.830 2.793 2.856 . 0 0 "[ . ]" 1
111 1 96 VAL HA 1 99 ILE H 3.200 . 4.500 3.326 3.071 3.515 . 0 0 "[ . ]" 1
112 1 99 ILE H 1 99 ILE HB 2.300 . 3.000 2.354 2.244 2.464 . 0 0 "[ . ]" 1
113 1 64 LEU QD 1 99 ILE H 3.500 . 5.000 3.421 3.376 3.486 . 0 0 "[ . ]" 1
114 1 15 ALA H 1 72 ASN HD22 2.800 . 3.800 3.344 2.979 3.767 . 0 0 "[ . ]" 1
115 1 15 ALA H 1 15 ALA HA 2.900 . 4.000 2.916 2.813 2.943 . 0 0 "[ . ]" 1
116 1 14 GLY QA 1 15 ALA H 2.900 . 4.000 2.474 2.336 2.917 . 0 0 "[ . ]" 1
117 1 12 ILE HB 1 15 ALA H 3.300 . 4.600 2.643 2.347 2.820 . 0 0 "[ . ]" 1
118 1 53 GLN QE 1 80 ALA H 4.200 . 6.000 3.367 2.262 3.689 . 0 0 "[ . ]" 1
119 1 79 TYR HA 1 80 ALA H 3.200 . 4.500 3.571 3.557 3.589 . 0 0 "[ . ]" 1
120 1 80 ALA H 1 80 ALA HA 2.900 . 4.000 2.805 2.789 2.814 . 0 0 "[ . ]" 1
121 1 79 TYR HB2 1 80 ALA H 3.300 . 4.600 3.131 2.914 3.284 . 0 0 "[ . ]" 1
122 1 80 ALA H 1 80 ALA MB 2.400 . 3.100 2.166 2.054 2.249 . 0 0 "[ . ]" 1
123 1 79 TYR HB3 1 80 ALA H 3.400 . 4.800 2.620 2.539 2.844 . 0 0 "[ . ]" 1
124 1 8 GLU H 1 8 GLU HB2 2.600 . 3.500 2.505 2.326 2.779 . 0 0 "[ . ]" 1
125 1 8 GLU H 1 8 GLU QG 3.000 . 4.200 3.421 2.243 3.850 . 0 0 "[ . ]" 1
126 1 108 LYS HA 1 109 VAL H 1.900 . 2.400 2.249 2.116 2.356 . 0 0 "[ . ]" 1
127 1 20 VAL QG 1 21 ASP H 3.700 . 5.400 3.061 2.815 3.295 . 0 0 "[ . ]" 1
128 1 20 VAL HB 1 21 ASP H 3.600 . 5.200 3.639 3.518 3.875 . 0 0 "[ . ]" 1
129 1 25 ASN H 1 25 ASN QB 3.300 . 4.700 2.111 2.039 2.193 . 0 0 "[ . ]" 1
130 1 25 ASN H 1 25 ASN QB 3.300 . 4.700 2.111 2.039 2.193 . 0 0 "[ . ]" 1
131 1 24 ALA HA 1 25 ASN H 2.800 . 3.800 2.179 2.138 2.327 . 0 0 "[ . ]" 1
132 1 25 ASN H 1 32 LYS HG2 3.400 . 4.900 5.004 4.584 5.247 0.347 1 0 "[ . ]" 1
133 1 24 ALA MB 1 25 ASN H 3.400 . 4.900 3.071 2.600 3.199 . 0 0 "[ . ]" 1
134 1 33 ALA H 1 34 GLY HA2 3.600 . 5.200 3.531 3.326 3.727 . 0 0 "[ . ]" 1
135 1 90 GLN H 1 100 ILE H 2.900 . 4.000 2.653 2.506 2.856 . 0 0 "[ . ]" 1
136 1 100 ILE H 1 100 ILE HA 2.800 . 3.800 2.559 2.506 2.639 . 0 0 "[ . ]" 1
137 1 84 ILE HB 1 100 ILE H 3.000 . 4.100 3.594 3.505 3.763 . 0 0 "[ . ]" 1
138 1 33 ALA H 1 33 ALA MB 2.800 . 3.800 2.672 2.615 2.704 . 0 0 "[ . ]" 1
139 1 73 ILE MG 1 75 THR H 3.100 . 4.300 2.644 2.336 2.995 . 0 0 "[ . ]" 1
140 1 75 THR H 1 75 THR HA 3.000 . 3.800 2.948 2.940 2.956 . 0 0 "[ . ]" 1
141 1 74 VAL HA 1 75 THR H 2.200 . 2.700 2.159 2.135 2.183 . 0 0 "[ . ]" 1
142 1 75 THR H 1 75 THR MG 3.100 . 4.300 3.621 3.371 3.782 . 0 0 "[ . ]" 1
143 1 20 VAL QG 1 75 THR H 3.200 . 4.500 3.293 2.942 3.652 . 0 0 "[ . ]" 1
144 1 32 LYS QB 1 33 ALA H 2.600 . 3.500 2.032 1.957 2.084 . 0 0 "[ . ]" 1
145 1 96 VAL QG 1 100 ILE H 3.300 . 4.700 3.323 3.271 3.365 . 0 0 "[ . ]" 1
146 1 134 ILE HA 1 135 ARG H 3.600 . 4.900 2.665 2.490 3.047 . 0 0 "[ . ]" 1
147 1 134 ILE HB 1 135 ARG H 3.600 . 5.200 4.307 3.946 4.651 . 0 0 "[ . ]" 1
148 1 100 ILE H 1 101 GLU HA 3.500 . 5.000 3.279 3.247 3.305 . 0 0 "[ . ]" 1
149 1 103 LEU H 1 103 LEU HA 2.700 . 3.600 2.847 2.827 2.865 . 0 0 "[ . ]" 1
150 1 90 GLN QB 1 100 ILE H 3.500 . 5.000 8.325 8.103 8.658 3.658 3 7 [**+**-*] 1
151 1 32 LYS HG2 1 33 ALA H 2.700 . 3.600 2.537 2.415 2.631 . 0 0 "[ . ]" 1
152 1 33 ALA H 1 47 LEU QD 2.800 . 3.800 3.549 3.336 4.207 0.407 4 0 "[ . ]" 1
153 1 103 LEU H 1 103 LEU MD1 3.100 . 4.300 4.014 3.740 4.104 . 0 0 "[ . ]" 1
154 1 103 LEU H 1 103 LEU MD2 3.800 . 5.600 4.267 4.194 4.443 . 0 0 "[ . ]" 1
155 1 100 ILE H 1 101 GLU H 2.500 . 3.300 2.324 2.272 2.410 . 0 0 "[ . ]" 1
156 1 102 GLN H 1 103 LEU H 2.500 . 3.100 2.428 2.383 2.510 . 0 0 "[ . ]" 1
157 1 103 LEU H 1 105 LYS QG 3.400 . 4.800 4.281 4.019 4.530 . 0 0 "[ . ]" 1
158 1 134 ILE H 1 135 ARG H 3.800 . 4.800 3.225 2.616 3.587 . 0 0 "[ . ]" 1
159 1 99 ILE QG 1 100 ILE H 2.400 . 3.100 2.092 2.003 2.158 . 0 0 "[ . ]" 1
160 1 79 TYR H 1 79 TYR HB3 3.700 . 5.400 3.154 3.055 3.331 . 0 0 "[ . ]" 1
161 1 79 TYR H 1 79 TYR HB2 2.700 . 3.400 2.235 2.172 2.296 . 0 0 "[ . ]" 1
162 1 34 GLY QA 1 59 ALA H 4.300 . 6.000 5.860 5.445 6.044 0.044 6 0 "[ . ]" 1
163 1 20 VAL QG 1 59 ALA H 4.200 . 6.000 3.652 3.521 3.875 . 0 0 "[ . ]" 1
164 1 3 GLU H 1 3 GLU HA 3.000 . 4.100 2.834 2.742 2.944 . 0 0 "[ . ]" 1
165 1 2 ASN QB 1 3 GLU H 3.500 . 5.000 1.990 1.519 2.284 0.481 6 0 "[ . ]" 1
166 1 3 GLU H 1 3 GLU QG 3.500 . 4.900 3.884 3.563 4.296 . 0 0 "[ . ]" 1
167 1 3 GLU H 1 3 GLU HB3 3.300 . 4.600 3.184 3.012 3.477 . 0 0 "[ . ]" 1
168 1 3 GLU H 1 3 GLU HB2 3.400 . 4.800 2.410 2.077 3.092 . 0 0 "[ . ]" 1
169 1 112 ALA HA 1 113 TRP H 2.300 . 3.000 2.250 2.160 2.325 . 0 0 "[ . ]" 1
170 1 58 GLN H 1 59 ALA H 2.600 . 3.400 2.563 2.367 2.641 . 0 0 "[ . ]" 1
171 1 59 ALA H 1 60 ILE H 2.500 . 3.300 2.560 2.444 2.640 . 0 0 "[ . ]" 1
172 1 58 GLN HA 1 59 ALA H 2.500 . 3.300 2.705 2.686 2.719 . 0 0 "[ . ]" 1
173 1 58 GLN QG 1 59 ALA H 3.200 . 4.500 3.354 3.219 3.504 . 0 0 "[ . ]" 1
174 1 33 ALA MB 1 59 ALA H 2.400 . 3.100 2.859 2.732 3.048 . 0 0 "[ . ]" 1
175 1 47 LEU QD 1 59 ALA H 2.900 . 3.900 2.423 2.321 2.596 . 0 0 "[ . ]" 1
176 1 22 GLY H 1 59 ALA H 3.700 . 5.400 5.163 5.023 5.272 . 0 0 "[ . ]" 1
177 1 59 ALA H 1 61 TYR H 3.100 . 4.300 4.296 4.123 4.515 0.215 4 0 "[ . ]" 1
178 1 56 GLU QB 1 59 ALA H 3.600 . 5.200 3.840 3.762 3.906 . 0 0 "[ . ]" 1
179 1 57 LEU H 1 58 GLN H 2.600 . 3.500 2.521 2.420 2.590 . 0 0 "[ . ]" 1
180 1 57 LEU HA 1 58 GLN H 2.700 . 3.600 2.713 2.694 2.739 . 0 0 "[ . ]" 1
181 1 56 GLU HB2 1 58 GLN H 3.300 . 4.700 2.541 2.419 2.729 . 0 0 "[ . ]" 1
182 1 58 GLN H 1 58 GLN QG 3.700 . 4.700 3.990 3.916 4.032 . 0 0 "[ . ]" 1
183 1 47 LEU QD 1 58 GLN H 2.700 . 3.600 2.011 1.835 2.216 . 0 0 "[ . ]" 1
184 1 55 THR HA 1 58 GLN H 3.100 . 4.300 3.489 3.394 3.638 . 0 0 "[ . ]" 1
185 1 33 ALA MB 1 58 GLN H 4.000 . 6.000 4.069 3.873 4.291 . 0 0 "[ . ]" 1
186 1 112 ALA MB 1 113 TRP H 3.100 . 4.300 2.690 2.344 3.298 . 0 0 "[ . ]" 1
187 1 74 VAL MG1 1 113 TRP H 3.500 . 5.000 4.431 3.219 4.883 . 0 0 "[ . ]" 1
188 1 85 GLN QB 1 86 ALA H 3.000 . 4.200 2.777 2.518 2.961 . 0 0 "[ . ]" 1
189 1 86 ALA H 1 87 GLN H 2.500 . 3.300 3.426 3.005 3.969 0.669 6 1 "[ .+ ]" 1
190 1 86 ALA H 1 86 ALA HA 2.700 . 3.600 2.913 2.903 2.924 . 0 0 "[ . ]" 1
191 1 83 ILE HA 1 86 ALA H 3.800 . 5.600 2.831 2.715 3.042 . 0 0 "[ . ]" 1
192 1 86 ALA H 1 88 PRO QD 3.600 . 5.200 3.078 2.889 3.405 . 0 0 "[ . ]" 1
193 1 86 ALA H 1 87 GLN HE22 4.200 . 5.200 5.016 4.576 5.189 . 0 0 "[ . ]" 1
194 1 23 ALA MB 1 24 ALA H 3.500 . 5.000 3.300 3.280 3.341 . 0 0 "[ . ]" 1
195 1 23 ALA HA 1 24 ALA H 2.800 . 3.800 2.079 2.030 2.098 . 0 0 "[ . ]" 1
196 1 97 ASN HA 1 98 GLN H 3.200 . 4.500 3.544 3.525 3.559 . 0 0 "[ . ]" 1
197 1 120 ILE H 1 120 ILE HB 3.300 . 4.600 3.212 2.946 3.601 . 0 0 "[ . ]" 1
198 1 120 ILE H 1 120 ILE MD 4.200 . 6.000 2.716 2.293 3.580 . 0 0 "[ . ]" 1
199 1 61 TYR H 1 62 LEU H 3.300 . 4.100 2.718 2.638 2.796 . 0 0 "[ . ]" 1
200 1 97 ASN H 1 98 GLN H 2.600 . 3.300 2.654 2.569 2.775 . 0 0 "[ . ]" 1
201 1 57 LEU HA 1 61 TYR H 2.600 . 3.500 2.773 2.744 2.809 . 0 0 "[ . ]" 1
202 1 61 TYR H 1 61 TYR QB 2.800 . 3.800 2.002 1.937 2.061 . 0 0 "[ . ]" 1
203 1 98 GLN H 1 98 GLN QG 2.200 . 2.800 3.873 3.703 3.991 1.191 2 7 [*+****-] 1
204 1 60 ILE QG 1 61 TYR H 2.900 . 3.900 2.157 2.057 2.254 . 0 0 "[ . ]" 1
205 1 50 THR MG 1 95 LEU H 3.700 . 5.400 3.500 2.798 3.859 . 0 0 "[ . ]" 1
206 1 95 LEU H 1 96 VAL H 2.700 . 3.600 2.783 2.703 2.875 . 0 0 "[ . ]" 1
207 1 94 GLU HA 1 95 LEU H 2.500 . 3.300 2.687 2.670 2.705 . 0 0 "[ . ]" 1
208 1 94 GLU QG 1 95 LEU H 3.600 . 5.200 2.606 1.977 3.519 0.023 2 0 "[ . ]" 1
209 1 94 GLU QB 1 95 LEU H 3.200 . 4.500 3.206 2.779 3.578 . 0 0 "[ . ]" 1
210 1 95 LEU H 1 95 LEU QB 2.000 . 2.500 2.239 2.006 2.727 0.227 2 0 "[ . ]" 1
211 1 95 LEU H 1 95 LEU QB 3.000 . 4.100 2.011 1.827 2.124 0.073 2 0 "[ . ]" 1
212 1 95 LEU H 1 95 LEU MD2 3.800 . 5.600 2.659 2.075 3.006 . 0 0 "[ . ]" 1
213 1 5 TYR QD 1 6 GLN H 3.700 . 5.400 3.030 2.668 3.590 . 0 0 "[ . ]" 1
214 1 5 TYR HA 1 6 GLN H 2.100 . 2.700 2.535 2.307 2.648 . 0 0 "[ . ]" 1
215 1 5 TYR QB 1 6 GLN H 2.100 . 2.700 2.205 1.900 2.623 . 0 0 "[ . ]" 1
216 1 6 GLN H 1 6 GLN QG 4.000 . 6.000 2.851 1.848 3.384 0.152 2 0 "[ . ]" 1
217 1 6 GLN H 1 6 GLN QB 3.400 . 4.900 2.423 2.223 2.917 . 0 0 "[ . ]" 1
218 1 57 LEU QB 1 95 LEU H 3.200 . 4.500 2.917 2.721 3.543 . 0 0 "[ . ]" 1
219 1 71 VAL H 1 110 TYR H 3.500 . 5.100 4.179 4.010 4.413 . 0 0 "[ . ]" 1
220 1 71 VAL H 1 108 LYS H 3.600 . 4.900 3.668 3.510 3.972 . 0 0 "[ . ]" 1
221 1 70 GLU H 1 71 VAL H 4.100 . 5.400 4.348 4.271 4.491 . 0 0 "[ . ]" 1
222 1 70 GLU HA 1 71 VAL H 2.000 . 2.500 2.144 2.131 2.171 . 0 0 "[ . ]" 1
223 1 71 VAL H 1 108 LYS HA 2.800 . 3.800 2.734 2.524 2.846 . 0 0 "[ . ]" 1
224 1 71 VAL H 1 71 VAL HA 2.700 . 3.600 2.931 2.918 2.940 . 0 0 "[ . ]" 1
225 1 70 GLU QB 1 71 VAL H 3.000 . 4.100 3.140 3.050 3.404 . 0 0 "[ . ]" 1
226 1 69 LEU QB 1 71 VAL H 3.700 . 5.400 4.296 4.189 4.444 . 0 0 "[ . ]" 1
227 1 71 VAL H 1 108 LYS QB 4.500 . 6.000 4.656 4.337 4.922 . 0 0 "[ . ]" 1
228 1 8 GLU H 1 9 LYS H 3.200 . 4.400 2.740 2.445 2.991 . 0 0 "[ . ]" 1
229 1 9 LYS H 1 10 GLU H 2.500 . 3.100 3.022 2.668 3.897 0.797 7 1 "[ . +]" 1
230 1 9 LYS H 1 9 LYS HA 2.600 . 3.400 2.350 2.221 2.897 . 0 0 "[ . ]" 1
231 1 8 GLU QB 1 9 LYS H 3.000 . 4.100 2.435 1.710 3.983 0.290 1 0 "[ . ]" 1
232 1 9 LYS H 1 9 LYS QB 2.800 . 3.800 3.259 2.520 3.454 . 0 0 "[ . ]" 1
233 1 9 LYS H 1 9 LYS QB 3.000 . 4.100 2.836 2.261 3.240 . 0 0 "[ . ]" 1
234 1 89 ASP H 1 90 GLN H 3.200 . 4.400 2.788 2.667 3.023 . 0 0 "[ . ]" 1
235 1 87 GLN HA 1 89 ASP H 2.500 . 3.300 3.595 3.390 4.729 1.429 4 1 "[ +. ]" 1
236 1 89 ASP H 1 89 ASP HA 2.800 . 3.800 2.687 2.239 2.797 . 0 0 "[ . ]" 1
237 1 89 ASP H 1 89 ASP QB 3.200 . 4.500 2.711 2.163 2.946 . 0 0 "[ . ]" 1
238 1 88 PRO QB 1 89 ASP H 3.300 . 4.700 3.679 1.915 3.987 . 0 0 "[ . ]" 1
239 1 88 PRO QG 1 89 ASP H 3.200 . 4.100 3.562 2.049 3.864 . 0 0 "[ . ]" 1
240 1 8 GLU QG 1 71 VAL H 4.500 . 6.000 4.684 4.403 4.965 . 0 0 "[ . ]" 1
241 1 38 ASN H 1 38 ASN HB2 4.000 . 6.000 3.531 3.502 3.566 . 0 0 "[ . ]" 1
242 1 37 THR HB 1 38 ASN H 3.200 . 4.500 3.377 2.734 3.965 . 0 0 "[ . ]" 1
243 1 38 ASN H 1 39 ARG H 3.200 . 4.100 2.824 2.772 2.869 . 0 0 "[ . ]" 1
244 1 37 THR HA 1 38 ASN H 2.500 . 3.100 2.332 2.305 2.350 . 0 0 "[ . ]" 1
245 1 37 THR MG 1 38 ASN H 3.300 . 4.700 3.569 1.987 4.077 . 0 0 "[ . ]" 1
246 1 69 LEU HA 1 71 VAL H 3.900 . 5.800 6.036 6.005 6.063 0.263 3 0 "[ . ]" 1
247 1 120 ILE H 1 123 ASN H 3.900 . 5.800 3.807 2.857 5.161 . 0 0 "[ . ]" 1
248 1 31 GLY QA 1 32 LYS H 2.900 . 3.900 2.132 2.110 2.153 . 0 0 "[ . ]" 1
249 1 32 LYS H 1 55 THR MG 3.400 . 4.900 5.262 5.024 5.562 0.662 6 1 "[ .+ ]" 1
250 1 22 GLY QA 1 32 LYS H 3.500 . 5.000 5.035 4.889 5.249 0.249 4 0 "[ . ]" 1
251 1 29 LYS H 1 30 LEU H 2.800 . 3.300 3.075 2.578 3.299 . 0 0 "[ . ]" 1
252 1 25 ASN QB 1 30 LEU H 3.900 . 5.600 3.458 3.138 3.666 . 0 0 "[ . ]" 1
253 1 28 THR HB 1 30 LEU H 3.800 . 5.600 4.141 3.896 4.575 . 0 0 "[ . ]" 1
254 1 29 LYS HA 1 30 LEU H 3.200 . 4.500 2.472 2.321 2.869 . 0 0 "[ . ]" 1
255 1 30 LEU H 1 30 LEU QB 2.400 . 3.000 2.826 2.580 2.970 . 0 0 "[ . ]" 1
256 1 58 GLN QE 1 62 LEU H 4.500 . 6.000 3.660 3.472 3.866 . 0 0 "[ . ]" 1
257 1 58 GLN HA 1 62 LEU H 2.900 . 3.900 2.957 2.876 3.009 . 0 0 "[ . ]" 1
258 1 62 LEU H 1 62 LEU HA 2.800 . 3.800 2.822 2.800 2.848 . 0 0 "[ . ]" 1
259 1 62 LEU H 1 63 ALA HA 3.700 . 5.400 5.354 5.301 5.407 0.007 7 0 "[ . ]" 1
260 1 61 TYR QB 1 62 LEU H 2.700 . 3.600 2.879 2.686 3.089 . 0 0 "[ . ]" 1
261 1 62 LEU H 1 62 LEU HB3 2.900 . 4.000 2.055 1.831 2.947 . 0 0 "[ . ]" 1
262 1 62 LEU H 1 62 LEU HB2 2.300 . 2.900 2.617 1.954 2.811 . 0 0 "[ . ]" 1
263 1 62 LEU H 1 62 LEU QD 3.200 . 4.500 2.880 2.553 3.436 . 0 0 "[ . ]" 1
264 1 90 GLN H 1 90 GLN HA 2.700 . 3.600 2.804 2.737 2.822 . 0 0 "[ . ]" 1
265 1 89 ASP QB 1 90 GLN H 4.000 . 6.000 3.275 3.073 3.594 . 0 0 "[ . ]" 1
266 1 90 GLN H 1 90 GLN QB 3.000 . 4.100 3.245 3.214 3.269 . 0 0 "[ . ]" 1
267 1 39 ARG H 1 39 ARG HB3 2.900 . 4.000 3.108 3.074 3.119 . 0 0 "[ . ]" 1
268 1 39 ARG H 1 39 ARG HA 2.800 . 3.800 2.925 2.921 2.930 . 0 0 "[ . ]" 1
269 1 51 THR H 1 96 VAL H 4.000 . 6.000 4.555 4.458 4.633 . 0 0 "[ . ]" 1
270 1 96 VAL H 1 97 ASN H 2.400 . 3.100 2.752 2.721 2.781 . 0 0 "[ . ]" 1
271 1 94 GLU HA 1 96 VAL H 3.500 . 5.000 3.435 3.424 3.447 . 0 0 "[ . ]" 1
272 1 96 VAL H 1 96 VAL HA 2.800 . 3.800 2.752 2.748 2.757 . 0 0 "[ . ]" 1
273 1 57 LEU QB 1 96 VAL H 3.000 . 4.100 4.312 3.862 4.633 0.533 3 1 "[ + . ]" 1
274 1 95 LEU QB 1 96 VAL H 2.800 . 3.800 2.206 2.145 2.301 . 0 0 "[ . ]" 1
275 1 96 VAL H 1 96 VAL QG 3.100 . 4.300 1.763 1.565 1.932 0.435 7 0 "[ . ]" 1
276 1 46 THR H 1 46 THR HA 2.800 . 3.800 2.936 2.920 2.944 . 0 0 "[ . ]" 1
277 1 45 VAL HA 1 46 THR H 2.200 . 2.800 2.448 2.349 2.542 . 0 0 "[ . ]" 1
278 1 46 THR H 1 46 THR HB 2.900 . 4.000 3.755 3.707 3.803 . 0 0 "[ . ]" 1
279 1 46 THR H 1 46 THR MG 3.300 . 4.600 2.600 2.413 2.769 . 0 0 "[ . ]" 1
280 1 45 VAL QG 1 46 THR H 2.900 . 3.900 3.013 2.781 3.221 . 0 0 "[ . ]" 1
281 1 39 ARG H 1 40 GLY H 2.500 . 3.300 2.402 2.076 2.694 . 0 0 "[ . ]" 1
282 1 39 ARG H 1 41 ARG H 3.500 . 5.000 3.497 3.430 3.647 . 0 0 "[ . ]" 1
283 1 37 THR MG 1 39 ARG H 3.400 . 4.800 2.751 1.954 3.998 0.046 4 0 "[ . ]" 1
284 1 37 THR HB 1 39 ARG H 2.800 . 3.800 3.506 2.857 3.949 0.149 1 0 "[ . ]" 1
285 1 39 ARG H 1 39 ARG QG 2.800 . 3.700 2.078 2.020 2.170 . 0 0 "[ . ]" 1
286 1 93 SER QB 1 96 VAL H 3.700 . 5.500 2.810 2.293 3.458 . 0 0 "[ . ]" 1
287 1 84 ILE H 1 85 GLN H 3.200 . 4.400 2.853 2.818 2.911 . 0 0 "[ . ]" 1
288 1 69 LEU H 1 70 GLU H 2.700 . 3.300 3.042 2.865 3.341 0.041 5 0 "[ . ]" 1
289 1 68 GLY HA2 1 69 LEU H 2.500 . 3.300 3.463 3.365 3.561 0.261 5 0 "[ . ]" 1
290 1 69 LEU H 1 69 LEU HA 2.700 . 3.600 2.927 2.914 2.937 . 0 0 "[ . ]" 1
291 1 68 GLY HA3 1 69 LEU H 3.200 . 4.500 2.337 2.147 2.759 . 0 0 "[ . ]" 1
292 1 69 LEU H 1 69 LEU QB 2.300 . 2.900 2.623 2.125 2.889 . 0 0 "[ . ]" 1
293 1 69 LEU H 1 69 LEU QD 3.200 . 4.400 3.075 1.860 3.744 0.140 4 0 "[ . ]" 1
294 1 57 LEU H 1 57 LEU QB . . 3.300 2.109 2.066 2.174 . 0 0 "[ . ]" 1
295 1 75 THR HB 1 84 ILE H 4.400 . 6.000 7.756 7.483 7.949 1.949 7 7 [**-***+] 1
296 1 84 ILE H 1 91 SER QB 4.400 . 5.800 6.897 6.471 7.647 1.847 4 7 [***+*-*] 1
297 1 83 ILE HB 1 84 ILE H 2.000 . 2.500 2.232 2.075 2.550 0.050 7 0 "[ . ]" 1
298 1 83 ILE QG 1 84 ILE H 3.600 . 5.200 2.393 2.150 2.613 . 0 0 "[ . ]" 1
299 1 40 GLY HA3 1 41 ARG H 3.300 . 4.600 3.557 3.533 3.581 . 0 0 "[ . ]" 1
300 1 33 ALA MB 1 57 LEU H 4.200 . 6.000 4.274 4.172 4.382 . 0 0 "[ . ]" 1
301 1 55 THR HB 1 57 LEU H 3.000 . 4.100 2.841 2.830 2.850 . 0 0 "[ . ]" 1
302 1 57 LEU H 1 57 LEU MD2 3.200 . 4.500 3.316 2.721 3.704 . 0 0 "[ . ]" 1
303 1 47 LEU QD 1 57 LEU H 4.000 . 6.000 4.429 4.316 4.538 . 0 0 "[ . ]" 1
304 1 83 ILE H 1 84 ILE H 2.900 . 3.900 2.661 2.589 2.721 . 0 0 "[ . ]" 1
305 1 81 LEU HA 1 84 ILE H 3.600 . 5.200 2.649 2.263 3.112 . 0 0 "[ . ]" 1
306 1 62 LEU H 1 63 ALA H 3.200 . 4.500 2.777 2.699 2.844 . 0 0 "[ . ]" 1
307 1 60 ILE HB 1 63 ALA H 4.000 . 6.000 4.808 4.638 4.981 . 0 0 "[ . ]" 1
308 1 62 LEU HB2 1 63 ALA H 3.000 . 4.100 2.355 2.152 2.969 . 0 0 "[ . ]" 1
309 1 63 ALA H 1 64 LEU H 2.900 . 3.900 2.575 2.489 2.707 . 0 0 "[ . ]" 1
310 1 63 ALA H 1 66 ASP H 3.600 . 5.200 5.356 5.236 5.483 0.283 6 0 "[ . ]" 1
311 1 37 THR H 1 41 ARG H 3.300 . 4.600 2.361 2.055 2.767 . 0 0 "[ . ]" 1
312 1 65 GLN H 1 66 ASP H 2.600 . 3.300 2.776 2.582 2.974 . 0 0 "[ . ]" 1
313 1 62 LEU HA 1 65 GLN H 3.300 . 4.700 3.183 2.916 3.419 . 0 0 "[ . ]" 1
314 1 64 LEU HA 1 65 GLN H 3.300 . 4.700 3.441 3.391 3.504 . 0 0 "[ . ]" 1
315 1 65 GLN H 1 65 GLN QB 2.800 . 3.800 2.182 2.099 2.284 . 0 0 "[ . ]" 1
316 1 60 ILE MG 1 65 GLN H 3.400 . 4.800 3.783 3.713 3.840 . 0 0 "[ . ]" 1
317 1 64 LEU QD 1 65 GLN H 3.800 . 5.600 4.224 4.017 4.375 . 0 0 "[ . ]" 1
318 1 64 LEU H 1 65 GLN H 2.500 . 3.300 2.326 2.279 2.435 . 0 0 "[ . ]" 1
319 1 65 GLN H 1 65 GLN HA 2.600 . 3.500 2.811 2.753 2.865 . 0 0 "[ . ]" 1
320 1 64 LEU HB3 1 65 GLN H 2.500 . 3.300 2.725 2.502 2.963 . 0 0 "[ . ]" 1
321 1 10 GLU H 1 10 GLU HB3 3.000 . 4.100 2.087 2.056 2.115 . 0 0 "[ . ]" 1
322 1 83 ILE MG 1 84 ILE H 3.600 . 5.200 3.497 3.332 3.680 . 0 0 "[ . ]" 1
323 1 38 ASN QD 1 41 ARG H 4.000 . 6.000 5.529 5.468 5.564 . 0 0 "[ . ]" 1
324 1 41 ARG H 1 42 GLN H 3.700 . 5.400 4.522 4.289 4.571 . 0 0 "[ . ]" 1
325 1 41 ARG HA 1 42 GLN H 2.500 . 3.100 2.301 2.175 2.379 . 0 0 "[ . ]" 1
326 1 42 GLN H 1 42 GLN QG 3.300 . 4.700 3.980 3.533 4.231 . 0 0 "[ . ]" 1
327 1 27 GLU H 1 28 THR H 2.700 . 3.600 2.737 2.684 2.819 . 0 0 "[ . ]" 1
328 1 26 ARG QB 1 27 GLU H 3.200 . 4.500 2.433 2.264 2.791 . 0 0 "[ . ]" 1
329 1 26 ARG QG 1 27 GLU H 3.900 . 5.400 3.950 3.540 4.332 . 0 0 "[ . ]" 1
330 1 60 ILE HB 1 65 GLN H 4.300 . 6.000 6.931 6.735 7.054 1.054 2 7 [*+-****] 1
331 1 41 ARG HB2 1 42 GLN H 3.000 . 4.200 2.687 1.999 3.222 . 0 0 "[ . ]" 1
332 1 41 ARG HG2 1 42 GLN H 3.200 . 4.500 2.302 2.150 2.581 . 0 0 "[ . ]" 1
333 1 27 GLU H 1 27 GLU HA 2.700 . 3.400 2.726 2.699 2.760 . 0 0 "[ . ]" 1
334 1 27 GLU H 1 27 GLU QB 2.800 . 3.800 2.177 2.053 2.232 . 0 0 "[ . ]" 1
335 1 69 LEU H 1 71 VAL MG1 3.400 . 4.900 3.255 2.940 3.540 . 0 0 "[ . ]" 1
336 1 8 GLU QG 1 10 GLU H 3.600 . 5.200 2.534 1.927 4.299 0.073 2 0 "[ . ]" 1
337 1 10 GLU H 1 10 GLU QG 2.300 . 3.000 2.198 1.943 3.089 0.089 7 0 "[ . ]" 1
338 1 10 GLU H 1 110 TYR QD 3.000 . 4.100 3.334 2.878 4.156 0.056 7 0 "[ . ]" 1
339 1 10 GLU H 1 10 GLU HA 2.500 . 3.300 2.931 2.919 2.940 . 0 0 "[ . ]" 1
340 1 8 GLU HA 1 10 GLU H 3.200 . 4.500 3.448 2.915 4.336 . 0 0 "[ . ]" 1
