NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627862 |
5w0y   |
30301 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5w0y
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 1432
_Distance_constraint_stats_list.Viol_count 3470
_Distance_constraint_stats_list.Viol_total 5664.098
_Distance_constraint_stats_list.Viol_max 0.836
_Distance_constraint_stats_list.Viol_rms 0.0395
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0816
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.610 0.120 7 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 13.201 0.757 2 5 "[ + . 1* *-. * 2]"
1 7 CYS 4.026 0.324 4 0 "[ . 1 . 2]"
1 8 ASN 1.828 0.313 7 0 "[ . 1 . 2]"
1 9 ALA 3.406 0.313 7 0 "[ . 1 . 2]"
1 10 GLY 0.966 0.189 19 0 "[ . 1 . 2]"
1 11 PRO 1.958 0.109 12 0 "[ . 1 . 2]"
1 12 VAL 8.784 0.757 2 5 "[ + . 1* *-. * 2]"
1 13 GLN 6.042 0.836 1 1 "[+ . 1 . 2]"
1 14 CYS 4.025 0.142 20 0 "[ . 1 . 2]"
1 15 CYS 6.580 0.160 12 0 "[ . 1 . 2]"
1 16 ASN 10.164 0.162 1 0 "[ . 1 . 2]"
1 17 THR 6.417 0.142 8 0 "[ . 1 . 2]"
1 18 LEU 7.963 0.140 5 0 "[ . 1 . 2]"
1 19 THR 11.224 0.326 16 0 "[ . 1 . 2]"
1 20 SER 5.997 0.390 10 0 "[ . 1 . 2]"
1 21 ALA 7.936 0.390 10 0 "[ . 1 . 2]"
1 22 SER 0.610 0.064 15 0 "[ . 1 . 2]"
1 23 ASN 4.104 0.145 7 0 "[ . 1 . 2]"
1 24 SER 2.355 0.323 1 0 "[ . 1 . 2]"
1 25 GLN 11.690 0.705 16 2 "[ . 1 .+ -]"
1 26 ALA 5.341 0.149 3 0 "[ . 1 . 2]"
1 27 ALA 4.400 0.122 16 0 "[ . 1 . 2]"
1 28 GLY 0.020 0.016 7 0 "[ . 1 . 2]"
1 29 LEU 21.881 0.300 14 0 "[ . 1 . 2]"
1 30 ILE 15.437 0.173 16 0 "[ . 1 . 2]"
1 31 GLN 11.928 0.150 8 0 "[ . 1 . 2]"
1 32 GLN 10.609 0.256 6 0 "[ . 1 . 2]"
1 33 LEU 13.148 0.770 6 1 "[ .+ 1 . 2]"
1 34 GLY 3.123 0.108 2 0 "[ . 1 . 2]"
1 35 LEU 5.672 0.352 17 0 "[ . 1 . 2]"
1 36 SER 3.422 0.361 8 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 6.596 0.228 16 0 "[ . 1 . 2]"
1 39 GLY 1.846 0.204 10 0 "[ . 1 . 2]"
1 40 ALA 7.368 0.741 12 6 "[ * . * 1 + .* -*]"
1 41 ASN 4.636 0.741 12 6 "[ * . * 1 + .* -*]"
1 42 VAL 17.475 0.228 16 0 "[ . 1 . 2]"
1 43 PRO 12.851 0.183 12 0 "[ . 1 . 2]"
1 44 VAL 7.259 0.169 8 0 "[ . 1 . 2]"
1 45 GLY 2.839 0.134 14 0 "[ . 1 . 2]"
1 46 ILE 22.002 0.705 16 2 "[ . 1 .+ -]"
1 47 ASN 3.468 0.187 11 0 "[ . 1 . 2]"
1 48 CYS 7.804 0.201 6 0 "[ . 1 . 2]"
1 49 ASN 10.215 0.402 1 0 "[ . 1 . 2]"
1 50 PRO 11.246 0.836 1 1 "[+ . 1 . 2]"
1 51 ILE 5.254 0.128 9 0 "[ . 1 . 2]"
1 52 THR 5.632 0.228 20 0 "[ . 1 . 2]"
1 53 GLY 0.167 0.057 19 0 "[ . 1 . 2]"
1 54 ILE 2.500 0.243 14 0 "[ . 1 . 2]"
1 55 GLY 4.189 0.667 7 2 "[ . + 1 . -2]"
1 56 ALA 2.407 0.667 7 2 "[ . + 1 . -2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.481 0.117 13 0 "[ . 1 . 2]"
1 61 SER 5.954 0.535 13 8 "[ * * * -+*. ** 2]"
1 62 CYS 0.960 0.189 16 0 "[ . 1 . 2]"
1 63 ASN 1.595 0.488 2 0 "[ . 1 . 2]"
1 64 ALA 3.031 0.488 2 0 "[ . 1 . 2]"
1 65 ASN 2.170 0.116 19 0 "[ . 1 . 2]"
1 66 PRO 4.780 0.328 1 0 "[ . 1 . 2]"
1 67 ALA 2.643 0.121 16 0 "[ . 1 . 2]"
1 68 CYS 5.447 0.326 7 0 "[ . 1 . 2]"
1 69 CYS 1.129 0.142 10 0 "[ . 1 . 2]"
1 70 ASP 2.222 0.143 20 0 "[ . 1 . 2]"
1 71 ASN 3.212 0.146 12 0 "[ . 1 . 2]"
1 72 VAL 2.293 0.146 2 0 "[ . 1 . 2]"
1 73 TYR 3.294 0.146 2 0 "[ . 1 . 2]"
1 74 THR 2.669 0.151 1 0 "[ . 1 . 2]"
1 75 ASN 9.256 0.770 6 1 "[ .+ 1 . 2]"
1 76 GLY 2.250 0.151 1 0 "[ . 1 . 2]"
1 77 LEU 20.339 0.296 17 0 "[ . 1 . 2]"
1 78 GLY 2.086 0.143 16 0 "[ . 1 . 2]"
1 79 VAL 6.779 0.169 8 0 "[ . 1 . 2]"
1 80 GLN 10.926 0.191 18 0 "[ . 1 . 2]"
1 81 CYS 8.502 0.191 18 0 "[ . 1 . 2]"
1 82 ASN 4.401 0.405 7 0 "[ . 1 . 2]"
1 83 PRO 3.772 0.405 7 0 "[ . 1 . 2]"
1 84 ILE 14.372 0.687 2 2 "[ + . 1 -. 2]"
1 85 ASN 7.937 0.679 11 2 "[ . 1+ - 2]"
1 86 VAL 8.093 0.282 17 0 "[ . 1 . 2]"
1 87 ASN 5.022 0.282 17 0 "[ . 1 . 2]"
1 88 LEU 4.387 0.679 11 2 "[ . 1+ - 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 LEU MD2 1 18 LEU HG 2.264 . 2.905 2.125 2.121 2.128 . 0 0 "[ . 1 . 2]" 1
2 1 18 LEU MD2 1 19 THR H 2.854 . 3.872 3.478 3.343 3.690 . 0 0 "[ . 1 . 2]" 1
3 1 18 LEU MD2 1 46 ILE H 2.966 . 4.066 3.251 3.113 3.372 . 0 0 "[ . 1 . 2]" 1
4 1 19 THR MG 1 46 ILE MD 2.014 . 2.521 1.838 1.779 1.877 . 0 0 "[ . 1 . 2]" 1
5 1 46 ILE MD 1 46 ILE HG12 1.926 . 2.390 2.097 2.084 2.102 . 0 0 "[ . 1 . 2]" 1
6 1 46 ILE MD 1 46 ILE HG13 2.355 . 3.048 2.099 2.089 2.103 . 0 0 "[ . 1 . 2]" 1
7 1 19 THR MG 1 44 VAL MG2 2.073 . 2.610 2.461 2.301 2.548 . 0 0 "[ . 1 . 2]" 1
8 1 85 ASN HA 1 85 ASN HB3 2.831 . 3.833 3.025 3.014 3.036 . 0 0 "[ . 1 . 2]" 1
9 1 85 ASN HB3 1 85 ASN HD22 2.745 . 3.687 2.597 2.216 3.462 . 0 0 "[ . 1 . 2]" 1
10 1 85 ASN HB3 1 85 ASN HD21 3.201 . 4.481 3.645 3.474 4.047 . 0 0 "[ . 1 . 2]" 1
11 1 44 VAL HA 1 44 VAL MG2 2.933 . 4.008 3.196 3.190 3.201 . 0 0 "[ . 1 . 2]" 1
12 1 44 VAL MG2 1 79 VAL HA 3.349 . 4.751 4.874 4.830 4.920 0.169 8 0 "[ . 1 . 2]" 1
13 1 44 VAL MG2 1 46 ILE HA 3.457 . 4.951 4.537 4.476 4.641 . 0 0 "[ . 1 . 2]" 1
14 1 21 ALA HA 1 44 VAL MG2 2.191 . 2.791 2.427 2.254 2.657 . 0 0 "[ . 1 . 2]" 1
15 1 44 VAL HB 1 44 VAL MG2 2.096 . 2.645 2.115 2.112 2.118 . 0 0 "[ . 1 . 2]" 1
16 1 30 ILE QG 1 44 VAL MG2 3.411 . 4.865 4.175 4.031 4.325 . 0 0 "[ . 1 . 2]" 1
17 1 26 ALA MB 1 44 VAL MG2 1.911 . 2.368 1.703 1.684 1.737 . 0 0 "[ . 1 . 2]" 1
18 1 44 VAL MG1 1 44 VAL MG2 1.820 . 2.234 2.064 2.057 2.068 . 0 0 "[ . 1 . 2]" 1
19 1 44 VAL MG2 1 45 GLY H 2.853 . 3.871 3.409 3.159 3.597 . 0 0 "[ . 1 . 2]" 1
20 1 44 VAL H 1 44 VAL MG2 2.256 . 2.892 2.233 2.189 2.293 . 0 0 "[ . 1 . 2]" 1
21 1 19 THR H 1 44 VAL MG2 2.712 . 3.632 3.061 2.998 3.130 . 0 0 "[ . 1 . 2]" 1
22 1 21 ALA H 1 44 VAL MG2 2.749 . 3.694 3.350 3.227 3.528 . 0 0 "[ . 1 . 2]" 1
23 1 44 VAL MG2 1 45 GLY HA2 3.355 . 4.762 3.716 3.516 3.887 . 0 0 "[ . 1 . 2]" 1
24 1 83 PRO HB3 1 83 PRO HG2 2.117 . 2.677 2.684 2.675 2.702 0.025 7 0 "[ . 1 . 2]" 1
25 1 18 LEU MD1 1 83 PRO HB3 2.580 . 3.412 2.573 2.301 2.702 . 0 0 "[ . 1 . 2]" 1
26 1 83 PRO HB3 1 84 ILE H 3.068 . 4.244 3.451 3.209 3.651 . 0 0 "[ . 1 . 2]" 1
27 1 69 CYS QB 1 78 GLY HA3 3.056 . 4.224 3.244 2.886 3.519 . 0 0 "[ . 1 . 2]" 1
28 1 77 LEU MD2 1 78 GLY HA3 2.932 . 4.006 4.099 4.064 4.149 0.143 16 0 "[ . 1 . 2]" 1
29 1 72 VAL QG 1 78 GLY HA3 2.508 . 3.294 3.013 2.403 3.285 . 0 0 "[ . 1 . 2]" 1
30 1 72 VAL HA 1 78 GLY HA3 3.220 . 4.516 3.487 3.394 3.631 . 0 0 "[ . 1 . 2]" 1
31 1 78 GLY HA3 1 79 VAL HA 3.337 . 4.729 4.509 4.453 4.584 . 0 0 "[ . 1 . 2]" 1
32 1 45 GLY H 1 78 GLY HA3 3.199 . 4.478 2.961 2.753 3.179 . 0 0 "[ . 1 . 2]" 1
33 1 78 GLY HA3 1 79 VAL H 2.442 . 3.187 3.009 2.927 3.095 . 0 0 "[ . 1 . 2]" 1
34 1 88 LEU HA 1 88 LEU MD2 2.887 . 3.929 3.749 1.943 3.887 . 0 0 "[ . 1 . 2]" 1
35 1 54 ILE HA 1 54 ILE MD 3.288 . 4.640 2.989 2.000 3.855 . 0 0 "[ . 1 . 2]" 1
36 1 54 ILE HB 1 54 ILE MD 2.728 . 3.658 2.793 2.393 3.241 . 0 0 "[ . 1 . 2]" 1
37 1 54 ILE MD 1 54 ILE HG12 2.005 . 2.507 2.117 2.116 2.119 . 0 0 "[ . 1 . 2]" 1
38 1 22 SER QB 1 40 ALA MB 1.784 . 2.182 1.798 1.740 1.870 . 0 0 "[ . 1 . 2]" 1
39 1 40 ALA H 1 40 ALA MB 2.004 . 2.506 2.266 2.226 2.418 . 0 0 "[ . 1 . 2]" 1
40 1 11 PRO HB2 1 52 THR MG 2.952 . 4.041 3.720 3.296 4.104 0.063 11 0 "[ . 1 . 2]" 1
41 1 11 PRO HB2 1 51 ILE H 3.383 . 4.814 4.641 4.413 4.829 0.015 19 0 "[ . 1 . 2]" 1
42 1 11 PRO HB2 1 13 GLN HE22 3.330 . 4.716 3.683 2.943 4.087 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN HB3 1 84 ILE MD 2.578 . 3.409 2.490 2.110 3.175 . 0 0 "[ . 1 . 2]" 1
44 1 84 ILE HB 1 84 ILE MD 2.398 . 3.117 3.214 3.191 3.222 0.105 20 0 "[ . 1 . 2]" 1
45 1 84 ILE MD 1 84 ILE HG13 2.147 . 2.723 2.113 2.104 2.117 . 0 0 "[ . 1 . 2]" 1
46 1 84 ILE MD 1 85 ASN H 3.327 . 4.711 3.498 3.346 3.625 . 0 0 "[ . 1 . 2]" 1
47 1 60 SER HA 1 60 SER QB 2.232 . 2.855 2.258 2.172 2.374 . 0 0 "[ . 1 . 2]" 1
48 1 18 LEU HA 1 45 GLY HA3 2.992 . 4.111 4.218 4.176 4.245 0.134 14 0 "[ . 1 . 2]" 1
49 1 15 CYS HB2 1 18 LEU HA 3.293 . 4.649 4.218 4.035 4.413 . 0 0 "[ . 1 . 2]" 1
50 1 18 LEU HA 1 18 LEU HB2 2.578 . 3.409 3.017 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
51 1 18 LEU HA 1 18 LEU HB3 2.451 . 3.202 2.532 2.501 2.564 . 0 0 "[ . 1 . 2]" 1
52 1 18 LEU HA 1 18 LEU HG 2.787 . 3.758 3.031 3.002 3.066 . 0 0 "[ . 1 . 2]" 1
53 1 18 LEU HA 1 18 LEU MD1 2.941 . 4.022 3.822 3.801 3.840 . 0 0 "[ . 1 . 2]" 1
54 1 18 LEU H 1 18 LEU HA 2.650 . 3.528 2.933 2.922 2.944 . 0 0 "[ . 1 . 2]" 1
55 1 18 LEU HA 1 45 GLY HA2 2.566 . 3.389 2.640 2.608 2.689 . 0 0 "[ . 1 . 2]" 1
56 1 13 GLN HB2 1 48 CYS HB2 3.338 . 4.731 4.810 4.590 4.870 0.139 1 0 "[ . 1 . 2]" 1
57 1 13 GLN HB2 1 13 GLN HG2 2.867 . 3.895 2.474 2.425 2.565 . 0 0 "[ . 1 . 2]" 1
58 1 13 GLN HB2 1 14 CYS H 3.164 . 4.415 3.741 3.295 3.981 . 0 0 "[ . 1 . 2]" 1
59 1 88 LEU HB2 1 88 LEU MD1 2.661 . 3.546 2.360 2.228 3.209 . 0 0 "[ . 1 . 2]" 1
60 1 85 ASN HA 1 88 LEU HB2 3.393 . 4.832 3.591 1.923 4.672 0.031 13 0 "[ . 1 . 2]" 1
61 1 47 ASN HA 1 47 ASN HB2 2.333 . 3.013 2.589 2.521 2.678 . 0 0 "[ . 1 . 2]" 1
62 1 47 ASN HA 1 47 ASN HB3 2.375 . 3.080 3.007 2.978 3.027 . 0 0 "[ . 1 . 2]" 1
63 1 47 ASN HA 1 48 CYS H 2.223 . 2.841 2.561 2.471 2.640 . 0 0 "[ . 1 . 2]" 1
64 1 47 ASN H 1 47 ASN HA 2.027 . 2.541 2.277 2.269 2.285 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASN H 1 47 ASN HA 3.343 . 4.740 4.577 4.503 4.707 . 0 0 "[ . 1 . 2]" 1
66 1 35 LEU HB3 1 38 VAL MG2 2.359 . 3.055 2.143 1.995 2.394 . 0 0 "[ . 1 . 2]" 1
67 1 35 LEU HB3 1 35 LEU QD 2.601 . 3.241 2.113 2.097 2.290 . 0 0 "[ . 1 . 2]" 1
68 1 35 LEU H 1 35 LEU HB3 2.647 . 3.523 3.520 3.482 3.546 0.023 1 0 "[ . 1 . 2]" 1
69 1 46 ILE HA 1 46 ILE HB 2.864 . 3.889 3.014 3.005 3.019 . 0 0 "[ . 1 . 2]" 1
70 1 46 ILE HA 1 46 ILE HG13 2.925 . 3.994 2.726 2.678 2.792 . 0 0 "[ . 1 . 2]" 1
71 1 29 LEU MD1 1 46 ILE HA 2.514 . 3.304 2.788 2.557 2.920 . 0 0 "[ . 1 . 2]" 1
72 1 46 ILE HA 1 46 ILE MD 2.639 . 3.509 2.364 2.246 2.519 . 0 0 "[ . 1 . 2]" 1
73 1 46 ILE HA 1 47 ASN H 2.137 . 2.708 2.168 2.152 2.189 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLN HG3 1 12 VAL QG 2.662 . 3.548 3.704 3.398 4.305 0.757 2 5 "[ + . 1* *-. * 2]" 1
75 1 6 GLN HG3 1 84 ILE MD 2.782 . 3.750 3.694 2.739 4.437 0.687 2 2 "[ + . 1 -. 2]" 1
76 1 23 ASN HB2 1 26 ALA MB 2.718 . 3.641 3.652 3.559 3.689 0.048 13 0 "[ . 1 . 2]" 1
77 1 19 THR MG 1 23 ASN HB2 2.531 . 3.332 2.620 2.427 2.722 . 0 0 "[ . 1 . 2]" 1
78 1 19 THR HB 1 23 ASN HB2 3.416 . 4.874 4.231 4.037 4.451 . 0 0 "[ . 1 . 2]" 1
79 1 23 ASN H 1 23 ASN HB2 2.206 . 2.814 2.430 2.380 2.488 . 0 0 "[ . 1 . 2]" 1
80 1 73 TYR HB2 1 77 LEU HB3 2.981 . 4.092 2.825 2.672 2.896 . 0 0 "[ . 1 . 2]" 1
81 1 73 TYR HB2 1 77 LEU HB2 3.275 . 4.616 4.282 4.141 4.397 . 0 0 "[ . 1 . 2]" 1
82 1 72 VAL QG 1 73 TYR HB2 3.080 . 4.266 4.306 4.168 4.412 0.146 2 0 "[ . 1 . 2]" 1
83 1 33 LEU MD1 1 73 TYR HB2 2.583 . 3.417 2.397 2.145 2.530 . 0 0 "[ . 1 . 2]" 1
84 1 73 TYR HB2 1 77 LEU H 2.470 . 3.232 2.993 2.873 3.154 . 0 0 "[ . 1 . 2]" 1
85 1 30 ILE QG 1 77 LEU HG 2.867 . 3.895 2.645 2.550 2.732 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL HB 1 12 VAL QG 2.160 . 2.539 1.898 1.894 1.900 . 0 0 "[ . 1 . 2]" 1
87 1 30 ILE QG 1 31 GLN H 3.441 . 4.921 3.975 3.937 4.007 . 0 0 "[ . 1 . 2]" 1
88 1 27 ALA MB 1 31 GLN HB2 3.073 . 4.254 4.290 4.254 4.331 0.077 9 0 "[ . 1 . 2]" 1
89 1 31 GLN HB2 1 31 GLN HG3 1.819 . 2.233 2.348 2.314 2.383 0.150 8 0 "[ . 1 . 2]" 1
90 1 31 GLN H 1 31 GLN HB2 1.841 . 2.265 2.266 2.226 2.284 0.019 5 0 "[ . 1 . 2]" 1
91 1 49 ASN H 1 49 ASN HB2 2.832 . 3.835 3.806 3.751 3.888 0.053 17 0 "[ . 1 . 2]" 1
92 1 49 ASN HB2 1 49 ASN HD22 2.614 . 3.468 3.372 2.882 3.468 0.000 13 0 "[ . 1 . 2]" 1
93 1 49 ASN HB2 1 49 ASN HD21 3.011 . 4.144 4.001 3.760 4.048 . 0 0 "[ . 1 . 2]" 1
94 1 33 LEU MD1 1 73 TYR HB3 2.567 . 3.391 3.113 2.887 3.251 . 0 0 "[ . 1 . 2]" 1
95 1 32 GLN HB2 1 33 LEU MD1 3.206 . 4.491 4.484 4.385 4.534 0.043 14 0 "[ . 1 . 2]" 1
96 1 33 LEU MD1 1 33 LEU HG 1.858 . 2.290 2.112 2.104 2.115 . 0 0 "[ . 1 . 2]" 1
97 1 33 LEU MD1 1 77 LEU HB2 2.339 . 3.023 2.811 2.608 2.896 . 0 0 "[ . 1 . 2]" 1
98 1 33 LEU MD1 1 77 LEU MD2 2.686 . 3.588 3.708 3.657 3.768 0.180 17 0 "[ . 1 . 2]" 1
99 1 33 LEU MD1 1 75 ASN HD22 2.952 . 4.041 3.665 2.746 3.797 . 0 0 "[ . 1 . 2]" 1
100 1 33 LEU MD1 1 77 LEU H 2.753 . 3.701 3.684 3.241 3.750 0.049 4 0 "[ . 1 . 2]" 1
101 1 33 LEU H 1 33 LEU MD1 2.615 . 3.470 3.453 3.408 3.503 0.033 15 0 "[ . 1 . 2]" 1
102 1 33 LEU MD1 1 75 ASN HD21 2.528 . 3.327 2.357 2.035 4.097 0.770 6 1 "[ .+ 1 . 2]" 1
103 1 11 PRO HA 1 11 PRO HB3 2.160 . 2.743 2.326 2.309 2.344 . 0 0 "[ . 1 . 2]" 1
104 1 11 PRO HA 1 11 PRO HB2 2.359 . 3.054 2.669 2.654 2.697 . 0 0 "[ . 1 . 2]" 1
105 1 11 PRO HA 1 12 VAL QG 2.847 . 3.860 3.395 3.302 3.487 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO HA 1 12 VAL H 2.019 . 2.529 2.376 2.284 2.553 0.024 7 0 "[ . 1 . 2]" 1
107 1 61 SER HA 1 61 SER HB2 1.996 . 2.494 2.725 2.448 3.029 0.535 13 8 "[ * * * -+*. ** 2]" 1
108 1 21 ALA MB 1 38 VAL HB 3.149 . 4.389 3.607 3.275 3.868 . 0 0 "[ . 1 . 2]" 1