341 1 8 GLU QB 1 10 GLU H 2.700 . 3.600 3.751 3.406 4.698 1.098 7 2 "[ -. +]" 1
342 1 10 GLU H 1 10 GLU QB 2.800 . 3.800 3.099 2.698 3.239 . 0 0 "[ . ]" 1
343 1 101 GLU H 1 102 GLN H 2.600 . 3.300 2.783 2.710 2.871 . 0 0 "[ . ]" 1
344 1 100 ILE HA 1 101 GLU H 3.400 . 4.800 3.555 3.548 3.565 . 0 0 "[ . ]" 1
345 1 94 GLU HA 1 97 ASN H 3.000 . 4.100 3.242 3.166 3.352 . 0 0 "[ . ]" 1
346 1 96 VAL H 1 97 ASN H 2.600 . 3.500 2.740 2.709 2.771 . 0 0 "[ . ]" 1
347 1 97 ASN H 1 97 ASN HA 2.600 . 3.400 2.829 2.800 2.847 . 0 0 "[ . ]" 1
348 1 97 ASN H 1 97 ASN HB2 2.400 . 3.100 2.329 2.125 2.470 . 0 0 "[ . ]" 1
349 1 95 LEU MD2 1 97 ASN H 3.400 . 4.900 2.305 2.077 2.509 . 0 0 "[ . ]" 1
350 1 100 ILE H 1 101 GLU H 2.600 . 3.400 2.803 2.633 2.909 . 0 0 "[ . ]" 1
351 1 90 GLN H 1 101 GLU H 3.100 . 4.300 3.598 3.422 3.813 . 0 0 "[ . ]" 1
352 1 101 GLU H 1 101 GLU HA 2.400 . 3.100 2.746 2.726 2.760 . 0 0 "[ . ]" 1
353 1 97 ASN H 1 98 GLN QG 3.600 . 5.200 2.736 2.476 2.963 . 0 0 "[ . ]" 1
354 1 101 GLU H 1 101 GLU QB 2.200 . 2.800 2.261 2.139 2.400 . 0 0 "[ . ]" 1
355 1 100 ILE MG 1 101 GLU H 3.100 . 3.800 3.054 2.831 3.226 . 0 0 "[ . ]" 1
356 1 51 THR MG 1 54 LYS H 3.600 . 4.700 4.124 3.432 4.671 . 0 0 "[ . ]" 1
357 1 57 LEU HA 1 64 LEU H 3.700 . 5.500 3.525 3.440 3.675 . 0 0 "[ . ]" 1
358 1 64 LEU H 1 64 LEU QB 2.400 . 3.100 2.139 2.077 2.217 . 0 0 "[ . ]" 1
359 1 62 LEU HB2 1 64 LEU H 3.400 . 4.900 4.472 4.407 4.652 . 0 0 "[ . ]" 1
360 1 63 ALA MB 1 64 LEU H 2.700 . 3.600 2.581 2.426 2.727 . 0 0 "[ . ]" 1
361 1 64 LEU H 1 64 LEU HA 2.700 . 3.600 2.896 2.867 2.909 . 0 0 "[ . ]" 1
362 1 20 VAL QG 1 64 LEU H 3.900 . 5.800 3.858 3.581 4.196 . 0 0 "[ . ]" 1
363 1 47 LEU QB 1 54 LYS H 3.400 . 4.900 5.757 5.687 5.892 0.992 4 7 [**-+***] 1
364 1 54 LYS H 1 54 LYS QG 4.000 . 6.000 3.509 3.350 3.758 . 0 0 "[ . ]" 1
365 1 51 THR H 1 54 LYS H 2.700 . 3.600 2.501 2.430 2.631 . 0 0 "[ . ]" 1
366 1 51 THR HB 1 54 LYS H 2.200 . 2.800 2.620 2.065 3.225 0.425 6 0 "[ . ]" 1
367 1 54 LYS H 1 54 LYS HA 2.900 . 3.900 2.832 2.771 2.856 . 0 0 "[ . ]" 1
368 1 54 LYS H 1 54 LYS QB 2.300 . 2.900 2.112 2.041 2.175 . 0 0 "[ . ]" 1
369 1 105 LYS H 1 106 LYS H 2.200 . 2.800 2.818 2.695 2.897 0.097 7 0 "[ . ]" 1
370 1 106 LYS H 1 106 LYS HA 2.500 . 3.300 2.938 2.928 2.949 . 0 0 "[ . ]" 1
371 1 104 ILE HA 1 106 LYS H 3.500 . 5.000 3.489 3.421 3.544 . 0 0 "[ . ]" 1
372 1 103 LEU HA 1 106 LYS H 3.700 . 5.400 3.798 3.592 3.941 . 0 0 "[ . ]" 1
373 1 105 LYS QD 1 106 LYS H 2.500 . 3.300 3.033 2.938 3.169 . 0 0 "[ . ]" 1
374 1 105 LYS QD 1 106 LYS H 2.800 . 3.800 3.227 3.063 3.416 . 0 0 "[ . ]" 1
375 1 106 LYS H 1 106 LYS HG3 2.300 . 3.000 3.173 2.980 3.458 0.458 2 0 "[ . ]" 1
376 1 90 GLN HA 1 91 SER H 2.600 . 3.400 2.667 2.611 2.695 . 0 0 "[ . ]" 1
377 1 91 SER H 1 91 SER QB 3.200 . 4.100 2.498 2.362 2.757 . 0 0 "[ . ]" 1
378 1 27 GLU H 1 29 LYS H 3.100 . 4.300 3.837 3.729 3.932 . 0 0 "[ . ]" 1
379 1 28 THR HA 1 29 LYS H 2.900 . 4.000 3.271 3.233 3.321 . 0 0 "[ . ]" 1
380 1 29 LYS H 1 29 LYS HA 2.000 . 2.500 2.281 2.276 2.291 . 0 0 "[ . ]" 1
381 1 29 LYS H 1 29 LYS QB 3.300 . 4.600 3.309 3.191 3.381 . 0 0 "[ . ]" 1
382 1 29 LYS H 1 29 LYS QD 3.100 . 4.300 3.243 2.749 3.568 . 0 0 "[ . ]" 1
383 1 29 LYS H 1 29 LYS QG 3.500 . 5.000 2.608 2.372 2.803 . 0 0 "[ . ]" 1
384 1 70 GLU H 1 70 GLU HA 2.600 . 3.400 2.933 2.900 2.943 . 0 0 "[ . ]" 1
385 1 68 GLY HA2 1 70 GLU H 4.500 . 6.000 6.373 6.153 6.654 0.654 5 1 "[ + ]" 1
386 1 69 LEU HA 1 70 GLU H 3.400 . 4.800 3.467 3.409 3.497 . 0 0 "[ . ]" 1
387 1 68 GLY HA3 1 70 GLU H 4.900 . 6.000 5.266 4.966 5.770 . 0 0 "[ . ]" 1
388 1 70 GLU H 1 70 GLU QB 2.500 . 3.300 2.895 2.401 3.072 . 0 0 "[ . ]" 1
389 1 69 LEU QB 1 70 GLU H 2.400 . 3.100 1.554 1.476 1.724 0.524 4 2 "[ +. -]" 1
390 1 69 LEU QD 1 70 GLU H 3.900 . 5.800 3.053 2.682 3.236 . 0 0 "[ . ]" 1
391 1 66 ASP H 1 67 SER H 2.600 . 3.300 2.424 2.328 2.466 . 0 0 "[ . ]" 1
392 1 65 GLN HA 1 66 ASP H 3.100 . 4.300 3.574 3.548 3.591 . 0 0 "[ . ]" 1
393 1 66 ASP H 1 66 ASP HB3 . . 3.500 3.647 3.570 3.696 0.196 7 0 "[ . ]" 1
394 1 66 ASP H 1 66 ASP HB2 2.500 . 3.300 2.465 2.313 2.653 . 0 0 "[ . ]" 1
395 1 65 GLN QB 1 66 ASP H 2.500 . 3.300 2.532 2.468 2.680 . 0 0 "[ . ]" 1
396 1 80 ALA H 1 81 LEU H 3.100 . 4.300 2.537 2.487 2.581 . 0 0 "[ . ]" 1
397 1 81 LEU H 1 82 GLY H 3.100 . 4.000 2.705 2.625 2.764 . 0 0 "[ . ]" 1
398 1 81 LEU H 1 81 LEU HA 3.300 . 4.700 2.757 2.736 2.785 . 0 0 "[ . ]" 1
399 1 81 LEU H 1 81 LEU HB2 3.000 . 4.100 2.389 2.036 2.880 . 0 0 "[ . ]" 1
400 1 81 LEU H 1 81 LEU HB3 2.800 . 3.800 2.677 2.140 3.336 . 0 0 "[ . ]" 1
401 1 81 LEU H 1 81 LEU QD 4.200 . 6.000 3.106 2.451 3.478 . 0 0 "[ . ]" 1
402 1 62 LEU HB2 1 66 ASP H 3.900 . 5.800 4.282 4.240 4.341 . 0 0 "[ . ]" 1
403 1 66 ASP H 1 66 ASP HA 2.900 . 4.000 2.925 2.892 2.946 . 0 0 "[ . ]" 1
404 1 63 ALA HA 1 66 ASP H 3.400 . 4.800 3.938 3.744 4.232 . 0 0 "[ . ]" 1
405 1 63 ALA MB 1 66 ASP H 3.800 . 5.600 5.059 4.868 5.268 . 0 0 "[ . ]" 1
406 1 64 LEU H 1 66 ASP H 3.800 . 5.600 4.421 4.326 4.513 . 0 0 "[ . ]" 1
407 1 35 TYR HA 1 36 VAL H 2.500 . 3.300 2.462 2.356 2.574 . 0 0 "[ . ]" 1
408 1 35 TYR QB 1 36 VAL H 3.900 . 5.800 2.569 2.301 2.773 . 0 0 "[ . ]" 1
409 1 36 VAL H 1 36 VAL MG1 3.700 . 5.400 2.727 1.974 3.983 0.026 6 0 "[ . ]" 1
410 1 70 GLU H 1 108 LYS H 4.000 . 6.000 4.413 3.881 4.761 . 0 0 "[ . ]" 1
411 1 106 LYS HA 1 108 LYS H 4.700 . 6.000 5.376 4.856 5.881 . 0 0 "[ . ]" 1
412 1 106 LYS HG3 1 108 LYS H 3.300 . 4.700 2.383 2.043 2.634 . 0 0 "[ . ]" 1
413 1 59 ALA MB 1 60 ILE H 3.000 . 4.100 2.732 2.623 2.829 . 0 0 "[ . ]" 1
414 1 57 LEU H 1 60 ILE H 3.600 . 5.200 4.277 4.184 4.394 . 0 0 "[ . ]" 1
415 1 20 VAL H 1 21 ASP HA 3.700 . 4.500 5.044 4.990 5.075 0.575 6 6 "[**-**+ ]" 1
416 1 107 GLU H 1 108 LYS H 1.800 . 2.200 2.724 2.185 3.027 0.827 5 4 "[* *+ -]" 1
417 1 70 GLU HA 1 108 LYS H 2.300 . 3.000 2.209 1.766 2.639 . 0 0 "[ . ]" 1
418 1 108 LYS H 1 108 LYS HA 2.500 . 3.300 2.820 2.680 2.913 . 0 0 "[ . ]" 1
419 1 107 GLU HA 1 108 LYS H 3.300 . 4.500 3.560 3.498 3.616 . 0 0 "[ . ]" 1
420 1 107 GLU QG 1 108 LYS H 3.700 . 5.400 3.203 2.538 3.912 . 0 0 "[ . ]" 1
421 1 70 GLU QB 1 108 LYS H 2.500 . 3.300 2.154 1.550 2.526 0.150 4 0 "[ . ]" 1
422 1 69 LEU QB 1 108 LYS H 2.900 . 4.000 2.159 1.551 2.514 0.249 4 0 "[ . ]" 1
423 1 58 GLN HB3 1 60 ILE H 3.400 . 4.800 3.174 3.065 3.332 . 0 0 "[ . ]" 1
424 1 57 LEU HA 1 60 ILE H 3.600 . 5.200 3.176 3.077 3.356 . 0 0 "[ . ]" 1
425 1 60 ILE H 1 60 ILE HA 2.900 . 3.900 2.780 2.770 2.802 . 0 0 "[ . ]" 1
426 1 60 ILE H 1 60 ILE HB 2.200 . 2.800 2.215 2.150 2.434 . 0 0 "[ . ]" 1
427 1 57 LEU QB 1 60 ILE H 3.900 . 5.800 4.482 4.388 4.595 . 0 0 "[ . ]" 1
428 1 20 VAL QG 1 60 ILE H 3.900 . 5.800 3.010 2.505 3.183 . 0 0 "[ . ]" 1
429 1 36 VAL HA 1 37 THR H 2.600 . 3.500 2.197 2.112 2.414 . 0 0 "[ . ]" 1
430 1 36 VAL HB 1 37 THR H 3.800 . 5.600 3.928 3.327 4.361 . 0 0 "[ . ]" 1
431 1 36 VAL MG1 1 37 THR H 3.400 . 4.900 3.668 2.318 4.206 . 0 0 "[ . ]" 1
432 1 37 THR H 1 37 THR MG 3.700 . 5.400 2.298 1.808 3.783 0.192 2 0 "[ . ]" 1
433 1 50 THR H 1 50 THR HB 3.600 . 5.200 3.680 3.447 3.800 . 0 0 "[ . ]" 1
434 1 4 LEU HB3 1 5 TYR H 3.100 . 4.300 2.136 2.053 2.357 . 0 0 "[ . ]" 1
435 1 49 ASP HA 1 50 THR H 2.800 . 3.800 3.052 2.950 3.173 . 0 0 "[ . ]" 1
436 1 29 LYS QB 1 50 THR H 4.100 . 6.000 2.269 1.892 2.887 0.008 3 0 "[ . ]" 1
437 1 50 THR H 1 50 THR MG 3.000 . 4.100 2.570 2.123 3.242 . 0 0 "[ . ]" 1
438 1 101 GLU HA 1 102 GLN H 2.600 . 3.400 2.736 2.722 2.746 . 0 0 "[ . ]" 1
439 1 102 GLN H 1 102 GLN QG 2.700 . 3.400 3.684 2.434 4.069 0.669 7 3 "[ *.-+]" 1
440 1 100 ILE HB 1 102 GLN H 3.300 . 4.600 2.147 2.058 2.370 . 0 0 "[ . ]" 1
441 1 102 GLN H 1 102 GLN QB 2.900 . 4.000 2.149 2.060 2.375 . 0 0 "[ . ]" 1
442 1 100 ILE MG 1 102 GLN H 4.000 . 6.000 4.583 4.503 4.672 . 0 0 "[ . ]" 1
443 1 64 LEU QD 1 102 GLN H 4.100 . 6.000 3.978 3.821 4.096 . 0 0 "[ . ]" 1
444 1 4 LEU HA 1 5 TYR H 3.400 . 4.100 3.178 3.033 3.462 . 0 0 "[ . ]" 1
445 1 102 GLN H 1 103 LEU HA 3.900 . 5.800 5.081 5.038 5.156 . 0 0 "[ . ]" 1
446 1 91 SER HA 1 93 SER H 3.600 . 5.200 5.946 5.841 6.082 0.882 1 7 [+****-*] 1
447 1 93 SER H 1 93 SER QB 2.600 . 3.500 2.110 2.042 2.211 . 0 0 "[ . ]" 1
448 1 87 GLN H 1 87 GLN HA 2.800 . 3.800 2.364 2.324 2.465 . 0 0 "[ . ]" 1
449 1 86 ALA HA 1 87 GLN H 2.600 . 3.400 2.609 2.263 2.909 . 0 0 "[ . ]" 1
450 1 87 GLN H 1 88 PRO QD 3.000 . 4.100 2.505 2.419 2.626 . 0 0 "[ . ]" 1
451 1 87 GLN H 1 88 PRO QD 2.500 . 3.300 2.827 2.636 3.242 . 0 0 "[ . ]" 1
452 1 87 GLN H 1 87 GLN QG 3.300 . 4.700 2.750 2.207 3.477 . 0 0 "[ . ]" 1
453 1 86 ALA MB 1 87 GLN H 3.500 . 5.000 3.694 3.617 3.727 . 0 0 "[ . ]" 1
454 1 66 ASP HA 1 67 SER H 2.900 . 3.900 3.221 3.132 3.429 . 0 0 "[ . ]" 1
455 1 67 SER H 1 67 SER HA 3.000 . 4.100 2.773 2.721 2.802 . 0 0 "[ . ]" 1
456 1 67 SER H 1 67 SER HB2 2.800 . 3.800 3.126 2.265 3.582 . 0 0 "[ . ]" 1
457 1 67 SER H 1 67 SER HB3 3.200 . 4.500 2.714 2.141 3.594 . 0 0 "[ . ]" 1
458 1 66 ASP HB2 1 67 SER H 4.100 . 6.000 3.665 3.169 3.880 . 0 0 "[ . ]" 1
459 1 65 GLN QB 1 67 SER H 4.200 . 6.000 4.278 4.121 4.409 . 0 0 "[ . ]" 1
460 1 63 ALA MB 1 67 SER H 3.300 . 4.700 4.538 4.389 4.583 . 0 0 "[ . ]" 1
461 1 67 SER H 1 68 GLY H 3.400 . 4.800 3.124 2.774 4.194 . 0 0 "[ . ]" 1
462 1 97 ASN H 1 97 ASN QD 4.800 . 6.000 2.288 1.954 2.772 0.046 7 0 "[ . ]" 1
463 1 94 GLU HA 1 97 ASN QD 4.200 . 5.800 3.324 2.840 3.774 . 0 0 "[ . ]" 1
464 1 97 ASN HB2 1 97 ASN QD 3.500 . 3.600 2.853 2.575 3.236 . 0 0 "[ . ]" 1
465 1 5 TYR QB 1 6 GLN HE22 3.800 . 5.600 3.360 2.190 4.023 . 0 0 "[ . ]" 1
466 1 6 GLN H 1 6 GLN HE22 4.300 . 6.000 2.751 2.474 2.952 . 0 0 "[ . ]" 1
467 1 6 GLN HE22 1 6 GLN QG 3.500 . 5.000 3.410 3.185 3.514 . 0 0 "[ . ]" 1
468 1 90 GLN QE 1 97 ASN QD 3.700 . 4.500 4.683 4.479 4.794 0.294 3 0 "[ . ]" 1
469 1 6 GLN HE21 1 6 GLN QG 3.100 . 4.300 2.629 2.047 2.893 . 0 0 "[ . ]" 1
470 1 2 ASN QD 1 5 TYR QD 4.300 . 6.000 4.144 2.869 4.638 . 0 0 "[ . ]" 1
471 1 90 GLN QE 1 90 GLN QG 3.600 . 4.300 2.113 2.092 2.184 . 0 0 "[ . ]" 1
472 1 72 ASN HB3 1 72 ASN HD22 3.600 . 5.200 3.465 2.577 3.933 . 0 0 "[ . ]" 1
473 1 72 ASN HB2 1 72 ASN HD22 4.100 . 6.000 3.765 3.645 4.048 . 0 0 "[ . ]" 1
474 1 11 PRO HG3 1 72 ASN HD22 3.100 . 4.300 2.467 2.036 2.959 . 0 0 "[ . ]" 1
475 1 15 ALA MB 1 72 ASN HD22 2.700 . 3.600 2.584 2.293 3.084 . 0 0 "[ . ]" 1
476 1 12 ILE MG 1 72 ASN HD22 4.300 . 6.000 3.885 3.543 4.250 . 0 0 "[ . ]" 1
477 1 102 GLN H 1 102 GLN QE 1.700 . 2.200 3.291 2.192 3.989 1.789 6 6 "[ **-*+*]" 1
478 1 102 GLN QE 1 105 LYS H 4.100 . 6.000 5.062 4.615 5.470 . 0 0 "[ . ]" 1
479 1 102 GLN QE 1 102 GLN QG 2.700 . 3.600 2.376 2.086 2.656 . 0 0 "[ . ]" 1
480 1 101 GLU QB 1 102 GLN QE 3.000 . 4.100 3.162 2.546 3.843 . 0 0 "[ . ]" 1
481 1 65 GLN QG 1 102 GLN QE 3.800 . 5.600 3.344 2.988 3.708 . 0 0 "[ . ]" 1
482 1 47 LEU QB 1 48 THR H 3.200 . 4.400 2.914 2.829 3.055 . 0 0 "[ . ]" 1
483 1 48 THR H 1 48 THR MG 3.400 . 4.800 3.615 3.421 3.852 . 0 0 "[ . ]" 1
484 1 47 LEU QD 1 48 THR H 3.400 . 4.900 3.123 2.849 3.690 . 0 0 "[ . ]" 1
485 1 35 TYR H 1 43 LYS H 3.000 . 4.200 2.273 2.224 2.341 . 0 0 "[ . ]" 1
486 1 34 GLY QA 1 35 TYR H 2.500 . 3.300 2.217 2.187 2.229 . 0 0 "[ . ]" 1
487 1 54 LYS H 1 55 THR H 2.900 . 3.900 2.545 2.462 2.720 . 0 0 "[ . ]" 1
488 1 54 LYS QB 1 55 THR H 3.300 . 4.700 2.992 2.932 3.062 . 0 0 "[ . ]" 1
489 1 55 THR H 1 55 THR HB 2.700 . 3.600 3.625 3.609 3.647 0.047 4 0 "[ . ]" 1
490 1 51 THR MG 1 55 THR H 3.900 . 5.800 1.981 1.825 2.246 0.175 3 0 "[ . ]" 1
491 1 53 GLN QB 1 53 GLN QE 3.700 . 5.400 2.329 1.793 2.665 0.207 7 0 "[ . ]" 1
492 1 53 GLN QE 1 77 SER HA 3.000 . 4.100 4.170 3.792 4.789 0.689 4 1 "[ +. ]" 1
493 1 53 GLN QB 1 53 GLN QE 3.500 . 5.000 2.488 2.318 2.680 . 0 0 "[ . ]" 1
494 1 53 GLN QE 1 53 GLN QG 4.300 . 6.000 2.233 2.143 2.377 . 0 0 "[ . ]" 1
495 1 65 GLN QE 1 102 GLN QE 3.700 . 5.400 3.808 3.024 4.274 . 0 0 "[ . ]" 1
496 1 65 GLN QE 1 98 GLN QG 3.900 . 5.800 5.421 4.455 6.573 0.773 6 1 "[ .+ ]" 1
497 1 85 GLN QB 1 85 GLN HE21 4.100 . 6.000 3.621 2.726 3.910 . 0 0 "[ . ]" 1
498 1 85 GLN HE22 1 85 GLN HG3 3.400 . 4.800 3.540 3.445 3.714 . 0 0 "[ . ]" 1
499 1 77 SER HA 1 78 GLN QE 3.300 . 4.100 3.598 2.945 4.072 . 0 0 "[ . ]" 1
500 1 78 GLN HB2 1 78 GLN QE 4.200 . 6.000 2.102 1.605 2.331 0.395 6 0 "[ . ]" 1
501 1 61 TYR QD 1 65 GLN QE 3.800 . 5.600 3.895 3.445 4.642 . 0 0 "[ . ]" 1
502 1 65 GLN QE 1 65 GLN QG 3.400 . 3.600 2.101 2.069 2.142 . 0 0 "[ . ]" 1
503 1 5 TYR QE 1 87 GLN HE22 4.100 . 6.000 5.798 3.818 6.720 0.720 6 1 "[ .+ ]" 1
504 1 86 ALA H 1 87 GLN HE21 3.300 . 4.700 4.418 4.030 5.174 0.474 3 0 "[ . ]" 1
505 1 87 GLN HA 1 87 GLN HE22 4.000 . 6.000 4.863 3.792 5.222 . 0 0 "[ . ]" 1
506 1 85 GLN QB 1 87 GLN HE22 4.100 . 6.000 5.866 4.408 6.584 0.584 6 1 "[ .+ ]" 1
507 1 85 GLN HG2 1 87 GLN HE22 4.000 . 6.000 5.480 5.064 6.781 0.781 6 1 "[ .+ ]" 1
508 1 87 GLN HE21 1 87 GLN QG 3.100 . 4.300 2.392 2.104 2.861 . 0 0 "[ . ]" 1
509 1 87 GLN HA 1 87 GLN HE21 3.100 . 4.300 3.558 2.097 4.426 0.126 5 0 "[ . ]" 1
510 1 51 THR H 1 54 LYS H 4.000 . 6.000 3.713 3.501 3.872 . 0 0 "[ . ]" 1
511 1 51 THR H 1 51 THR HB 2.600 . 3.400 2.799 2.632 2.982 . 0 0 "[ . ]" 1
512 1 51 THR H 1 51 THR HA 2.500 . 3.300 2.846 2.814 2.918 . 0 0 "[ . ]" 1
513 1 50 THR HB 1 51 THR H 2.400 . 3.100 3.225 2.941 3.476 0.376 2 0 "[ . ]" 1
514 1 51 THR H 1 54 LYS QB 2.000 . 2.500 1.904 1.629 2.186 . 0 0 "[ . ]" 1
515 1 51 THR H 1 54 LYS QG 4.100 . 6.000 2.904 2.106 3.186 . 0 0 "[ . ]" 1
516 1 50 THR MG 1 51 THR H 3.600 . 5.200 3.974 3.109 4.314 . 0 0 "[ . ]" 1
517 1 65 GLN QE 1 98 GLN QE 3.600 . 5.200 4.444 3.353 5.529 0.329 6 0 "[ . ]" 1
518 1 61 TYR QE 1 98 GLN QE 3.400 . 4.900 2.626 1.947 3.956 . 0 0 "[ . ]" 1
519 1 98 GLN QE 1 98 GLN QG 3.700 . 5.400 2.162 2.080 2.287 . 0 0 "[ . ]" 1
520 1 30 LEU QB 1 31 GLY H 3.700 . 5.500 2.086 2.014 2.176 . 0 0 "[ . ]" 1
521 1 30 LEU HA 1 31 GLY H 2.900 . 3.900 2.254 2.201 2.322 . 0 0 "[ . ]" 1
522 1 31 GLY H 1 32 LYS QG 4.000 . 6.000 3.169 2.920 3.494 . 0 0 "[ . ]" 1
523 1 58 GLN QE 1 58 GLN QG 3.700 . 5.400 2.095 2.076 2.109 . 0 0 "[ . ]" 1
524 1 58 GLN QB 1 58 GLN QE 3.400 . 4.800 3.386 3.173 3.478 . 0 0 "[ . ]" 1
525 1 27 GLU H 1 28 THR H 2.800 . 3.800 2.803 2.752 2.908 . 0 0 "[ . ]" 1
526 1 27 GLU HA 1 28 THR H 3.400 . 4.800 3.457 3.419 3.521 . 0 0 "[ . ]" 1
527 1 27 GLU QG 1 28 THR H 3.900 . 5.800 3.968 3.583 4.435 . 0 0 "[ . ]" 1
528 1 28 THR H 1 28 THR MG 3.700 . 5.400 3.589 1.963 3.931 0.037 4 0 "[ . ]" 1
529 1 22 GLY H 1 33 ALA HA 3.900 . 5.800 4.086 3.908 4.168 . 0 0 "[ . ]" 1
530 1 34 GLY H 1 35 TYR H 4.600 . 6.000 4.306 4.252 4.347 . 0 0 "[ . ]" 1
531 1 33 ALA HA 1 34 GLY H 2.500 . 2.800 2.153 2.141 2.172 . 0 0 "[ . ]" 1
532 1 34 GLY H 1 59 ALA MB 2.900 . 3.600 2.937 2.797 3.251 . 0 0 "[ . ]" 1
533 1 33 ALA MB 1 34 GLY H 3.700 . 5.400 3.264 3.251 3.299 . 0 0 "[ . ]" 1
534 1 34 GLY H 1 47 LEU QD 3.800 . 5.600 5.035 4.878 5.384 . 0 0 "[ . ]" 1
535 1 79 TYR HA 1 82 GLY H 3.600 . 5.200 3.132 2.967 3.244 . 0 0 "[ . ]" 1
536 1 82 GLY H 1 82 GLY HA3 2.300 . 2.900 2.319 2.315 2.323 . 0 0 "[ . ]" 1
537 1 78 GLN HB3 1 82 GLY H 3.500 . 5.000 3.589 3.086 3.942 . 0 0 "[ . ]" 1
538 1 81 LEU QD 1 82 GLY H 4.100 . 6.000 3.455 3.125 4.004 . 0 0 "[ . ]" 1
539 1 81 LEU HB3 1 82 GLY H 2.900 . 4.000 2.705 2.503 3.048 . 0 0 "[ . ]" 1
540 1 51 THR HA 1 51 THR HB 2.800 . 3.800 2.933 2.849 2.991 . 0 0 "[ . ]" 1
541 1 28 THR HB 1 29 LYS HD3 2.700 . 3.600 3.088 2.589 3.900 0.300 4 0 "[ . ]" 1
542 1 32 LYS QG 1 46 THR HB 4.100 . 6.000 5.164 4.950 5.489 . 0 0 "[ . ]" 1
543 1 17 THR HB 1 38 ASN HB3 3.500 . 4.700 5.151 4.944 5.376 0.676 6 3 "[ - *.+ ]" 1
544 1 46 THR HB 1 47 LEU H 3.600 . 5.200 3.012 2.938 3.175 . 0 0 "[ . ]" 1
545 1 32 LYS QD 1 46 THR HB 4.100 . 6.000 5.452 4.646 5.653 . 0 0 "[ . ]" 1
546 1 46 THR HB 1 46 THR MG 2.200 . 2.800 2.103 2.090 2.112 . 0 0 "[ . ]" 1
547 1 33 ALA H 1 55 THR HB 3.900 . 5.800 5.674 5.391 5.843 0.043 6 0 "[ . ]" 1
548 1 23 ALA H 1 55 THR HB 4.300 . 6.000 4.780 4.468 5.055 . 0 0 "[ . ]" 1
549 1 55 THR HA 1 55 THR HB 2.600 . 3.400 2.350 2.328 2.402 . 0 0 "[ . ]" 1
550 1 47 LEU HA 1 55 THR HB 4.700 . 6.000 5.485 5.358 5.825 . 0 0 "[ . ]" 1
551 1 18 PHE HZ 1 67 SER HB2 4.200 . 6.000 5.052 4.599 5.492 . 0 0 "[ . ]" 1
552 1 67 SER HB3 1 68 GLY H 3.700 . 5.400 3.631 2.696 4.612 . 0 0 "[ . ]" 1
553 1 18 PHE QR 1 67 SER HB3 3.900 . 5.800 3.884 3.448 4.256 . 0 0 "[ . ]" 1
554 1 55 THR HA 1 55 THR MG 2.700 . 3.300 2.537 2.373 2.635 . 0 0 "[ . ]" 1
555 1 47 LEU QD 1 55 THR HA 2.500 . 3.300 1.862 1.757 1.984 . 0 0 "[ . ]" 1
556 1 47 LEU H 1 55 THR HA 3.400 . 4.800 3.463 3.373 3.603 . 0 0 "[ . ]" 1
557 1 55 THR HA 1 58 GLN QG 4.000 . 5.200 4.555 4.344 4.680 . 0 0 "[ . ]" 1
558 1 20 VAL H 1 60 ILE HA 3.600 . 5.200 4.003 3.882 4.111 . 0 0 "[ . ]" 1
559 1 60 ILE HA 1 60 ILE HB 2.500 . 3.300 2.956 2.922 3.013 . 0 0 "[ . ]" 1
560 1 100 ILE HA 1 101 GLU H 3.400 . 4.800 3.367 3.333 3.402 . 0 0 "[ . ]" 1
561 1 100 ILE HA 1 103 LEU MD2 3.800 . 5.600 3.610 2.710 4.574 . 0 0 "[ . ]" 1
562 1 57 LEU HG 1 91 SER QB 3.500 . 5.000 9.448 8.816 10.462 5.462 4 7 [***+*-*] 1
563 1 79 TYR QD 1 91 SER QB 3.500 . 5.000 8.008 7.552 9.204 4.204 4 7 [***+*-*] 1
564 1 91 SER QB 1 96 VAL HB 2.100 . 2.700 5.924 5.361 6.559 3.859 4 7 [***+*-*] 1
565 1 83 ILE HB 1 91 SER QB 3.400 . 4.300 5.493 4.880 6.562 2.262 4 7 [***+*-*] 1
566 1 91 SER H 1 91 SER QB 3.200 . 4.500 2.379 2.314 2.495 . 0 0 "[ . ]" 1
567 1 91 SER QB 1 96 VAL QG 2.500 . 3.300 4.271 3.813 4.858 1.558 4 7 [***+*-*] 1
568 1 88 PRO QB 1 91 SER QB 3.600 . 5.200 3.219 2.890 3.991 . 0 0 "[ . ]" 1