109 1 38 VAL HB 1 39 GLY H 3.381 . 4.810 4.301 4.134 4.356 . 0 0 "[ . 1 . 2]" 1
110 1 13 GLN HG2 1 72 VAL QG 3.085 . 4.275 3.299 2.961 3.913 . 0 0 "[ . 1 . 2]" 1
111 1 13 GLN HB3 1 13 GLN HG2 2.839 . 3.846 3.002 2.994 3.009 . 0 0 "[ . 1 . 2]" 1
112 1 12 VAL HA 1 13 GLN HG2 3.459 . 4.954 3.546 3.256 3.755 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLN HE22 1 13 GLN HG2 2.854 . 3.872 2.389 2.199 2.953 . 0 0 "[ . 1 . 2]" 1
114 1 13 GLN HE21 1 13 GLN HG2 2.917 . 3.981 3.553 3.469 3.804 . 0 0 "[ . 1 . 2]" 1
115 1 44 VAL MG2 1 46 ILE MD 1.636 . 1.971 2.042 2.005 2.104 0.133 20 0 "[ . 1 . 2]" 1
116 1 19 THR HB 1 46 ILE MD 3.222 . 4.520 4.016 3.906 4.077 . 0 0 "[ . 1 . 2]" 1
117 1 25 GLN HG2 1 46 ILE MD 2.818 . 3.811 3.881 3.755 4.516 0.705 16 2 "[ . 1 .+ -]" 1
118 1 25 GLN QB 1 46 ILE MD 2.365 . 3.064 3.103 2.612 3.187 0.123 18 0 "[ . 1 . 2]" 1
119 1 46 ILE HB 1 46 ILE MD 2.442 . 3.188 2.642 2.576 2.692 . 0 0 "[ . 1 . 2]" 1
120 1 26 ALA H 1 46 ILE MD 2.772 . 3.733 3.314 3.136 3.422 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLN HB2 1 12 VAL QG 2.974 . 4.079 1.957 1.832 2.137 0.037 14 0 "[ . 1 . 2]" 1
122 1 6 GLN HB2 1 84 ILE MD 3.020 . 4.160 3.288 2.602 4.185 0.025 6 0 "[ . 1 . 2]" 1
123 1 6 GLN HB2 1 6 GLN HG3 1.923 . 2.385 2.548 2.333 3.000 0.615 13 5 "[ - . 1* +*. * 2]" 1
124 1 85 ASN HB2 1 88 LEU HB2 3.237 . 4.547 4.359 3.290 5.226 0.679 11 2 "[ . 1+ - 2]" 1
125 1 14 CYS HB3 1 51 ILE HG13 3.028 . 4.174 4.142 3.941 4.220 0.046 17 0 "[ . 1 . 2]" 1
126 1 14 CYS HB3 1 51 ILE HG12 2.920 . 3.986 2.820 2.675 2.888 . 0 0 "[ . 1 . 2]" 1
127 1 14 CYS HB3 1 51 ILE MG 2.977 . 4.085 4.154 4.080 4.213 0.128 9 0 "[ . 1 . 2]" 1
128 1 14 CYS HB3 1 51 ILE MD 2.842 . 3.851 3.683 3.539 3.799 . 0 0 "[ . 1 . 2]" 1
129 1 32 GLN HB2 1 75 ASN HD21 3.092 . 4.287 3.958 2.720 4.246 . 0 0 "[ . 1 . 2]" 1
130 1 48 CYS HA 1 48 CYS HB3 2.539 . 3.345 2.622 2.422 2.906 . 0 0 "[ . 1 . 2]" 1
131 1 48 CYS HA 1 48 CYS HB2 2.625 . 3.486 2.924 2.758 3.022 . 0 0 "[ . 1 . 2]" 1
132 1 48 CYS H 1 48 CYS HA 2.842 . 3.851 2.917 2.906 2.935 . 0 0 "[ . 1 . 2]" 1
133 1 16 ASN H 1 48 CYS HA 2.814 . 3.804 3.787 3.576 3.894 0.090 11 0 "[ . 1 . 2]" 1
134 1 48 CYS HA 1 49 ASN HD22 3.070 . 4.248 3.909 3.672 4.299 0.051 7 0 "[ . 1 . 2]" 1
135 1 15 CYS HA 1 48 CYS HA 2.131 . 2.699 2.053 1.923 2.163 . 0 0 "[ . 1 . 2]" 1
136 1 27 ALA MB 1 31 GLN HG2 3.222 . 4.519 4.473 4.356 4.580 0.061 1 0 "[ . 1 . 2]" 1
137 1 79 VAL QG 1 80 GLN HG3 2.757 . 3.707 3.227 2.884 3.420 . 0 0 "[ . 1 . 2]" 1
138 1 30 ILE MG 1 31 GLN HG2 2.881 . 3.919 3.776 3.589 3.919 0.000 12 0 "[ . 1 . 2]" 1
139 1 31 GLN HA 1 31 GLN HG2 2.583 . 3.417 2.370 2.311 2.428 . 0 0 "[ . 1 . 2]" 1
140 1 80 GLN HA 1 80 GLN HG3 2.903 . 3.956 3.691 3.635 3.767 . 0 0 "[ . 1 . 2]" 1
141 1 80 GLN H 1 80 GLN HG3 3.303 . 4.667 4.376 4.178 4.484 . 0 0 "[ . 1 . 2]" 1
142 1 80 GLN HE22 1 80 GLN HG3 2.796 . 3.773 2.901 2.835 3.430 . 0 0 "[ . 1 . 2]" 1
143 1 31 GLN HE22 1 31 GLN HG2 3.064 . 4.238 3.110 2.234 3.494 . 0 0 "[ . 1 . 2]" 1
144 1 31 GLN H 1 31 GLN HG2 2.656 . 3.538 3.588 3.561 3.624 0.086 9 0 "[ . 1 . 2]" 1
145 1 49 ASN HB3 1 50 PRO HD2 3.032 . 4.181 3.869 3.488 4.016 . 0 0 "[ . 1 . 2]" 1
146 1 49 ASN HB3 1 50 PRO HD3 2.620 . 3.478 3.594 3.516 3.679 0.201 1 0 "[ . 1 . 2]" 1
147 1 49 ASN HB3 1 49 ASN HD22 2.613 . 3.466 2.430 2.220 3.527 0.061 18 0 "[ . 1 . 2]" 1
148 1 49 ASN HB3 1 49 ASN HD21 3.008 . 4.139 3.576 3.476 4.077 . 0 0 "[ . 1 . 2]" 1
149 1 49 ASN HA 1 49 ASN HB3 2.511 . 3.299 2.397 2.338 2.457 . 0 0 "[ . 1 . 2]" 1
150 1 12 VAL HA 1 12 VAL HB 2.531 . 3.331 2.546 2.501 2.570 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL HA 1 13 GLN H 2.052 . 2.579 2.166 2.123 2.210 . 0 0 "[ . 1 . 2]" 1
152 1 12 VAL H 1 12 VAL HA 2.592 . 3.432 2.862 2.816 2.901 . 0 0 "[ . 1 . 2]" 1
153 1 56 ALA HA 1 56 ALA MB 2.328 . 3.006 2.129 2.123 2.135 . 0 0 "[ . 1 . 2]" 1
154 1 31 GLN H 1 31 GLN HG3 2.660 . 3.544 2.527 2.423 2.622 . 0 0 "[ . 1 . 2]" 1
155 1 29 LEU MD1 1 46 ILE MD 2.466 . 3.226 3.290 3.262 3.363 0.137 20 0 "[ . 1 . 2]" 1
156 1 29 LEU HB2 1 29 LEU MD1 2.283 . 2.935 2.356 2.318 2.371 . 0 0 "[ . 1 . 2]" 1
157 1 29 LEU HB3 1 29 LEU MD1 2.298 . 2.958 2.329 2.309 2.363 . 0 0 "[ . 1 . 2]" 1
158 1 29 LEU MD1 1 46 ILE HG13 2.939 . 4.019 3.139 2.987 3.348 . 0 0 "[ . 1 . 2]" 1
159 1 29 LEU HA 1 29 LEU MD1 2.774 . 3.736 3.848 3.836 3.870 0.134 19 0 "[ . 1 . 2]" 1
160 1 29 LEU MD1 1 29 LEU HG 1.803 . 2.209 2.123 2.121 2.125 . 0 0 "[ . 1 . 2]" 1
161 1 29 LEU MD1 1 30 ILE H 3.270 . 4.607 4.222 4.142 4.278 . 0 0 "[ . 1 . 2]" 1
162 1 30 ILE HB 1 30 ILE MD 2.168 . 2.756 2.433 2.418 2.458 . 0 0 "[ . 1 . 2]" 1
163 1 30 ILE HA 1 30 ILE HB 2.957 . 4.050 3.010 3.005 3.014 . 0 0 "[ . 1 . 2]" 1
164 1 30 ILE HB 1 31 GLN HB2 3.127 . 4.349 4.391 4.373 4.409 0.060 14 0 "[ . 1 . 2]" 1
165 1 43 PRO HB3 1 43 PRO HD3 2.932 . 4.007 3.715 3.652 3.859 . 0 0 "[ . 1 . 2]" 1
166 1 43 PRO HD3 1 43 PRO HG2 2.187 . 2.785 2.806 2.756 2.826 0.041 6 0 "[ . 1 . 2]" 1
167 1 42 VAL MG2 1 43 PRO HD3 2.731 . 3.663 3.787 3.756 3.826 0.163 11 0 "[ . 1 . 2]" 1
168 1 42 VAL MG1 1 43 PRO HD3 2.379 . 3.086 3.042 2.952 3.104 0.018 15 0 "[ . 1 . 2]" 1
169 1 25 GLN HG3 1 46 ILE MD 3.139 . 4.371 3.729 3.543 4.012 . 0 0 "[ . 1 . 2]" 1
170 1 25 GLN H 1 25 GLN HG3 3.087 . 4.278 4.343 3.558 4.443 0.165 19 0 "[ . 1 . 2]" 1
171 1 71 ASN QB 1 79 VAL QG 3.124 . 4.071 2.082 1.825 2.954 0.103 1 0 "[ . 1 . 2]" 1
172 1 71 ASN HA 1 71 ASN QB 2.960 . 4.055 2.388 2.306 2.430 . 0 0 "[ . 1 . 2]" 1
173 1 71 ASN H 1 71 ASN QB 2.876 . 3.545 2.813 2.693 2.899 . 0 0 "[ . 1 . 2]" 1
174 1 71 ASN QB 1 71 ASN HD22 2.779 . 3.722 2.146 2.108 2.174 . 0 0 "[ . 1 . 2]" 1
175 1 71 ASN QB 1 71 ASN HD21 3.099 . 4.299 3.249 3.188 3.276 . 0 0 "[ . 1 . 2]" 1
176 1 71 ASN QB 1 73 TYR QE 2.738 . 3.645 2.922 2.580 3.195 . 0 0 "[ . 1 . 2]" 1
177 1 82 ASN HA 1 82 ASN HB2 2.289 . 2.944 2.535 2.457 3.014 0.070 7 0 "[ . 1 . 2]" 1
178 1 82 ASN HA 1 82 ASN HB3 2.473 . 3.238 2.384 2.347 2.424 . 0 0 "[ . 1 . 2]" 1
179 1 43 PRO HB2 1 82 ASN HA 3.108 . 4.316 4.315 4.043 4.414 0.098 12 0 "[ . 1 . 2]" 1
180 1 82 ASN HA 1 83 PRO HG3 3.109 . 4.317 3.927 3.852 4.071 . 0 0 "[ . 1 . 2]" 1
181 1 43 PRO HB3 1 82 ASN HA 3.331 . 4.718 4.351 4.058 4.648 . 0 0 "[ . 1 . 2]" 1
182 1 67 ALA MB 1 82 ASN HA 3.339 . 4.732 4.093 3.926 4.277 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU MD1 1 82 ASN HA 3.022 . 4.163 4.173 3.979 4.252 0.089 20 0 "[ . 1 . 2]" 1