569 1 93 SER QB 1 95 LEU QB 4.100 . 6.000 3.640 3.199 4.264 . 0 0 "[ . ]" 1
570 1 22 GLY H 1 77 SER HB2 4.000 . 6.000 4.261 3.991 4.665 . 0 0 "[ . ]" 1
571 1 54 LYS QG 1 93 SER QB 3.400 . 4.900 3.366 2.974 3.704 . 0 0 "[ . ]" 1
572 1 137 VAL HA 1 137 VAL HB 2.700 . 3.600 2.596 2.418 3.001 . 0 0 "[ . ]" 1
573 1 137 VAL HA 1 137 VAL QG 2.700 . 3.600 2.194 1.926 2.349 . 0 0 "[ . ]" 1
574 1 77 SER QB 1 80 ALA MB 3.200 . 4.500 2.179 1.890 2.648 0.010 4 0 "[ . ]" 1
575 1 77 SER QB 1 81 LEU H 4.000 . 6.000 3.580 3.112 4.181 . 0 0 "[ . ]" 1
576 1 59 ALA MB 1 77 SER HB2 3.000 . 4.100 4.471 4.060 4.749 0.649 3 2 "[ +-. ]" 1
577 1 83 ILE HA 1 84 ILE HA 3.400 . 4.900 3.987 3.928 4.060 . 0 0 "[ . ]" 1
578 1 32 LYS HA 1 46 THR HA 2.600 . 3.500 2.806 2.732 2.971 . 0 0 "[ . ]" 1
579 1 46 THR HA 1 46 THR MG 2.900 . 3.800 2.419 2.304 2.532 . 0 0 "[ . ]" 1
580 1 32 LYS QD 1 46 THR HA 4.100 . 6.000 4.105 3.676 4.230 . 0 0 "[ . ]" 1
581 1 12 ILE H 1 71 VAL HA 4.400 . 6.000 5.096 4.815 5.460 . 0 0 "[ . ]" 1
582 1 134 ILE HA 1 134 ILE HB 3.000 . 4.100 2.858 2.455 3.007 . 0 0 "[ . ]" 1
583 1 58 GLN QE 1 61 TYR HA 3.900 . 5.800 5.089 4.963 5.357 . 0 0 "[ . ]" 1
584 1 61 TYR HA 1 61 TYR QB 3.100 . 4.300 2.222 2.187 2.257 . 0 0 "[ . ]" 1
585 1 61 TYR HA 1 65 GLN H 3.000 . 4.100 4.282 4.131 4.353 0.253 4 0 "[ . ]" 1
586 1 61 TYR HA 1 64 LEU H 3.700 . 5.400 3.543 3.457 3.697 . 0 0 "[ . ]" 1
587 1 60 ILE HB 1 61 TYR HA 4.100 . 6.000 4.513 4.261 4.596 . 0 0 "[ . ]" 1
588 1 72 ASN H 1 73 ILE HA 3.800 . 5.600 4.278 4.078 4.358 . 0 0 "[ . ]" 1
589 1 35 TYR QD 1 44 VAL HA 4.000 . 6.000 5.946 5.519 6.256 0.256 7 0 "[ . ]" 1
590 1 18 PHE QD 1 73 ILE HA 4.300 . 6.000 4.238 4.003 4.476 . 0 0 "[ . ]" 1
591 1 60 ILE QG 1 73 ILE HA 4.400 . 6.000 4.497 4.442 4.636 . 0 0 "[ . ]" 1
592 1 71 VAL HA 1 72 ASN H 2.200 . 2.800 2.403 2.337 2.470 . 0 0 "[ . ]" 1
593 1 70 GLU HA 1 71 VAL HA 3.900 . 5.100 4.393 4.381 4.405 . 0 0 "[ . ]" 1
594 1 71 VAL HA 1 71 VAL HB 2.500 . 3.300 2.456 2.420 2.540 . 0 0 "[ . ]" 1
595 1 61 TYR HA 1 64 LEU QB 3.000 . 4.100 2.410 2.173 2.722 . 0 0 "[ . ]" 1
596 1 58 GLN QE 1 61 TYR HA 4.600 . 6.000 4.540 4.451 4.740 . 0 0 "[ . ]" 1
597 1 33 ALA HA 1 44 VAL HA 3.900 . 5.800 4.714 4.623 4.812 . 0 0 "[ . ]" 1
598 1 32 LYS QB 1 44 VAL HA 3.800 . 5.600 3.930 3.837 3.995 . 0 0 "[ . ]" 1
599 1 73 ILE HB 1 109 VAL HA 3.400 . 4.900 4.087 3.802 4.279 . 0 0 "[ . ]" 1
600 1 74 VAL HA 1 111 LEU HA 3.900 . 5.800 3.798 3.662 4.001 . 0 0 "[ . ]" 1
601 1 48 THR HA 1 50 THR H 3.400 . 4.800 3.549 3.476 3.687 . 0 0 "[ . ]" 1
602 1 29 LYS HA 1 48 THR HA 4.000 . 6.000 5.804 5.552 6.529 0.529 4 1 "[ +. ]" 1
603 1 56 GLU QB 1 79 TYR HA 4.000 . 6.000 7.019 6.748 7.356 1.356 4 7 [***+*-*] 1
604 1 53 GLN HA 1 54 LYS HA 3.400 . 4.800 4.754 4.724 4.810 0.010 4 0 "[ . ]" 1
605 1 54 LYS HA 1 58 GLN H 3.900 . 5.800 3.785 3.568 3.879 . 0 0 "[ . ]" 1
606 1 53 GLN QB 1 54 LYS HA 2.900 . 3.900 3.930 3.847 3.974 0.074 7 0 "[ . ]" 1
607 1 54 LYS HA 1 95 LEU QB 2.800 . 3.800 4.157 3.898 4.371 0.571 6 2 "[ - .+ ]" 1
608 1 34 GLY QA 1 44 VAL HA 2.900 . 4.000 2.302 2.171 2.453 . 0 0 "[ . ]" 1
609 1 44 VAL HA 1 44 VAL HB 2.600 . 3.500 2.269 2.207 2.350 . 0 0 "[ . ]" 1
610 1 32 LYS HD2 1 44 VAL HA 4.000 . 6.000 4.259 4.064 4.407 . 0 0 "[ . ]" 1
611 1 79 TYR HA 1 82 GLY H 3.500 . 5.100 2.625 2.226 2.726 . 0 0 "[ . ]" 1
612 1 53 GLN QG 1 79 TYR HA 4.500 . 6.000 4.404 3.797 4.944 . 0 0 "[ . ]" 1
613 1 55 THR H 1 56 GLU HA 4.200 . 6.000 5.129 5.093 5.169 . 0 0 "[ . ]" 1
614 1 54 LYS HA 1 57 LEU H 3.400 . 4.900 2.685 2.616 2.792 . 0 0 "[ . ]" 1
615 1 101 GLU HA 1 102 GLN H 3.000 . 4.100 3.517 3.493 3.535 . 0 0 "[ . ]" 1
616 1 54 LYS HA 1 54 LYS QB 2.300 . 3.000 2.362 1.787 2.484 . 0 0 "[ . ]" 1
617 1 9 LYS HA 1 74 VAL HA 4.200 . 6.000 6.636 6.454 6.797 0.797 2 5 "[ +* **-]" 1
618 1 45 VAL HA 1 45 VAL QG 2.600 . 3.500 2.307 2.163 2.413 . 0 0 "[ . ]" 1
619 1 47 LEU QB 1 48 THR HA 3.100 . 4.300 3.996 3.891 4.062 . 0 0 "[ . ]" 1
620 1 48 THR HA 1 48 THR MG 2.600 . 3.500 2.068 1.919 2.217 . 0 0 "[ . ]" 1
621 1 31 GLY QA 1 54 LYS HA 4.400 . 6.000 5.530 5.345 5.731 . 0 0 "[ . ]" 1
622 1 18 PHE QB 1 109 VAL HA 4.100 . 6.000 5.083 4.892 5.187 . 0 0 "[ . ]" 1
623 1 20 VAL H 1 73 ILE HA 3.700 . 5.400 4.706 4.569 4.870 . 0 0 "[ . ]" 1
624 1 15 ALA MB 1 109 VAL HA 3.500 . 5.100 4.153 3.910 4.293 . 0 0 "[ . ]" 1
625 1 50 THR HA 1 50 THR HB 2.400 . 3.100 2.429 2.291 2.722 . 0 0 "[ . ]" 1
626 1 50 THR HA 1 54 LYS QB 3.100 . 4.300 2.440 2.173 2.601 . 0 0 "[ . ]" 1
627 1 45 VAL HA 1 45 VAL HB 2.900 . 3.900 2.421 2.372 2.512 . 0 0 "[ . ]" 1
628 1 53 GLN HA 1 56 GLU QG 4.700 . 6.000 2.118 1.826 2.370 0.074 3 0 "[ . ]" 1
629 1 44 VAL H 1 44 VAL HA 2.800 . 3.800 2.128 2.097 2.200 . 0 0 "[ . ]" 1
630 1 47 LEU QB 1 50 THR HA 4.500 . 6.000 4.983 4.847 5.243 . 0 0 "[ . ]" 1
631 1 32 LYS QB 1 45 VAL HA 3.700 . 5.400 5.536 5.390 5.620 0.220 4 0 "[ . ]" 1
632 1 26 ARG QG 1 54 LYS HA 4.400 . 6.000 5.297 4.757 5.486 . 0 0 "[ . ]" 1
633 1 93 SER HA 1 94 GLU HA 3.900 . 5.800 4.154 4.132 4.187 . 0 0 "[ . ]" 1
634 1 94 GLU HA 1 94 GLU QB 2.100 . 2.600 2.198 2.172 2.249 . 0 0 "[ . ]" 1
635 1 94 GLU HA 1 97 ASN H 2.800 . 3.800 3.518 3.401 3.628 . 0 0 "[ . ]" 1
636 1 26 ARG HA 1 30 LEU H 3.400 . 4.800 3.969 3.788 4.187 . 0 0 "[ . ]" 1
637 1 93 SER QB 1 94 GLU HA 4.100 . 6.000 4.686 4.417 5.033 . 0 0 "[ . ]" 1
638 1 94 GLU HA 1 98 GLN H 3.300 . 4.600 4.899 4.839 4.963 0.363 7 0 "[ . ]" 1
639 1 53 GLN HA 1 54 LYS H 3.000 . 4.100 3.487 3.450 3.519 . 0 0 "[ . ]" 1
640 1 32 LYS QD 1 45 VAL HA 4.000 . 6.000 7.802 6.478 8.115 2.115 3 6 "[*-+*** ]" 1
641 1 26 ARG HA 1 26 ARG QD 3.900 . 5.800 3.329 2.622 3.950 . 0 0 "[ . ]" 1
642 1 26 ARG HA 1 26 ARG QB 2.200 . 2.800 2.085 1.985 2.119 . 0 0 "[ . ]" 1
643 1 58 GLN H 1 58 GLN HA 2.700 . 3.600 2.820 2.791 2.862 . 0 0 "[ . ]" 1
644 1 98 GLN HA 1 99 ILE H 3.400 . 4.900 3.507 3.478 3.561 . 0 0 "[ . ]" 1
645 1 97 ASN HB3 1 98 GLN HA 3.700 . 5.400 4.145 3.881 4.364 . 0 0 "[ . ]" 1
646 1 58 GLN HA 1 58 GLN QG 2.700 . 3.600 2.485 2.252 2.633 . 0 0 "[ . ]" 1
647 1 78 GLN HA 1 78 GLN QB 2.600 . 3.400 2.118 1.980 2.333 . 0 0 "[ . ]" 1
648 1 103 LEU HA 1 106 LYS QD 2.300 . 3.000 2.660 2.300 3.121 0.121 2 0 "[ . ]" 1
649 1 91 SER H 1 91 SER HA 2.900 . 3.900 2.119 2.084 2.149 . 0 0 "[ . ]" 1
650 1 6 GLN HA 1 107 GLU HA 4.100 . 6.000 6.143 6.043 6.338 0.338 2 0 "[ . ]" 1
651 1 107 GLU H 1 107 GLU HA 2.500 . 3.300 2.908 2.811 2.946 . 0 0 "[ . ]" 1
652 1 69 LEU HA 1 107 GLU HA 4.100 . 6.000 4.921 4.615 5.347 . 0 0 "[ . ]" 1
653 1 57 LEU MD1 1 91 SER HA 3.600 . 5.200 4.018 3.790 4.341 . 0 0 "[ . ]" 1
654 1 107 GLU HA 1 107 GLU QG 2.700 . 3.600 2.558 2.332 2.741 . 0 0 "[ . ]" 1
655 1 107 GLU HA 1 107 GLU QB 2.500 . 3.300 2.372 2.282 2.473 . 0 0 "[ . ]" 1
656 1 6 GLN QB 1 107 GLU HA 2.400 . 3.100 2.340 2.257 2.417 . 0 0 "[ . ]" 1
657 1 69 LEU QB 1 107 GLU HA 3.700 . 5.400 4.497 4.127 4.765 . 0 0 "[ . ]" 1
658 1 69 LEU MD2 1 107 GLU HA 3.900 . 5.800 4.408 3.114 5.342 . 0 0 "[ . ]" 1
659 1 58 GLN HA 1 58 GLN QE 3.500 . 5.100 3.078 2.993 3.206 . 0 0 "[ . ]" 1
660 1 47 LEU QD 1 58 GLN HA 2.400 . 3.100 2.315 2.283 2.336 . 0 0 "[ . ]" 1
661 1 47 LEU QD 1 58 GLN HA 3.500 . 5.000 4.022 3.835 4.376 . 0 0 "[ . ]" 1
662 1 54 LYS HB3 1 58 GLN HA 3.200 . 4.500 3.763 3.704 3.894 . 0 0 "[ . ]" 1
663 1 78 GLN HA 1 79 TYR H 3.000 . 4.100 3.276 3.214 3.330 . 0 0 "[ . ]" 1
664 1 103 LEU HA 1 103 LEU MD1 3.200 . 4.500 2.724 1.876 3.763 0.024 7 0 "[ . ]" 1
665 1 75 THR HA 1 75 THR MG 2.700 . 3.600 2.174 2.087 2.341 . 0 0 "[ . ]" 1
666 1 81 LEU HG 1 85 GLN HA 3.900 . 5.800 4.853 4.810 4.910 . 0 0 "[ . ]" 1
667 1 85 GLN HA 1 86 ALA H 3.000 . 4.100 3.470 3.421 3.523 . 0 0 "[ . ]" 1
668 1 85 GLN HA 1 85 GLN HG2 2.900 . 4.000 2.991 2.391 3.762 . 0 0 "[ . ]" 1
669 1 85 GLN HA 1 85 GLN HG3 2.500 . 3.300 2.621 2.445 2.793 . 0 0 "[ . ]" 1
670 1 85 GLN HA 1 87 GLN H 3.700 . 5.400 4.006 3.583 4.672 . 0 0 "[ . ]" 1
671 1 47 LEU H 1 52 ASN HA 4.100 . 6.000 7.080 6.785 7.398 1.398 6 7 [**-**+*] 1
672 1 102 GLN H 1 102 GLN HA 2.800 . 3.800 2.205 1.863 2.537 . 0 0 "[ . ]" 1
673 1 27 GLU HA 1 29 LYS HA 3.800 . 5.600 6.258 6.068 6.509 0.909 6 6 "[**- *+*]" 1
674 1 26 ARG QD 1 29 LYS HA 4.300 . 6.000 5.084 3.984 6.077 0.077 7 0 "[ . ]" 1
675 1 29 LYS HA 1 29 LYS QD 2.300 . 3.000 3.644 2.548 3.938 0.938 7 6 "[* -***+]" 1
676 1 58 GLN QE 1 62 LEU HA 4.200 . 6.000 4.691 4.558 4.856 . 0 0 "[ . ]" 1
677 1 35 TYR QE 1 62 LEU HA 4.400 . 6.000 3.960 3.565 4.369 . 0 0 "[ . ]" 1
678 1 18 PHE QB 1 37 THR HA 4.300 . 6.000 3.747 3.390 4.131 . 0 0 "[ . ]" 1
679 1 37 THR HA 1 37 THR MG 2.700 . 3.600 2.913 2.431 3.191 . 0 0 "[ . ]" 1
680 1 2 ASN QB 1 3 GLU HA 3.200 . 4.500 4.345 4.199 4.475 . 0 0 "[ . ]" 1
681 1 85 GLN HA 1 85 GLN QB 2.200 . 2.800 2.396 2.323 2.494 . 0 0 "[ . ]" 1
682 1 69 LEU HA 1 107 GLU H 3.000 . 4.100 2.521 2.265 3.067 . 0 0 "[ . ]" 1
683 1 57 LEU HA 1 61 TYR H 3.200 . 4.500 3.345 3.272 3.433 . 0 0 "[ . ]" 1
684 1 20 VAL HB 1 57 LEU HA 3.800 . 5.600 4.819 4.688 4.990 . 0 0 "[ . ]" 1
685 1 57 LEU HA 1 57 LEU QB 2.300 . 2.900 2.107 2.055 2.175 . 0 0 "[ . ]" 1
686 1 37 THR HA 1 37 THR HB 2.600 . 3.500 2.438 2.299 3.021 . 0 0 "[ . ]" 1
687 1 56 GLU QB 1 77 SER HA 3.700 . 5.400 4.197 4.066 4.362 . 0 0 "[ . ]" 1
688 1 77 SER HA 1 80 ALA H 4.200 . 6.000 4.089 3.730 4.327 . 0 0 "[ . ]" 1
689 1 16 GLU HA 1 17 THR HB 4.500 . 6.000 5.609 5.499 5.668 . 0 0 "[ . ]" 1
690 1 3 GLU H 1 3 GLU HA 2.300 . 3.000 2.201 2.183 2.234 . 0 0 "[ . ]" 1
691 1 19 TYR HA 1 74 VAL H 3.200 . 4.500 3.007 2.771 3.361 . 0 0 "[ . ]" 1
692 1 19 TYR HA 1 36 VAL H 3.200 . 4.500 4.661 4.441 4.881 0.381 5 0 "[ . ]" 1
693 1 19 TYR HA 1 35 TYR QB 3.800 . 5.600 4.821 4.487 5.275 . 0 0 "[ . ]" 1
694 1 106 LYS QE 1 110 TYR HA 4.000 . 6.000 9.633 8.844 10.808 4.808 6 7 [*-***+*] 1
695 1 77 SER HA 1 78 GLN QB 4.000 . 6.000 3.866 3.366 3.994 . 0 0 "[ . ]" 1
696 1 16 GLU HA 1 16 GLU HG3 2.600 . 3.400 2.794 2.251 3.905 0.505 3 1 "[ + . ]" 1
697 1 3 GLU HA 1 5 TYR H 4.300 . 6.000 4.867 4.697 5.174 . 0 0 "[ . ]" 1
698 1 10 GLU H 1 110 TYR HA 3.400 . 4.900 3.593 3.163 4.917 0.017 7 0 "[ . ]" 1
699 1 9 LYS QB 1 110 TYR HA 4.100 . 6.000 4.197 4.006 4.433 . 0 0 "[ . ]" 1
700 1 93 SER HA 1 94 GLU QB 3.300 . 4.600 4.390 4.031 4.768 0.168 3 0 "[ . ]" 1
701 1 92 GLU H 1 93 SER HA 3.100 . 4.300 3.661 3.387 3.907 . 0 0 "[ . ]" 1
702 1 54 LYS QD 1 93 SER HA 4.500 . 6.000 4.322 3.761 5.274 . 0 0 "[ . ]" 1
703 1 35 TYR H 1 43 LYS HA 3.500 . 5.000 4.178 3.977 4.266 . 0 0 "[ . ]" 1
704 1 138 LEU HA 1 138 LEU QD 3.100 . 4.300 2.502 1.952 2.967 . 0 0 "[ . ]" 1
705 1 104 ILE H 1 105 LYS HA 3.900 . 5.800 5.219 5.145 5.317 . 0 0 "[ . ]" 1
706 1 8 GLU QG 1 108 LYS HA 3.600 . 5.100 4.956 3.734 5.715 0.615 3 1 "[ + . ]" 1
707 1 22 GLY H 1 77 SER HA 3.600 . 5.200 5.389 5.276 5.471 0.271 6 0 "[ . ]" 1
708 1 118 LYS HA 1 119 GLY H 3.400 . 4.800 3.238 2.889 3.456 . 0 0 "[ . ]" 1
709 1 41 ARG HA 1 41 ARG HB2 2.700 . 3.600 2.281 2.248 2.364 . 0 0 "[ . ]" 1
710 1 138 LEU HA 1 138 LEU QB 2.600 . 3.400 2.218 2.049 2.491 . 0 0 "[ . ]" 1
711 1 108 LYS HA 1 108 LYS QB 2.300 . 3.000 2.174 2.163 2.182 . 0 0 "[ . ]" 1
712 1 110 TYR H 1 110 TYR HA 2.800 . 3.800 2.884 2.872 2.907 . 0 0 "[ . ]" 1
713 1 110 TYR HA 1 111 LEU HB3 4.300 . 6.000 5.142 4.771 5.391 . 0 0 "[ . ]" 1
714 1 87 GLN HA 1 88 PRO QD 3.300 . 4.600 2.166 2.020 2.254 . 0 0 "[ . ]" 1
715 1 4 LEU HB2 1 87 GLN HA 3.900 . 5.800 5.158 4.901 5.368 . 0 0 "[ . ]" 1
716 1 41 ARG HA 1 41 ARG QG 2.800 . 3.800 2.821 2.641 2.924 . 0 0 "[ . ]" 1
717 1 5 TYR HA 1 103 LEU QB 4.200 . 6.000 5.704 5.155 6.229 0.229 2 0 "[ . ]" 1
718 1 8 GLU H 1 9 LYS HA 4.200 . 6.000 4.621 4.148 4.879 . 0 0 "[ . ]" 1
719 1 43 LYS HA 1 44 VAL H 2.500 . 3.300 2.322 2.302 2.354 . 0 0 "[ . ]" 1
720 1 90 GLN HA 1 97 ASN H 3.300 . 4.700 5.593 5.239 5.771 1.071 5 7 [****+-*] 1
721 1 43 LYS HA 1 43 LYS HB3 2.200 . 2.800 2.278 2.231 2.379 . 0 0 "[ . ]" 1
722 1 8 GLU HA 1 12 ILE MD 3.200 . 4.500 4.076 3.951 4.205 . 0 0 "[ . ]" 1
723 1 4 LEU QD 1 87 GLN HA 3.400 . 4.800 3.645 3.359 3.802 . 0 0 "[ . ]" 1
724 1 4 LEU HB2 1 87 GLN HA 3.800 . 5.600 5.150 4.900 5.395 . 0 0 "[ . ]" 1
725 1 83 ILE HA 1 90 GLN HA 4.000 . 6.000 7.190 7.010 7.374 1.374 4 7 [***+*-*] 1
726 1 90 GLN HA 1 90 GLN QB 2.100 . 2.600 2.164 2.152 2.185 . 0 0 "[ . ]" 1
727 1 43 LYS HA 1 43 LYS QG 3.100 . 4.300 3.207 3.084 3.281 . 0 0 "[ . ]" 1
728 1 8 GLU H 1 8 GLU HA 2.700 . 3.600 2.718 2.643 2.800 . 0 0 "[ . ]" 1
729 1 35 TYR QD 1 43 LYS HA 3.900 . 5.800 5.373 5.069 5.828 0.028 4 0 "[ . ]" 1
730 1 18 PHE HA 1 37 THR HA 2.800 . 3.800 2.643 2.404 2.999 . 0 0 "[ . ]" 1
731 1 4 LEU HA 1 5 TYR QD 4.300 . 6.000 4.102 3.653 4.496 . 0 0 "[ . ]" 1
732 1 4 LEU HA 1 4 LEU HB3 2.400 . 3.100 2.864 2.816 2.925 . 0 0 "[ . ]" 1
733 1 4 LEU HA 1 4 LEU QD 2.500 . 3.300 2.104 1.667 2.597 0.033 1 0 "[ . ]" 1
734 1 59 ALA HA 1 62 LEU HB3 3.500 . 5.000 2.242 1.963 3.194 0.037 2 0 "[ . ]" 1
735 1 47 LEU QD 1 59 ALA HA 2.900 . 4.000 4.017 3.934 4.140 0.140 4 0 "[ . ]" 1
736 1 70 GLU HA 1 108 LYS QE 3.500 . 5.100 5.041 4.150 5.655 0.555 4 1 "[ +. ]" 1
737 1 5 TYR HA 1 5 TYR QB 2.000 . 2.500 2.191 2.186 2.198 . 0 0 "[ . ]" 1
738 1 90 GLN HA 1 91 SER QB 4.500 . 6.000 5.031 4.824 5.346 . 0 0 "[ . ]" 1
739 1 90 GLN HA 1 90 GLN QB 2.500 . 3.300 2.164 2.152 2.185 . 0 0 "[ . ]" 1
740 1 8 GLU HA 1 8 GLU QB 2.600 . 3.400 2.321 2.141 2.414 . 0 0 "[ . ]" 1
741 1 8 GLU HA 1 10 GLU QG 3.200 . 4.500 3.408 2.805 5.060 0.560 7 1 "[ . +]" 1
742 1 3 GLU QG 1 4 LEU HA 3.100 . 4.300 5.319 4.928 5.664 1.364 7 7 [*****-+] 1
743 1 35 TYR H 1 59 ALA HA 3.600 . 5.200 3.207 3.068 3.285 . 0 0 "[ . ]" 1
744 1 9 LYS H 1 110 TYR HA 3.200 . 4.500 3.129 2.044 4.442 . 0 0 "[ . ]" 1
745 1 10 GLU QG 1 110 TYR HA 3.900 . 5.800 4.334 4.087 4.538 . 0 0 "[ . ]" 1
746 1 9 LYS QB 1 110 TYR HA 4.500 . 6.000 3.731 3.539 3.898 . 0 0 "[ . ]" 1
747 1 5 TYR HA 1 104 ILE QG 3.300 . 4.700 4.239 3.437 4.771 0.071 1 0 "[ . ]" 1
748 1 8 GLU HA 1 8 GLU QG 2.600 . 3.400 2.815 2.601 3.073 . 0 0 "[ . ]" 1
749 1 32 LYS H 1 32 LYS HA 3.300 . 4.700 2.873 2.862 2.881 . 0 0 "[ . ]" 1
750 1 32 LYS HA 1 32 LYS QD 3.300 . 4.700 3.805 2.575 4.180 . 0 0 "[ . ]" 1
751 1 32 LYS HA 1 32 LYS QG 3.600 . 5.200 2.769 2.520 3.353 . 0 0 "[ . ]" 1
752 1 32 LYS HA 1 33 ALA H 2.500 . 3.300 2.329 2.252 2.377 . 0 0 "[ . ]" 1
753 1 28 THR H 1 30 LEU HA 4.300 . 6.000 5.274 4.975 5.406 . 0 0 "[ . ]" 1
754 1 25 ASN QB 1 30 LEU HA 4.300 . 6.000 5.366 5.131 5.602 . 0 0 "[ . ]" 1
755 1 90 GLN HA 1 91 SER H 2.000 . 2.500 3.052 2.918 3.126 0.626 7 6 "[*-*** +]" 1
756 1 83 ILE QG 1 90 GLN HA 4.800 . 6.000 9.375 9.015 9.567 3.567 3 7 [**+**-*] 1
757 1 105 LYS QG 1 106 LYS HA 3.300 . 4.600 3.646 3.453 4.087 . 0 0 "[ . ]" 1
758 1 42 GLN HA 1 42 GLN QB 2.900 . 3.900 2.484 2.426 2.534 . 0 0 "[ . ]" 1
759 1 5 TYR HA 1 104 ILE H 4.000 . 6.000 5.861 5.501 6.152 0.152 1 0 "[ . ]" 1
760 1 112 ALA HA 1 113 TRP HA 4.200 . 6.000 4.466 4.397 4.515 . 0 0 "[ . ]" 1
761 1 6 GLN H 1 6 GLN HA 2.100 . 2.600 2.085 2.055 2.143 . 0 0 "[ . ]" 1
762 1 6 GLN HA 1 6 GLN QG 2.600 . 3.500 2.441 2.064 3.377 . 0 0 "[ . ]" 1
763 1 6 GLN HA 1 6 GLN QB 2.400 . 3.100 2.237 2.042 2.341 . 0 0 "[ . ]" 1
764 1 6 GLN HA 1 7 LEU QB 3.700 . 5.400 3.967 3.897 4.057 . 0 0 "[ . ]" 1
765 1 29 LYS QD 1 49 ASP HA 3.200 . 4.500 3.286 2.460 4.178 . 0 0 "[ . ]" 1
766 1 106 LYS HA 1 106 LYS HG3 3.900 . 5.800 3.702 3.643 3.879 . 0 0 "[ . ]" 1
767 1 21 ASP HA 1 56 GLU QG 2.800 . 3.800 4.568 4.385 4.779 0.979 1 7 [+-*****] 1
768 1 6 GLN QG 1 7 LEU HA 3.900 . 5.800 4.135 3.865 4.220 . 0 0 "[ . ]" 1
769 1 30 LEU HA 1 30 LEU QB 2.600 . 3.500 2.157 2.147 2.163 . 0 0 "[ . ]" 1
770 1 26 ARG HA 1 49 ASP HA 4.000 . 6.000 5.089 4.992 5.178 . 0 0 "[ . ]" 1
771 1 77 SER HA 1 80 ALA HA 5.100 . 6.000 6.750 6.344 7.025 1.025 1 6 "[+** -**]" 1
772 1 7 LEU HA 1 7 LEU QB 2.500 . 3.300 2.522 2.495 2.533 . 0 0 "[ . ]" 1
773 1 27 GLU H 1 30 LEU HA 4.700 . 6.000 8.570 8.096 8.771 2.771 1 7 [+**-***] 1
774 1 63 ALA HA 1 66 ASP HA 4.300 . 6.000 6.530 6.274 6.836 0.836 6 3 "[- *+ ]" 1
775 1 24 ALA H 1 30 LEU HA 4.600 . 6.000 6.704 6.605 6.831 0.831 6 7 [****-+*] 1
776 1 47 LEU HA 1 55 THR HB 4.800 . 6.000 5.402 5.310 5.715 . 0 0 "[ . ]" 1
777 1 5 TYR QB 1 7 LEU HA 4.100 . 6.000 5.471 5.281 5.698 . 0 0 "[ . ]" 1
778 1 10 GLU HA 1 11 PRO QG 5.000 . 6.000 4.199 4.069 4.259 . 0 0 "[ . ]" 1
779 1 73 ILE HB 1 111 LEU HA 3.800 . 5.600 3.264 3.071 3.416 . 0 0 "[ . ]" 1
780 1 25 ASN HA 1 26 ARG QB 4.700 . 6.000 4.046 3.995 4.088 . 0 0 "[ . ]" 1
781 1 86 ALA HA 1 86 ALA MB 2.200 . 2.600 2.101 2.081 2.122 . 0 0 "[ . ]" 1
782 1 82 GLY HA2 1 86 ALA HA 4.000 . 6.000 5.214 5.019 5.485 . 0 0 "[ . ]" 1
783 1 76 ASP HA 1 114 VAL H 4.000 . 6.000 4.059 2.243 4.699 . 0 0 "[ . ]" 1
784 1 75 THR HB 1 76 ASP HA 3.500 . 5.000 4.625 4.348 4.772 . 0 0 "[ . ]" 1
785 1 111 LEU HA 1 111 LEU HB3 3.000 . 4.100 2.433 2.025 2.866 . 0 0 "[ . ]" 1
786 1 73 ILE H 1 111 LEU HA 3.400 . 4.900 3.889 3.699 4.033 . 0 0 "[ . ]" 1
787 1 111 LEU HA 1 111 LEU HB2 2.900 . 4.000 2.715 2.518 2.850 . 0 0 "[ . ]" 1
788 1 21 ASP HA 1 34 GLY HA3 3.700 . 5.400 5.579 5.426 5.724 0.324 6 0 "[ . ]" 1
789 1 21 ASP HA 1 21 ASP QB 3.400 . 4.800 2.293 2.273 2.320 . 0 0 "[ . ]" 1
790 1 25 ASN HA 1 25 ASN QB 2.900 . 3.900 2.462 2.270 2.533 . 0 0 "[ . ]" 1
791 1 25 ASN HA 1 27 GLU H 3.700 . 5.400 3.915 3.667 4.040 . 0 0 "[ . ]" 1
792 1 23 ALA HA 1 24 ALA HA 4.100 . 6.000 4.351 4.322 4.363 . 0 0 "[ . ]" 1
793 1 72 ASN HA 1 72 ASN HB3 2.600 . 3.500 2.541 2.497 2.569 . 0 0 "[ . ]" 1
794 1 72 ASN HA 1 73 ILE HB 4.500 . 6.000 4.494 4.407 4.595 . 0 0 "[ . ]" 1
795 1 25 ASN HA 1 31 GLY H 4.400 . 6.000 7.387 7.230 7.543 1.543 1 7 [+***-**] 1
796 1 24 ALA HA 1 55 THR MG 3.400 . 4.900 4.132 3.867 4.876 . 0 0 "[ . ]" 1
797 1 86 ALA HA 1 88 PRO QD 3.800 . 5.600 4.304 4.154 4.526 . 0 0 "[ . ]" 1
798 1 88 PRO QD 1 88 PRO QG 2.300 . 2.900 1.976 1.971 1.980 . 0 0 "[ . ]" 1
799 1 88 PRO QB 1 88 PRO QD 3.500 . 5.100 2.732 2.688 2.779 . 0 0 "[ . ]" 1
800 1 86 ALA MB 1 88 PRO QD 3.100 . 4.300 3.790 3.693 3.907 . 0 0 "[ . ]" 1
801 1 24 ALA HA 1 25 ASN HA 4.100 . 6.000 4.331 4.296 4.351 . 0 0 "[ . ]" 1
802 1 24 ALA HA 1 32 LYS H 3.700 . 5.400 2.672 2.303 2.886 . 0 0 "[ . ]" 1
803 1 33 ALA HA 1 59 ALA MB 3.100 . 4.300 3.272 3.072 3.546 . 0 0 "[ . ]" 1
804 1 33 ALA HA 1 47 LEU QD 3.600 . 5.300 3.606 3.390 4.078 . 0 0 "[ . ]" 1
805 1 11 PRO HD2 1 110 TYR QE 3.300 . 4.700 3.724 3.349 4.328 . 0 0 "[ . ]" 1
806 1 10 GLU QG 1 11 PRO HD2 3.700 . 5.400 3.838 3.360 4.882 . 0 0 "[ . ]" 1
807 1 11 PRO HD3 1 110 TYR QE 2.500 . 3.300 2.963 2.361 4.278 0.978 7 1 "[ . +]" 1
808 1 10 GLU HA 1 11 PRO HD3 2.700 . 3.600 2.883 2.290 3.093 . 0 0 "[ . ]" 1
809 1 10 GLU QB 1 11 PRO HD3 2.400 . 3.100 3.329 3.132 3.948 0.848 7 1 "[ . +]" 1
810 1 34 GLY HA2 1 44 VAL MG1 3.100 . 4.300 3.243 2.550 3.582 . 0 0 "[ . ]" 1
811 1 82 GLY H 1 82 GLY HA2 2.500 . 3.100 2.887 2.882 2.891 . 0 0 "[ . ]" 1
812 1 82 GLY HA2 1 83 ILE H 3.000 . 4.000 3.573 3.547 3.597 . 0 0 "[ . ]" 1
813 1 56 GLU QB 1 82 GLY HA2 2.700 . 3.600 3.588 3.499 3.663 0.063 2 0 "[ . ]" 1
814 1 34 GLY HA2 1 45 VAL H 3.800 . 5.600 3.897 3.728 4.046 . 0 0 "[ . ]" 1
815 1 78 GLN HA 1 82 GLY HA2 3.100 . 4.300 5.251 5.177 5.324 1.024 6 7 [-****+*] 1
816 1 40 GLY H 1 40 GLY HA3 2.600 . 3.400 2.861 2.817 2.941 . 0 0 "[ . ]" 1
817 1 22 GLY QA 1 33 ALA HA 2.500 . 3.300 1.602 1.497 1.716 0.203 6 0 "[ . ]" 1
818 1 133 GLY HA2 1 134 ILE HA 3.400 . 4.900 4.448 4.323 5.002 0.102 6 0 "[ . ]" 1
819 1 39 ARG H 1 40 GLY HA3 4.500 . 6.000 5.008 4.832 5.162 . 0 0 "[ . ]" 1
820 1 26 ARG HA 1 31 GLY QA 3.500 . 5.100 5.164 4.892 5.764 0.664 6 1 "[ .+ ]" 1
821 1 23 ALA MB 1 31 GLY QA 3.800 . 5.600 3.612 3.513 3.762 . 0 0 "[ . ]" 1
822 1 22 GLY QA 1 33 ALA H 3.900 . 5.800 4.019 3.935 4.067 . 0 0 "[ . ]" 1
823 1 47 LEU QB 1 51 THR H 4.000 . 6.000 5.799 5.756 5.863 . 0 0 "[ . ]" 1
824 1 84 ILE QG 1 111 LEU HB3 4.200 . 6.000 5.850 5.218 6.882 0.882 3 1 "[ + . ]" 1
825 1 30 LEU HA 1 47 LEU QB 4.000 . 6.000 2.335 1.963 2.585 0.037 4 0 "[ . ]" 1
826 1 31 GLY QA 1 47 LEU QB 4.100 . 6.000 3.751 3.604 3.915 . 0 0 "[ . ]" 1
827 1 47 LEU QB 1 47 LEU QD 2.500 . 3.300 1.966 1.851 2.079 . 0 0 "[ . ]" 1
828 1 22 GLY QA 1 23 ALA H 2.600 . 3.400 2.060 2.006 2.111 . 0 0 "[ . ]" 1
829 1 22 GLY QA 1 32 LYS QG 3.400 . 4.800 3.499 3.276 3.996 . 0 0 "[ . ]" 1
830 1 121 GLY HA2 1 122 GLY H 3.800 . 5.600 3.461 3.365 3.568 . 0 0 "[ . ]" 1
831 1 11 PRO QB 1 14 GLY QA 3.600 . 5.200 6.803 6.371 8.194 2.994 7 7 [*****-+] 1
832 1 13 VAL QG 1 14 GLY QA 3.900 . 5.800 3.324 2.862 3.960 . 0 0 "[ . ]" 1
833 1 39 ARG QD 1 41 ARG HD2 3.500 . 5.000 4.790 4.317 5.369 0.369 2 0 "[ . ]" 1
834 1 68 GLY HA3 1 69 LEU QB 3.800 . 5.600 4.277 3.762 4.569 . 0 0 "[ . ]" 1
835 1 66 ASP HA 1 68 GLY HA2 3.600 . 5.200 4.965 4.645 5.191 . 0 0 "[ . ]" 1
836 1 30 LEU QB 1 31 GLY H 4.000 . 6.000 3.514 3.416 3.620 . 0 0 "[ . ]" 1
837 1 67 SER HB2 1 68 GLY HA2 4.200 . 6.000 5.360 4.863 6.110 0.110 5 0 "[ . ]" 1
838 1 35 TYR QB 1 59 ALA MB 3.500 . 5.100 3.169 2.737 3.426 . 0 0 "[ . ]" 1
839 1 25 ASN HA 1 30 LEU HB3 2.600 . 3.500 2.281 2.230 2.364 . 0 0 "[ . ]" 1
840 1 26 ARG QD 1 51 THR HB 3.200 . 4.500 4.111 3.644 4.476 . 0 0 "[ . ]" 1
841 1 26 ARG QD 1 50 THR HB 4.300 . 6.000 7.604 6.874 8.135 2.135 6 7 [**-**+*] 1
842 1 26 ARG QD 1 29 LYS QB 4.400 . 6.000 5.689 4.375 6.700 0.700 7 1 "[ . +]" 1
843 1 26 ARG QD 1 29 LYS QG 4.000 . 6.000 4.168 2.580 6.080 0.080 2 0 "[ . ]" 1
844 1 28 THR HB 1 30 LEU QB 3.300 . 4.600 3.105 2.598 3.955 . 0 0 "[ . ]" 1
845 1 25 ASN QB 1 30 LEU QB 1.700 . 2.200 3.776 3.452 4.049 1.849 4 7 [**-+***] 1
846 1 30 LEU HB2 1 30 LEU MD1 2.200 . 2.800 1.858 1.827 1.897 . 0 0 "[ . ]" 1
847 1 35 TYR HA 1 35 TYR QB 3.700 . 5.400 2.155 2.150 2.161 . 0 0 "[ . ]" 1
848 1 108 LYS QE 1 108 LYS QG 3.100 . 4.300 2.212 1.970 2.484 . 0 0 "[ . ]" 1
849 1 35 TYR H 1 35 TYR QB 3.400 . 4.800 3.043 2.966 3.125 . 0 0 "[ . ]" 1
850 1 35 TYR QB 1 35 TYR QD 3.200 . 4.400 2.135 2.124 2.139 . 0 0 "[ . ]" 1
851 1 57 LEU H 1 57 LEU QB 2.900 . 3.900 1.514 1.448 1.652 0.452 4 0 "[ . ]" 1
852 1 57 LEU HA 1 57 LEU QB 2.900 . 3.900 2.506 2.486 2.529 . 0 0 "[ . ]" 1
853 1 57 LEU QB 1 95 LEU QB 2.700 . 2.900 2.551 2.091 2.927 0.027 3 0 "[ . ]" 1
854 1 69 LEU QB 1 107 GLU QG 4.000 . 5.400 3.848 3.519 4.033 . 0 0 "[ . ]" 1
855 1 4 LEU HA 1 4 LEU HB2 2.900 . 4.000 2.819 2.740 2.878 . 0 0 "[ . ]" 1
856 1 4 LEU HB2 1 4 LEU QD 2.300 . 2.900 2.115 1.993 2.218 . 0 0 "[ . ]" 1
857 1 69 LEU QB 1 107 GLU H 3.500 . 5.000 3.658 3.155 4.058 . 0 0 "[ . ]" 1
858 1 69 LEU QB 1 69 LEU QD 2.400 . 3.100 1.875 1.723 1.983 . 0 0 "[ . ]" 1
859 1 69 LEU QB 1 106 LYS HA 3.200 . 4.500 4.882 4.338 5.187 0.687 1 4 "[+ *-. *]" 1
860 1 3 GLU QG 1 4 LEU HB2 4.100 . 6.000 4.331 3.852 4.900 . 0 0 "[ . ]" 1
861 1 35 TYR QB 1 62 LEU HB2 4.100 . 6.000 2.723 1.881 3.513 0.119 7 0 "[ . ]" 1
862 1 54 LYS H 1 54 LYS QE 4.400 . 6.000 2.174 1.858 2.787 0.142 6 0 "[ . ]" 1
863 1 6 GLN HG2 1 106 LYS QE 3.000 . 4.200 6.591 6.310 6.995 2.795 1 7 [+****-*] 1
864 1 43 LYS QD 1 43 LYS QE 1.800 . 2.200 1.707 1.697 1.716 . 0 0 "[ . ]" 1
865 1 43 LYS QE 1 43 LYS QG 2.200 . 2.800 1.749 1.664 1.846 . 0 0 "[ . ]" 1
866 1 29 LYS H 1 29 LYS QE 4.100 . 6.000 4.141 3.366 4.607 . 0 0 "[ . ]" 1
867 1 120 ILE MD 1 123 ASN QB 2.900 . 4.000 3.743 2.272 5.193 1.193 7 3 "[ *- +]" 1
868 1 57 LEU QB 1 58 GLN H 3.600 . 5.200 2.564 2.433 2.768 . 0 0 "[ . ]" 1
869 1 35 TYR QB 1 62 LEU HB3 3.700 . 5.200 3.589 2.882 4.736 . 0 0 "[ . ]" 1
870 1 7 LEU H 1 7 LEU QB 3.100 . 4.300 2.085 2.038 2.156 . 0 0 "[ . ]" 1
871 1 7 LEU QB 1 7 LEU MD2 2.700 . 3.600 2.124 1.868 2.419 . 0 0 "[ . ]" 1
872 1 51 THR HB 1 95 LEU QB 4.700 . 6.000 7.637 6.655 9.080 3.080 6 7 [**-**+*] 1
873 1 57 LEU HA 1 95 LEU QB 2.600 . 3.500 2.423 2.244 2.504 . 0 0 "[ . ]" 1
874 1 106 LYS HE2 1 108 LYS HA 3.200 . 4.500 5.562 4.856 6.447 1.947 6 6 "[* **-+*]" 1
875 1 51 THR HB 1 54 LYS QE 1.800 . 2.200 2.568 1.691 2.844 0.644 6 4 "[** -.+ ]" 1
876 1 43 LYS HA 1 43 LYS QE 3.900 . 5.800 3.768 3.128 4.153 . 0 0 "[ . ]" 1
877 1 102 GLN HA 1 105 LYS QE 3.100 . 4.300 3.586 2.690 4.564 0.264 7 0 "[ . ]" 1
878 1 26 ARG QD 1 54 LYS QE 3.600 . 5.200 5.955 5.562 6.443 1.243 1 5 "[+- *** ]" 1
879 1 101 GLU QG 1 105 LYS QE 2.900 . 4.000 6.774 6.083 7.191 3.191 7 7 [****-*+] 1
880 1 101 GLU QG 1 105 LYS QE 3.000 . 4.100 6.972 6.195 7.425 3.325 7 7 [****-*+] 1
881 1 6 GLN QG 1 106 LYS QE 3.000 . 4.100 5.133 4.901 5.467 1.367 1 7 [+*****-] 1
882 1 42 GLN QB 1 43 LYS QE 3.300 . 4.600 3.527 2.867 4.167 . 0 0 "[ . ]" 1
883 1 6 GLN QB 1 106 LYS QE 2.800 . 3.800 3.564 3.118 4.176 0.376 7 0 "[ . ]" 1
884 1 50 THR MG 1 54 LYS QE 3.000 . 4.200 2.313 1.944 3.119 . 0 0 "[ . ]" 1
885 1 51 THR H 1 54 LYS QE 4.100 . 6.000 3.807 3.586 4.054 . 0 0 "[ . ]" 1
886 1 54 LYS H 1 54 LYS QE 4.400 . 6.000 2.173 1.858 2.785 0.142 6 0 "[ . ]" 1
887 1 18 PHE QB 1 71 VAL HB 3.300 . 4.600 2.668 2.267 3.412 . 0 0 "[ . ]" 1
888 1 57 LEU QB 1 58 GLN QG 4.300 . 6.000 4.488 4.073 4.717 . 0 0 "[ . ]" 1
889 1 7 LEU QB 1 8 GLU H 3.700 . 5.400 3.763 3.657 3.834 . 0 0 "[ . ]" 1
890 1 81 LEU HB2 1 82 GLY H 2.700 . 3.600 2.734 2.543 2.847 . 0 0 "[ . ]" 1
891 1 81 LEU H 1 81 LEU HB2 2.700 . 3.600 2.009 1.860 2.169 . 0 0 "[ . ]" 1
892 1 95 LEU QB 1 96 VAL H 2.600 . 3.500 2.214 2.150 2.308 . 0 0 "[ . ]" 1
893 1 57 LEU MD2 1 95 LEU QB 2.900 . 4.000 2.204 1.892 2.583 . 0 0 "[ . ]" 1
894 1 72 ASN HA 1 72 ASN HB3 3.000 . 4.100 2.617 2.554 2.696 . 0 0 "[ . ]" 1
895 1 120 ILE HB 1 123 ASN QB 3.000 . 4.100 4.649 3.202 5.799 1.699 7 4 "[ - ** +]" 1
896 1 8 GLU QG 1 72 ASN HB2 4.300 . 6.000 5.970 5.790 6.296 0.296 7 0 "[ . ]" 1
897 1 18 PHE QB 1 64 LEU HB2 4.100 . 6.000 5.261 4.781 5.509 . 0 0 "[ . ]" 1
898 1 58 GLN QE 1 62 LEU HB2 3.600 . 5.200 4.970 3.855 5.295 0.095 7 0 "[ . ]" 1
899 1 50 THR HB 1 95 LEU QB 3.700 . 5.400 4.883 3.786 5.768 0.368 2 0 "[ . ]" 1
900 1 54 LYS H 1 95 LEU QB 3.900 . 5.800 6.359 5.996 6.844 1.044 6 3 "[ * -+ ]" 1
901 1 62 LEU HA 1 62 LEU HB2 2.900 . 4.000 2.982 2.821 3.020 . 0 0 "[ . ]" 1
902 1 55 THR HA 1 95 LEU QB 3.500 . 5.100 3.613 3.193 4.209 . 0 0 "[ . ]" 1
903 1 17 THR HA 1 72 ASN HB3 3.200 . 4.500 3.431 3.241 3.793 . 0 0 "[ . ]" 1
904 1 18 PHE QB 1 18 PHE QD 2.900 . 3.800 2.140 2.125 2.164 . 0 0 "[ . ]" 1
905 1 18 PHE HA 1 18 PHE QB 3.000 . 4.100 2.465 2.404 2.513 . 0 0 "[ . ]" 1
906 1 4 LEU QD 1 89 ASP QB 3.900 . 5.800 2.397 2.064 2.722 . 0 0 "[ . ]" 1
907 1 88 PRO HA 1 89 ASP QB 4.000 . 6.000 4.998 4.418 5.352 . 0 0 "[ . ]" 1
908 1 89 ASP HA 1 89 ASP QB 2.500 . 3.300 2.281 2.151 2.456 . 0 0 "[ . ]" 1
909 1 25 ASN QB 1 27 GLU QB 4.500 . 6.000 4.003 3.649 4.294 . 0 0 "[ . ]" 1
910 1 25 ASN QB 1 30 LEU QD 4.300 . 6.000 3.364 3.135 4.050 . 0 0 "[ . ]" 1
911 1 18 PHE QB 1 20 VAL QG 4.300 . 5.400 3.418 3.125 3.563 . 0 0 "[ . ]" 1
912 1 18 PHE QB 1 63 ALA MB 3.500 . 5.000 2.305 1.996 2.601 0.004 4 0 "[ . ]" 1
913 1 18 PHE QB 1 73 ILE MD 3.600 . 5.200 2.893 1.798 3.790 0.202 2 0 "[ . ]" 1
914 1 51 THR H 1 57 LEU QB 4.000 . 6.000 4.138 4.038 4.229 . 0 0 "[ . ]" 1
915 1 64 LEU QB 1 64 LEU QD 3.100 . 4.300 1.743 1.702 1.821 0.198 1 0 "[ . ]" 1
916 1 64 LEU QB 1 73 ILE HB 4.000 . 6.000 6.363 6.100 6.678 0.678 5 2 "[ +- ]" 1
917 1 76 ASP HA 1 76 ASP QB 3.200 . 4.500 2.239 2.174 2.321 . 0 0 "[ . ]" 1
918 1 9 LYS HG2 1 110 TYR HB3 3.900 . 5.800 3.697 3.612 3.783 . 0 0 "[ . ]" 1
919 1 8 GLU QG 1 110 TYR HB3 3.300 . 4.700 2.708 2.072 3.799 . 0 0 "[ . ]" 1
920 1 20 VAL HB 1 56 GLU QG 4.200 . 6.000 5.510 5.295 5.677 . 0 0 "[ . ]" 1
921 1 18 PHE QB 1 73 ILE QG 4.300 . 6.000 2.875 2.532 3.366 . 0 0 "[ . ]" 1
922 1 20 VAL QG 1 73 ILE HB 4.300 . 6.000 4.028 3.735 4.241 . 0 0 "[ . ]" 1
923 1 25 ASN HA 1 25 ASN QB 3.300 . 4.600 2.460 2.269 2.531 . 0 0 "[ . ]" 1
924 1 2 ASN QD 1 89 ASP QB 3.500 . 5.000 8.012 6.719 9.868 4.868 7 7 [*-****+] 1
925 1 4 LEU HB2 1 89 ASP QB 4.200 . 6.000 3.539 2.577 4.074 . 0 0 "[ . ]" 1
926 1 8 GLU QB 1 110 TYR HB2 4.200 . 6.000 4.355 3.650 4.795 . 0 0 "[ . ]" 1
927 1 65 GLN QB 1 66 ASP HB2 5.000 . 6.000 4.211 3.943 4.529 . 0 0 "[ . ]" 1
928 1 49 ASP H 1 49 ASP HB3 3.600 . 5.200 3.919 3.775 4.046 . 0 0 "[ . ]" 1
929 1 48 THR MG 1 49 ASP HB3 4.500 . 6.000 5.611 5.008 5.996 . 0 0 "[ . ]" 1
930 1 5 TYR H 1 5 TYR QB 3.500 . 5.000 3.355 3.138 3.436 . 0 0 "[ . ]" 1
931 1 5 TYR QB 1 104 ILE QG 4.700 . 6.000 2.531 1.421 3.285 0.579 6 1 "[ .+ ]" 1
932 1 5 TYR QB 1 5 TYR QD 2.300 . 2.900 2.129 2.119 2.135 . 0 0 "[ . ]" 1
933 1 18 PHE QR 1 66 ASP HB3 4.200 . 6.000 3.217 2.349 3.664 . 0 0 "[ . ]" 1
934 1 48 THR MG 1 49 ASP HB2 3.500 . 5.000 4.686 4.008 5.149 0.149 1 0 "[ . ]" 1
935 1 108 LYS QB 1 108 LYS QD 2.300 . 3.000 2.130 2.019 2.282 . 0 0 "[ . ]" 1
936 1 18 PHE HZ 1 66 ASP HB2 3.600 . 5.200 4.356 3.919 4.796 . 0 0 "[ . ]" 1
937 1 66 ASP HA 1 66 ASP HB2 2.700 . 3.600 3.015 2.990 3.024 . 0 0 "[ . ]" 1
938 1 63 ALA HA 1 66 ASP HB2 3.900 . 5.800 4.362 4.147 4.718 . 0 0 "[ . ]" 1
939 1 5 TYR QB 1 100 ILE MG 3.700 . 3.900 3.696 3.424 3.915 0.015 3 0 "[ . ]" 1
940 1 8 GLU QG 1 110 TYR HB3 3.600 . 5.200 3.925 2.914 4.408 . 0 0 "[ . ]" 1
941 1 66 ASP HA 1 66 ASP HB3 2.800 . 3.800 2.506 2.378 2.623 . 0 0 "[ . ]" 1
942 1 107 GLU H 1 108 LYS QB 4.700 . 6.000 2.441 2.064 3.053 . 0 0 "[ . ]" 1
943 1 8 GLU QG 1 108 LYS QB 4.000 . 4.300 2.714 1.626 3.479 0.374 7 0 "[ . ]" 1
944 1 108 LYS QB 1 108 LYS QE 3.700 . 5.400 2.853 2.120 3.515 . 0 0 "[ . ]" 1
945 1 5 TYR QB 1 104 ILE QG 4.300 . 6.000 1.978 1.420 2.571 0.480 6 0 "[ . ]" 1
946 1 5 TYR QB 1 101 GLU QG 5.000 . 6.000 6.932 6.290 7.526 1.526 1 5 "[+ *** -]" 1
947 1 53 GLN QE 1 79 TYR HB2 3.100 . 4.300 1.871 1.503 2.678 0.397 7 0 "[ . ]" 1
948 1 58 GLN QG 1 61 TYR QB 4.600 . 6.000 4.190 3.747 4.528 . 0 0 "[ . ]" 1
949 1 5 TYR QB 1 100 ILE QG 4.400 . 6.000 4.136 4.003 4.242 . 0 0 "[ . ]" 1
950 1 5 TYR QB 1 6 GLN QG 4.700 . 6.000 4.479 3.011 5.116 . 0 0 "[ . ]" 1
951 1 5 TYR QB 1 6 GLN QB 4.200 . 6.000 3.529 3.440 3.623 . 0 0 "[ . ]" 1
952 1 5 TYR QB 1 6 GLN HE22 4.300 . 6.000 3.347 2.189 3.996 . 0 0 "[ . ]" 1
953 1 58 GLN QG 1 61 TYR QB 4.100 . 6.000 3.520 3.007 3.871 . 0 0 "[ . ]" 1
954 1 5 TYR QB 1 100 ILE QG 4.300 . 6.000 5.272 5.014 5.466 . 0 0 "[ . ]" 1
955 1 58 GLN QG 1 61 TYR QB 4.100 . 6.000 3.527 3.008 3.887 . 0 0 "[ . ]" 1
956 1 79 TYR HA 1 79 TYR HB2 2.800 . 3.800 2.809 2.750 2.904 . 0 0 "[ . ]" 1
957 1 53 GLN H 1 79 TYR HB2 3.300 . 4.700 3.064 2.887 3.199 . 0 0 "[ . ]" 1
958 1 12 ILE HB 1 108 LYS QB 3.400 . 4.900 2.129 2.018 2.281 . 0 0 "[ . ]" 1
959 1 104 ILE HB 1 104 ILE QG 3.000 . 4.200 2.388 2.341 2.419 . 0 0 "[ . ]" 1
960 1 12 ILE HB 1 72 ASN HD22 3.200 . 4.500 2.467 2.037 2.960 . 0 0 "[ . ]" 1
961 1 2 ASN QB 1 87 GLN QB 3.500 . 5.000 5.567 5.203 5.876 0.876 4 4 "[- *+. *]" 1
962 1 19 TYR QB 1 36 VAL HB 3.300 . 4.700 4.209 2.392 5.513 0.813 6 1 "[ .+ ]" 1
963 1 61 TYR QB 1 61 TYR QD 3.100 . 4.300 2.078 2.044 2.113 . 0 0 "[ . ]" 1
964 1 60 ILE HB 1 95 LEU QB 4.400 . 6.000 4.976 4.484 5.400 . 0 0 "[ . ]" 1
965 1 57 LEU MD1 1 60 ILE HB 2.000 . 2.500 1.922 1.845 2.024 . 0 0 "[ . ]" 1
966 1 57 LEU HA 1 60 ILE HB 2.400 . 3.100 2.118 1.932 2.565 . 0 0 "[ . ]" 1
967 1 60 ILE HB 1 95 LEU QB 3.700 . 5.400 3.364 2.538 3.689 . 0 0 "[ . ]" 1
968 1 57 LEU HG 1 60 ILE HB 3.700 . 5.200 3.663 3.481 3.886 . 0 0 "[ . ]" 1
969 1 32 LYS QB 1 32 LYS QD 3.100 . 4.100 2.153 1.908 2.525 . 0 0 "[ . ]" 1
970 1 101 GLU QB 1 104 ILE HB 4.300 . 6.000 4.707 4.496 5.065 . 0 0 "[ . ]" 1
971 1 57 LEU QB 1 83 ILE HB 3.800 . 5.600 5.642 5.423 5.713 0.113 7 0 "[ . ]" 1
972 1 38 ASN H 1 38 ASN HB3 2.900 . 4.000 2.244 2.186 2.323 . 0 0 "[ . ]" 1
973 1 56 GLU QB 1 79 TYR HB3 4.000 . 6.000 4.905 4.468 5.567 . 0 0 "[ . ]" 1
974 1 57 LEU MD2 1 79 TYR HB3 3.900 . 5.800 3.478 2.450 5.096 . 0 0 "[ . ]" 1
975 1 17 THR HB 1 19 TYR QB 4.100 . 6.000 6.028 5.884 6.082 0.082 1 0 "[ . ]" 1
976 1 20 VAL H 1 60 ILE HB 3.700 . 5.400 4.971 4.863 5.093 . 0 0 "[ . ]" 1
977 1 20 VAL QG 1 60 ILE HB 3.600 . 5.200 3.784 3.272 3.950 . 0 0 "[ . ]" 1
978 1 119 GLY HA2 1 120 ILE HB 3.500 . 5.100 4.050 3.872 4.298 . 0 0 "[ . ]" 1
979 1 120 ILE HB 1 120 ILE MD 2.400 . 3.100 1.923 1.839 2.070 . 0 0 "[ . ]" 1
980 1 83 ILE HB 1 96 VAL HB 4.200 . 6.000 3.699 3.260 4.001 . 0 0 "[ . ]" 1
981 1 32 LYS QB 1 33 ALA H 3.100 . 4.300 2.555 2.469 2.665 . 0 0 "[ . ]" 1
982 1 32 LYS QB 1 46 THR MG 3.000 . 4.100 4.652 4.413 4.834 0.734 2 6 "[*+ **-*]" 1
983 1 83 ILE HB 1 83 ILE MG 2.200 . 2.800 2.094 2.077 2.117 . 0 0 "[ . ]" 1
984 1 83 ILE HB 1 84 ILE HA 3.800 . 5.600 3.686 3.589 3.793 . 0 0 "[ . ]" 1
985 1 69 LEU QB 1 107 GLU QG 3.300 . 4.700 3.245 3.036 3.395 . 0 0 "[ . ]" 1
986 1 69 LEU MD2 1 107 GLU QG 2.900 . 3.900 1.939 1.718 2.319 0.182 3 0 "[ . ]" 1
987 1 83 ILE HB 1 83 ILE MD 3.000 . 4.100 3.058 2.026 3.237 . 0 0 "[ . ]" 1
988 1 101 GLU QG 1 104 ILE QG 3.500 . 5.100 4.001 3.777 4.138 . 0 0 "[ . ]" 1
989 1 107 GLU H 1 107 GLU QG 3.500 . 4.700 4.016 3.916 4.111 . 0 0 "[ . ]" 1
990 1 83 ILE HB 1 88 PRO QG 3.800 . 5.600 3.127 2.583 3.602 . 0 0 "[ . ]" 1
991 1 8 GLU QG 1 12 ILE QG 3.100 . 4.300 1.851 1.553 3.244 0.447 5 0 "[ . ]" 1
992 1 8 GLU QG 1 12 ILE MD 3.100 . 4.300 2.384 1.883 2.673 0.017 4 0 "[ . ]" 1
993 1 3 GLU QG 1 5 TYR H 4.000 . 6.000 5.640 5.343 5.830 . 0 0 "[ . ]" 1
994 1 2 ASN HA 1 3 GLU QG 4.100 . 6.000 5.575 5.324 5.658 . 0 0 "[ . ]" 1
995 1 3 GLU HA 1 3 GLU HG2 2.700 . 3.600 2.080 2.028 2.236 . 0 0 "[ . ]" 1
996 1 56 GLU HA 1 60 ILE QG 3.400 . 4.900 4.054 3.983 4.275 . 0 0 "[ . ]" 1
997 1 69 LEU HA 1 107 GLU QG 4.000 . 6.000 5.093 4.878 5.404 . 0 0 "[ . ]" 1
998 1 3 GLU QG 1 4 LEU H 3.300 . 4.700 3.647 3.426 3.833 . 0 0 "[ . ]" 1
999 1 70 GLU QG 1 71 VAL H 4.400 . 6.000 2.302 2.016 2.649 . 0 0 "[ . ]" 1
1000 1 57 LEU HA 1 60 ILE QG 3.000 . 4.100 2.738 2.217 3.050 . 0 0 "[ . ]" 1
1001 1 60 ILE HG12 1 60 ILE HG13 1.500 . 2.200 1.616 1.607 1.626 . 0 0 "[ . ]" 1
1002 1 3 GLU QG 1 4 LEU HB2 3.000 . 4.100 4.029 3.701 4.643 0.543 2 1 "[ + . ]" 1
1003 1 21 ASP QB 1 60 ILE QG 3.700 . 5.500 3.931 3.131 4.699 . 0 0 "[ . ]" 1
1004 1 20 VAL QG 1 60 ILE QG 3.100 . 4.300 2.338 1.777 2.545 0.123 3 0 "[ . ]" 1
1005 1 2 ASN QB 1 3 GLU QG 4.200 . 6.000 5.199 4.947 5.329 . 0 0 "[ . ]" 1
1006 1 60 ILE QG 1 75 THR HA 3.900 . 5.800 4.364 4.265 4.423 . 0 0 "[ . ]" 1
1007 1 60 ILE QG 1 73 ILE HB 4.000 . 6.000 4.242 4.044 4.670 . 0 0 "[ . ]" 1
1008 1 83 ILE HB 1 84 ILE MG 3.300 . 4.700 4.950 4.804 5.111 0.411 6 0 "[ . ]" 1
1009 1 8 GLU QG 1 108 LYS H 3.800 . 5.600 3.190 2.933 3.801 . 0 0 "[ . ]" 1
1010 1 8 GLU QG 1 70 GLU HA 4.300 . 6.000 5.809 5.374 6.425 0.425 3 0 "[ . ]" 1
1011 1 58 GLN H 1 60 ILE QG 3.800 . 5.600 4.541 4.300 4.648 . 0 0 "[ . ]" 1
1012 1 43 LYS HA 1 44 VAL HB 4.500 . 6.000 4.712 4.153 5.569 . 0 0 "[ . ]" 1
1013 1 108 LYS HA 1 109 VAL HB 2.500 . 3.300 2.455 2.438 2.478 . 0 0 "[ . ]" 1
1014 1 65 GLN QG 1 101 GLU QB 4.200 . 6.000 7.858 7.433 8.673 2.673 6 7 [*-***+*] 1
1015 1 44 VAL HA 1 45 VAL HB 3.700 . 5.400 5.670 5.645 5.682 0.282 5 0 "[ . ]" 1
1016 1 71 VAL HB 1 73 ILE HA 3.600 . 5.200 4.316 4.014 4.425 . 0 0 "[ . ]" 1
1017 1 8 GLU QG 1 109 VAL HB 4.200 . 6.000 5.894 4.942 6.259 0.259 3 0 "[ . ]" 1
1018 1 6 GLN QG 1 109 VAL HB 4.300 . 6.000 5.724 4.923 6.155 0.155 3 0 "[ . ]" 1
1019 1 61 TYR HA 1 65 GLN QG 3.800 . 5.600 4.183 3.944 4.335 . 0 0 "[ . ]" 1