184 1 82 ASN H 1 82 ASN HA 2.717 . 3.640 2.939 2.929 2.946 . 0 0 "[ . 1 . 2]" 1
185 1 38 VAL HA 1 38 VAL MG2 2.156 . 2.737 2.473 2.427 2.550 . 0 0 "[ . 1 . 2]" 1
186 1 38 VAL HB 1 38 VAL MG2 1.997 . 2.496 2.129 2.128 2.130 . 0 0 "[ . 1 . 2]" 1
187 1 38 VAL MG2 1 39 GLY H 3.114 . 4.326 4.262 4.216 4.327 0.001 1 0 "[ . 1 . 2]" 1
188 1 38 VAL H 1 38 VAL MG2 2.156 . 2.737 2.067 1.890 2.361 . 0 0 "[ . 1 . 2]" 1
189 1 50 PRO HB2 1 50 PRO HG2 2.021 . 2.532 2.303 2.247 2.317 . 0 0 "[ . 1 . 2]" 1
190 1 50 PRO HG2 1 52 THR MG 3.117 . 4.332 4.161 3.405 4.346 0.014 17 0 "[ . 1 . 2]" 1
191 1 50 PRO HA 1 50 PRO HG2 3.351 . 4.754 4.021 3.964 4.048 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLN HE21 1 50 PRO HG2 3.260 . 4.588 4.344 3.862 5.424 0.836 1 1 "[+ . 1 . 2]" 1
193 1 49 ASN HA 1 50 PRO HG2 3.131 . 4.356 4.449 4.401 4.758 0.402 1 0 "[ . 1 . 2]" 1
194 1 6 GLN HB3 1 12 VAL QG 3.005 . 4.133 3.138 2.711 3.579 . 0 0 "[ . 1 . 2]" 1
195 1 6 GLN HB3 1 6 GLN HG3 1.969 . 2.453 2.445 2.390 2.519 0.066 14 0 "[ . 1 . 2]" 1
196 1 7 CYS QB 1 68 CYS HB3 2.570 . 3.396 3.134 2.234 3.720 0.324 4 0 "[ . 1 . 2]" 1
197 1 7 CYS QB 1 12 VAL QG 3.222 . 4.289 2.876 2.495 3.720 . 0 0 "[ . 1 . 2]" 1
198 1 7 CYS QB 1 10 GLY H 3.370 . 4.789 3.526 2.878 3.792 . 0 0 "[ . 1 . 2]" 1
199 1 7 CYS QB 1 68 CYS HA 3.428 . 4.897 3.239 2.794 4.381 . 0 0 "[ . 1 . 2]" 1
200 1 7 CYS HA 1 7 CYS QB 2.902 . 3.954 2.323 2.285 2.405 . 0 0 "[ . 1 . 2]" 1
201 1 23 ASN HB3 1 46 ILE HG12 3.262 . 4.592 4.676 4.650 4.737 0.145 7 0 "[ . 1 . 2]" 1
202 1 23 ASN HB3 1 46 ILE MD 3.412 . 4.867 3.468 3.265 3.579 . 0 0 "[ . 1 . 2]" 1
203 1 23 ASN HA 1 23 ASN HB3 2.892 . 3.937 3.022 3.011 3.028 . 0 0 "[ . 1 . 2]" 1
204 1 23 ASN H 1 23 ASN HB3 2.201 . 2.807 2.705 2.649 2.753 . 0 0 "[ . 1 . 2]" 1
205 1 23 ASN HB3 1 26 ALA H 2.777 . 3.741 2.357 2.333 2.396 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLN HG3 1 72 VAL QG 2.758 . 3.709 2.151 1.894 2.777 0.035 3 0 "[ . 1 . 2]" 1
207 1 13 GLN HG3 1 67 ALA MB 3.456 . 4.949 4.218 3.894 4.441 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLN HA 1 13 GLN HG3 3.344 . 4.742 3.847 3.749 4.049 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLN HG3 1 48 CYS HB3 3.387 . 4.821 3.720 3.252 4.180 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLN HB3 1 13 GLN HG3 2.849 . 3.864 2.457 2.412 2.546 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLN H 1 13 GLN HG3 3.157 . 4.403 3.945 3.625 4.073 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLN HE22 1 13 GLN HG3 3.036 . 4.188 3.110 2.913 3.536 . 0 0 "[ . 1 . 2]" 1
213 1 13 GLN HE21 1 13 GLN HG3 3.201 . 4.482 3.869 3.775 4.079 . 0 0 "[ . 1 . 2]" 1
214 1 33 LEU MD1 1 33 LEU MD2 1.922 . 2.384 2.065 1.977 2.080 . 0 0 "[ . 1 . 2]" 1
215 1 33 LEU HA 1 33 LEU MD2 2.052 . 2.579 2.499 2.461 2.529 . 0 0 "[ . 1 . 2]" 1
216 1 29 LEU HA 1 33 LEU MD2 2.931 . 4.005 4.091 4.059 4.132 0.127 9 0 "[ . 1 . 2]" 1
217 1 33 LEU MD2 1 73 TYR HB3 2.564 . 3.386 2.805 2.651 2.998 . 0 0 "[ . 1 . 2]" 1
218 1 33 LEU MD2 1 73 TYR HB2 2.855 . 3.874 2.860 2.659 3.057 . 0 0 "[ . 1 . 2]" 1
219 1 33 LEU MD2 1 75 ASN HB2 3.393 . 4.832 3.514 2.125 3.693 . 0 0 "[ . 1 . 2]" 1
220 1 32 GLN HG3 1 33 LEU MD2 3.238 . 4.548 4.639 4.594 4.682 0.134 10 0 "[ . 1 . 2]" 1
221 1 32 GLN HB2 1 33 LEU MD2 3.042 . 4.198 3.018 2.907 3.168 . 0 0 "[ . 1 . 2]" 1
222 1 33 LEU MD2 1 33 LEU HG 2.100 . 2.651 2.115 2.101 2.120 . 0 0 "[ . 1 . 2]" 1
223 1 33 LEU MD2 1 75 ASN HD22 3.029 . 4.176 2.639 1.839 2.734 0.043 6 0 "[ . 1 . 2]" 1
224 1 33 LEU MD2 1 77 LEU H 2.746 . 3.688 3.927 3.886 3.984 0.296 17 0 "[ . 1 . 2]" 1
225 1 33 LEU H 1 33 LEU MD2 2.861 . 3.885 2.879 2.766 3.022 . 0 0 "[ . 1 . 2]" 1
226 1 33 LEU MD2 1 75 ASN HD21 2.917 . 3.980 2.219 2.087 3.158 . 0 0 "[ . 1 . 2]" 1
227 1 72 VAL HA 1 72 VAL QG 2.876 . 3.800 2.556 2.127 2.612 . 0 0 "[ . 1 . 2]" 1
228 1 48 CYS HB2 1 72 VAL QG 2.546 . 3.356 3.078 2.705 3.348 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLN HB3 1 72 VAL QG 3.380 . 4.487 3.275 2.763 3.639 . 0 0 "[ . 1 . 2]" 1
230 1 72 VAL QG 1 73 TYR H 2.559 . 3.377 2.405 2.288 2.603 . 0 0 "[ . 1 . 2]" 1
231 1 72 VAL QG 1 77 LEU H 3.245 . 4.561 3.989 3.195 4.442 . 0 0 "[ . 1 . 2]" 1
232 1 72 VAL QG 1 78 GLY HA2 3.021 . 3.349 2.849 2.321 3.173 . 0 0 "[ . 1 . 2]" 1
233 1 40 ALA HA 1 40 ALA MB 1.803 . 2.209 2.127 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
234 1 26 ALA HA 1 46 ILE HG13 2.654 . 3.535 3.465 3.258 3.574 0.039 15 0 "[ . 1 . 2]" 1
235 1 26 ALA HA 1 44 VAL MG2 2.852 . 3.869 3.478 3.349 3.634 . 0 0 "[ . 1 . 2]" 1
236 1 21 ALA H 1 40 ALA HA 3.302 . 4.665 3.939 3.638 4.348 . 0 0 "[ . 1 . 2]" 1
237 1 40 ALA H 1 40 ALA HA 2.396 . 3.114 2.872 2.839 2.946 . 0 0 "[ . 1 . 2]" 1
238 1 26 ALA HA 1 29 LEU H 2.874 . 3.906 3.621 3.503 3.719 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU MD2 1 81 CYS HA 3.160 . 4.408 4.421 4.303 4.471 0.063 18 0 "[ . 1 . 2]" 1
240 1 80 GLN HA 1 81 CYS HA 3.399 . 4.843 4.532 4.489 4.563 . 0 0 "[ . 1 . 2]" 1
241 1 81 CYS HA 1 81 CYS HB3 2.512 . 3.301 2.531 2.453 2.608 . 0 0 "[ . 1 . 2]" 1
242 1 81 CYS HA 1 81 CYS HB2 2.677 . 3.573 3.015 3.002 3.023 . 0 0 "[ . 1 . 2]" 1
243 1 68 CYS HA 1 69 CYS HA 3.133 . 4.360 4.367 4.350 4.384 0.024 1 0 "[ . 1 . 2]" 1
244 1 81 CYS HA 1 82 ASN H 2.116 . 2.676 2.117 2.077 2.155 . 0 0 "[ . 1 . 2]" 1
245 1 81 CYS H 1 81 CYS HA 2.790 . 3.763 2.909 2.891 2.928 . 0 0 "[ . 1 . 2]" 1
246 1 55 GLY HA3 1 56 ALA MB 3.122 . 4.340 4.279 3.824 5.007 0.667 7 2 "[ . + 1 . -2]" 1
247 1 54 ILE MG 1 55 GLY HA3 2.713 . 3.633 3.609 2.980 3.876 0.243 14 0 "[ . 1 . 2]" 1
248 1 84 ILE MG 1 86 VAL HA 2.913 . 3.974 4.026 3.929 4.118 0.144 13 0 "[ . 1 . 2]" 1
249 1 86 VAL HA 1 86 VAL HB 2.232 . 2.855 2.557 2.531 2.613 . 0 0 "[ . 1 . 2]" 1
250 1 30 ILE QG 1 35 LEU HB3 3.361 . 4.773 4.253 4.145 4.395 . 0 0 "[ . 1 . 2]" 1
251 1 30 ILE QG 1 35 LEU HB2 3.203 . 4.485 3.479 3.344 3.611 . 0 0 "[ . 1 . 2]" 1
252 1 30 ILE QG 1 77 LEU MD2 2.817 . 3.809 2.532 2.461 2.587 . 0 0 "[ . 1 . 2]" 1
253 1 30 ILE MD 1 30 ILE QG 2.091 . 2.506 1.876 1.873 1.882 . 0 0 "[ . 1 . 2]" 1
254 1 17 THR HA 1 17 THR HB 2.687 . 3.589 3.031 3.027 3.034 . 0 0 "[ . 1 . 2]" 1
255 1 17 THR HA 1 46 ILE HB 3.096 . 4.294 3.982 3.942 4.023 . 0 0 "[ . 1 . 2]" 1
256 1 17 THR HA 1 17 THR MG 2.203 . 2.810 2.411 2.361 2.447 . 0 0 "[ . 1 . 2]" 1
257 1 17 THR HA 1 18 LEU H 1.977 . 2.466 2.164 2.155 2.177 . 0 0 "[ . 1 . 2]" 1