1020 1 58 GLN QE 1 98 GLN QG 4.200 . 6.000 5.029 4.392 5.442 . 0 0 "[ . ]" 1
1021 1 85 GLN HA 1 85 GLN HG2 2.700 . 3.600 2.413 2.238 2.563 . 0 0 "[ . ]" 1
1022 1 85 GLN H 1 85 GLN HG3 4.100 . 6.000 4.287 3.027 4.574 . 0 0 "[ . ]" 1
1023 1 60 ILE MG 1 98 GLN QG 3.500 . 5.100 4.352 3.568 5.058 . 0 0 "[ . ]" 1
1024 1 65 GLN QG 1 98 GLN QG 4.500 . 6.000 5.669 5.064 6.692 0.692 6 2 "[ .+-]" 1
1025 1 7 LEU MD2 1 87 GLN QG 3.200 . 4.500 3.879 2.914 4.657 0.157 4 0 "[ . ]" 1
1026 1 53 GLN HA 1 53 GLN QG 3.100 . 4.300 2.313 2.117 2.561 . 0 0 "[ . ]" 1
1027 1 53 GLN QB 1 53 GLN QG 2.000 . 2.500 2.030 2.009 2.041 . 0 0 "[ . ]" 1
1028 1 103 LEU HA 1 109 VAL HB 4.000 . 6.000 6.911 6.521 7.187 1.187 4 7 [***+**-] 1
1029 1 43 LYS H 1 43 LYS HB2 3.600 . 5.200 3.175 2.726 3.542 . 0 0 "[ . ]" 1
1030 1 53 GLN QE 1 78 GLN QG 3.200 . 4.400 3.935 1.853 5.412 1.012 4 1 "[ +. ]" 1
1031 1 20 VAL HB 1 64 LEU HG 4.600 . 6.000 8.018 7.014 8.324 2.324 7 7 [**-***+] 1
1032 1 6 GLN H 1 6 GLN QG 3.400 . 4.800 2.726 1.847 3.127 0.153 2 0 "[ . ]" 1
1033 1 89 ASP HA 1 90 GLN QG 2.800 . 3.800 4.589 4.105 5.561 1.761 2 4 "[ + *.-*]" 1
1034 1 6 GLN QG 1 103 LEU QB 3.700 . 5.400 4.262 3.531 4.683 . 0 0 "[ . ]" 1
1035 1 87 GLN H 1 87 GLN QG 3.500 . 5.000 2.742 2.206 3.454 . 0 0 "[ . ]" 1
1036 1 98 GLN QG 1 102 GLN QG 3.500 . 5.000 4.848 3.526 6.359 1.359 7 3 "[- .*+]" 1
1037 1 20 VAL HB 1 73 ILE HB 4.600 . 6.000 6.850 6.279 7.223 1.223 6 6 "[-** *+*]" 1
1038 1 20 VAL HB 1 62 LEU HB2 4.300 . 6.000 5.423 4.141 5.876 . 0 0 "[ . ]" 1
1039 1 2 ASN QD 1 87 GLN QG 3.500 . 5.000 3.520 2.038 5.104 0.104 7 0 "[ . ]" 1
1040 1 86 ALA H 1 87 GLN QG 4.100 . 6.000 5.746 5.471 6.164 0.164 4 0 "[ . ]" 1
1041 1 75 THR HB 1 113 TRP QB 3.200 . 4.500 4.271 3.911 4.567 0.067 3 0 "[ . ]" 1
1042 1 90 GLN QB 1 90 GLN QG 1.600 . 2.200 1.981 1.967 2.001 . 0 0 "[ . ]" 1
1043 1 87 GLN HB3 1 87 GLN QG 1.700 . 2.200 1.698 1.663 1.751 . 0 0 "[ . ]" 1
1044 1 9 LYS HA 1 9 LYS QB 2.500 . 3.300 2.281 2.219 2.359 . 0 0 "[ . ]" 1
1045 1 8 GLU QB 1 9 LYS QB 4.000 . 6.000 4.881 4.539 5.576 . 0 0 "[ . ]" 1
1046 1 102 GLN QE 1 105 LYS QB 3.500 . 5.000 4.359 3.332 5.764 0.764 1 1 "[+ . ]" 1
1047 1 7 LEU HA 1 9 LYS QB 4.000 . 6.000 5.313 5.200 5.379 . 0 0 "[ . ]" 1
1048 1 9 LYS QB 1 110 TYR HA 4.300 . 6.000 4.577 4.249 4.946 . 0 0 "[ . ]" 1
1049 1 136 LYS HB3 1 136 LYS QD 2.000 . 2.500 2.490 1.990 3.018 0.518 6 1 "[ .+ ]" 1
1050 1 65 GLN QE 1 102 GLN QG 3.700 . 5.500 2.213 1.628 2.984 0.272 7 0 "[ . ]" 1
1051 1 102 GLN HA 1 102 GLN QG 3.200 . 4.500 2.637 2.399 2.940 . 0 0 "[ . ]" 1
1052 1 102 GLN QB 1 102 GLN QG 2.400 . 3.100 1.981 1.963 2.007 . 0 0 "[ . ]" 1
1053 1 65 GLN QB 1 102 GLN QG 4.000 . 6.000 3.741 3.108 4.394 . 0 0 "[ . ]" 1
1054 1 9 LYS QB 1 81 LEU QD 2.900 . 4.000 4.583 3.921 5.129 1.129 7 4 "[-* .*+]" 1
1055 1 9 LYS QB 1 9 LYS HG3 2.200 . 2.800 2.248 2.131 2.519 . 0 0 "[ . ]" 1
1056 1 52 ASN QB 1 53 GLN HG2 4.100 . 6.000 2.593 1.659 3.093 0.341 4 0 "[ . ]" 1
1057 1 53 GLN QE 1 53 GLN HG2 3.200 . 4.500 2.227 2.140 2.371 . 0 0 "[ . ]" 1
1058 1 52 ASN HA 1 53 GLN QG 3.900 . 5.800 5.535 4.925 6.576 0.776 4 1 "[ +. ]" 1
1059 1 47 LEU HG 1 58 GLN QG 3.200 . 4.500 4.980 4.779 5.206 0.706 2 3 "[ + *- ]" 1
1060 1 25 ASN HA 1 53 GLN HG2 3.900 . 5.800 5.176 5.112 5.241 . 0 0 "[ . ]" 1
1061 1 105 LYS QB 1 105 LYS QG 2.300 . 3.000 2.055 2.023 2.077 . 0 0 "[ . ]" 1
1062 1 136 LYS HB3 1 136 LYS HG3 2.400 . 3.100 2.934 2.837 3.013 . 0 0 "[ . ]" 1
1063 1 20 VAL HB 1 74 VAL H 4.200 . 6.000 4.917 4.292 5.501 . 0 0 "[ . ]" 1
1064 1 20 VAL HB 1 57 LEU HA 4.000 . 6.000 6.075 5.519 6.934 0.934 3 1 "[ + . ]" 1
1065 1 20 VAL HB 1 57 LEU HA 3.700 . 5.400 5.132 4.698 5.568 0.168 4 0 "[ . ]" 1
1066 1 20 VAL HB 1 60 ILE MD 3.300 . 4.600 3.250 1.777 3.697 0.223 3 0 "[ . ]" 1
1067 1 58 GLN HA 1 58 GLN QG 3.100 . 4.300 2.942 2.905 2.974 . 0 0 "[ . ]" 1
1068 1 6 GLN QG 1 104 ILE HA 4.500 . 6.000 4.348 3.983 4.584 . 0 0 "[ . ]" 1
1069 1 47 LEU H 1 58 GLN QG 4.300 . 6.000 3.907 3.850 3.943 . 0 0 "[ . ]" 1
1070 1 33 ALA MB 1 58 GLN QG 2.900 . 3.400 3.070 2.897 3.367 . 0 0 "[ . ]" 1
1071 1 42 GLN QG 1 43 LYS H 4.200 . 6.000 3.427 2.749 4.316 . 0 0 "[ . ]" 1
1072 1 42 GLN HE21 1 42 GLN QG 4.400 . 6.000 2.417 2.105 2.650 . 0 0 "[ . ]" 1
1073 1 9 LYS QB 1 111 LEU HB3 3.500 . 5.100 3.923 2.614 4.791 . 0 0 "[ . ]" 1
1074 1 45 VAL QG 1 58 GLN QG 3.000 . 4.100 1.839 1.657 2.104 0.243 5 0 "[ . ]" 1
1075 1 54 LYS HB2 1 95 LEU HG 2.100 . 2.700 2.195 2.119 2.293 . 0 0 "[ . ]" 1
1076 1 136 LYS HA 1 136 LYS HB2 2.500 . 3.300 2.541 2.380 3.022 . 0 0 "[ . ]" 1
1077 1 118 LYS HB3 1 118 LYS QG 2.900 . 3.900 2.294 2.150 2.468 . 0 0 "[ . ]" 1
1078 1 3 GLU H 1 88 PRO HB3 3.400 . 4.900 3.389 3.175 3.697 . 0 0 "[ . ]" 1
1079 1 9 LYS QB 1 80 ALA MB 4.000 . 6.000 5.486 4.589 6.288 0.288 5 0 "[ . ]" 1
1080 1 42 GLN H 1 42 GLN QB 3.800 . 5.600 2.659 2.338 2.766 . 0 0 "[ . ]" 1
1081 1 31 GLY QA 1 58 GLN QG 4.600 . 6.000 4.695 4.408 4.986 . 0 0 "[ . ]" 1
1082 1 54 LYS HB2 1 54 LYS HE2 3.600 . 5.200 2.317 1.914 2.717 0.086 6 0 "[ . ]" 1
1083 1 51 THR HB 1 54 LYS QB 2.500 . 3.300 3.005 2.492 3.627 0.327 6 0 "[ . ]" 1
1084 1 70 GLU HA 1 70 GLU QB 3.400 . 4.800 2.195 2.155 2.356 . 0 0 "[ . ]" 1
1085 1 70 GLU QB 1 107 GLU QG 3.800 . 5.600 1.700 1.343 1.997 0.657 3 2 "[- + . ]" 1
1086 1 51 THR H 1 58 GLN QG 3.900 . 5.800 8.014 7.866 8.262 2.462 2 7 [*+*-***] 1
1087 1 8 GLU H 1 9 LYS QB 4.100 . 6.000 4.511 4.368 4.771 . 0 0 "[ . ]" 1
1088 1 52 ASN HD21 1 54 LYS QB 4.500 . 6.000 5.365 5.019 5.955 . 0 0 "[ . ]" 1
1089 1 54 LYS H 1 54 LYS QB 2.400 . 3.100 2.181 2.134 2.236 . 0 0 "[ . ]" 1
1090 1 70 GLU HA 1 106 LYS QB 3.300 . 4.700 4.655 4.427 4.839 0.139 3 0 "[ . ]" 1
1091 1 51 THR H 1 54 LYS QB 2.300 . 3.000 1.816 1.472 2.128 0.128 6 0 "[ . ]" 1
1092 1 54 LYS HB2 1 54 LYS QE 3.500 . 5.100 2.308 1.926 2.719 . 0 0 "[ . ]" 1
1093 1 70 GLU QB 1 71 VAL H 4.000 . 6.000 3.342 3.181 3.848 . 0 0 "[ . ]" 1
1094 1 86 ALA MB 1 88 PRO QB 4.000 . 6.000 4.077 3.818 4.571 . 0 0 "[ . ]" 1
1095 1 69 LEU QB 1 70 GLU QB 3.000 . 4.100 2.908 2.723 3.037 . 0 0 "[ . ]" 1
1096 1 41 ARG H 1 41 ARG HB2 3.700 . 5.400 3.315 3.103 3.430 . 0 0 "[ . ]" 1
1097 1 41 ARG HB2 1 41 ARG HD2 3.200 . 4.400 2.815 2.200 3.425 . 0 0 "[ . ]" 1
1098 1 37 THR MG 1 41 ARG HB2 4.100 . 6.000 3.024 2.277 3.812 . 0 0 "[ . ]" 1
1099 1 41 ARG HB3 1 42 GLN H 3.900 . 5.800 4.155 3.988 4.539 . 0 0 "[ . ]" 1
1100 1 135 ARG HB3 1 136 LYS H 3.500 . 5.100 4.453 4.087 4.653 . 0 0 "[ . ]" 1
1101 1 47 LEU QD 1 54 LYS HB3 2.900 . 3.900 2.735 1.727 3.246 0.173 4 0 "[ . ]" 1
1102 1 100 ILE H 1 100 ILE QG 3.200 . 4.500 2.375 2.133 2.539 . 0 0 "[ . ]" 1
1103 1 41 ARG HB3 1 41 ARG HD3 3.600 . 5.200 3.903 3.783 3.985 . 0 0 "[ . ]" 1
1104 1 39 ARG QD 1 41 ARG HB3 4.000 . 6.000 4.035 3.502 4.466 . 0 0 "[ . ]" 1
1105 1 135 ARG HB2 1 135 ARG QD 3.200 . 4.500 3.215 2.176 3.607 . 0 0 "[ . ]" 1
1106 1 8 GLU QB 1 10 GLU QG 3.100 . 4.300 4.633 4.175 6.215 1.915 7 1 "[ . +]" 1
1107 1 8 GLU QB 1 10 GLU QB 3.600 . 5.200 5.894 5.627 6.349 1.149 7 6 "[-* ***+]" 1
1108 1 8 GLU QB 1 108 LYS QB 3.900 . 5.800 1.888 1.471 2.508 0.529 5 1 "[ + ]" 1
1109 1 8 GLU QB 1 12 ILE MD 3.900 . 5.800 3.119 2.735 3.383 . 0 0 "[ . ]" 1
1110 1 87 GLN HA 1 88 PRO QB 4.600 . 6.000 4.786 4.702 4.836 . 0 0 "[ . ]" 1
1111 1 2 ASN QD 1 88 PRO QB 3.500 . 5.100 4.493 4.368 4.622 . 0 0 "[ . ]" 1
1112 1 83 ILE HA 1 88 PRO HB3 3.600 . 5.300 2.596 2.551 2.739 . 0 0 "[ . ]" 1
1113 1 87 GLN H 1 88 PRO QB 3.800 . 5.600 3.932 3.892 3.990 . 0 0 "[ . ]" 1
1114 1 100 ILE HA 1 100 ILE QG 3.300 . 4.700 2.931 2.891 2.996 . 0 0 "[ . ]" 1
1115 1 16 GLU H 1 70 GLU QB 4.100 . 6.000 4.396 4.132 4.553 . 0 0 "[ . ]" 1
1116 1 70 GLU QB 1 108 LYS QG 2.900 . 3.900 1.670 1.628 1.720 0.272 1 0 "[ . ]" 1
1117 1 6 GLN QB 1 107 GLU H 3.100 . 4.300 4.782 4.548 5.108 0.808 2 3 "[ +- . *]" 1
1118 1 6 GLN QB 1 6 GLN HE21 4.200 . 6.000 2.421 1.729 3.998 0.271 7 0 "[ . ]" 1
1119 1 10 GLU HB2 1 11 PRO HB2 2.300 . 2.900 2.687 2.576 2.948 0.048 6 0 "[ . ]" 1
1120 1 8 GLU QB 1 10 GLU HB3 4.500 . 6.000 6.251 5.928 6.942 0.942 7 2 "[ -. +]" 1
1121 1 11 PRO QB 1 11 PRO HD3 3.200 . 4.500 3.013 2.851 3.515 . 0 0 "[ . ]" 1
1122 1 11 PRO QB 1 12 ILE H 4.300 . 5.200 3.311 2.262 3.665 . 0 0 "[ . ]" 1
1123 1 91 SER H 1 100 ILE QG 3.400 . 4.900 5.213 4.999 5.370 0.470 7 0 "[ . ]" 1
1124 1 89 ASP HA 1 100 ILE QG 2.900 . 4.000 2.839 2.497 3.039 . 0 0 "[ . ]" 1
1125 1 4 LEU QD 1 100 ILE QG 3.300 . 4.600 3.494 3.379 3.709 . 0 0 "[ . ]" 1
1126 1 6 GLN QB 1 7 LEU HA 2.800 . 3.800 3.460 3.049 3.756 . 0 0 "[ . ]" 1
1127 1 90 GLN HA 1 96 VAL HB 3.100 . 4.300 5.917 5.577 6.108 1.808 4 7 [***+*-*] 1
1128 1 6 GLN QB 1 104 ILE HA 3.900 . 5.800 1.986 1.834 2.290 0.166 2 0 "[ . ]" 1
1129 1 6 GLN QB 1 6 GLN HE22 3.100 . 4.300 3.092 2.958 3.427 . 0 0 "[ . ]" 1
1130 1 6 GLN QB 1 108 LYS HA 2.700 . 3.600 3.589 3.093 3.984 0.384 2 0 "[ . ]" 1
1131 1 5 TYR QB 1 6 GLN QB 4.100 . 6.000 3.954 3.796 4.175 . 0 0 "[ . ]" 1
1132 1 6 GLN HA 1 6 GLN QB 2.400 . 3.100 2.349 2.138 2.458 . 0 0 "[ . ]" 1
1133 1 10 GLU QB 1 11 PRO HD2 3.400 . 4.800 2.129 1.495 4.727 0.505 1 1 "[+ . ]" 1
1134 1 10 GLU QB 1 10 GLU QG 2.000 . 2.500 2.068 2.060 2.078 . 0 0 "[ . ]" 1
1135 1 12 ILE HB 1 108 LYS QD 2.300 . 3.000 4.082 3.758 4.395 1.395 4 7 [***+*-*] 1
1136 1 97 ASN HA 1 100 ILE QG 2.900 . 3.900 3.408 2.831 3.712 . 0 0 "[ . ]" 1
1137 1 69 LEU QB 1 107 GLU QB 2.600 . 3.500 2.458 2.117 2.791 . 0 0 "[ . ]" 1
1138 1 6 GLN QB 1 108 LYS H 3.100 . 4.300 3.508 3.118 3.737 . 0 0 "[ . ]" 1
1139 1 6 GLN QB 1 107 GLU HA 3.000 . 4.100 3.608 3.408 3.959 . 0 0 "[ . ]" 1
1140 1 6 GLN QB 1 108 LYS HA 3.800 . 5.600 3.344 2.996 3.594 . 0 0 "[ . ]" 1
1141 1 4 LEU HG 1 100 ILE QG 3.700 . 5.400 4.963 4.754 5.120 . 0 0 "[ . ]" 1
1142 1 107 GLU QB 1 108 LYS QG 2.900 . 3.900 2.877 2.479 3.269 . 0 0 "[ . ]" 1
1143 1 6 GLN QB 1 104 ILE QG 4.600 . 6.000 5.348 5.184 5.468 . 0 0 "[ . ]" 1
1144 1 3 GLU HA 1 3 GLU HB3 2.600 . 3.500 2.909 2.771 2.950 . 0 0 "[ . ]" 1
1145 1 6 GLN QB 1 103 LEU QB 3.400 . 4.800 6.647 5.785 7.070 2.270 2 7 [*+***-*] 1
1146 1 6 GLN QB 1 103 LEU QB 3.200 . 4.500 4.785 4.497 5.085 0.585 2 1 "[ + . ]" 1
1147 1 26 ARG H 1 26 ARG QB 2.600 . 3.400 2.180 2.112 2.249 . 0 0 "[ . ]" 1
1148 1 6 GLN QB 1 103 LEU QB 2.800 . 3.800 4.199 4.055 4.287 0.487 3 0 "[ . ]" 1
1149 1 27 GLU H 1 27 GLU QB 3.100 . 3.300 2.182 2.058 2.238 . 0 0 "[ . ]" 1
1150 1 27 GLU QB 1 30 LEU H 4.600 . 6.000 3.510 3.342 3.590 . 0 0 "[ . ]" 1
1151 1 27 GLU QB 1 28 THR H 2.700 . 3.600 2.423 2.329 2.466 . 0 0 "[ . ]" 1
1152 1 38 ASN QD 1 39 ARG HB2 4.100 . 6.000 3.673 3.504 3.807 . 0 0 "[ . ]" 1
1153 1 39 ARG HA 1 39 ARG HB2 2.900 . 3.900 3.008 3.003 3.014 . 0 0 "[ . ]" 1
1154 1 25 ASN QB 1 27 GLU QB 3.400 . 4.800 2.174 2.006 2.368 . 0 0 "[ . ]" 1
1155 1 39 ARG HB2 1 39 ARG QD 3.300 . 4.700 2.184 2.011 2.380 . 0 0 "[ . ]" 1
1156 1 90 GLN QB 1 96 VAL QG 3.800 . 5.700 5.884 5.626 6.122 0.422 1 0 "[ . ]" 1
1157 1 39 ARG H 1 39 ARG HB2 3.200 . 4.100 2.617 2.586 2.642 . 0 0 "[ . ]" 1
1158 1 27 GLU HA 1 27 GLU QB 2.200 . 2.800 1.993 1.969 2.041 . 0 0 "[ . ]" 1
1159 1 25 ASN HA 1 27 GLU QB 4.400 . 6.000 4.732 4.500 4.851 . 0 0 "[ . ]" 1
1160 1 26 ARG HA 1 27 GLU QB 4.300 . 6.000 5.130 5.095 5.152 . 0 0 "[ . ]" 1
1161 1 27 GLU QB 1 28 THR MG 4.600 . 6.000 4.550 3.126 5.013 . 0 0 "[ . ]" 1
1162 1 96 VAL QG 1 100 ILE QG 3.300 . 4.600 3.440 3.323 3.629 . 0 0 "[ . ]" 1
1163 1 101 GLU QB 1 102 GLN H 3.500 . 3.900 2.667 2.590 2.774 . 0 0 "[ . ]" 1
1164 1 98 GLN HA 1 101 GLU QB 3.300 . 4.700 2.907 2.637 3.116 . 0 0 "[ . ]" 1
1165 1 106 LYS HA 1 107 GLU QB 3.700 . 5.400 4.268 4.208 4.296 . 0 0 "[ . ]" 1
1166 1 69 LEU HA 1 107 GLU QB 3.600 . 5.300 3.089 2.887 3.330 . 0 0 "[ . ]" 1
1167 1 70 GLU QG 1 107 GLU QB 2.000 . 2.500 2.894 2.666 3.033 0.533 4 1 "[ +. ]" 1
1168 1 57 LEU MD2 1 96 VAL HB 3.600 . 5.200 3.410 2.850 3.931 . 0 0 "[ . ]" 1
1169 1 92 GLU H 1 96 VAL HB 3.200 . 4.500 2.374 2.133 2.539 . 0 0 "[ . ]" 1
1170 1 6 GLN QB 1 6 GLN QG 1.900 . 2.400 1.782 1.775 1.793 . 0 0 "[ . ]" 1
1171 1 90 GLN QB 1 100 ILE H 3.300 . 4.500 2.841 2.737 2.930 . 0 0 "[ . ]" 1
1172 1 90 GLN H 1 90 GLN QB 3.100 . 4.300 3.274 3.238 3.297 . 0 0 "[ . ]" 1
1173 1 90 GLN QB 1 97 ASN QD 3.600 . 5.100 3.953 3.651 4.078 . 0 0 "[ . ]" 1
1174 1 91 SER QB 1 96 VAL HB 2.500 . 3.300 2.498 2.396 2.539 . 0 0 "[ . ]" 1
1175 1 6 GLN QB 1 103 LEU HA 3.300 . 4.600 3.890 3.847 3.956 . 0 0 "[ . ]" 1
1176 1 16 GLU QB 1 71 VAL MG1 2.500 . 3.300 2.100 1.556 3.026 0.144 4 0 "[ . ]" 1
1177 1 64 LEU QD 1 102 GLN QB . . 3.100 2.906 2.687 3.188 0.088 6 0 "[ . ]" 1
1178 1 3 GLU HB3 1 4 LEU H 3.700 . 5.400 2.210 1.890 2.419 0.110 5 0 "[ . ]" 1
1179 1 15 ALA MB 1 16 GLU HB2 3.700 . 5.400 3.728 3.441 4.269 . 0 0 "[ . ]" 1
1180 1 16 GLU QB 1 71 VAL MG1 2.700 . 3.600 2.331 1.563 3.768 0.237 4 0 "[ . ]" 1
1181 1 26 ARG QB 1 51 THR H 3.900 . 5.800 7.065 6.479 7.999 2.199 6 7 [*****+-] 1
1182 1 26 ARG QB 1 30 LEU H 4.100 . 6.000 5.618 5.432 5.796 . 0 0 "[ . ]" 1
1183 1 3 GLU HB2 1 5 TYR H 4.300 . 6.000 4.590 4.244 4.792 . 0 0 "[ . ]" 1
1184 1 51 THR HB 1 54 LYS QD 3.600 . 4.300 2.749 2.354 2.939 . 0 0 "[ . ]" 1
1185 1 50 THR MG 1 54 LYS QD 3.300 . 4.700 3.669 3.114 4.069 . 0 0 "[ . ]" 1
1186 1 65 GLN QB 1 65 GLN QE 4.200 . 6.000 3.375 2.992 3.544 . 0 0 "[ . ]" 1
1187 1 54 LYS HA 1 54 LYS QD 2.500 . 3.300 2.798 1.791 3.360 0.060 5 0 "[ . ]" 1
1188 1 65 GLN HA 1 65 GLN QB 2.500 . 3.300 2.484 2.453 2.518 . 0 0 "[ . ]" 1
1189 1 10 GLU QB 1 11 PRO QB 2.300 . 3.000 3.381 2.647 3.604 0.604 5 3 "[ +*-]" 1
1190 1 8 GLU QG 1 108 LYS QD 3.600 . 5.200 2.227 1.643 2.716 0.357 4 0 "[ . ]" 1
1191 1 53 GLN HA 1 54 LYS QD 4.100 . 6.000 3.206 1.795 3.726 0.205 7 0 "[ . ]" 1
1192 1 54 LYS QD 1 95 LEU QB 3.200 . 4.400 4.317 3.737 5.330 0.930 6 1 "[ .+ ]" 1
1193 1 57 LEU MD2 1 99 ILE QG 2.800 . 3.800 1.748 1.457 2.333 0.343 3 0 "[ . ]" 1
1194 1 57 LEU H 1 99 ILE HG12 4.300 . 6.000 5.294 4.832 5.633 . 0 0 "[ . ]" 1
1195 1 57 LEU QB 1 99 ILE HG12 3.300 . 4.600 3.289 2.517 3.616 . 0 0 "[ . ]" 1
1196 1 60 ILE MD 1 99 ILE QG 2.800 . 3.800 1.601 1.415 1.822 0.385 3 0 "[ . ]" 1
1197 1 84 ILE HA 1 99 ILE QG 4.300 . 6.000 6.711 6.517 6.941 0.941 2 7 [-+*****] 1
1198 1 60 ILE QG 1 99 ILE QG 3.800 . 5.600 4.669 4.469 4.910 . 0 0 "[ . ]" 1
1199 1 57 LEU QB 1 99 ILE HG12 3.300 . 4.700 3.131 2.485 3.339 . 0 0 "[ . ]" 1
1200 1 31 GLY QA 1 32 LYS HD3 3.400 . 4.800 3.979 2.956 4.872 0.072 5 0 "[ . ]" 1
1201 1 71 VAL H 1 108 LYS QD 4.100 . 6.000 4.937 4.488 5.310 . 0 0 "[ . ]" 1
1202 1 107 GLU QG 1 108 LYS QD 3.600 . 5.200 3.530 3.152 3.820 . 0 0 "[ . ]" 1
1203 1 70 GLU QB 1 108 LYS QD 4.200 . 6.000 3.132 2.813 3.539 . 0 0 "[ . ]" 1
1204 1 32 LYS QD 1 46 THR MG 2.600 . 3.500 5.432 3.779 6.063 2.563 5 6 "[***-+* ]" 1
1205 1 39 ARG HB2 1 39 ARG QD 3.400 . 4.900 2.181 2.008 2.376 . 0 0 "[ . ]" 1
1206 1 27 GLU QB 1 28 THR MG 4.200 . 6.000 4.539 3.125 4.998 . 0 0 "[ . ]" 1
1207 1 105 LYS QG 1 107 GLU QB 4.300 . 6.000 4.354 3.923 4.800 . 0 0 "[ . ]" 1
1208 1 5 TYR QR 1 90 GLN QB 4.700 . 6.000 4.315 3.477 4.891 . 0 0 "[ . ]" 1
1209 1 89 ASP HA 1 90 GLN QB 4.200 . 6.000 4.912 4.654 5.057 . 0 0 "[ . ]" 1
1210 1 94 GLU HB2 1 95 LEU HG 3.600 . 5.200 3.626 3.254 4.085 . 0 0 "[ . ]" 1
1211 1 54 LYS QG 1 94 GLU QB 4.100 . 6.000 5.885 5.460 6.105 0.105 1 0 "[ . ]" 1
1212 1 54 LYS QG 1 94 GLU HB3 4.100 . 6.000 5.156 4.849 5.278 . 0 0 "[ . ]" 1
1213 1 57 LEU HG 1 90 GLN QB 4.300 . 6.000 5.360 5.182 5.476 . 0 0 "[ . ]" 1
1214 1 64 LEU HG 1 102 GLN QB 3.600 . 5.200 3.897 3.780 4.065 . 0 0 "[ . ]" 1
1215 1 102 GLN QB 1 103 LEU HA 3.200 . 4.500 3.905 3.860 3.970 . 0 0 "[ . ]" 1
1216 1 26 ARG QB 1 51 THR MG 4.300 . 6.000 4.001 3.638 4.472 . 0 0 "[ . ]" 1
1217 1 25 ASN HD22 1 26 ARG QB 5.000 . 6.000 5.027 4.557 5.633 . 0 0 "[ . ]" 1
1218 1 26 ARG QB 1 29 LYS QG 3.800 . 5.600 4.632 4.473 5.184 . 0 0 "[ . ]" 1
1219 1 26 ARG QB 1 47 LEU QB 4.000 . 6.000 5.680 5.552 5.828 . 0 0 "[ . ]" 1
1220 1 92 GLU QB 1 93 SER H 3.900 . 5.800 1.551 1.394 1.756 0.606 5 2 "[ - + ]" 1
1221 1 92 GLU H 1 92 GLU QB 3.800 . 5.600 2.809 2.728 2.904 . 0 0 "[ . ]" 1
1222 1 69 LEU H 1 105 LYS QD 4.600 . 6.000 4.731 4.569 5.007 . 0 0 "[ . ]" 1
1223 1 68 GLY H 1 105 LYS QD 3.100 . 4.300 7.023 6.402 8.022 3.722 5 7 [****+*-] 1
1224 1 105 LYS HA 1 105 LYS QD 3.400 . 4.800 3.618 3.347 3.830 . 0 0 "[ . ]" 1
1225 1 65 GLN HA 1 105 LYS QD 3.300 . 4.700 6.088 5.086 6.619 1.919 4 6 [***+.*-] 1
1226 1 54 LYS QD 1 95 LEU H 4.600 . 6.000 3.947 3.853 4.108 . 0 0 "[ . ]" 1
1227 1 54 LYS QD 1 79 TYR QE 3.600 . 5.200 4.610 3.863 5.907 0.707 4 1 "[ +. ]" 1
1228 1 26 ARG QD 1 54 LYS QD 4.400 . 6.000 5.818 5.666 6.286 0.286 6 0 "[ . ]" 1
1229 1 15 ALA H 1 108 LYS QD 3.800 . 5.600 4.061 3.582 4.800 . 0 0 "[ . ]" 1
1230 1 10 GLU QG 1 108 LYS QD 4.000 . 6.000 5.783 5.027 7.254 1.254 7 1 "[ . +]" 1
1231 1 37 THR H 1 43 LYS QD 4.100 . 6.000 5.543 5.340 5.799 . 0 0 "[ . ]" 1
1232 1 136 LYS H 1 136 LYS QD 4.700 . 6.000 4.039 3.309 5.078 . 0 0 "[ . ]" 1
1233 1 27 GLU QB 1 29 LYS QD 3.800 . 5.600 4.937 4.476 5.267 . 0 0 "[ . ]" 1
1234 1 98 GLN QG 1 99 ILE QG 4.700 . 6.000 3.970 3.190 4.708 . 0 0 "[ . ]" 1
1235 1 15 ALA H 1 108 LYS QD 4.100 . 6.000 5.806 5.770 5.859 . 0 0 "[ . ]" 1
1236 1 25 ASN QB 1 32 LYS QD 3.900 . 5.800 6.271 5.990 6.640 0.840 5 3 "[ -* + ]" 1
1237 1 39 ARG HB3 1 39 ARG QD 3.700 . 4.300 2.659 2.345 3.081 . 0 0 "[ . ]" 1
1238 1 8 GLU QB 1 108 LYS QD 4.600 . 6.000 1.900 1.786 2.069 0.214 7 0 "[ . ]" 1
1239 1 37 THR MG 1 39 ARG HB3 4.500 . 6.000 4.307 3.414 5.666 . 0 0 "[ . ]" 1
1240 1 29 LYS QB 1 30 LEU H 4.300 . 6.000 3.851 3.763 3.894 . 0 0 "[ . ]" 1
1241 1 27 GLU QB 1 30 LEU H 3.600 . 5.300 6.279 5.629 6.609 1.309 5 6 "[**- +**]" 1
1242 1 27 GLU QB 1 29 LYS H 4.000 . 6.000 4.507 4.303 4.586 . 0 0 "[ . ]" 1
1243 1 27 GLU QB 1 28 THR HB 3.200 . 4.500 4.637 4.163 4.956 0.456 3 0 "[ . ]" 1
1244 1 90 GLN H 1 90 GLN QB 3.400 . 4.800 3.325 3.265 3.356 . 0 0 "[ . ]" 1
1245 1 3 GLU HB3 1 5 TYR H 3.700 . 5.400 2.142 2.056 2.366 . 0 0 "[ . ]" 1
1246 1 90 GLN HA 1 90 GLN QB 2.900 . 3.900 2.165 2.152 2.186 . 0 0 "[ . ]" 1
1247 1 65 GLN H 1 102 GLN QB 4.600 . 6.000 5.273 4.773 5.652 . 0 0 "[ . ]" 1
1248 1 54 LYS QD 1 61 TYR QB 3.600 . 5.200 5.518 5.227 5.741 0.541 6 2 "[ .+-]" 1
1249 1 83 ILE H 1 84 ILE QG 4.400 . 6.000 5.716 5.335 5.888 . 0 0 "[ . ]" 1
1250 1 102 GLN H 1 105 LYS QD 4.300 . 6.000 6.284 5.097 6.861 0.861 7 3 "[ -*+]" 1
1251 1 61 TYR H 1 99 ILE QG 4.400 . 6.000 2.639 2.424 2.846 . 0 0 "[ . ]" 1
1252 1 29 LYS QB 1 49 ASP H 4.700 . 6.000 2.542 2.281 3.091 . 0 0 "[ . ]" 1
1253 1 29 LYS QB 1 29 LYS QE 4.800 . 6.000 3.367 2.527 3.683 . 0 0 "[ . ]" 1
1254 1 54 LYS QE 1 92 GLU QB 4.000 . 6.000 6.454 6.062 6.729 0.729 1 4 "[+- *.* ]" 1
1255 1 101 GLU QB 1 104 ILE QG 3.300 . 4.600 4.298 3.910 4.386 . 0 0 "[ . ]" 1
1256 1 100 ILE MG 1 101 GLU QB 3.500 . 5.000 4.388 4.209 4.541 . 0 0 "[ . ]" 1
1257 1 61 TYR QD 1 101 GLU QB 3.900 . 5.800 5.988 5.784 6.257 0.457 6 0 "[ . ]" 1
1258 1 64 LEU QD 1 101 GLU QB 3.900 . 5.800 4.889 4.833 4.984 . 0 0 "[ . ]" 1
1259 1 82 GLY H 1 85 GLN QB 3.100 . 4.300 4.545 4.348 4.671 0.371 4 0 "[ . ]" 1
1260 1 58 GLN QE 1 94 GLU HB2 4.100 . 6.000 8.959 8.303 9.868 3.868 7 7 [****-*+] 1
1261 1 94 GLU QB 1 95 LEU QB 3.700 . 5.400 3.488 3.141 3.748 . 0 0 "[ . ]" 1
1262 1 65 GLN QE 1 102 GLN QB 5.800 . 6.000 3.812 3.128 4.712 . 0 0 "[ . ]" 1
1263 1 52 ASN HD22 1 54 LYS QD 4.400 . 6.000 5.353 5.040 5.722 . 0 0 "[ . ]" 1
1264 1 29 LYS QD 1 50 THR H 4.200 . 6.000 4.678 3.923 5.205 . 0 0 "[ . ]" 1
1265 1 105 LYS H 1 105 LYS QD 3.300 . 4.700 4.251 3.787 4.468 . 0 0 "[ . ]" 1
1266 1 6 GLN HE21 1 104 ILE QG 4.100 . 6.000 3.578 3.086 4.049 . 0 0 "[ . ]" 1
1267 1 29 LYS QD 1 31 GLY QA 4.100 . 6.000 8.320 7.644 8.651 2.651 5 7 [*-**+**] 1
1268 1 25 ASN HD21 1 29 LYS QD 4.600 . 6.000 6.398 5.941 6.994 0.994 4 3 "[ +- *]" 1
1269 1 6 GLN H 1 102 GLN QB 5.100 . 6.000 8.786 8.525 9.206 3.206 7 7 [****-*+] 1
1270 1 61 TYR HA 1 102 GLN QB 4.500 . 6.000 4.176 3.864 4.514 . 0 0 "[ . ]" 1
1271 1 29 LYS QB 1 47 LEU HA 4.000 . 6.000 6.027 5.999 6.056 0.056 6 0 "[ . ]" 1
1272 1 26 ARG HA 1 29 LYS QB 4.500 . 6.000 4.338 4.203 4.474 . 0 0 "[ . ]" 1
1273 1 84 ILE QG 1 85 GLN QB 2.600 . 3.500 5.864 5.778 6.095 2.595 4 7 [-**+***] 1
1274 1 56 GLU QB 1 58 GLN H 4.600 . 6.000 4.988 4.886 5.071 . 0 0 "[ . ]" 1
1275 1 33 ALA MB 1 56 GLU QB 4.200 . 6.000 4.822 4.728 4.950 . 0 0 "[ . ]" 1
1276 1 9 LYS QB 1 9 LYS QD 2.600 . 3.500 2.355 2.067 2.666 . 0 0 "[ . ]" 1
1277 1 54 LYS QD 1 93 SER H 3.900 . 5.800 5.227 4.331 5.759 . 0 0 "[ . ]" 1
1278 1 53 GLN H 1 54 LYS QD 3.200 . 4.400 3.391 3.322 3.549 . 0 0 "[ . ]" 1
1279 1 64 LEU HA 1 65 GLN QB 3.700 . 5.400 3.889 3.711 4.005 . 0 0 "[ . ]" 1
1280 1 51 THR MG 1 54 LYS QD 1.500 . 2.200 1.757 1.756 1.760 . 0 0 "[ . ]" 1
1281 1 84 ILE QG 1 84 ILE MG 2.300 . 2.900 2.109 2.033 2.204 . 0 0 "[ . ]" 1
1282 1 84 ILE QG 1 85 GLN H 3.300 . 4.700 4.685 4.471 4.779 0.079 2 0 "[ . ]" 1
1283 1 54 LYS QD 1 93 SER H 3.900 . 5.800 5.218 4.330 5.745 . 0 0 "[ . ]" 1
1284 1 54 LYS HA 1 54 LYS QD 2.200 . 2.800 2.252 1.789 2.454 . 0 0 "[ . ]" 1
1285 1 29 LYS QD 1 30 LEU H 3.900 . 5.800 4.950 4.561 5.295 . 0 0 "[ . ]" 1
1286 1 43 LYS QD 1 43 LYS HG2 1.600 . 2.200 1.810 1.775 1.834 . 0 0 "[ . ]" 1
1287 1 105 LYS QD 1 106 LYS H 3.500 . 5.000 5.135 4.775 5.454 0.454 1 0 "[ . ]" 1
1288 1 29 LYS QD 1 49 ASP HA 3.200 . 4.500 2.464 1.869 2.985 0.031 6 0 "[ . ]" 1
1289 1 27 GLU H 1 29 LYS HD2 3.600 . 5.200 3.237 2.977 3.616 . 0 0 "[ . ]" 1
1290 1 42 GLN QB 1 43 LYS HD3 4.000 . 6.000 3.296 2.519 3.633 . 0 0 "[ . ]" 1
1291 1 64 LEU H 1 99 ILE QG 5.000 . 6.000 4.780 4.645 4.899 . 0 0 "[ . ]" 1
1292 1 102 GLN H 1 102 GLN QB 2.700 . 3.600 2.010 1.818 2.339 . 0 0 "[ . ]" 1
1293 1 63 ALA H 1 99 ILE HG12 4.600 . 6.000 6.047 5.927 6.147 0.147 7 0 "[ . ]" 1
1294 1 65 GLN HA 1 102 GLN QB 3.800 . 5.600 4.335 3.684 4.937 . 0 0 "[ . ]" 1
1295 1 102 GLN QB 1 103 LEU MD1 3.400 . 4.900 4.959 4.514 5.318 0.418 1 0 "[ . ]" 1
1296 1 6 GLN QB 1 104 ILE QG 3.900 . 5.800 4.176 4.015 4.303 . 0 0 "[ . ]" 1
1297 1 5 TYR QD 1 104 ILE QG 4.200 . 6.000 2.534 2.231 2.739 . 0 0 "[ . ]" 1
1298 1 83 ILE QG 1 92 GLU H 3.800 . 5.600 6.548 6.397 6.928 1.328 7 7 [****-*+] 1
1299 1 83 ILE QG 1 96 VAL HB 3.900 . 5.800 5.233 4.782 5.525 . 0 0 "[ . ]" 1
1300 1 83 ILE QG 1 84 ILE H 3.900 . 5.800 3.138 2.895 3.374 . 0 0 "[ . ]" 1
1301 1 56 GLU HB3 1 57 LEU MD2 3.400 . 4.800 3.414 2.692 4.335 . 0 0 "[ . ]" 1
1302 1 7 LEU MD2 1 85 GLN QB 3.800 . 5.600 4.033 3.363 4.302 . 0 0 "[ . ]" 1
1303 1 47 LEU QD 1 56 GLU HB2 3.900 . 5.800 2.775 2.495 2.950 . 0 0 "[ . ]" 1
1304 1 5 TYR QR 1 104 ILE QG 3.800 . 5.600 2.494 2.212 2.679 . 0 0 "[ . ]" 1
1305 1 104 ILE H 1 104 ILE QG 2.100 . 2.700 1.891 1.635 2.115 . 0 0 "[ . ]" 1
1306 1 104 ILE QG 1 105 LYS H 3.100 . 4.300 3.755 3.598 3.950 . 0 0 "[ . ]" 1
1307 1 5 TYR QD 1 104 ILE QG 4.200 . 6.000 2.532 2.230 2.735 . 0 0 "[ . ]" 1
1308 1 64 LEU HA 1 102 GLN QB 4.500 . 6.000 4.502 4.284 4.650 . 0 0 "[ . ]" 1
1309 1 18 PHE QB 1 64 LEU HG 3.900 . 5.800 5.625 5.507 5.861 0.061 1 0 "[ . ]" 1
1310 1 103 LEU QB 1 104 ILE QG 3.800 . 5.600 3.354 3.215 3.518 . 0 0 "[ . ]" 1
1311 1 81 LEU HA 1 84 ILE QG 2.700 . 3.600 6.218 5.647 6.436 2.836 7 7 [***-**+] 1
1312 1 5 TYR H 1 104 ILE QG 3.600 . 5.200 3.950 3.603 4.108 . 0 0 "[ . ]" 1
1313 1 83 ILE QG 1 84 ILE HA 4.800 . 6.000 4.890 4.759 5.091 . 0 0 "[ . ]" 1
1314 1 12 ILE QG 1 70 GLU QB 4.400 . 6.000 4.475 3.708 5.960 . 0 0 "[ . ]" 1
1315 1 19 TYR QD 1 73 ILE HG12 4.300 . 6.000 6.475 5.853 6.861 0.861 3 4 "[**+ . -]" 1
1316 1 98 GLN H 1 98 GLN QB 3.100 . 4.300 2.164 2.063 2.263 . 0 0 "[ . ]" 1
1317 1 2 ASN QD 1 87 GLN HB3 3.800 . 5.600 4.801 4.058 5.529 . 0 0 "[ . ]" 1
1318 1 98 GLN QB 1 102 GLN QE 4.400 . 6.000 3.599 3.121 4.037 . 0 0 "[ . ]" 1
1319 1 102 GLN QE 1 104 ILE QG 4.400 . 6.000 6.033 5.759 6.205 0.205 6 0 "[ . ]" 1
1320 1 60 ILE HA 1 64 LEU HG 4.000 . 6.000 5.873 5.683 6.134 0.134 2 0 "[ . ]" 1
1321 1 82 GLY HA2 1 83 ILE QG 3.300 . 4.600 3.189 3.052 3.264 . 0 0 "[ . ]" 1
1322 1 83 ILE QG 1 91 SER QB 3.400 . 4.900 5.706 5.316 6.406 1.506 4 5 "[* *+- *]" 1
1323 1 83 ILE QG 1 83 ILE MG 2.700 . 3.600 2.262 1.874 2.417 . 0 0 "[ . ]" 1
1324 1 83 ILE H 1 83 ILE QG 3.000 . 4.100 1.734 1.428 1.952 0.472 7 0 "[ . ]" 1
1325 1 83 ILE HA 1 83 ILE QG 3.000 . 4.200 3.212 3.086 3.279 . 0 0 "[ . ]" 1
1326 1 80 ALA MB 1 83 ILE QG 4.200 . 6.000 4.271 4.039 4.554 . 0 0 "[ . ]" 1
1327 1 12 ILE QG 1 108 LYS QB 2.900 . 4.000 3.919 3.137 4.477 0.477 1 0 "[ . ]" 1
1328 1 60 ILE QG 1 73 ILE QG 3.600 . 5.200 4.669 3.817 5.109 . 0 0 "[ . ]" 1
1329 1 82 GLY H 1 85 GLN HB2 3.600 . 5.200 3.547 2.815 3.828 . 0 0 "[ . ]" 1
1330 1 56 GLU QB 1 77 SER QB 2.600 . 3.400 2.415 2.125 2.815 . 0 0 "[ . ]" 1
1331 1 33 ALA MB 1 56 GLU QB 3.600 . 5.200 4.576 4.521 4.656 . 0 0 "[ . ]" 1
1332 1 61 TYR QB 1 98 GLN QB 5.200 . 6.000 3.669 3.512 3.834 . 0 0 "[ . ]" 1
1333 1 87 GLN H 1 87 GLN QB 3.700 . 5.400 3.112 2.761 3.251 . 0 0 "[ . ]" 1
1334 1 87 GLN H 1 88 PRO QG 5.100 . 6.000 4.837 4.612 5.249 . 0 0 "[ . ]" 1
1335 1 53 GLN QB 1 77 SER HB3 4.000 . 6.000 2.638 1.880 3.698 0.120 3 0 "[ . ]" 1
1336 1 30 LEU HG 1 32 LYS QE 3.300 . 4.600 8.320 6.625 9.339 4.739 4 7 [***+**-] 1
1337 1 57 LEU HA 1 64 LEU HG 4.500 . 6.000 9.047 8.864 9.302 3.302 4 7 [-**+***] 1
1338 1 10 GLU QG 1 12 ILE QG 4.300 . 5.200 4.899 4.418 5.618 0.418 7 0 "[ . ]" 1
1339 1 12 ILE HA 1 12 ILE QG 3.700 . 5.400 2.619 2.468 3.087 . 0 0 "[ . ]" 1
1340 1 12 ILE H 1 12 ILE QG 3.900 . 4.600 1.942 1.704 2.087 0.296 7 0 "[ . ]" 1
1341 1 58 GLN QB 1 61 TYR QB 4.300 . 6.000 4.594 4.464 4.869 . 0 0 "[ . ]" 1
1342 1 86 ALA HA 1 87 GLN HB3 3.600 . 5.200 5.450 4.771 5.648 0.448 3 0 "[ . ]" 1
1343 1 87 GLN HB3 1 87 GLN HE22 4.900 . 6.000 4.875 4.252 5.096 . 0 0 "[ . ]" 1
1344 1 87 GLN HB2 1 87 GLN HE22 4.700 . 6.000 4.067 3.532 5.215 . 0 0 "[ . ]" 1
1345 1 3 GLU HA 1 87 GLN HB2 3.000 . 4.100 4.363 3.885 5.034 0.934 5 2 "[ +- ]" 1
1346 1 87 GLN HB2 1 87 GLN QG 2.100 . 2.600 1.894 1.857 1.943 . 0 0 "[ . ]" 1
1347 1 26 ARG QG 1 51 THR HB 4.500 . 6.000 4.242 3.974 4.718 . 0 0 "[ . ]" 1
1348 1 87 GLN HA 1 88 PRO QG 4.700 . 6.000 4.047 3.832 4.142 . 0 0 "[ . ]" 1
1349 1 61 TYR QE 1 98 GLN QB 3.000 . 4.100 4.830 4.419 5.379 1.279 4 6 "[***+*- ]" 1
1350 1 7 LEU HA 1 7 LEU HG 3.600 . 5.200 2.302 2.099 2.598 . 0 0 "[ . ]" 1
1351 1 69 LEU HG 1 106 LYS HA 4.300 . 6.000 5.502 4.598 7.025 1.025 4 2 "[ +. -]" 1
1352 1 9 LYS QB 1 111 LEU HG 4.000 . 6.000 4.100 3.286 5.000 . 0 0 "[ . ]" 1
1353 1 111 LEU H 1 111 LEU HG 4.500 . 6.000 4.413 4.092 4.737 . 0 0 "[ . ]" 1
1354 1 111 LEU HB2 1 111 LEU HG 2.100 . 2.600 2.733 2.384 2.936 0.336 6 0 "[ . ]" 1
1355 1 12 ILE QG 1 72 ASN HD21 4.300 . 6.000 3.529 2.662 4.413 . 0 0 "[ . ]" 1
1356 1 73 ILE QG 1 75 THR H 4.800 . 6.000 6.345 5.995 6.627 0.627 5 2 "[- + ]" 1
1357 1 67 SER H 1 73 ILE QG 4.600 . 6.000 6.039 5.996 6.083 0.083 2 0 "[ . ]" 1
1358 1 73 ILE QG 1 75 THR HA 4.000 . 6.000 7.143 6.506 7.448 1.448 5 7 [***-+**] 1
1359 1 26 ARG QG 1 29 LYS H 3.100 . 4.300 2.680 2.380 2.795 . 0 0 "[ . ]" 1
1360 1 24 ALA MB 1 26 ARG QG 3.700 . 5.400 3.557 3.053 4.115 . 0 0 "[ . ]" 1
1361 1 83 ILE QG 1 88 PRO QG 3.300 . 4.700 4.764 4.483 5.151 0.451 4 0 "[ . ]" 1
1362 1 83 ILE MD 1 88 PRO QG 4.500 . 6.000 5.004 3.236 5.550 . 0 0 "[ . ]" 1
1363 1 7 LEU HG 1 8 GLU H 3.900 . 5.800 4.134 3.820 4.505 . 0 0 "[ . ]" 1
1364 1 7 LEU H 1 7 LEU HG 2.800 . 3.700 3.883 3.469 4.001 0.301 5 0 "[ . ]" 1
1365 1 26 ARG QG 1 27 GLU HA 4.000 . 6.000 4.278 3.575 5.030 . 0 0 "[ . ]" 1
1366 1 26 ARG QG 1 51 THR MG 4.400 . 6.000 2.358 1.995 2.644 0.005 2 0 "[ . ]" 1
1367 1 78 GLN H 1 78 GLN QB 3.700 . 5.400 2.394 2.127 2.882 . 0 0 "[ . ]" 1
1368 1 39 ARG H 1 39 ARG QG 3.300 . 4.700 2.078 2.020 2.170 . 0 0 "[ . ]" 1
1369 1 41 ARG H 1 41 ARG QG 2.900 . 4.000 3.734 3.626 3.941 . 0 0 "[ . ]" 1
1370 1 53 GLN QB 1 79 TYR QD 3.400 . 4.800 3.058 2.478 3.544 . 0 0 "[ . ]" 1
1371 1 51 THR HB 1 53 GLN QB 2.600 . 3.400 3.510 3.221 3.975 0.575 6 1 "[ .+ ]" 1
1372 1 41 ARG HD2 1 41 ARG QG 2.400 . 3.100 2.287 2.138 2.453 . 0 0 "[ . ]" 1
1373 1 47 LEU H 1 47 LEU HG 4.300 . 6.000 3.958 3.536 4.074 . 0 0 "[ . ]" 1
1374 1 47 LEU HG 1 58 GLN H 5.000 . 6.000 5.357 5.241 5.585 . 0 0 "[ . ]" 1
1375 1 82 GLY H 1 111 LEU HG 4.300 . 6.000 7.952 6.376 9.749 3.749 5 6 "[** -+**]" 1
1376 1 77 SER QB 1 111 LEU HG 4.700 . 6.000 6.007 5.108 7.243 1.243 5 1 "[ + ]" 1
1377 1 54 LYS QG 1 94 GLU QG 4.400 . 6.000 4.546 3.683 5.142 . 0 0 "[ . ]" 1
1378 1 120 ILE HB 1 120 ILE QG 3.900 . 5.800 2.456 2.185 2.539 . 0 0 "[ . ]" 1
1379 1 12 ILE QG 1 110 TYR HA 4.400 . 6.000 3.764 3.433 4.050 . 0 0 "[ . ]" 1
1380 1 32 LYS QG 1 45 VAL H 4.700 . 6.000 5.380 5.018 5.998 . 0 0 "[ . ]" 1
1381 1 63 ALA H 1 73 ILE QG 5.000 . 6.000 5.368 4.372 5.912 . 0 0 "[ . ]" 1
1382 1 62 LEU HB2 1 62 LEU HG 2.600 . 3.400 2.491 2.367 2.558 . 0 0 "[ . ]" 1
1383 1 26 ARG QG 1 30 LEU H 4.200 . 6.000 5.782 5.680 5.872 . 0 0 "[ . ]" 1
1384 1 26 ARG QG 1 52 ASN HA 4.000 . 6.000 3.733 2.905 4.784 . 0 0 "[ . ]" 1
1385 1 39 ARG HB2 1 39 ARG QG 2.900 . 3.900 2.442 2.366 2.484 . 0 0 "[ . ]" 1
1386 1 53 GLN QB 1 56 GLU QB 3.500 . 5.000 3.892 3.775 4.058 . 0 0 "[ . ]" 1
1387 1 47 LEU QD 1 47 LEU HG 1.900 . 2.400 1.871 1.863 1.879 . 0 0 "[ . ]" 1
1388 1 47 LEU HG 1 51 THR H 3.400 . 4.900 6.183 4.922 6.447 1.547 3 6 "[**+ **-]" 1
1389 1 47 LEU HG 1 52 ASN HA 3.500 . 5.000 5.096 4.924 5.397 0.397 4 0 "[ . ]" 1
1390 1 47 LEU HG 1 54 LYS H 3.700 . 5.400 6.205 6.162 6.271 0.871 6 7 [*****+-] 1
1391 1 61 TYR QB 1 95 LEU HG 4.800 . 6.000 4.926 4.052 6.964 0.964 2 2 "[ + .- ]" 1
1392 1 54 LYS HA 1 54 LYS QG 2.700 . 3.600 2.176 2.042 2.748 . 0 0 "[ . ]" 1
1393 1 54 LYS QB 1 58 GLN QB 3.200 . 4.500 4.322 4.134 4.443 . 0 0 "[ . ]" 1
1394 1 47 LEU QD 1 51 THR H 3.900 . 5.800 4.001 3.437 4.214 . 0 0 "[ . ]" 1
1395 1 64 LEU MD1 1 64 LEU MD2 2.700 . 3.600 1.984 1.893 2.059 . 0 0 "[ . ]" 1
1396 1 87 GLN HB3 1 87 GLN HE21 4.000 . 6.000 3.887 3.432 4.110 . 0 0 "[ . ]" 1
1397 1 6 GLN HA 1 7 LEU HG 4.500 . 6.000 5.740 5.398 5.896 . 0 0 "[ . ]" 1
1398 1 10 GLU QB 1 11 PRO QG 2.500 . 3.300 2.142 2.076 2.214 . 0 0 "[ . ]" 1
1399 1 102 GLN H 1 106 LYS QD 4.300 . 6.000 6.393 5.791 6.762 0.762 2 3 "[ +- . *]" 1
1400 1 104 ILE H 1 106 LYS QD 4.000 . 6.000 5.780 5.481 6.067 0.067 2 0 "[ . ]" 1
1401 1 55 THR HA 1 95 LEU HG 3.500 . 5.000 5.208 4.077 5.655 0.655 7 3 "[- *. +]" 1
1402 1 57 LEU QB 1 95 LEU HG 3.600 . 5.200 3.148 2.145 4.130 . 0 0 "[ . ]" 1
1403 1 6 GLN QG 1 103 LEU HG 4.200 . 6.000 5.588 4.321 6.537 0.537 1 1 "[+ . ]" 1
1404 1 51 THR H 1 54 LYS QG 4.600 . 6.000 2.881 2.104 3.173 . 0 0 "[ . ]" 1
1405 1 57 LEU HG 1 95 LEU H 5.200 . 6.000 5.138 4.762 5.989 . 0 0 "[ . ]" 1
1406 1 57 LEU QB 1 57 LEU HG 3.100 . 4.300 2.170 2.135 2.246 . 0 0 "[ . ]" 1
1407 1 15 ALA H 1 108 LYS QG 4.400 . 6.000 6.399 6.140 6.993 0.993 4 2 "[ +.- ]" 1
1408 1 6 GLN HA 1 108 LYS QG 4.900 . 6.000 5.222 4.894 5.485 . 0 0 "[ . ]" 1
1409 1 64 LEU QD 1 103 LEU MD1 3.900 . 5.800 2.044 1.684 2.569 0.316 3 0 "[ . ]" 1
1410 1 58 GLN QB 1 59 ALA H 3.400 . 4.800 2.456 2.358 2.643 . 0 0 "[ . ]" 1
1411 1 47 LEU QD 1 58 GLN QE 5.000 . 6.000 4.398 4.139 4.991 . 0 0 "[ . ]" 1
1412 1 32 LYS H 1 32 LYS QG 3.000 . 4.100 2.050 1.788 2.306 0.112 7 0 "[ . ]" 1
1413 1 32 LYS HG2 1 33 ALA HA 4.100 . 6.000 3.631 3.395 4.166 . 0 0 "[ . ]" 1
1414 1 32 LYS HG2 1 46 THR HB 3.800 . 5.600 1.964 1.889 2.230 0.111 7 0 "[ . ]" 1
1415 1 47 LEU QD 1 55 THR HA 2.400 . 3.100 1.865 1.759 1.990 . 0 0 "[ . ]" 1
1416 1 31 GLY QA 1 32 LYS HG2 3.300 . 4.600 3.179 2.960 3.441 . 0 0 "[ . ]" 1
1417 1 47 LEU QD 1 50 THR HB 3.500 . 5.000 2.657 2.309 3.055 . 0 0 "[ . ]" 1
1418 1 47 LEU QD 1 58 GLN QG 3.300 . 4.700 2.562 2.229 3.568 . 0 0 "[ . ]" 1
1419 1 47 LEU QD 1 58 GLN QG 2.500 . 3.300 2.350 2.177 2.757 . 0 0 "[ . ]" 1
1420 1 47 LEU QD 1 54 LYS QB 3.900 . 5.800 3.610 3.090 4.110 . 0 0 "[ . ]" 1
1421 1 23 ALA MB 1 32 LYS HG3 2.100 . 2.700 1.700 1.639 1.780 . 0 0 "[ . ]" 1
1422 1 35 TYR QE 1 47 LEU QD 5.100 . 6.000 5.415 4.494 5.924 . 0 0 "[ . ]" 1
1423 1 24 ALA HA 1 32 LYS QG 4.600 . 6.000 3.625 3.531 3.711 . 0 0 "[ . ]" 1
1424 1 38 ASN QD 1 39 ARG QG 3.400 . 4.800 1.888 1.751 2.019 0.249 4 0 "[ . ]" 1
1425 1 51 THR HB 1 95 LEU HG 5.300 . 6.000 9.266 8.063 9.913 3.913 4 7 [*-*+***] 1
1426 1 5 TYR QB 1 103 LEU HG 4.100 . 6.000 3.552 2.366 5.438 . 0 0 "[ . ]" 1
1427 1 58 GLN H 1 58 GLN QB 2.800 . 3.800 2.236 2.217 2.258 . 0 0 "[ . ]" 1
1428 1 48 THR H 1 58 GLN QB 5.200 . 6.000 4.594 4.532 4.711 . 0 0 "[ . ]" 1
1429 1 58 GLN HB2 1 95 LEU H 4.800 . 6.000 4.514 4.172 4.781 . 0 0 "[ . ]" 1
1430 1 57 LEU H 1 58 GLN QB 4.100 . 6.000 4.260 4.200 4.308 . 0 0 "[ . ]" 1
1431 1 58 GLN QB 1 58 GLN QE 4.200 . 6.000 3.482 3.460 3.506 . 0 0 "[ . ]" 1
1432 1 55 THR HB 1 58 GLN HB3 2.400 . 3.100 2.169 2.030 2.289 . 0 0 "[ . ]" 1
1433 1 58 GLN QB 1 59 ALA MB 3.500 . 5.100 3.641 3.578 3.735 . 0 0 "[ . ]" 1
1434 1 32 LYS QG 1 33 ALA H 4.100 . 6.000 3.265 3.119 3.657 . 0 0 "[ . ]" 1
1435 1 73 ILE HB 1 111 LEU QD 3.200 . 4.500 2.551 2.287 3.108 . 0 0 "[ . ]" 1
1436 1 75 THR MG 1 111 LEU QD 3.400 . 4.800 3.457 3.174 3.677 . 0 0 "[ . ]" 1
1437 1 111 LEU HB2 1 111 LEU QD 3.200 . 4.500 2.047 1.906 2.329 . 0 0 "[ . ]" 1
1438 1 74 VAL HA 1 111 LEU QD 4.400 . 6.000 3.896 3.357 4.282 . 0 0 "[ . ]" 1
1439 1 38 ASN QD 1 41 ARG QG 4.800 . 6.000 6.692 6.369 7.106 1.106 7 6 "[**- **+]" 1
1440 1 31 GLY QA 1 47 LEU HG 3.600 . 5.200 3.821 3.557 4.202 . 0 0 "[ . ]" 1
1441 1 64 LEU QD 1 106 LYS QD 3.400 . 4.800 2.192 1.559 2.908 0.441 6 0 "[ . ]" 1
1442 1 103 LEU H 1 106 LYS QD 3.900 . 5.800 5.140 4.745 5.638 . 0 0 "[ . ]" 1
1443 1 56 GLU H 1 95 LEU HG 4.400 . 6.000 7.767 6.787 8.923 2.923 6 7 [****-+*] 1
1444 1 106 LYS QD 1 108 LYS HA 3.800 . 5.400 3.986 3.667 4.468 . 0 0 "[ . ]" 1
1445 1 50 THR HB 1 57 LEU HG 5.200 . 6.000 6.672 6.151 7.475 1.475 4 4 "[-**+. ]" 1
1446 1 72 ASN HD22 1 108 LYS HG2 3.900 . 5.800 5.910 5.608 6.475 0.675 4 1 "[ +. ]" 1
1447 1 108 LYS HA 1 108 LYS QG 3.200 . 4.500 3.306 3.227 3.330 . 0 0 "[ . ]" 1
1448 1 8 GLU QG 1 108 LYS QG 3.700 . 5.400 3.407 3.069 3.875 . 0 0 "[ . ]" 1
1449 1 68 GLY HA2 1 69 LEU MD1 4.800 . 6.000 4.878 3.240 6.028 0.028 1 0 "[ . ]" 1
1450 1 61 TYR H 1 62 LEU MD2 4.900 . 6.000 3.817 3.651 3.988 . 0 0 "[ . ]" 1
1451 1 75 THR HA 1 111 LEU QD 3.600 . 5.200 4.476 4.051 4.819 . 0 0 "[ . ]" 1
1452 1 80 ALA H 1 111 LEU QD 4.700 . 6.000 4.804 4.080 5.399 . 0 0 "[ . ]" 1
1453 1 80 ALA HA 1 111 LEU QD 4.800 . 6.000 4.347 3.338 5.073 . 0 0 "[ . ]" 1
1454 1 69 LEU HA 1 106 LYS QD 5.200 . 6.000 4.015 3.606 4.352 . 0 0 "[ . ]" 1
1455 1 57 LEU HG 1 77 SER QB 4.800 . 6.000 5.338 4.539 5.993 . 0 0 "[ . ]" 1
1456 1 70 GLU QB 1 108 LYS QG 2.800 . 3.800 2.135 1.962 2.673 . 0 0 "[ . ]" 1
1457 1 15 ALA HA 1 108 LYS HG3 4.700 . 6.000 5.120 4.901 5.675 . 0 0 "[ . ]" 1
1458 1 72 ASN HD22 1 108 LYS QG 4.100 . 6.000 6.090 5.743 6.827 0.827 4 1 "[ +. ]" 1
1459 1 62 LEU HB2 1 62 LEU MD2 2.600 . 3.400 3.187 3.170 3.210 . 0 0 "[ . ]" 1
1460 1 4 LEU HG 1 104 ILE QG 3.900 . 5.800 3.775 2.379 4.860 . 0 0 "[ . ]" 1
1461 1 6 GLN QG 1 106 LYS QD 4.200 . 6.000 5.344 4.878 5.897 . 0 0 "[ . ]" 1