258 1 17 THR H 1 17 THR HA 2.588 . 3.425 2.922 2.901 2.941 . 0 0 "[ . 1 . 2]" 1
259 1 17 THR HA 1 65 ASN HD21 2.763 . 3.717 3.266 2.478 3.683 . 0 0 "[ . 1 . 2]" 1
260 1 17 THR HA 1 65 ASN HD22 2.629 . 3.493 3.029 2.779 3.235 . 0 0 "[ . 1 . 2]" 1
261 1 12 VAL HA 1 12 VAL QG 2.176 . 2.768 2.199 2.169 2.228 . 0 0 "[ . 1 . 2]" 1
262 1 12 VAL QG 1 51 ILE HB 2.918 . 3.628 2.017 1.897 2.156 . 0 0 "[ . 1 . 2]" 1
263 1 4 SER QB 1 12 VAL QG 2.630 . 3.494 2.348 1.660 3.276 0.106 9 0 "[ . 1 . 2]" 1
264 1 70 ASP HB3 1 79 VAL QG 2.952 . 4.041 2.373 1.900 3.403 0.021 5 0 "[ . 1 . 2]" 1
265 1 79 VAL HB 1 79 VAL QG 2.059 . 2.589 1.886 1.882 1.889 . 0 0 "[ . 1 . 2]" 1
266 1 12 VAL H 1 12 VAL QG 2.104 . 2.657 1.781 1.767 1.799 0.066 1 0 "[ . 1 . 2]" 1
267 1 79 VAL QG 1 80 GLN H 2.521 . 3.315 2.533 2.333 2.747 . 0 0 "[ . 1 . 2]" 1
268 1 73 TYR QE 1 79 VAL QG 3.079 . 4.264 2.852 1.917 3.238 . 0 0 "[ . 1 . 2]" 1
269 1 25 GLN HA 1 25 GLN HG3 2.475 . 3.241 2.984 2.727 3.850 0.609 16 2 "[ . 1 .+ -]" 1
270 1 25 GLN HA 1 25 GLN QB 2.539 . 3.345 2.397 2.314 2.443 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLN HA 1 26 ALA H 2.791 . 3.764 3.528 3.519 3.540 . 0 0 "[ . 1 . 2]" 1
272 1 25 GLN QB 1 25 GLN HG2 1.914 . 2.372 2.164 2.143 2.334 . 0 0 "[ . 1 . 2]" 1
273 1 19 THR MG 1 25 GLN HG2 3.012 . 4.146 4.248 4.057 4.349 0.203 9 0 "[ . 1 . 2]" 1
274 1 25 GLN HG2 1 46 ILE MG 3.089 . 4.282 2.247 1.982 4.384 0.102 16 0 "[ . 1 . 2]" 1
275 1 25 GLN HA 1 25 GLN HG2 2.835 . 3.840 3.690 3.245 3.764 . 0 0 "[ . 1 . 2]" 1
276 1 25 GLN H 1 25 GLN HG2 3.295 . 4.652 4.323 2.027 4.590 . 0 0 "[ . 1 . 2]" 1
277 1 82 ASN HB3 1 82 ASN HD21 3.172 . 4.430 3.651 3.463 4.054 . 0 0 "[ . 1 . 2]" 1
278 1 39 GLY HA3 1 42 VAL MG2 2.593 . 3.434 2.790 2.368 2.941 . 0 0 "[ . 1 . 2]" 1
279 1 54 ILE HA 1 60 SER QB 2.961 . 4.057 3.524 2.230 4.165 0.108 19 0 "[ . 1 . 2]" 1
280 1 54 ILE HA 1 54 ILE HB 2.387 . 3.099 3.021 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
281 1 54 ILE HA 1 54 ILE HG13 3.030 . 4.178 3.321 2.349 3.811 . 0 0 "[ . 1 . 2]" 1
282 1 54 ILE HA 1 54 ILE HG12 2.788 . 3.759 2.844 2.483 3.617 . 0 0 "[ . 1 . 2]" 1
283 1 66 PRO HB2 1 84 ILE HB 2.129 . 2.696 2.023 1.843 2.177 . 0 0 "[ . 1 . 2]" 1
284 1 66 PRO HB2 1 84 ILE HG13 3.014 . 4.149 2.771 1.987 3.009 . 0 0 "[ . 1 . 2]" 1
285 1 66 PRO HB2 1 84 ILE HG12 2.356 . 3.050 3.036 2.638 3.378 0.328 1 0 "[ . 1 . 2]" 1
286 1 66 PRO HB2 1 84 ILE H 3.456 . 4.949 3.543 3.231 3.720 . 0 0 "[ . 1 . 2]" 1
287 1 32 GLN HB2 1 33 LEU HG 2.766 . 3.722 3.119 2.994 3.193 . 0 0 "[ . 1 . 2]" 1
288 1 29 LEU MD2 1 32 GLN HB2 2.859 . 3.881 3.787 3.634 3.907 0.026 12 0 "[ . 1 . 2]" 1
289 1 32 GLN HB2 1 32 GLN HG3 1.859 . 2.291 2.362 2.294 2.403 0.112 12 0 "[ . 1 . 2]" 1
290 1 32 GLN HB2 1 75 ASN HD22 2.725 . 3.653 3.355 3.037 3.595 . 0 0 "[ . 1 . 2]" 1
291 1 32 GLN HB2 1 33 LEU H 2.572 . 3.399 2.677 2.488 2.877 . 0 0 "[ . 1 . 2]" 1
292 1 29 LEU HA 1 32 GLN HB2 2.254 . 2.889 2.517 2.316 2.689 . 0 0 "[ . 1 . 2]" 1
293 1 29 LEU HA 1 29 LEU HG 2.609 . 3.460 3.143 3.115 3.165 . 0 0 "[ . 1 . 2]" 1
294 1 29 LEU HA 1 33 LEU HG 3.406 . 4.856 3.957 3.740 4.045 . 0 0 "[ . 1 . 2]" 1
295 1 29 LEU HA 1 29 LEU HB3 2.335 . 3.016 2.459 2.448 2.465 . 0 0 "[ . 1 . 2]" 1
296 1 29 LEU HA 1 29 LEU MD2 2.082 . 2.624 2.064 2.034 2.117 . 0 0 "[ . 1 . 2]" 1
297 1 29 LEU HA 1 30 ILE H 3.101 . 4.303 3.549 3.541 3.556 . 0 0 "[ . 1 . 2]" 1
298 1 29 LEU HA 1 32 GLN H 2.652 . 3.531 3.304 3.223 3.382 . 0 0 "[ . 1 . 2]" 1
299 1 29 LEU HA 1 75 ASN HD22 3.003 . 4.130 2.752 2.636 2.937 . 0 0 "[ . 1 . 2]" 1
300 1 29 LEU H 1 29 LEU HA 2.584 . 3.418 2.833 2.800 2.878 . 0 0 "[ . 1 . 2]" 1
301 1 29 LEU HA 1 75 ASN HD21 3.033 . 4.183 3.244 1.986 3.424 . 0 0 "[ . 1 . 2]" 1
302 1 23 ASN HA 1 24 SER HA 3.156 . 4.401 4.307 4.291 4.324 . 0 0 "[ . 1 . 2]" 1
303 1 23 ASN HA 1 23 ASN HB2 2.241 . 2.869 2.573 2.547 2.612 . 0 0 "[ . 1 . 2]" 1
304 1 23 ASN HA 1 23 ASN HD22 2.462 . 3.220 2.947 2.808 3.022 . 0 0 "[ . 1 . 2]" 1
305 1 42 VAL MG1 1 42 VAL MG2 1.607 . 1.930 2.027 2.015 2.040 0.110 17 0 "[ . 1 . 2]" 1
306 1 38 VAL MG1 1 42 VAL MG2 2.074 . 2.612 2.633 2.563 2.721 0.109 10 0 "[ . 1 . 2]" 1
307 1 38 VAL HA 1 42 VAL MG2 2.211 . 2.822 2.193 1.999 2.461 . 0 0 "[ . 1 . 2]" 1
308 1 42 VAL HB 1 42 VAL MG2 2.007 . 2.510 2.106 2.100 2.113 . 0 0 "[ . 1 . 2]" 1
309 1 21 ALA MB 1 42 VAL MG2 2.540 . 3.346 3.365 3.229 3.451 0.105 3 0 "[ . 1 . 2]" 1
310 1 21 ALA H 1 42 VAL MG2 3.268 . 4.603 4.668 4.635 4.698 0.095 11 0 "[ . 1 . 2]" 1
311 1 39 GLY H 1 42 VAL MG2 2.113 . 2.671 1.676 1.586 1.731 . 0 0 "[ . 1 . 2]" 1
312 1 40 ALA H 1 42 VAL MG2 3.343 . 4.740 3.846 3.008 4.168 . 0 0 "[ . 1 . 2]" 1
313 1 42 VAL H 1 42 VAL MG2 2.136 . 2.706 2.174 1.951 2.423 . 0 0 "[ . 1 . 2]" 1
314 1 42 VAL MG2 1 80 GLN HE21 3.278 . 4.621 3.587 2.927 4.097 . 0 0 "[ . 1 . 2]" 1
315 1 72 VAL H 1 72 VAL HB 2.791 . 3.765 3.749 2.818 3.911 0.146 20 0 "[ . 1 . 2]" 1
316 1 64 ALA HA 1 64 ALA MB 2.095 . 2.644 2.123 2.117 2.127 . 0 0 "[ . 1 . 2]" 1
317 1 21 ALA MB 1 38 VAL MG1 1.805 . 2.212 1.912 1.853 1.966 . 0 0 "[ . 1 . 2]" 1
318 1 63 ASN QB 1 64 ALA MB 2.701 . 3.613 3.602 3.507 3.735 0.122 12 0 "[ . 1 . 2]" 1
319 1 21 ALA MB 1 42 VAL HB 2.208 . 2.817 2.331 2.191 2.498 . 0 0 "[ . 1 . 2]" 1
320 1 64 ALA MB 1 65 ASN H 1.918 . 2.378 1.760 1.682 1.806 . 0 0 "[ . 1 . 2]" 1
321 1 64 ALA H 1 64 ALA MB 2.340 . 3.025 2.473 2.306 2.681 . 0 0 "[ . 1 . 2]" 1
322 1 64 ALA MB 1 65 ASN HD22 2.776 . 3.739 2.460 2.353 2.624 . 0 0 "[ . 1 . 2]" 1
323 1 21 ALA H 1 21 ALA MB 2.035 . 2.553 2.224 2.215 2.230 . 0 0 "[ . 1 . 2]" 1
324 1 63 ASN HD22 1 64 ALA MB 2.527 . 3.325 2.805 2.201 3.813 0.488 2 0 "[ . 1 . 2]" 1
325 1 64 ALA MB 1 65 ASN HA 3.429 . 4.899 4.051 4.005 4.106 . 0 0 "[ . 1 . 2]" 1
326 1 49 ASN HB2 1 50 PRO HD3 2.486 . 3.259 2.962 2.785 3.168 . 0 0 "[ . 1 . 2]" 1
327 1 50 PRO HD3 1 50 PRO HG2 2.194 . 2.795 2.687 2.657 2.896 0.101 1 0 "[ . 1 . 2]" 1
328 1 17 THR HB 1 46 ILE HB 2.044 . 2.566 1.778 1.745 1.827 . 0 0 "[ . 1 . 2]" 1
329 1 17 THR HB 1 46 ILE HG13 2.746 . 3.689 3.792 3.767 3.831 0.142 8 0 "[ . 1 . 2]" 1
330 1 17 THR HB 1 19 THR MG 2.805 . 3.788 3.341 3.194 3.558 . 0 0 "[ . 1 . 2]" 1
331 1 17 THR HB 1 46 ILE MG 2.576 . 3.406 2.484 2.395 2.614 . 0 0 "[ . 1 . 2]" 1
332 1 17 THR HB 1 46 ILE MD 2.683 . 3.583 3.330 3.060 3.481 . 0 0 "[ . 1 . 2]" 1
333 1 17 THR HB 1 46 ILE H 2.764 . 3.719 3.708 3.611 3.770 0.051 1 0 "[ . 1 . 2]" 1
334 1 17 THR H 1 17 THR HB 2.416 . 3.146 2.802 2.695 2.868 . 0 0 "[ . 1 . 2]" 1