1462 1 54 LYS QB 1 57 LEU HG 4.400 . 6.000 4.275 2.912 4.988 . 0 0 "[ . ]" 1
1463 1 107 GLU H 1 108 LYS HG2 3.800 . 5.600 3.823 3.462 4.128 . 0 0 "[ . ]" 1
1464 1 12 ILE HB 1 108 LYS HG3 2.200 . 2.800 2.029 2.013 2.048 . 0 0 "[ . ]" 1
1465 1 72 ASN HA 1 108 LYS QG 4.000 . 6.000 6.190 5.744 7.139 1.139 4 1 "[ +. ]" 1
1466 1 35 TYR QD 1 62 LEU MD2 4.300 . 6.000 3.749 2.692 4.154 . 0 0 "[ . ]" 1
1467 1 35 TYR QB 1 62 LEU MD2 4.200 . 6.000 3.654 3.031 4.297 . 0 0 "[ . ]" 1
1468 1 75 THR H 1 111 LEU QD 4.000 . 6.000 3.053 2.395 3.640 . 0 0 "[ . ]" 1
1469 1 105 LYS QE 1 105 LYS QG 3.000 . 4.100 2.164 2.031 2.443 . 0 0 "[ . ]" 1
1470 1 105 LYS QG 1 106 LYS H 4.700 . 6.000 3.261 3.093 3.452 . 0 0 "[ . ]" 1
1471 1 105 LYS H 1 105 LYS QG 4.200 . 6.000 2.492 1.848 2.787 0.152 1 0 "[ . ]" 1
1472 1 105 LYS HA 1 105 LYS QG 3.500 . 3.800 3.137 3.064 3.210 . 0 0 "[ . ]" 1
1473 1 102 GLN HA 1 105 LYS QG 4.400 . 6.000 2.344 2.125 2.731 . 0 0 "[ . ]" 1
1474 1 4 LEU HA 1 4 LEU HG 4.000 . 6.000 2.823 2.256 3.579 . 0 0 "[ . ]" 1
1475 1 106 LYS QB 1 106 LYS QD 2.600 . 3.400 2.210 2.136 2.305 . 0 0 "[ . ]" 1
1476 1 105 LYS H 1 106 LYS QD 3.800 . 5.600 5.930 5.372 6.148 0.548 2 2 "[ +- . ]" 1
1477 1 69 LEU HA 1 105 LYS QG 4.100 . 6.000 6.300 5.783 7.262 1.262 1 2 "[+ -. ]" 1
1478 1 136 LYS H 1 136 LYS HG2 4.400 . 6.000 2.720 1.727 4.683 0.273 4 0 "[ . ]" 1
1479 1 29 LYS HA 1 29 LYS QG 2.400 . 3.100 2.503 2.273 3.070 . 0 0 "[ . ]" 1
1480 1 29 LYS H 1 29 LYS HG2 3.500 . 5.000 2.607 2.371 2.801 . 0 0 "[ . ]" 1
1481 1 29 LYS QG 1 30 LEU H 4.900 . 6.000 4.453 4.280 4.630 . 0 0 "[ . ]" 1
1482 1 118 LYS QG 1 119 GLY H 3.700 . 5.400 3.998 2.794 4.611 . 0 0 "[ . ]" 1
1483 1 70 GLU H 1 108 LYS QG 4.800 . 6.000 4.733 4.584 5.110 . 0 0 "[ . ]" 1
1484 1 11 PRO HA 1 108 LYS HG3 4.300 . 6.000 3.982 3.593 4.411 . 0 0 "[ . ]" 1
1485 1 138 LEU H 1 138 LEU QD 4.700 . 6.000 3.758 3.217 4.307 . 0 0 "[ . ]" 1
1486 1 58 GLN QG 1 62 LEU MD2 3.900 . 5.600 4.005 3.472 5.730 0.130 4 0 "[ . ]" 1
1487 1 73 ILE HA 1 111 LEU QD 4.000 . 6.000 3.705 3.221 4.071 . 0 0 "[ . ]" 1
1488 1 57 LEU HA 1 111 LEU QD 4.800 . 6.000 3.655 3.356 4.119 . 0 0 "[ . ]" 1
1489 1 64 LEU QD 1 105 LYS QG 3.600 . 5.200 4.413 3.998 4.722 . 0 0 "[ . ]" 1
1490 1 35 TYR HA 1 43 LYS QG 4.600 . 6.000 5.282 4.984 5.605 . 0 0 "[ . ]" 1
1491 1 26 ARG HA 1 29 LYS QG 4.300 . 6.000 3.330 2.990 4.190 . 0 0 "[ . ]" 1
1492 1 103 LEU HG 1 109 VAL MG2 3.800 . 5.600 2.980 2.275 3.425 . 0 0 "[ . ]" 1
1493 1 42 GLN HA 1 43 LYS HG3 4.200 . 6.000 5.210 4.947 5.634 . 0 0 "[ . ]" 1
1494 1 29 LYS QG 1 49 ASP HA 3.100 . 4.300 3.143 2.736 3.591 . 0 0 "[ . ]" 1
1495 1 26 ARG HA 1 29 LYS QG 4.300 . 6.000 3.337 2.992 4.218 . 0 0 "[ . ]" 1
1496 1 81 LEU HB3 1 81 LEU QD 2.100 . 2.700 1.732 1.690 1.797 . 0 0 "[ . ]" 1
1497 1 80 ALA H 1 81 LEU QD 4.200 . 6.000 4.109 3.889 4.311 . 0 0 "[ . ]" 1
1498 1 77 SER H 1 81 LEU QD 4.500 . 6.000 3.863 3.035 4.362 . 0 0 "[ . ]" 1
1499 1 81 LEU QD 1 85 GLN HE22 3.500 . 4.900 3.702 2.868 4.332 . 0 0 "[ . ]" 1
1500 1 78 GLN HA 1 81 LEU MD1 4.300 . 6.000 2.551 2.090 3.558 . 0 0 "[ . ]" 1
1501 1 5 TYR QR 1 103 LEU MD2 3.700 . 5.400 2.331 1.967 2.479 0.033 6 0 "[ . ]" 1
1502 1 35 TYR QD 1 43 LYS HG2 3.900 . 5.800 2.654 2.281 3.127 . 0 0 "[ . ]" 1
1503 1 29 LYS QG 1 31 GLY QA 3.600 . 5.200 7.697 7.447 7.959 2.759 2 7 [*+**-**] 1
1504 1 29 LYS QG 1 30 LEU HA 3.700 . 5.400 5.803 5.639 5.909 0.509 2 1 "[ + . ]" 1
1505 1 29 LYS QD 1 29 LYS HG3 1.800 . 2.200 1.808 1.751 1.884 . 0 0 "[ . ]" 1
1506 1 29 LYS QG 1 47 LEU HA 3.800 . 5.600 7.645 7.210 8.093 2.493 2 7 [*+**-**] 1
1507 1 29 LYS H 1 30 LEU MD2 4.100 . 6.000 3.928 3.756 4.080 . 0 0 "[ . ]" 1
1508 1 28 THR H 1 30 LEU QD 4.600 . 6.000 4.256 4.163 4.360 . 0 0 "[ . ]" 1
1509 1 76 ASP H 1 111 LEU QD 3.600 . 5.200 4.529 4.006 4.767 . 0 0 "[ . ]" 1
1510 1 81 LEU QD 1 85 GLN HE21 3.500 . 5.100 4.298 3.695 4.870 . 0 0 "[ . ]" 1
1511 1 9 LYS HA 1 81 LEU QD 3.700 . 5.400 4.329 4.123 4.588 . 0 0 "[ . ]" 1
1512 1 81 LEU HA 1 81 LEU QD 2.800 . 3.800 2.344 1.897 2.875 . 0 0 "[ . ]" 1
1513 1 81 LEU QD 1 85 GLN HG2 3.800 . 5.600 4.874 4.286 5.490 . 0 0 "[ . ]" 1
1514 1 25 ASN HD21 1 30 LEU MD2 4.200 . 6.000 5.715 4.339 6.850 0.850 4 1 "[ +. ]" 1
1515 1 23 ALA MB 1 30 LEU QD 3.800 . 5.600 3.062 2.761 3.365 . 0 0 "[ . ]" 1
1516 1 78 GLN HA 1 81 LEU MD1 4.100 . 6.000 2.509 2.086 3.444 . 0 0 "[ . ]" 1
1517 1 23 ALA H 1 55 THR MG 3.700 . 5.400 4.784 4.702 4.943 . 0 0 "[ . ]" 1
1518 1 55 THR H 1 55 THR MG 3.400 . 4.800 1.982 1.825 2.248 0.175 3 0 "[ . ]" 1
1519 1 33 ALA HA 1 55 THR MG 3.400 . 4.700 5.914 5.350 6.242 1.542 1 7 [+**-***] 1
1520 1 55 THR HB 1 55 THR MG 2.300 . 3.000 2.106 2.087 2.131 . 0 0 "[ . ]" 1
1521 1 32 LYS QD 1 55 THR MG 4.100 . 6.000 2.987 2.670 3.567 . 0 0 "[ . ]" 1
1522 1 55 THR MG 1 57 LEU QB 4.700 . 6.000 4.950 4.878 5.023 . 0 0 "[ . ]" 1
1523 1 55 THR MG 1 59 ALA H 4.000 . 6.000 5.965 5.733 6.092 0.092 5 0 "[ . ]" 1
1524 1 55 THR MG 1 58 GLN QG 5.000 . 6.000 5.923 5.732 6.047 0.047 4 0 "[ . ]" 1
1525 1 47 LEU QB 1 55 THR MG 3.800 . 5.600 2.184 1.810 3.147 0.190 6 0 "[ . ]" 1
1526 1 47 LEU HG 1 55 THR MG 4.100 . 6.000 2.270 1.841 3.489 0.159 6 0 "[ . ]" 1
1527 1 80 ALA HA 1 96 VAL QG 3.800 . 5.600 2.430 2.132 2.665 . 0 0 "[ . ]" 1
1528 1 29 LYS H 1 30 LEU QD 4.400 . 6.000 3.894 3.733 4.038 . 0 0 "[ . ]" 1
1529 1 48 THR H 1 55 THR MG 4.400 . 6.000 5.133 4.897 5.334 . 0 0 "[ . ]" 1
1530 1 19 TYR QD 1 20 VAL QG 4.300 . 6.000 4.009 3.639 4.614 . 0 0 "[ . ]" 1
1531 1 20 VAL QG 1 60 ILE HA 3.200 . 4.400 1.616 1.405 1.812 0.595 7 1 "[ . +]" 1
1532 1 20 VAL QG 1 35 TYR HA 4.700 . 6.000 3.728 3.382 4.351 . 0 0 "[ . ]" 1
1533 1 96 VAL QG 1 97 ASN H 3.700 . 5.400 2.318 2.083 2.530 . 0 0 "[ . ]" 1
1534 1 27 GLU H 1 30 LEU MD2 3.600 . 5.300 5.120 4.891 5.375 0.075 7 0 "[ . ]" 1
1535 1 28 THR H 1 30 LEU MD2 4.700 . 6.000 4.308 4.198 4.432 . 0 0 "[ . ]" 1
1536 1 25 ASN HD21 1 30 LEU MD2 4.200 . 6.000 4.032 3.696 4.328 . 0 0 "[ . ]" 1
1537 1 79 TYR QD 1 96 VAL QG 3.600 . 5.200 4.432 3.575 5.152 . 0 0 "[ . ]" 1
1538 1 25 ASN QB 1 30 LEU MD2 4.000 . 6.000 3.405 3.160 4.137 . 0 0 "[ . ]" 1
1539 1 91 SER H 1 96 VAL QG 2.800 . 3.800 3.788 3.353 4.162 0.362 1 0 "[ . ]" 1
1540 1 25 ASN HD22 1 30 LEU MD2 5.000 . 6.000 3.372 3.248 3.507 . 0 0 "[ . ]" 1
1541 1 25 ASN HD21 1 30 LEU QD 4.400 . 6.000 5.524 4.204 6.535 0.535 4 1 "[ +. ]" 1
1542 1 4 LEU QD 1 89 ASP HA 3.500 . 5.100 4.570 4.076 4.911 . 0 0 "[ . ]" 1
1543 1 57 LEU HA 1 96 VAL QG 4.000 . 6.000 3.859 3.800 3.942 . 0 0 "[ . ]" 1
1544 1 30 LEU QB 1 30 LEU MD2 2.200 . 2.800 1.903 1.847 1.921 . 0 0 "[ . ]" 1
1545 1 47 LEU QD 1 51 THR H 3.300 . 4.700 4.121 3.429 4.477 . 0 0 "[ . ]" 1
1546 1 57 LEU HA 1 57 LEU MD1 2.800 . 3.800 1.898 1.617 2.275 0.183 1 0 "[ . ]" 1
1547 1 47 LEU QD 1 55 THR HA 3.200 . 4.500 1.861 1.755 1.984 0.145 4 0 "[ . ]" 1
1548 1 31 GLY QA 1 47 LEU QD 3.200 . 4.500 2.459 2.017 2.700 . 0 0 "[ . ]" 1
1549 1 16 GLU HG3 1 71 VAL MG1 3.300 . 4.600 2.275 1.896 3.058 0.104 3 0 "[ . ]" 1
1550 1 47 LEU QB 1 47 LEU QD 2.000 . 2.500 1.651 1.428 1.784 0.072 3 0 "[ . ]" 1
1551 1 47 LEU QB 1 47 LEU QD 1.900 . 2.400 1.588 1.548 1.632 . 0 0 "[ . ]" 1
1552 1 78 GLN HA 1 81 LEU MD1 4.200 . 6.000 2.571 2.094 3.588 . 0 0 "[ . ]" 1
1553 1 81 LEU HB3 1 81 LEU QD 2.300 . 2.900 2.061 1.935 2.293 . 0 0 "[ . ]" 1
1554 1 24 ALA MB 1 26 ARG QB 4.800 . 6.000 4.805 4.659 5.092 . 0 0 "[ . ]" 1
1555 1 33 ALA MB 1 55 THR HA 3.400 . 4.800 3.355 2.807 3.584 . 0 0 "[ . ]" 1
1556 1 33 ALA MB 1 35 TYR QE 3.200 . 4.500 8.044 7.459 8.484 3.984 7 7 [****-*+] 1
1557 1 20 VAL QG 1 65 GLN HA 4.700 . 6.000 5.328 4.946 5.515 . 0 0 "[ . ]" 1
1558 1 79 TYR QE 1 96 VAL QG 4.200 . 6.000 5.343 4.309 6.513 0.513 4 1 "[ +. ]" 1
1559 1 57 LEU HA 1 96 VAL QG 4.400 . 6.000 3.350 3.295 3.396 . 0 0 "[ . ]" 1
1560 1 57 LEU MD1 1 96 VAL H 4.300 . 6.000 3.242 2.123 3.731 . 0 0 "[ . ]" 1
1561 1 81 LEU QD 1 82 GLY H 4.200 . 6.000 3.462 3.128 4.021 . 0 0 "[ . ]" 1
1562 1 81 LEU QD 1 85 GLN HG3 3.300 . 4.700 4.534 3.663 5.233 0.533 6 1 "[ .+ ]" 1
1563 1 81 LEU QD 1 85 GLN QB 3.000 . 4.100 3.523 2.704 4.589 0.489 4 0 "[ . ]" 1
1564 1 81 LEU HB2 1 81 LEU QD 2.500 . 3.300 2.169 1.987 2.471 . 0 0 "[ . ]" 1
1565 1 23 ALA H 1 24 ALA MB 4.600 . 6.000 2.785 2.498 3.015 . 0 0 "[ . ]" 1
1566 1 23 ALA MB 1 32 LYS H 3.500 . 5.000 3.665 3.583 3.806 . 0 0 "[ . ]" 1
1567 1 22 GLY QA 1 23 ALA MB 4.400 . 6.000 2.194 2.043 2.288 . 0 0 "[ . ]" 1
1568 1 33 ALA MB 1 47 LEU QD 2.000 . 2.500 1.870 1.796 2.204 . 0 0 "[ . ]" 1
1569 1 7 LEU QB 1 7 LEU MD2 2.100 . 2.600 1.708 1.649 1.822 . 0 0 "[ . ]" 1
1570 1 96 VAL QG 1 99 ILE H 4.800 . 6.000 4.462 4.311 4.595 . 0 0 "[ . ]" 1
1571 1 2 ASN QD 1 4 LEU QD 4.100 . 6.000 5.515 4.780 6.313 0.313 7 0 "[ . ]" 1
1572 1 2 ASN QB 1 4 LEU MD1 3.800 . 5.600 4.570 4.175 5.011 . 0 0 "[ . ]" 1
1573 1 57 LEU H 1 57 LEU MD1 3.700 . 5.400 3.370 3.092 3.689 . 0 0 "[ . ]" 1
1574 1 47 LEU QD 1 54 LYS H 4.100 . 6.000 4.564 3.899 4.972 . 0 0 "[ . ]" 1
1575 1 106 LYS HG3 1 107 GLU H 3.500 . 5.000 2.653 2.386 3.373 . 0 0 "[ . ]" 1
1576 1 7 LEU QB 1 7 LEU MD1 2.000 . 2.500 1.821 1.744 1.854 . 0 0 "[ . ]" 1
1577 1 7 LEU MD1 1 7 LEU MD2 1.600 . 2.200 1.637 1.613 1.674 . 0 0 "[ . ]" 1
1578 1 57 LEU MD1 1 79 TYR QD 4.000 . 6.000 5.993 5.147 6.527 0.527 3 1 "[ + . ]" 1
1579 1 18 PHE QR 1 71 VAL MG1 2.500 . 3.300 2.280 2.138 2.405 . 0 0 "[ . ]" 1
1580 1 57 LEU MD1 1 80 ALA HA 2.900 . 4.000 2.753 2.527 3.026 . 0 0 "[ . ]" 1
1581 1 18 PHE QB 1 71 VAL MG1 4.300 . 6.000 2.726 2.070 3.156 . 0 0 "[ . ]" 1
1582 1 74 VAL HA 1 74 VAL MG1 3.400 . 4.800 2.432 2.080 3.197 . 0 0 "[ . ]" 1
1583 1 94 GLU H 1 95 LEU MD2 5.300 . 6.000 5.239 3.834 5.638 . 0 0 "[ . ]" 1
1584 1 61 TYR QB 1 95 LEU MD2 4.500 . 6.000 4.663 4.085 5.141 . 0 0 "[ . ]" 1
1585 1 57 LEU MD1 1 79 TYR HB2 3.700 . 5.400 4.543 4.017 4.917 . 0 0 "[ . ]" 1
1586 1 74 VAL MG1 1 110 TYR HB3 4.200 . 6.000 5.219 4.644 5.893 . 0 0 "[ . ]" 1
1587 1 3 GLU H 1 4 LEU MD1 4.200 . 6.000 5.188 4.796 5.644 . 0 0 "[ . ]" 1
1588 1 106 LYS QD 1 106 LYS HG3 3.300 . 4.600 2.171 2.160 2.177 . 0 0 "[ . ]" 1
1589 1 54 LYS H 1 57 LEU MD2 4.300 . 6.000 4.483 3.460 6.145 0.145 3 0 "[ . ]" 1
1590 1 26 ARG QG 1 51 THR MG 3.600 . 5.300 2.330 1.985 2.587 . 0 0 "[ . ]" 1
1591 1 106 LYS HG2 1 108 LYS H 3.600 . 5.200 4.878 3.815 5.608 0.408 5 0 "[ . ]" 1
1592 1 68 GLY H 1 69 LEU MD2 3.300 . 4.700 4.864 4.597 5.168 0.468 2 0 "[ . ]" 1
1593 1 35 TYR HA 1 36 VAL MG2 4.500 . 6.000 4.793 2.869 5.449 . 0 0 "[ . ]" 1
1594 1 20 VAL HB 1 74 VAL MG1 3.700 . 5.400 4.723 3.732 5.508 0.108 7 0 "[ . ]" 1
1595 1 57 LEU MD2 1 58 GLN H 4.700 . 6.000 4.572 4.413 4.730 . 0 0 "[ . ]" 1
1596 1 7 LEU QB 1 109 VAL MG2 4.000 . 6.000 6.107 5.912 6.277 0.277 2 0 "[ . ]" 1
1597 1 32 LYS QD 1 46 THR MG 2.500 . 3.300 4.084 3.408 4.728 1.428 6 5 "[-* **+ ]" 1
1598 1 51 THR MG 1 52 ASN HA 4.400 . 6.000 4.334 4.144 4.504 . 0 0 "[ . ]" 1
1599 1 28 THR HB 1 28 THR MG 3.000 . 4.100 2.106 2.093 2.121 . 0 0 "[ . ]" 1
1600 1 36 VAL H 1 36 VAL MG2 2.700 . 3.600 3.496 2.296 3.994 0.394 2 0 "[ . ]" 1
1601 1 36 VAL HA 1 36 VAL MG2 2.800 . 3.800 2.525 1.940 3.185 . 0 0 "[ . ]" 1
1602 1 13 VAL HA 1 13 VAL MG2 2.400 . 3.100 2.455 2.150 2.929 . 0 0 "[ . ]" 1
1603 1 45 VAL MG1 1 58 GLN QG 3.900 . 5.800 3.366 2.926 3.922 . 0 0 "[ . ]" 1
1604 1 35 TYR QE 1 45 VAL MG1 4.100 . 6.000 6.336 5.731 6.966 0.966 1 3 "[+ * . -]" 1
1605 1 36 VAL HA 1 36 VAL MG1 4.100 . 6.000 2.889 2.015 3.203 . 0 0 "[ . ]" 1
1606 1 34 GLY QA 1 44 VAL MG2 3.400 . 4.800 3.481 2.563 4.284 . 0 0 "[ . ]" 1
1607 1 54 LYS HA 1 57 LEU MD2 4.700 . 6.000 2.737 1.903 4.159 . 0 0 "[ . ]" 1
1608 1 136 LYS HA 1 137 VAL MG1 3.300 . 4.700 4.288 3.543 5.350 0.650 2 1 "[ + . ]" 1
1609 1 19 TYR QE 1 36 VAL MG1 3.700 . 5.400 3.290 2.506 4.863 . 0 0 "[ . ]" 1
1610 1 20 VAL H 1 36 VAL MG1 3.800 . 5.600 3.120 1.986 4.259 0.014 1 0 "[ . ]" 1
1611 1 56 GLU H 1 57 LEU MD2 4.600 . 6.000 4.915 3.970 5.478 . 0 0 "[ . ]" 1
1612 1 7 LEU HA 1 109 VAL MG2 3.700 . 5.500 3.193 3.178 3.201 . 0 0 "[ . ]" 1
1613 1 26 ARG QD 1 51 THR MG 3.600 . 5.200 2.185 1.942 2.990 0.058 5 0 "[ . ]" 1
1614 1 51 THR MG 1 52 ASN QB 4.900 . 6.000 3.643 3.385 3.750 . 0 0 "[ . ]" 1
1615 1 19 TYR QB 1 36 VAL MG2 4.900 . 6.000 3.259 1.833 4.026 0.067 7 0 "[ . ]" 1
1616 1 19 TYR QB 1 36 VAL MG2 4.800 . 6.000 3.628 1.833 4.609 0.167 7 0 "[ . ]" 1
1617 1 19 TYR H 1 36 VAL MG1 4.800 . 6.000 2.810 2.090 3.530 . 0 0 "[ . ]" 1
1618 1 45 VAL MG1 1 46 THR MG 4.000 . 6.000 4.834 4.732 4.917 . 0 0 "[ . ]" 1
1619 1 36 VAL MG1 1 37 THR HB 4.300 . 6.000 4.499 2.623 5.288 . 0 0 "[ . ]" 1
1620 1 19 TYR QD 1 36 VAL MG1 4.200 . 6.000 2.755 1.989 3.894 0.011 6 0 "[ . ]" 1
1621 1 36 VAL MG1 1 42 GLN HA 4.200 . 6.000 4.204 2.421 5.342 . 0 0 "[ . ]" 1
1622 1 19 TYR QE 1 36 VAL MG2 4.000 . 6.000 4.170 1.453 5.502 0.547 6 1 "[ .+ ]" 1
1623 1 35 TYR QD 1 36 VAL MG2 4.800 . 6.000 4.390 4.046 4.687 . 0 0 "[ . ]" 1
1624 1 137 VAL HA 1 137 VAL MG1 2.800 . 3.800 2.627 1.946 3.204 . 0 0 "[ . ]" 1
1625 1 137 VAL H 1 137 VAL QG 3.500 . 5.100 2.085 1.845 2.343 0.055 5 0 "[ . ]" 1
1626 1 137 VAL QG 1 138 LEU H 4.300 . 6.000 2.613 1.998 3.428 0.002 6 0 "[ . ]" 1
1627 1 33 ALA HA 1 45 VAL MG1 4.100 . 6.000 5.776 5.502 6.252 0.252 3 0 "[ . ]" 1
1628 1 32 LYS H 1 44 VAL MG1 4.300 . 6.000 5.583 4.952 6.055 0.055 3 0 "[ . ]" 1
1629 1 20 VAL H 1 36 VAL MG1 3.500 . 5.100 3.866 3.106 4.323 . 0 0 "[ . ]" 1
1630 1 44 VAL HB 1 44 VAL MG1 2.300 . 3.000 2.107 2.082 2.123 . 0 0 "[ . ]" 1
1631 1 90 GLN HA 1 96 VAL QG 4.700 . 6.000 4.618 4.277 4.868 . 0 0 "[ . ]" 1
1632 1 34 GLY QA 1 45 VAL QG 3.800 . 5.700 3.362 3.151 3.517 . 0 0 "[ . ]" 1
1633 1 23 ALA H 1 44 VAL MG1 3.900 . 5.800 3.910 3.387 4.374 . 0 0 "[ . ]" 1
1634 1 45 VAL QG 1 46 THR MG 4.200 . 6.000 4.146 4.071 4.295 . 0 0 "[ . ]" 1
1635 1 21 ASP H 1 36 VAL MG1 3.800 . 5.600 4.526 3.551 5.871 0.271 5 0 "[ . ]" 1
1636 1 54 LYS QG 1 96 VAL QG 3.900 . 5.800 3.949 3.262 4.338 . 0 0 "[ . ]" 1
1637 1 56 GLU H 1 75 THR MG 5.100 . 6.000 4.467 4.393 4.522 . 0 0 "[ . ]" 1
1638 1 137 VAL H 1 137 VAL MG1 3.700 . 5.400 2.777 2.129 3.834 . 0 0 "[ . ]" 1
1639 1 12 ILE HB 1 13 VAL MG1 3.700 . 5.500 4.380 3.861 4.863 . 0 0 "[ . ]" 1
1640 1 33 ALA H 1 45 VAL MG2 3.800 . 5.600 2.698 2.445 2.876 . 0 0 "[ . ]" 1
1641 1 8 GLU H 1 109 VAL MG1 3.100 . 4.300 3.114 2.892 3.303 . 0 0 "[ . ]" 1
1642 1 74 VAL HA 1 74 VAL MG2 2.300 . 2.900 2.178 2.061 2.283 . 0 0 "[ . ]" 1
1643 1 74 VAL MG2 1 110 TYR QE 3.600 . 5.200 3.715 2.536 4.938 . 0 0 "[ . ]" 1
1644 1 17 THR HA 1 74 VAL MG2 3.900 . 5.800 4.541 3.927 5.422 . 0 0 "[ . ]" 1
1645 1 72 ASN HB3 1 74 VAL MG2 3.800 . 5.600 3.758 2.947 5.533 . 0 0 "[ . ]" 1
1646 1 75 THR MG 1 77 SER QB 3.500 . 5.100 3.327 3.102 3.772 . 0 0 "[ . ]" 1
1647 1 20 VAL QG 1 59 ALA MB 4.100 . 6.000 2.194 1.964 2.479 0.036 3 0 "[ . ]" 1
1648 1 20 VAL QG 1 74 VAL H 4.400 . 6.000 2.845 2.433 3.156 . 0 0 "[ . ]" 1
1649 1 18 PHE QD 1 20 VAL QG 4.600 . 6.000 4.407 4.163 4.701 . 0 0 "[ . ]" 1
1650 1 49 ASP HB3 1 50 THR MG 3.700 . 5.400 3.896 3.381 4.617 . 0 0 "[ . ]" 1
1651 1 50 THR MG 1 54 LYS QB 3.000 . 4.100 2.839 1.731 3.470 0.169 4 0 "[ . ]" 1
1652 1 12 ILE MG 1 107 GLU QG 4.300 . 6.000 3.758 3.434 4.406 . 0 0 "[ . ]" 1
1653 1 18 PHE H 1 74 VAL MG2 4.100 . 6.000 4.268 3.126 6.375 0.375 3 0 "[ . ]" 1
1654 1 15 ALA MB 1 72 ASN H 3.200 . 4.500 3.587 3.169 4.022 . 0 0 "[ . ]" 1
1655 1 56 GLU QB 1 75 THR MG 2.600 . 3.500 1.692 1.631 1.739 0.069 4 0 "[ . ]" 1
1656 1 114 VAL MG1 1 114 VAL MG2 3.200 . 4.500 2.038 1.998 2.096 0.002 1 0 "[ . ]" 1
1657 1 43 LYS HB2 1 45 VAL MG2 3.600 . 5.200 4.761 4.388 5.362 0.162 4 0 "[ . ]" 1
1658 1 45 VAL MG2 1 47 LEU H 4.600 . 6.000 4.245 3.921 4.582 . 0 0 "[ . ]" 1
1659 1 49 ASP HA 1 50 THR MG 4.000 . 6.000 4.582 4.282 5.246 . 0 0 "[ . ]" 1
1660 1 48 THR HB 1 50 THR MG 4.600 . 6.000 4.319 4.020 4.976 . 0 0 "[ . ]" 1
1661 1 22 GLY QA 1 59 ALA MB 4.500 . 6.000 3.080 2.949 3.331 . 0 0 "[ . ]" 1
1662 1 15 ALA MB 1 71 VAL H 3.600 . 5.300 3.188 3.048 3.283 . 0 0 "[ . ]" 1
1663 1 15 ALA MB 1 70 GLU H 4.400 . 6.000 3.669 3.550 3.844 . 0 0 "[ . ]" 1
1664 1 20 VAL QG 1 60 ILE HB 3.600 . 5.300 2.316 1.769 2.512 0.131 3 0 "[ . ]" 1
1665 1 60 ILE HA 1 63 ALA MB 3.600 . 5.200 2.879 2.462 3.246 . 0 0 "[ . ]" 1
1666 1 50 THR HA 1 50 THR MG 2.400 . 3.100 2.426 2.135 2.635 . 0 0 "[ . ]" 1
1667 1 74 VAL MG2 1 75 THR HA 4.100 . 6.000 4.769 3.528 5.493 . 0 0 "[ . ]" 1
1668 1 85 GLN HG3 1 86 ALA MB 4.400 . 6.000 4.530 3.662 5.140 . 0 0 "[ . ]" 1
1669 1 86 ALA MB 1 88 PRO QG 3.200 . 4.500 4.849 4.741 5.057 0.557 4 1 "[ +. ]" 1
1670 1 56 GLU QB 1 80 ALA MB 3.500 . 5.000 3.285 3.184 3.516 . 0 0 "[ . ]" 1
1671 1 71 VAL HB 1 71 VAL MG2 2.300 . 3.000 2.116 2.103 2.126 . 0 0 "[ . ]" 1
1672 1 33 ALA H 1 59 ALA MB 4.200 . 6.000 4.218 4.019 4.367 . 0 0 "[ . ]" 1
1673 1 58 GLN QB 1 59 ALA MB 3.500 . 5.000 3.825 3.743 3.914 . 0 0 "[ . ]" 1
1674 1 59 ALA HA 1 59 ALA MB 2.200 . 2.800 2.107 2.094 2.133 . 0 0 "[ . ]" 1
1675 1 20 VAL H 1 20 VAL QG 4.000 . 6.000 2.318 2.234 2.435 . 0 0 "[ . ]" 1
1676 1 18 PHE QR 1 71 VAL MG2 4.600 . 6.000 3.322 3.153 3.616 . 0 0 "[ . ]" 1
1677 1 83 ILE HB 1 84 ILE MG 2.900 . 3.900 4.757 4.676 4.869 0.969 7 7 [-*****+] 1
1678 1 20 VAL H 1 73 ILE MG 4.200 . 6.000 3.806 3.633 3.992 . 0 0 "[ . ]" 1
1679 1 90 GLN QB 1 100 ILE MG 4.300 . 6.000 4.292 4.131 4.433 . 0 0 "[ . ]" 1
1680 1 120 ILE HB 1 120 ILE MG 2.200 . 2.800 2.100 2.074 2.123 . 0 0 "[ . ]" 1
1681 1 73 ILE MG 1 74 VAL H 2.900 . 3.900 3.219 3.091 3.299 . 0 0 "[ . ]" 1
1682 1 17 THR H 1 71 VAL MG2 3.700 . 5.400 4.788 4.713 4.824 . 0 0 "[ . ]" 1
1683 1 18 PHE QB 1 71 VAL MG2 4.400 . 5.600 2.807 2.498 3.329 . 0 0 "[ . ]" 1
1684 1 64 LEU HA 1 71 VAL MG2 4.800 . 6.000 3.384 3.239 3.527 . 0 0 "[ . ]" 1
1685 1 16 GLU QB 1 71 VAL MG2 3.000 . 4.100 4.052 3.860 4.604 0.504 6 1 "[ .+ ]" 1
1686 1 57 LEU QB 1 83 ILE MG 4.500 . 6.000 5.715 5.553 5.918 . 0 0 "[ . ]" 1
1687 1 100 ILE H 1 100 ILE MG 3.300 . 4.700 3.410 3.355 3.444 . 0 0 "[ . ]" 1
1688 1 90 GLN QE 1 100 ILE MG 4.400 . 6.000 3.800 3.699 3.896 . 0 0 "[ . ]" 1
1689 1 5 TYR HA 1 100 ILE MG 4.200 . 6.000 5.691 5.455 5.891 . 0 0 "[ . ]" 1
1690 1 100 ILE HA 1 100 ILE MG 2.400 . 3.100 2.425 2.383 2.513 . 0 0 "[ . ]" 1
1691 1 4 LEU HB3 1 100 ILE MG 3.400 . 4.800 2.947 2.721 3.082 . 0 0 "[ . ]" 1
1692 1 120 ILE H 1 120 ILE MG 4.000 . 6.000 3.321 2.300 3.966 . 0 0 "[ . ]" 1
1693 1 120 ILE HA 1 120 ILE MG 2.900 . 4.000 2.663 1.970 3.191 . 0 0 "[ . ]" 1
1694 1 120 ILE MG 1 121 GLY H 3.900 . 5.800 2.058 1.567 3.185 0.433 3 0 "[ . ]" 1
1695 1 4 LEU H 1 104 ILE MG 5.500 . 6.000 4.950 4.864 5.052 . 0 0 "[ . ]" 1
1696 1 83 ILE MG 1 87 GLN H 4.800 . 6.000 5.073 4.748 5.552 . 0 0 "[ . ]" 1
1697 1 83 ILE MG 1 89 ASP HA 4.400 . 6.000 6.564 6.307 6.903 0.903 7 5 "[** -.*+]" 1
1698 1 4 LEU HA 1 104 ILE MG 4.000 . 6.000 3.752 3.369 4.493 . 0 0 "[ . ]" 1
1699 1 20 VAL H 1 60 ILE MG 4.200 . 6.000 4.348 4.170 4.654 . 0 0 "[ . ]" 1
1700 1 60 ILE MG 1 65 GLN H 3.400 . 4.900 5.710 5.572 5.817 0.917 4 7 [**-+***] 1
1701 1 60 ILE MG 1 64 LEU H 4.100 . 6.000 3.348 2.748 3.527 . 0 0 "[ . ]" 1
1702 1 60 ILE H 1 60 ILE MG 3.600 . 5.200 3.591 3.525 3.755 . 0 0 "[ . ]" 1
1703 1 60 ILE MG 1 99 ILE QG 2.500 . 3.300 1.749 1.458 2.337 0.242 3 0 "[ . ]" 1
1704 1 83 ILE MG 1 91 SER H 2.500 . 3.300 4.213 3.963 4.512 1.212 7 7 [*****-+] 1
1705 1 83 ILE MG 1 96 VAL HB 3.100 . 4.300 3.550 2.884 4.344 0.044 7 0 "[ . ]" 1
1706 1 83 ILE MG 1 88 PRO QG 2.500 . 3.300 3.198 2.809 3.605 0.305 7 0 "[ . ]" 1
1707 1 57 LEU HA 1 60 ILE MG 3.000 . 4.100 2.712 2.589 3.124 . 0 0 "[ . ]" 1
1708 1 12 ILE HB 1 12 ILE MD 3.300 . 4.700 2.366 2.258 2.505 . 0 0 "[ . ]" 1
1709 1 100 ILE H 1 104 ILE MD 4.900 . 6.000 4.574 4.476 4.664 . 0 0 "[ . ]" 1
1710 1 101 GLU QB 1 104 ILE MD 4.000 . 6.000 3.462 3.188 3.781 . 0 0 "[ . ]" 1
1711 1 83 ILE HB 1 99 ILE MG 3.500 . 5.100 2.873 2.325 3.209 . 0 0 "[ . ]" 1
1712 1 101 GLU H 1 104 ILE MD 3.700 . 5.400 3.195 3.106 3.263 . 0 0 "[ . ]" 1
1713 1 73 ILE H 1 73 ILE MD 3.700 . 5.400 3.926 2.669 4.395 . 0 0 "[ . ]" 1
1714 1 17 THR H 1 73 ILE MD 4.100 . 6.000 5.453 5.039 5.986 . 0 0 "[ . ]" 1
1715 1 60 ILE MD 1 81 LEU H 4.600 . 6.000 4.238 4.161 4.447 . 0 0 "[ . ]" 1
1716 1 84 ILE MD 1 85 GLN HA 3.800 . 5.600 4.403 3.964 5.278 . 0 0 "[ . ]" 1
1717 1 97 ASN H 1 100 ILE MD 3.700 . 5.400 3.993 3.067 4.399 . 0 0 "[ . ]" 1
1718 1 89 ASP HA 1 100 ILE MD 4.100 . 6.000 4.383 4.080 4.626 . 0 0 "[ . ]" 1
1719 1 100 ILE HA 1 100 ILE MD 2.900 . 3.900 1.722 1.571 1.957 0.329 2 0 "[ . ]" 1
1720 1 120 ILE HB 1 120 ILE MD 2.300 . 2.900 2.323 2.046 3.229 0.329 4 0 "[ . ]" 1
1721 1 120 ILE MD 1 120 ILE QG 2.200 . 2.800 1.863 1.850 1.882 . 0 0 "[ . ]" 1
1722 1 60 ILE MD 1 61 TYR H 3.900 . 5.800 4.489 4.407 4.646 . 0 0 "[ . ]" 1
1723 1 90 GLN H 1 100 ILE MD 3.600 . 5.200 6.046 5.911 6.156 0.956 2 7 [*+***-*] 1
1724 1 20 VAL QG 1 35 TYR QD 4.800 . 6.000 3.161 2.865 3.795 . 0 0 "[ . ]" 1
1725 1 78 GLN H 1 79 TYR QD 4.800 . 6.000 5.432 4.732 5.859 . 0 0 "[ . ]" 1
1726 1 110 TYR H 1 110 TYR QD 4.600 . 6.000 3.834 3.656 3.916 . 0 0 "[ . ]" 1
1727 1 9 LYS HG3 1 110 TYR QD 4.100 . 6.000 4.497 4.353 4.642 . 0 0 "[ . ]" 1
1728 1 12 ILE QG 1 110 TYR QD 3.900 . 5.800 3.718 3.047 4.105 . 0 0 "[ . ]" 1
1729 1 51 THR HB 1 79 TYR QD 4.600 . 6.000 4.525 3.847 5.581 . 0 0 "[ . ]" 1
1730 1 7 LEU QB 1 110 TYR QD 4.500 . 6.000 5.801 4.617 6.376 0.376 5 0 "[ . ]" 1
1731 1 19 TYR QD 1 73 ILE HA 4.500 . 6.000 6.043 5.788 6.202 0.202 4 0 "[ . ]" 1
1732 1 18 PHE QD 1 19 TYR QD 4.700 . 6.000 5.955 5.269 6.309 0.309 7 0 "[ . ]" 1
1733 1 16 GLU QB 1 18 PHE QR 4.000 . 6.000 2.323 1.645 3.261 0.355 5 0 "[ . ]" 1
1734 1 8 GLU HA 1 110 TYR H 4.500 . 6.000 6.209 5.793 7.286 1.286 7 1 "[ . +]" 1
1735 1 21 ASP H 1 73 ILE HA 5.000 . 6.000 7.681 7.436 7.899 1.899 6 7 [***-*+*] 1
1736 1 113 TRP H 1 113 TRP HZ3 4.900 . 6.000 7.024 5.738 7.508 1.508 7 6 "[-* ***+]" 1
1737 1 5 TYR QE 1 85 GLN H 3.700 . 5.400 6.977 6.656 7.216 1.816 5 7 [-***+**] 1
1738 1 5 TYR QE 1 84 ILE H 3.800 . 5.600 8.029 7.751 8.304 2.704 5 7 [-***+**] 1
1739 1 18 PHE HZ 1 63 ALA H 4.600 . 6.000 5.977 5.818 6.153 0.153 1 0 "[ . ]" 1
1740 1 5 TYR QE 1 100 ILE HA 4.200 . 6.000 3.989 3.725 4.247 . 0 0 "[ . ]" 1
1741 1 5 TYR HA 1 5 TYR QE 4.000 . 6.000 4.734 4.389 5.108 . 0 0 "[ . ]" 1
1742 1 5 TYR QE 1 83 ILE HA 4.200 . 6.000 3.685 3.453 3.858 . 0 0 "[ . ]" 1
1743 1 5 TYR QB 1 5 TYR QE 3.700 . 5.400 3.506 3.501 3.511 . 0 0 "[ . ]" 1
1744 1 3 GLU HA 1 5 TYR QE 4.400 . 6.000 5.688 5.555 5.912 . 0 0 "[ . ]" 1
1745 1 35 TYR QE 1 43 LYS QE 4.000 . 6.000 3.253 2.735 3.718 . 0 0 "[ . ]" 1
1746 1 79 TYR H 1 82 GLY H 4.000 . 6.000 4.477 4.365 4.541 . 0 0 "[ . ]" 1
1747 1 47 LEU QD 1 55 THR HB 4.300 . 6.000 1.964 1.889 2.231 0.111 7 0 "[ . ]" 1
1748 1 22 GLY QA 1 47 LEU QD 4.700 . 6.000 2.751 2.384 3.103 . 0 0 "[ . ]" 1
1749 1 37 THR MG 1 39 ARG QG 3.700 . 5.400 2.715 2.170 3.214 . 0 0 "[ . ]" 1
1750 1 23 ALA H 1 32 LYS QG 3.500 . 5.100 4.830 3.708 5.264 0.164 2 0 "[ . ]" 1
1751 1 59 ALA H 1 59 ALA MB 2.600 . 3.400 2.101 2.045 2.224 . 0 0 "[ . ]" 1
1752 1 21 ASP H 1 59 ALA MB 2.600 . 3.500 2.556 2.424 2.808 . 0 0 "[ . ]" 1
1753 1 71 VAL MG2 1 73 ILE H 3.800 . 5.600 3.641 3.391 4.144 . 0 0 "[ . ]" 1
1754 1 58 GLN H 1 59 ALA MB 4.400 . 6.000 4.152 4.007 4.284 . 0 0 "[ . ]" 1
1755 1 86 ALA H 1 86 ALA MB 3.000 . 4.100 2.210 2.127 2.319 . 0 0 "[ . ]" 1
1756 1 18 PHE HZ 1 63 ALA MB 3.700 . 5.400 6.292 5.943 6.978 1.578 5 7 [**-*+**] 1
1757 1 80 ALA HA 1 80 ALA MB 3.000 . 4.100 2.124 2.100 2.137 . 0 0 "[ . ]" 1
1758 1 86 ALA MB 1 87 GLN HA 4.000 . 6.000 4.997 4.905 5.045 . 0 0 "[ . ]" 1
1759 1 5 TYR QR 1 100 ILE MG 3.400 . 4.900 1.720 1.594 1.919 0.406 5 0 "[ . ]" 1
1760 1 12 ILE H 1 12 ILE MD 3.600 . 5.000 3.355 2.952 3.638 . 0 0 "[ . ]" 1
1761 1 99 ILE HA 1 99 ILE MD 2.800 . 3.800 3.618 3.474 3.791 . 0 0 "[ . ]" 1
1762 1 5 TYR QD 1 104 ILE MD 3.700 . 5.400 3.692 3.193 4.121 . 0 0 "[ . ]" 1
1763 1 84 ILE H 1 84 ILE MD 4.600 . 6.000 4.338 4.212 4.407 . 0 0 "[ . ]" 1
1764 1 6 GLN QB 1 104 ILE MD 4.000 . 6.000 4.047 3.773 4.222 . 0 0 "[ . ]" 1
1765 1 60 ILE MD 1 75 THR HB 3.300 . 4.700 2.438 2.188 2.742 . 0 0 "[ . ]" 1
1766 1 100 ILE H 1 100 ILE MD 3.100 . 4.300 3.126 2.797 3.358 . 0 0 "[ . ]" 1
1767 1 5 TYR QR 1 100 ILE MD 3.100 . 4.300 2.230 1.979 2.389 0.021 2 0 "[ . ]" 1
1768 1 81 LEU HA 1 84 ILE MD 3.600 . 5.200 6.184 5.974 6.380 1.180 5 7 [-***+**] 1
1769 1 37 THR HB 1 37 THR MG 3.000 . 4.100 2.104 2.077 2.127 . 0 0 "[ . ]" 1
1770 1 28 THR HB 1 29 LYS QD 3.500 . 5.000 5.111 4.455 5.592 0.592 2 1 "[ + . ]" 1
1771 1 47 LEU QD 1 50 THR HB 3.500 . 5.000 2.556 2.034 2.911 . 0 0 "[ . ]" 1
1772 1 75 THR HB 1 81 LEU H 4.500 . 6.000 6.222 6.177 6.280 0.280 4 0 "[ . ]" 1
1773 1 17 THR HB 1 17 THR MG 3.000 . 4.100 2.107 2.093 2.127 . 0 0 "[ . ]" 1
1774 1 33 ALA MB 1 59 ALA HA 3.100 . 4.300 3.139 2.885 3.369 . 0 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 1.025
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 ASP 0.115 0.040 4 0 "[ . ]"
1 56 GLU 0.088 0.040 4 0 "[ . ]"
1 76 ASP 0.069 0.028 5 0 "[ . ]"
1 127 ASP 0.020 0.020 7 0 "[ . ]"
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 21 ASP CG 1 56 GLU CD 4.800 4.500 5.100 4.806 4.460 5.113 0.040 4 0 "[ . ]" 2
2 1 21 ASP CG 1 76 ASP CG 4.700 4.400 5.000 4.581 4.373 5.011 0.027 3 0 "[ . ]" 2
3 1 21 ASP CG 1 127 ASP CG 5.200 4.900 5.500 5.184 4.880 5.479 0.020 7 0 "[ . ]" 2
4 1 56 GLU CD 1 76 ASP CG 5.400 5.100 5.700 5.194 5.072 5.483 0.028 5 0 "[ . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 94
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 99.135
_Distance_constraint_stats_list.Viol_max 0.302
_Distance_constraint_stats_list.Viol_rms 0.0482
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.0838
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 GLU 0.000 0.000 . 0 "[ . ]"
1 17 THR 1.800 0.222 5 0 "[ . ]"
1 18 PHE 0.231 0.079 5 0 "[ . ]"
1 19 TYR 0.753 0.129 6 0 "[ . ]"
1 20 VAL 0.079 0.079 3 0 "[ . ]"
1 21 ASP 0.468 0.133 4 0 "[ . ]"
1 23 ALA 0.179 0.062 4 0 "[ . ]"
1 25 ASN 0.093 0.040 5 0 "[ . ]"
1 30 LEU 0.093 0.040 5 0 "[ . ]"
1 31 GLY 0.336 0.072 6 0 "[ . ]"
1 32 LYS 0.179 0.062 4 0 "[ . ]"
1 33 ALA 0.088 0.061 6 0 "[ . ]"
1 34 GLY 0.468 0.133 4 0 "[ . ]"
1 35 TYR 1.377 0.197 2 0 "[ . ]"
1 36 VAL 0.753 0.129 6 0 "[ . ]"
1 37 THR 2.041 0.302 7 0 "[ . ]"
1 38 ASN 1.800 0.222 5 0 "[ . ]"
1 41 ARG 2.041 0.302 7 0 "[ . ]"
1 43 LYS 1.377 0.197 2 0 "[ . ]"
1 45 VAL 0.088 0.061 6 0 "[ . ]"
1 47 LEU 0.336 0.072 6 0 "[ . ]"
1 52 ASN 0.695 0.152 7 0 "[ . ]"
1 53 GLN 0.000 0.000 . 0 "[ . ]"
1 54 LYS 0.000 0.000 . 0 "[ . ]"
1 55 THR 0.000 0.000 . 0 "[ . ]"
1 56 GLU 0.695 0.152 7 0 "[ . ]"
1 57 LEU 0.000 0.000 . 0 "[ . ]"
1 58 GLN 0.812 0.181 1 0 "[ . ]"
1 59 ALA 0.000 0.000 . 0 "[ . ]"
1 60 ILE 0.000 0.000 . 0 "[ . ]"
1 61 TYR 0.000 0.000 . 0 "[ . ]"
1 62 LEU 0.979 0.181 1 0 "[ . ]"
1 63 ALA 0.000 0.000 . 0 "[ . ]"
1 64 LEU 0.000 0.000 . 0 "[ . ]"
1 65 GLN 0.000 0.000 . 0 "[ . ]"
1 66 ASP 0.167 0.070 7 0 "[ . ]"
1 71 VAL 0.000 0.000 . 0 "[ . ]"
1 72 ASN 0.000 0.000 . 0 "[ . ]"
1 73 ILE 2.393 0.264 7 0 "[ . ]"
1 74 VAL 0.309 0.079 5 0 "[ . ]"
1 75 THR 0.900 0.145 7 0 "[ . ]"
1 78 GLN 0.354 0.095 4 0 "[ . ]"
1 79 TYR 0.000 0.000 . 0 "[ . ]"
1 80 ALA 0.012 0.012 6 0 "[ . ]"
1 82 GLY 0.354 0.095 4 0 "[ . ]"
1 83 ILE 0.000 0.000 . 0 "[ . ]"
1 84 ILE 0.012 0.012 6 0 "[ . ]"
1 94 GLU 0.465 0.115 7 0 "[ . ]"
1 95 LEU 0.000 0.000 . 0 "[ . ]"
1 96 VAL 0.000 0.000 . 0 "[ . ]"
1 97 ASN 0.000 0.000 . 0 "[ . ]"
1 98 GLN 0.682 0.115 7 0 "[ . ]"
1 99 ILE 0.000 0.000 . 0 "[ . ]"
1 100 ILE 0.000 0.000 . 0 "[ . ]"
1 101 GLU 0.703 0.136 6 0 "[ . ]"
1 102 GLN 0.217 0.061 4 0 "[ . ]"
1 103 LEU 0.000 0.000 . 0 "[ . ]"
1 104 ILE 0.000 0.000 . 0 "[ . ]"
1 105 LYS 0.703 0.136 6 0 "[ . ]"
1 108 LYS 0.000 0.000 . 0 "[ . ]"
1 110 TYR 0.861 0.264 7 0 "[ . ]"
1 112 ALA 2.431 0.196 4 0 "[ . ]"
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 37 THR O 1 41 ARG H 2.000 . 2.400 2.604 2.456 2.702 0.302 7 0 "[ . ]" 3
2 1 37 THR C 1 41 ARG N 4.000 3.600 4.400 4.327 4.089 4.432 0.032 1 0 "[ . ]" 3
3 1 37 THR H 1 41 ARG O 2.000 . 2.400 2.420 2.143 2.589 0.189 1 0 "[ . ]" 3
4 1 37 THR N 1 41 ARG C 4.000 3.600 4.400 4.037 3.738 4.242 . 0 0 "[ . ]" 3
5 1 35 TYR O 1 43 LYS H 2.000 . 2.400 2.248 1.804 2.478 0.078 4 0 "[ . ]" 3
6 1 35 TYR C 1 43 LYS N 4.000 3.600 4.400 4.252 3.892 4.450 0.050 4 0 "[ . ]" 3
7 1 35 TYR H 1 43 LYS O 2.000 . 2.400 2.553 2.495 2.597 0.197 2 0 "[ . ]" 3
8 1 35 TYR N 1 43 LYS C 4.000 3.600 4.400 4.160 3.960 4.299 . 0 0 "[ . ]" 3
9 1 33 ALA O 1 45 VAL H 2.000 . 2.400 1.988 1.947 2.023 . 0 0 "[ . ]" 3
10 1 33 ALA C 1 45 VAL N 4.000 3.600 4.400 3.602 3.539 3.676 0.061 6 0 "[ . ]" 3
11 1 33 ALA H 1 45 VAL O 2.000 . 2.400 2.246 2.177 2.367 . 0 0 "[ . ]" 3
12 1 33 ALA N 1 45 VAL C 4.000 3.600 4.400 3.841 3.779 3.911 . 0 0 "[ . ]" 3
13 1 31 GLY O 1 47 LEU H 2.000 . 2.400 2.448 2.420 2.472 0.072 6 0 "[ . ]" 3
14 1 31 GLY C 1 47 LEU N 4.000 3.600 4.400 3.993 3.970 4.026 . 0 0 "[ . ]" 3
15 1 17 THR O 1 38 ASN H 2.000 . 2.400 2.580 2.542 2.622 0.222 5 0 "[ . ]" 3
16 1 17 THR C 1 38 ASN N 4.000 3.600 4.400 4.477 4.432 4.542 0.142 6 0 "[ . ]" 3
17 1 19 TYR O 1 36 VAL H 2.000 . 2.400 2.500 2.430 2.529 0.129 6 0 "[ . ]" 3
18 1 19 TYR C 1 36 VAL N 4.000 3.600 4.400 4.104 3.980 4.236 . 0 0 "[ . ]" 3
19 1 19 TYR H 1 36 VAL O 2.000 . 2.400 2.206 1.884 2.358 . 0 0 "[ . ]" 3
20 1 19 TYR N 1 36 VAL C 4.000 3.600 4.400 4.124 3.980 4.435 0.035 5 0 "[ . ]" 3
21 1 21 ASP O 1 34 GLY H 2.000 . 2.400 2.465 2.424 2.533 0.133 4 0 "[ . ]" 3
22 1 21 ASP C 1 34 GLY N 4.000 3.600 4.400 4.147 4.017 4.213 . 0 0 "[ . ]" 3
23 1 21 ASP H 1 34 GLY O 2.000 . 2.400 2.198 1.934 2.354 . 0 0 "[ . ]" 3
24 1 21 ASP N 1 34 GLY C 4.000 3.600 4.400 4.307 4.093 4.410 0.010 2 0 "[ . ]" 3
25 1 23 ALA O 1 32 LYS H 2.000 . 2.400 1.829 1.763 1.896 . 0 0 "[ . ]" 3
26 1 23 ALA C 1 32 LYS N 4.000 3.600 4.400 3.680 3.593 3.723 0.007 4 0 "[ . ]" 3
27 1 23 ALA H 1 32 LYS O 2.000 . 2.400 2.415 2.333 2.462 0.062 4 0 "[ . ]" 3
28 1 23 ALA N 1 32 LYS C 4.000 3.600 4.400 3.730 3.656 3.801 . 0 0 "[ . ]" 3
29 1 25 ASN O 1 30 LEU H 2.000 . 2.400 2.142 1.900 2.311 . 0 0 "[ . ]" 3
30 1 25 ASN C 1 30 LEU N 4.000 3.600 4.400 4.039 3.901 4.149 . 0 0 "[ . ]" 3
31 1 25 ASN H 1 30 LEU O 2.000 . 2.400 2.060 1.837 2.414 0.014 4 0 "[ . ]" 3
32 1 25 ASN N 1 30 LEU C 4.000 3.600 4.400 3.673 3.560 3.800 0.040 5 0 "[ . ]" 3
33 1 16 GLU O 1 72 ASN H 2.000 . 2.400 1.793 1.699 1.912 . 0 0 "[ . ]" 3
34 1 16 GLU C 1 72 ASN N 4.000 3.600 4.400 3.765 3.622 3.886 . 0 0 "[ . ]" 3
35 1 18 PHE H 1 72 ASN O 2.000 . 2.400 1.971 1.828 2.096 . 0 0 "[ . ]" 3
36 1 18 PHE N 1 72 ASN C 4.000 3.600 4.400 3.880 3.786 4.021 . 0 0 "[ . ]" 3
37 1 18 PHE O 1 74 VAL H 2.000 . 2.400 2.323 2.076 2.475 0.075 1 0 "[ . ]" 3
38 1 18 PHE C 1 74 VAL N 4.000 3.600 4.400 4.379 4.254 4.479 0.079 5 0 "[ . ]" 3
39 1 20 VAL H 1 74 VAL O 2.000 . 2.400 2.241 2.044 2.479 0.079 3 0 "[ . ]" 3
40 1 20 VAL N 1 74 VAL C 4.000 3.600 4.400 4.099 3.941 4.298 . 0 0 "[ . ]" 3
41 1 71 VAL H 1 108 LYS O 2.000 . 2.400 1.924 1.835 2.039 . 0 0 "[ . ]" 3
42 1 71 VAL N 1 108 LYS C 4.000 3.600 4.400 3.953 3.830 4.122 . 0 0 "[ . ]" 3
43 1 71 VAL O 1 110 TYR H 2.000 . 2.400 1.970 1.851 2.092 . 0 0 "[ . ]" 3
44 1 71 VAL C 1 110 TYR N 4.000 3.600 4.400 3.927 3.677 4.012 . 0 0 "[ . ]" 3
45 1 73 ILE H 1 110 TYR O 2.000 . 2.400 2.140 2.031 2.249 . 0 0 "[ . ]" 3
46 1 73 ILE N 1 110 TYR C 4.000 3.600 4.400 3.477 3.336 3.528 0.264 7 0 "[ . ]" 3
47 1 73 ILE O 1 112 ALA H 2.000 . 2.400 2.534 2.434 2.581 0.181 4 0 "[ . ]" 3
48 1 73 ILE C 1 112 ALA N 4.000 3.600 4.400 4.455 4.187 4.596 0.196 4 0 "[ . ]" 3
49 1 75 THR H 1 112 ALA O 2.000 . 2.400 2.490 2.308 2.545 0.145 7 0 "[ . ]" 3
50 1 75 THR N 1 112 ALA C 4.000 3.600 4.400 4.314 3.706 4.486 0.086 1 0 "[ . ]" 3
51 1 52 ASN O 1 56 GLU H 2.000 . 2.500 2.596 2.515 2.652 0.152 7 0 "[ . ]" 3
52 1 52 ASN O 1 56 GLU N 3.000 2.300 3.500 3.460 3.416 3.512 0.012 4 0 "[ . ]" 3
53 1 53 GLN O 1 57 LEU H 2.000 . 2.500 2.154 1.988 2.299 . 0 0 "[ . ]" 3
54 1 53 GLN O 1 57 LEU N 3.000 2.300 3.500 2.838 2.740 2.990 . 0 0 "[ . ]" 3
55 1 54 LYS O 1 58 GLN H 2.000 . 2.500 1.778 1.707 1.832 . 0 0 "[ . ]" 3
56 1 54 LYS O 1 58 GLN N 3.000 2.300 3.500 2.683 2.635 2.716 . 0 0 "[ . ]" 3
57 1 55 THR O 1 59 ALA H 2.000 . 2.500 2.274 2.067 2.404 . 0 0 "[ . ]" 3
58 1 55 THR O 1 59 ALA N 3.000 2.300 3.500 3.208 3.026 3.366 . 0 0 "[ . ]" 3
59 1 56 GLU O 1 60 ILE H 2.000 . 2.500 1.950 1.856 2.118 . 0 0 "[ . ]" 3
60 1 56 GLU O 1 60 ILE N 3.000 2.300 3.500 2.684 2.601 2.799 . 0 0 "[ . ]" 3
61 1 57 LEU O 1 61 TYR H 2.000 . 2.500 2.265 2.173 2.473 . 0 0 "[ . ]" 3
62 1 57 LEU O 1 61 TYR N 3.000 2.300 3.500 3.150 3.063 3.298 . 0 0 "[ . ]" 3
63 1 58 GLN O 1 62 LEU N 3.000 2.300 3.500 3.456 3.392 3.502 0.002 7 0 "[ . ]" 3
64 1 58 GLN O 1 62 LEU H 2.000 . 2.500 2.616 2.535 2.681 0.181 1 0 "[ . ]" 3
65 1 59 ALA O 1 63 ALA N 3.000 2.300 3.500 3.125 2.951 3.263 . 0 0 "[ . ]" 3
66 1 59 ALA O 1 63 ALA H 2.000 . 2.500 2.198 2.009 2.358 . 0 0 "[ . ]" 3
67 1 60 ILE O 1 64 LEU N 3.000 2.300 3.500 2.917 2.738 3.005 . 0 0 "[ . ]" 3
68 1 60 ILE O 1 64 LEU H 2.000 . 2.500 2.076 1.890 2.187 . 0 0 "[ . ]" 3
69 1 61 TYR O 1 65 GLN N 3.000 2.300 3.500 2.733 2.615 2.807 . 0 0 "[ . ]" 3
70 1 61 TYR O 1 65 GLN H 2.000 . 2.500 2.104 2.005 2.211 . 0 0 "[ . ]" 3
71 1 62 LEU O 1 66 ASP N 3.000 2.300 3.500 3.395 3.227 3.469 . 0 0 "[ . ]" 3
72 1 62 LEU O 1 66 ASP H 2.000 . 2.500 2.481 2.302 2.570 0.070 7 0 "[ . ]" 3
73 1 78 GLN O 1 82 GLY H 2.000 . 2.500 2.551 2.530 2.595 0.095 4 0 "[ . ]" 3
74 1 78 GLN O 1 82 GLY N 3.000 2.300 3.500 3.310 3.222 3.357 . 0 0 "[ . ]" 3
75 1 79 TYR O 1 83 ILE H 2.000 . 2.500 1.773 1.660 1.886 . 0 0 "[ . ]" 3
76 1 79 TYR O 1 83 ILE N 3.000 2.300 3.500 2.726 2.626 2.813 . 0 0 "[ . ]" 3
77 1 80 ALA O 1 84 ILE H 2.000 . 2.500 2.275 1.900 2.512 0.012 6 0 "[ . ]" 3
78 1 80 ALA O 1 84 ILE N 3.000 2.300 3.500 2.663 2.486 2.840 . 0 0 "[ . ]" 3
79 1 94 GLU O 1 98 GLN H 2.000 . 2.500 2.566 2.533 2.615 0.115 7 0 "[ . ]" 3
80 1 94 GLU O 1 98 GLN N 3.000 2.300 3.500 3.473 3.433 3.496 . 0 0 "[ . ]" 3
81 1 95 LEU O 1 99 ILE H 2.000 . 2.500 2.128 1.963 2.342 . 0 0 "[ . ]" 3
82 1 95 LEU O 1 99 ILE N 3.000 2.300 3.500 3.052 2.880 3.293 . 0 0 "[ . ]" 3
83 1 96 VAL O 1 100 ILE H 2.000 . 2.500 2.032 1.881 2.333 . 0 0 "[ . ]" 3
84 1 96 VAL O 1 100 ILE N 3.000 2.300 3.500 2.947 2.762 3.173 . 0 0 "[ . ]" 3
85 1 97 ASN O 1 101 GLU H 2.000 . 2.500 2.242 2.073 2.440 . 0 0 "[ . ]" 3
86 1 97 ASN O 1 101 GLU N 3.000 2.300 3.500 3.209 3.046 3.401 . 0 0 "[ . ]" 3
87 1 98 GLN O 1 102 GLN H 2.000 . 2.500 2.531 2.514 2.561 0.061 4 0 "[ . ]" 3
88 1 98 GLN O 1 102 GLN N 3.000 2.300 3.500 3.404 3.350 3.447 . 0 0 "[ . ]" 3
89 1 99 ILE O 1 103 LEU H 2.000 . 2.500 2.120 1.930 2.365 . 0 0 "[ . ]" 3
90 1 99 ILE O 1 103 LEU N 3.000 2.300 3.500 2.886 2.622 3.160 . 0 0 "[ . ]" 3
91 1 100 ILE O 1 104 ILE H 2.000 . 2.500 1.917 1.861 1.995 . 0 0 "[ . ]" 3
92 1 100 ILE O 1 104 ILE N 3.000 2.300 3.500 2.715 2.618 2.807 . 0 0 "[ . ]" 3
93 1 101 GLU O 1 105 LYS H 2.000 . 2.500 2.598 2.566 2.636 0.136 6 0 "[ . ]" 3
94 1 101 GLU O 1 105 LYS N 3.000 2.300 3.500 3.492 3.469 3.517 0.017 7 0 "[ . ]" 3
stop_
save_
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