335 1 38 VAL MG1 1 42 VAL MG1 1.645 . 1.983 1.858 1.802 1.916 . 0 0 "[ . 1 . 2]" 1
336 1 42 VAL MG1 1 43 PRO HA 3.313 . 4.685 4.213 4.164 4.250 . 0 0 "[ . 1 . 2]" 1
337 1 42 VAL MG1 1 79 VAL HA 3.071 . 4.250 3.646 3.470 3.913 . 0 0 "[ . 1 . 2]" 1
338 1 38 VAL HA 1 42 VAL MG1 2.090 . 2.636 2.809 2.752 2.864 0.228 16 0 "[ . 1 . 2]" 1
339 1 42 VAL MG1 1 80 GLN QB 3.174 . 4.433 4.069 3.988 4.108 . 0 0 "[ . 1 . 2]" 1
340 1 42 VAL MG1 1 80 GLN HG3 2.812 . 3.800 3.830 3.749 3.875 0.075 19 0 "[ . 1 . 2]" 1
341 1 42 VAL MG1 1 80 GLN HG2 2.994 . 4.114 2.540 2.483 2.639 . 0 0 "[ . 1 . 2]" 1
342 1 42 VAL HB 1 42 VAL MG1 1.984 . 2.476 2.129 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
343 1 21 ALA MB 1 42 VAL MG1 2.683 . 3.582 3.160 2.938 3.365 . 0 0 "[ . 1 . 2]" 1
344 1 42 VAL MG1 1 80 GLN H 2.416 . 3.146 2.664 2.503 2.867 . 0 0 "[ . 1 . 2]" 1
345 1 42 VAL MG1 1 80 GLN HE22 3.392 . 4.830 1.950 1.917 2.043 0.037 1 0 "[ . 1 . 2]" 1
346 1 42 VAL MG1 1 80 GLN HE21 3.326 . 4.709 2.903 2.602 3.285 . 0 0 "[ . 1 . 2]" 1
347 1 42 VAL MG1 1 81 CYS H 3.318 . 4.694 4.502 4.402 4.643 . 0 0 "[ . 1 . 2]" 1
348 1 25 GLN QB 1 26 ALA MB 2.927 . 3.998 3.552 3.398 3.621 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLN QB 1 46 ILE HG13 3.162 . 4.412 2.638 1.890 2.825 0.022 20 0 "[ . 1 . 2]" 1
350 1 25 GLN QB 1 46 ILE HG12 2.842 . 3.851 2.687 2.173 2.878 . 0 0 "[ . 1 . 2]" 1
351 1 25 GLN QB 1 25 GLN HG3 2.183 . 2.779 2.336 2.136 2.384 . 0 0 "[ . 1 . 2]" 1
352 1 25 GLN QB 1 26 ALA H 2.435 . 3.176 2.333 2.185 2.518 . 0 0 "[ . 1 . 2]" 1
353 1 71 ASN QB 1 79 VAL H 3.286 . 4.636 3.710 3.389 3.903 . 0 0 "[ . 1 . 2]" 1
354 1 71 ASN QB 1 72 VAL H 3.168 . 3.641 3.020 2.613 3.211 . 0 0 "[ . 1 . 2]" 1
355 1 82 ASN H 1 82 ASN HB2 2.782 . 3.749 3.663 2.725 3.770 0.021 14 0 "[ . 1 . 2]" 1
356 1 82 ASN HB2 1 82 ASN HD21 3.113 . 4.324 3.855 3.458 4.066 . 0 0 "[ . 1 . 2]" 1
357 1 82 ASN HB2 1 82 ASN HD22 2.686 . 3.588 3.055 2.199 3.505 . 0 0 "[ . 1 . 2]" 1
358 1 77 LEU HB3 1 77 LEU HG 2.565 . 3.387 2.564 2.549 2.582 . 0 0 "[ . 1 . 2]" 1
359 1 29 LEU MD1 1 77 LEU HB3 2.654 . 3.534 3.599 3.586 3.617 0.083 9 0 "[ . 1 . 2]" 1
360 1 33 LEU MD1 1 77 LEU HB3 2.816 . 3.807 1.803 1.764 1.821 0.061 17 0 "[ . 1 . 2]" 1
361 1 70 ASP HB2 1 80 GLN QB 2.470 . 3.232 2.168 2.032 2.270 . 0 0 "[ . 1 . 2]" 1
362 1 80 GLN QB 1 80 GLN HG3 2.271 . 2.745 2.150 2.130 2.158 . 0 0 "[ . 1 . 2]" 1
363 1 80 GLN H 1 80 GLN QB 3.099 . 4.299 3.269 3.223 3.351 . 0 0 "[ . 1 . 2]" 1
364 1 32 GLN HA 1 32 GLN HG2 2.569 . 3.394 2.894 2.788 3.025 . 0 0 "[ . 1 . 2]" 1
365 1 32 GLN HA 1 34 GLY H 2.969 . 4.071 4.121 4.089 4.153 0.082 1 0 "[ . 1 . 2]" 1
366 1 32 GLN H 1 32 GLN HA 2.244 . 2.874 2.878 2.858 2.895 0.021 14 0 "[ . 1 . 2]" 1
367 1 32 GLN HA 1 33 LEU H 2.780 . 3.746 3.495 3.461 3.520 . 0 0 "[ . 1 . 2]" 1
368 1 52 THR HA 1 52 THR HB 2.184 . 2.780 2.509 2.481 2.550 . 0 0 "[ . 1 . 2]" 1
369 1 3 GLY QA 1 52 THR HA 2.994 . 4.115 2.975 1.951 4.104 . 0 0 "[ . 1 . 2]" 1
370 1 51 ILE HB 1 52 THR HA 3.165 . 4.417 4.465 4.439 4.505 0.088 9 0 "[ . 1 . 2]" 1
371 1 52 THR HA 1 52 THR MG 2.167 . 2.754 2.295 2.262 2.325 . 0 0 "[ . 1 . 2]" 1
372 1 68 CYS HB2 1 84 ILE MD 2.891 . 3.935 2.444 1.926 3.857 . 0 0 "[ . 1 . 2]" 1
373 1 7 CYS QB 1 68 CYS HB2 2.796 . 3.773 2.561 2.004 3.877 0.104 3 0 "[ . 1 . 2]" 1
374 1 68 CYS HB2 1 69 CYS H 3.222 . 4.520 4.157 2.944 4.348 . 0 0 "[ . 1 . 2]" 1
375 1 68 CYS H 1 68 CYS HB2 2.621 . 3.480 2.996 2.611 3.806 0.326 7 0 "[ . 1 . 2]" 1
376 1 71 ASN H 1 79 VAL QG 3.432 . 4.874 2.355 1.952 3.671 0.007 15 0 "[ . 1 . 2]" 1
377 1 71 ASN HD22 1 79 VAL QG 2.649 . 3.526 2.631 2.319 3.419 . 0 0 "[ . 1 . 2]" 1
378 1 30 ILE MD 1 44 VAL MG2 2.726 . 3.655 3.197 3.046 3.347 . 0 0 "[ . 1 . 2]" 1
379 1 30 ILE HA 1 30 ILE MD 2.863 . 3.888 3.784 3.770 3.804 . 0 0 "[ . 1 . 2]" 1
380 1 26 ALA MB 1 30 ILE MD 2.080 . 2.621 2.393 2.283 2.491 . 0 0 "[ . 1 . 2]" 1
381 1 30 ILE MD 1 31 GLN H 3.316 . 4.691 4.453 4.420 4.494 . 0 0 "[ . 1 . 2]" 1
382 1 13 GLN HG3 1 69 CYS QB 3.119 . 4.335 2.732 2.171 3.017 . 0 0 "[ . 1 . 2]" 1
383 1 69 CYS QB 1 79 VAL H 3.155 . 4.148 3.028 2.700 3.277 . 0 0 "[ . 1 . 2]" 1
384 1 29 LEU HB2 1 30 ILE HA 3.177 . 4.439 4.147 4.099 4.184 . 0 0 "[ . 1 . 2]" 1
385 1 30 ILE HA 1 30 ILE QG 2.351 . 3.042 2.324 2.302 2.351 . 0 0 "[ . 1 . 2]" 1
386 1 30 ILE HA 1 33 LEU HG 2.729 . 3.660 3.120 3.005 3.505 . 0 0 "[ . 1 . 2]" 1
387 1 30 ILE HA 1 35 LEU HB3 3.120 . 4.337 4.443 4.414 4.484 0.147 7 0 "[ . 1 . 2]" 1
388 1 30 ILE HA 1 35 LEU HB2 2.847 . 3.860 2.944 2.853 3.020 . 0 0 "[ . 1 . 2]" 1
389 1 30 ILE HA 1 77 LEU MD2 3.014 . 4.150 4.245 4.210 4.279 0.129 14 0 "[ . 1 . 2]" 1
390 1 30 ILE HA 1 30 ILE MG 2.265 . 2.906 2.517 2.483 2.543 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE HA 1 77 LEU MD1 2.432 . 3.172 3.169 3.091 3.228 0.056 20 0 "[ . 1 . 2]" 1
392 1 30 ILE HA 1 35 LEU QD 2.390 . 3.104 2.473 2.102 2.694 . 0 0 "[ . 1 . 2]" 1
393 1 30 ILE H 1 30 ILE HA 2.601 . 3.446 2.753 2.746 2.760 . 0 0 "[ . 1 . 2]" 1
394 1 30 ILE HA 1 31 GLN H 2.976 . 4.083 3.528 3.518 3.542 . 0 0 "[ . 1 . 2]" 1
395 1 30 ILE HA 1 35 LEU H 3.294 . 4.650 3.654 3.480 3.748 . 0 0 "[ . 1 . 2]" 1
396 1 35 LEU HB2 1 38 VAL MG2 2.724 . 3.652 3.182 3.012 3.431 . 0 0 "[ . 1 . 2]" 1
397 1 35 LEU HB2 1 35 LEU QD 2.389 . 3.102 2.292 2.265 2.336 . 0 0 "[ . 1 . 2]" 1
398 1 80 GLN QB 1 80 GLN HG2 2.274 . 2.920 2.400 2.382 2.469 . 0 0 "[ . 1 . 2]" 1
399 1 79 VAL QG 1 80 GLN QB 2.898 . 3.948 2.753 2.599 3.027 . 0 0 "[ . 1 . 2]" 1
400 1 70 ASP HA 1 80 GLN QB 3.440 . 4.920 4.060 3.962 4.141 . 0 0 "[ . 1 . 2]" 1
401 1 70 ASP H 1 80 GLN QB 2.705 . 3.620 2.386 2.237 2.496 . 0 0 "[ . 1 . 2]" 1
402 1 54 ILE HB 1 54 ILE HG13 2.672 . 3.564 2.493 2.431 3.022 . 0 0 "[ . 1 . 2]" 1
403 1 14 CYS HA 1 14 CYS HB3 2.627 . 3.489 3.032 3.027 3.036 . 0 0 "[ . 1 . 2]" 1
404 1 14 CYS HA 1 14 CYS HB2 2.376 . 3.082 2.440 2.398 2.475 . 0 0 "[ . 1 . 2]" 1
405 1 14 CYS HA 1 15 CYS H 2.134 . 2.703 2.119 2.092 2.148 . 0 0 "[ . 1 . 2]" 1
406 1 5 SER QB 1 6 GLN HA 3.269 . 4.605 4.111 3.913 4.436 . 0 0 "[ . 1 . 2]" 1
407 1 6 GLN HA 1 7 CYS QB 3.379 . 4.806 4.403 4.196 4.656 . 0 0 "[ . 1 . 2]" 1
408 1 6 GLN HA 1 6 GLN HB2 2.227 . 2.847 3.012 2.969 3.021 0.174 10 0 "[ . 1 . 2]" 1
409 1 6 GLN HA 1 6 GLN HB3 2.313 . 2.982 2.480 2.402 2.602 . 0 0 "[ . 1 . 2]" 1
410 1 6 GLN HA 1 12 VAL QG 2.961 . 4.057 3.984 3.794 4.081 0.024 6 0 "[ . 1 . 2]" 1
411 1 70 ASP HB2 1 80 GLN HG3 2.738 . 3.675 3.235 3.033 3.353 . 0 0 "[ . 1 . 2]" 1
412 1 70 ASP HB2 1 80 GLN HG2 3.106 . 4.312 4.340 4.211 4.393 0.081 19 0 "[ . 1 . 2]" 1
413 1 21 ALA MB 1 39 GLY HA2 3.074 . 4.255 4.209 3.955 4.459 0.204 10 0 "[ . 1 . 2]" 1
414 1 14 CYS HB2 1 51 ILE HG13 2.796 . 3.773 3.214 3.005 3.354 . 0 0 "[ . 1 . 2]" 1
415 1 14 CYS HB2 1 51 ILE HG12 2.626 . 3.488 1.868 1.795 1.990 . 0 0 "[ . 1 . 2]" 1
416 1 14 CYS HB2 1 51 ILE MG 2.768 . 3.726 3.283 3.076 3.397 . 0 0 "[ . 1 . 2]" 1
417 1 14 CYS HB2 1 15 CYS H 3.391 . 4.828 4.366 4.202 4.445 . 0 0 "[ . 1 . 2]" 1
418 1 27 ALA MB 1 30 ILE MD 2.741 . 3.680 3.141 3.086 3.208 . 0 0 "[ . 1 . 2]" 1
419 1 27 ALA HA 1 27 ALA MB 1.920 . 2.381 2.130 2.128 2.134 . 0 0 "[ . 1 . 2]" 1
420 1 27 ALA MB 1 30 ILE HB 2.972 . 4.076 3.481 3.455 3.521 . 0 0 "[ . 1 . 2]" 1
421 1 27 ALA H 1 27 ALA MB 1.892 . 2.340 2.245 2.237 2.251 . 0 0 "[ . 1 . 2]" 1
422 1 27 ALA MB 1 31 GLN H 3.455 . 4.947 4.083 4.048 4.115 . 0 0 "[ . 1 . 2]" 1
423 1 27 ALA MB 1 28 GLY H 2.429 . 3.166 2.709 2.629 2.788 . 0 0 "[ . 1 . 2]" 1
424 1 27 ALA MB 1 31 GLN HE21 3.318 . 4.695 3.804 3.144 4.713 0.018 8 0 "[ . 1 . 2]" 1
425 1 27 ALA MB 1 30 ILE H 3.399 . 4.844 4.504 4.471 4.542 . 0 0 "[ . 1 . 2]" 1
426 1 40 ALA MB 1 41 ASN HB2 3.318 . 4.694 4.587 3.842 5.435 0.741 12 6 "[ * . * 1 + .* -*]" 1
427 1 41 ASN HA 1 41 ASN HB2 2.805 . 3.788 2.689 2.418 3.023 . 0 0 "[ . 1 . 2]" 1
428 1 33 LEU HB3 1 33 LEU MD2 2.608 . 3.458 2.278 2.240 2.300 . 0 0 "[ . 1 . 2]" 1
429 1 33 LEU HB3 1 33 LEU MD1 2.425 . 3.160 2.459 2.366 2.486 . 0 0 "[ . 1 . 2]" 1
430 1 33 LEU HB3 1 35 LEU H 3.288 . 4.639 4.562 4.340 4.660 0.021 13 0 "[ . 1 . 2]" 1
431 1 85 ASN HA 1 86 VAL MG2 3.122 . 4.340 3.694 3.553 4.101 . 0 0 "[ . 1 . 2]" 1
432 1 86 VAL HA 1 86 VAL MG2 2.765 . 3.721 3.198 3.158 3.212 . 0 0 "[ . 1 . 2]" 1
433 1 66 PRO HG3 1 86 VAL MG2 3.120 . 4.337 1.926 1.826 2.195 0.077 13 0 "[ . 1 . 2]" 1
434 1 27 ALA HA 1 30 ILE MG 2.777 . 3.741 3.321 3.227 3.398 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE MG 1 34 GLY HA2 3.157 . 4.403 4.479 4.448 4.511 0.108 2 0 "[ . 1 . 2]" 1
436 1 30 ILE MG 1 31 GLN HA 2.447 . 3.195 3.197 3.127 3.241 0.046 7 0 "[ . 1 . 2]" 1
437 1 30 ILE HB 1 30 ILE MG 1.992 . 2.488 2.123 2.120 2.127 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE MG 1 35 LEU HB3 2.167 . 2.754 2.693 2.571 2.788 0.034 13 0 "[ . 1 . 2]" 1
439 1 30 ILE MG 1 35 LEU HB2 2.299 . 2.960 1.780 1.736 1.809 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE H 1 30 ILE MG 2.867 . 3.894 3.742 3.734 3.751 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE MG 1 35 LEU H 2.757 . 3.707 2.815 2.721 3.028 . 0 0 "[ . 1 . 2]" 1
442 1 46 ILE HA 1 46 ILE MG 2.268 . 2.911 2.552 2.513 2.597 . 0 0 "[ . 1 . 2]" 1
443 1 46 ILE MG 1 47 ASN HB3 2.486 . 3.259 2.914 2.657 3.188 . 0 0 "[ . 1 . 2]" 1
444 1 25 GLN HG3 1 46 ILE MG 3.419 . 4.880 2.571 2.439 2.987 . 0 0 "[ . 1 . 2]" 1
445 1 25 GLN QB 1 46 ILE MG 2.769 . 3.727 3.393 2.463 3.529 . 0 0 "[ . 1 . 2]" 1
446 1 46 ILE HB 1 46 ILE MG 2.080 . 2.621 2.122 2.119 2.125 . 0 0 "[ . 1 . 2]" 1
447 1 46 ILE MG 1 47 ASN H 2.328 . 3.005 2.926 2.810 3.015 0.010 6 0 "[ . 1 . 2]" 1
448 1 25 GLN HE22 1 46 ILE MG 3.164 . 4.415 3.226 2.078 4.434 0.019 2 0 "[ . 1 . 2]" 1
449 1 25 GLN HE21 1 46 ILE MG 3.368 . 4.786 4.101 3.478 4.747 . 0 0 "[ . 1 . 2]" 1
450 1 19 THR MG 1 25 GLN QB 2.605 . 3.453 3.185 3.063 3.309 . 0 0 "[ . 1 . 2]" 1
451 1 43 PRO HG2 1 80 GLN HE22 3.404 . 4.852 4.310 3.134 4.813 . 0 0 "[ . 1 . 2]" 1
452 1 43 PRO HG2 1 81 CYS H 2.572 . 3.399 3.492 3.463 3.516 0.117 7 0 "[ . 1 . 2]" 1
453 1 43 PRO HG2 1 80 GLN HE21 3.074 . 4.255 3.797 3.586 4.272 0.017 12 0 "[ . 1 . 2]" 1
454 1 43 PRO HA 1 43 PRO HG2 3.301 . 4.663 4.057 4.046 4.066 . 0 0 "[ . 1 . 2]" 1
455 1 54 ILE MG 1 55 GLY HA2 2.730 . 3.662 3.368 2.935 3.739 0.077 17 0 "[ . 1 . 2]" 1
456 1 29 LEU MD2 1 75 ASN HB2 2.907 . 3.963 2.773 2.619 4.171 0.208 6 0 "[ . 1 . 2]" 1
457 1 75 ASN HA 1 75 ASN HB2 2.950 . 4.038 2.434 2.417 2.497 . 0 0 "[ . 1 . 2]" 1
458 1 75 ASN HB2 1 75 ASN HD21 2.925 . 3.995 3.482 3.467 3.621 . 0 0 "[ . 1 . 2]" 1
459 1 26 ALA MB 1 44 VAL MG1 2.122 . 2.685 2.670 2.573 2.718 0.033 10 0 "[ . 1 . 2]" 1
460 1 43 PRO HB2 1 44 VAL MG1 3.212 . 4.502 4.592 4.576 4.606 0.104 12 0 "[ . 1 . 2]" 1
461 1 44 VAL MG1 1 80 GLN H 2.527 . 3.325 3.038 2.939 3.263 . 0 0 "[ . 1 . 2]" 1
462 1 44 VAL MG1 1 45 GLY H 2.784 . 3.753 3.678 3.612 3.726 . 0 0 "[ . 1 . 2]" 1
463 1 21 ALA H 1 44 VAL MG1 2.719 . 3.643 3.087 2.959 3.193 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU MD1 1 77 LEU HB2 2.553 . 3.368 2.042 2.019 2.084 . 0 0 "[ . 1 . 2]" 1
465 1 15 CYS HB3 1 45 GLY HA2 2.946 . 4.031 3.248 3.054 3.419 . 0 0 "[ . 1 . 2]" 1
466 1 18 LEU HB3 1 45 GLY HA2 3.374 . 4.797 4.644 4.552 4.727 . 0 0 "[ . 1 . 2]" 1
467 1 18 LEU MD2 1 45 GLY HA2 2.418 . 3.149 2.075 1.979 2.185 . 0 0 "[ . 1 . 2]" 1
468 1 45 GLY H 1 45 GLY HA2 2.694 . 3.601 2.946 2.943 2.948 . 0 0 "[ . 1 . 2]" 1
469 1 19 THR H 1 45 GLY HA2 3.266 . 4.599 3.483 3.400 3.560 . 0 0 "[ . 1 . 2]" 1
470 1 45 GLY HA2 1 46 ILE H 2.296 . 2.955 2.079 2.047 2.106 . 0 0 "[ . 1 . 2]" 1
471 1 18 LEU HB2 1 65 ASN QB 3.348 . 4.749 3.309 3.007 3.526 . 0 0 "[ . 1 . 2]" 1
472 1 18 LEU HG 1 65 ASN QB 2.586 . 3.422 2.092 1.951 2.163 . 0 0 "[ . 1 . 2]" 1
473 1 18 LEU MD2 1 65 ASN QB 2.857 . 3.877 3.352 3.203 3.417 . 0 0 "[ . 1 . 2]" 1
474 1 65 ASN QB 1 66 PRO HD2 3.156 . 4.346 3.184 3.069 3.343 . 0 0 "[ . 1 . 2]" 1
475 1 65 ASN QB 1 66 PRO HD3 3.260 . 4.589 3.973 3.869 4.058 . 0 0 "[ . 1 . 2]" 1
476 1 15 CYS HB2 1 65 ASN QB 2.951 . 4.039 2.786 2.382 2.999 . 0 0 "[ . 1 . 2]" 1
477 1 65 ASN QB 1 65 ASN HD22 2.756 . 3.236 2.213 2.194 2.237 . 0 0 "[ . 1 . 2]" 1
478 1 46 ILE HA 1 46 ILE HG12 2.986 . 4.100 3.748 3.709 3.781 . 0 0 "[ . 1 . 2]" 1
479 1 17 THR HB 1 46 ILE HG12 3.137 . 4.367 2.420 2.338 2.502 . 0 0 "[ . 1 . 2]" 1
480 1 46 ILE HB 1 46 ILE HG12 2.727 . 3.657 2.369 2.343 2.388 . 0 0 "[ . 1 . 2]" 1
481 1 46 ILE H 1 46 ILE HG12 3.017 . 4.155 3.812 3.693 3.900 . 0 0 "[ . 1 . 2]" 1
482 1 73 TYR HB3 1 77 LEU HB3 3.206 . 4.491 4.473 4.297 4.574 0.083 16 0 "[ . 1 . 2]" 1
483 1 73 TYR HB3 1 75 ASN H 3.237 . 4.547 3.129 3.016 3.222 . 0 0 "[ . 1 . 2]" 1
484 1 66 PRO HA 1 84 ILE HB 3.208 . 4.494 4.450 4.305 4.547 0.053 5 0 "[ . 1 . 2]" 1
485 1 66 PRO HA 1 66 PRO HD2 3.138 . 4.369 4.058 4.042 4.069 . 0 0 "[ . 1 . 2]" 1
486 1 66 PRO HA 1 66 PRO HG2 2.967 . 4.068 3.886 3.856 3.959 . 0 0 "[ . 1 . 2]" 1
487 1 66 PRO HA 1 84 ILE HG13 3.440 . 4.920 4.603 3.844 4.978 0.058 3 0 "[ . 1 . 2]" 1
488 1 51 ILE MD 1 66 PRO HA 2.738 . 3.675 2.797 2.506 3.061 . 0 0 "[ . 1 . 2]" 1
489 1 66 PRO HA 1 67 ALA H 2.007 . 2.511 2.192 2.155 2.225 . 0 0 "[ . 1 . 2]" 1
490 1 15 CYS H 1 66 PRO HA 2.928 . 4.000 3.280 3.067 3.485 . 0 0 "[ . 1 . 2]" 1
491 1 8 ASN HA 1 8 ASN HB2 2.342 . 3.027 2.853 2.419 3.028 0.001 15 0 "[ . 1 . 2]" 1
492 1 48 CYS HB3 1 72 VAL QG 2.894 . 3.687 2.876 2.225 3.406 . 0 0 "[ . 1 . 2]" 1
493 1 69 CYS QB 1 72 VAL QG 2.497 . 2.871 1.983 1.791 2.396 . 0 0 "[ . 1 . 2]" 1
494 1 72 VAL H 1 72 VAL QG 2.784 . 3.753 2.242 2.067 2.754 . 0 0 "[ . 1 . 2]" 1
495 1 13 GLN HE22 1 72 VAL QG 2.928 . 3.999 3.118 2.545 3.818 . 0 0 "[ . 1 . 2]" 1
496 1 13 GLN HE21 1 72 VAL QG 2.887 . 3.929 3.061 2.692 3.586 . 0 0 "[ . 1 . 2]" 1
497 1 69 CYS H 1 72 VAL QG 3.466 . 4.967 3.796 3.523 4.103 . 0 0 "[ . 1 . 2]" 1
498 1 72 VAL QG 1 79 VAL H 3.038 . 4.192 3.583 3.093 3.849 . 0 0 "[ . 1 . 2]" 1
499 1 74 THR HB 1 74 THR MG 2.215 . 2.828 2.136 2.133 2.139 . 0 0 "[ . 1 . 2]" 1
500 1 44 VAL MG2 1 46 ILE HG13 3.017 . 4.155 4.220 4.195 4.254 0.099 13 0 "[ . 1 . 2]" 1
501 1 46 ILE HB 1 46 ILE HG13 2.583 . 3.417 3.004 2.993 3.012 . 0 0 "[ . 1 . 2]" 1
502 1 46 ILE H 1 46 ILE HG13 2.919 . 3.984 4.073 4.003 4.118 0.134 4 0 "[ . 1 . 2]" 1
503 1 38 VAL HA 1 38 VAL HB 2.507 . 3.292 3.025 3.013 3.029 . 0 0 "[ . 1 . 2]" 1
504 1 38 VAL HA 1 39 GLY H 1.978 . 2.467 2.165 2.131 2.176 . 0 0 "[ . 1 . 2]" 1
505 1 15 CYS HB3 1 46 ILE HB 3.145 . 4.381 4.023 3.715 4.259 . 0 0 "[ . 1 . 2]" 1
506 1 15 CYS HB2 1 18 LEU HG 2.929 . 4.002 2.670 2.477 2.848 . 0 0 "[ . 1 . 2]" 1
507 1 15 CYS HB2 1 18 LEU MD1 2.978 . 4.087 3.669 3.500 3.872 . 0 0 "[ . 1 . 2]" 1
508 1 15 CYS HB2 1 18 LEU MD2 2.369 . 3.070 2.429 2.248 2.623 . 0 0 "[ . 1 . 2]" 1
509 1 15 CYS HB3 1 46 ILE H 2.700 . 3.611 2.732 2.634 2.824 . 0 0 "[ . 1 . 2]" 1
510 1 15 CYS HB3 1 16 ASN H 2.676 . 3.571 2.952 2.784 3.072 . 0 0 "[ . 1 . 2]" 1
511 1 15 CYS HB2 1 65 ASN H 3.249 . 4.568 4.143 3.995 4.266 . 0 0 "[ . 1 . 2]" 1
512 1 15 CYS HB3 1 17 THR H 2.702 . 3.615 2.884 2.497 3.321 . 0 0 "[ . 1 . 2]" 1
513 1 15 CYS HB3 1 48 CYS HA 3.082 . 4.269 3.904 3.596 4.242 . 0 0 "[ . 1 . 2]" 1
514 1 70 ASP HA 1 70 ASP HB2 2.368 . 3.069 2.500 2.430 2.565 . 0 0 "[ . 1 . 2]" 1
515 1 9 ALA MB 1 70 ASP HA 2.320 . 2.993 2.476 2.076 2.985 . 0 0 "[ . 1 . 2]" 1
516 1 70 ASP HA 1 71 ASN H 2.996 . 4.118 3.528 3.490 3.555 . 0 0 "[ . 1 . 2]" 1
517 1 70 ASP H 1 70 ASP HA 2.479 . 3.247 2.848 2.816 2.881 . 0 0 "[ . 1 . 2]" 1
518 1 29 LEU HB2 1 77 LEU HB3 3.071 . 4.250 4.226 4.151 4.277 0.027 9 0 "[ . 1 . 2]" 1
519 1 29 LEU HB2 1 29 LEU HG 2.624 . 3.485 2.459 2.444 2.484 . 0 0 "[ . 1 . 2]" 1
520 1 29 LEU HB2 1 33 LEU HG 3.374 . 4.797 4.760 4.700 4.819 0.022 7 0 "[ . 1 . 2]" 1
521 1 29 LEU HA 1 29 LEU HB2 2.727 . 3.657 2.992 2.991 2.995 . 0 0 "[ . 1 . 2]" 1
522 1 29 LEU HB2 1 32 GLN H 3.415 . 4.873 5.093 5.058 5.129 0.256 6 0 "[ . 1 . 2]" 1
523 1 69 CYS HA 1 69 CYS QB 2.357 . 3.051 2.404 2.251 2.531 . 0 0 "[ . 1 . 2]" 1
524 1 69 CYS HA 1 70 ASP HA 3.346 . 4.745 4.325 4.295 4.375 . 0 0 "[ . 1 . 2]" 1
525 1 69 CYS H 1 69 CYS HA 2.880 . 3.917 2.937 2.919 2.946 . 0 0 "[ . 1 . 2]" 1
526 1 69 CYS HA 1 70 ASP H 2.108 . 2.664 2.271 2.202 2.379 . 0 0 "[ . 1 . 2]" 1
527 1 16 ASN HB3 1 46 ILE HB 3.312 . 4.683 3.525 3.389 3.703 . 0 0 "[ . 1 . 2]" 1
528 1 16 ASN HB3 1 46 ILE MG 3.081 . 4.267 2.325 2.069 2.544 . 0 0 "[ . 1 . 2]" 1
529 1 16 ASN H 1 16 ASN HB3 2.417 . 3.147 2.670 2.560 2.741 . 0 0 "[ . 1 . 2]" 1
530 1 16 ASN HB3 1 17 THR H 2.682 . 3.581 2.541 2.225 2.757 . 0 0 "[ . 1 . 2]" 1
531 1 33 LEU HB3 1 33 LEU HG 2.749 . 3.694 3.016 3.010 3.019 . 0 0 "[ . 1 . 2]" 1
532 1 33 LEU HG 1 75 ASN HD21 2.795 . 3.771 3.074 2.901 3.865 0.094 6 0 "[ . 1 . 2]" 1
533 1 13 GLN HA 1 13 GLN HB3 2.474 . 3.239 2.384 2.287 2.433 . 0 0 "[ . 1 . 2]" 1
534 1 13 GLN HA 1 13 GLN HB2 2.621 . 3.479 3.010 2.961 3.023 . 0 0 "[ . 1 . 2]" 1
535 1 13 GLN HA 1 51 ILE HG13 2.967 . 4.067 2.948 2.704 3.180 . 0 0 "[ . 1 . 2]" 1
536 1 13 GLN HA 1 51 ILE H 2.686 . 3.588 2.931 2.725 3.129 . 0 0 "[ . 1 . 2]" 1
537 1 5 SER HA 1 5 SER QB 2.004 . 2.506 2.297 2.171 2.380 . 0 0 "[ . 1 . 2]" 1
538 1 4 SER HA 1 12 VAL QG 3.068 . 4.244 2.442 1.772 3.853 0.120 7 0 "[ . 1 . 2]" 1
539 1 18 LEU MD1 1 83 PRO HB2 2.854 . 3.872 3.865 3.647 3.945 0.073 17 0 "[ . 1 . 2]" 1
540 1 29 LEU MD2 1 29 LEU HG 2.038 . 2.557 2.130 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
541 1 22 SER HA 1 22 SER QB 2.183 . 2.779 2.373 2.177 2.461 . 0 0 "[ . 1 . 2]" 1
542 1 22 SER HA 1 40 ALA MB 2.561 . 3.381 3.236 2.685 3.434 0.053 1 0 "[ . 1 . 2]" 1
543 1 22 SER H 1 22 SER HA 2.440 . 3.184 2.881 2.829 2.909 . 0 0 "[ . 1 . 2]" 1
544 1 22 SER HA 1 23 ASN H 2.829 . 3.830 3.364 3.293 3.432 . 0 0 "[ . 1 . 2]" 1
545 1 18 LEU HB2 1 18 LEU HG 2.340 . 3.024 2.444 2.419 2.461 . 0 0 "[ . 1 . 2]" 1
546 1 18 LEU HB3 1 18 LEU HG 2.323 . 2.998 3.010 3.006 3.013 0.015 2 0 "[ . 1 . 2]" 1
547 1 36 SER HA 1 36 SER HB2 2.110 . 2.667 2.677 2.489 3.028 0.361 8 0 "[ . 1 . 2]" 1
548 1 36 SER HA 1 38 VAL H 2.932 . 4.006 3.462 3.185 3.767 . 0 0 "[ . 1 . 2]" 1
549 1 16 ASN HB2 1 47 ASN HB2 2.423 . 3.157 3.173 3.095 3.205 0.048 16 0 "[ . 1 . 2]" 1
550 1 16 ASN HB3 1 47 ASN HB2 2.475 . 3.241 3.233 3.039 3.280 0.039 13 0 "[ . 1 . 2]" 1
551 1 29 LEU MD1 1 47 ASN HB2 3.319 . 4.696 4.472 4.209 4.672 . 0 0 "[ . 1 . 2]" 1
552 1 46 ILE MG 1 47 ASN HB2 2.824 . 3.821 2.405 2.226 2.546 . 0 0 "[ . 1 . 2]" 1
553 1 47 ASN H 1 47 ASN HB2 3.011 . 4.144 3.101 3.033 3.146 . 0 0 "[ . 1 . 2]" 1
554 1 16 ASN H 1 47 ASN HB2 2.799 . 3.779 3.872 3.824 3.941 0.162 1 0 "[ . 1 . 2]" 1
555 1 17 THR H 1 47 ASN HB2 3.452 . 4.941 4.803 4.602 4.955 0.014 1 0 "[ . 1 . 2]" 1
556 1 29 LEU MD2 1 75 ASN HB3 2.773 . 3.734 3.981 3.493 4.034 0.300 14 0 "[ . 1 . 2]" 1
557 1 75 ASN HA 1 75 ASN HB3 2.994 . 4.115 2.523 2.489 3.029 . 0 0 "[ . 1 . 2]" 1
558 1 75 ASN HB3 1 75 ASN HD21 2.916 . 3.979 3.753 3.413 3.782 . 0 0 "[ . 1 . 2]" 1
559 1 13 GLN HB3 1 48 CYS HB3 2.810 . 3.797 2.304 1.841 2.790 . 0 0 "[ . 1 . 2]" 1
560 1 13 GLN HB2 1 48 CYS HB3 3.108 . 4.315 3.602 3.008 4.164 . 0 0 "[ . 1 . 2]" 1
561 1 48 CYS H 1 48 CYS HB3 2.630 . 3.495 3.426 3.073 3.635 0.140 11 0 "[ . 1 . 2]" 1
562 1 15 CYS HA 1 16 ASN HB2 3.093 . 4.289 4.363 4.311 4.435 0.146 15 0 "[ . 1 . 2]" 1
563 1 15 CYS HA 1 48 CYS HB3 2.976 . 4.083 4.111 3.932 4.223 0.140 16 0 "[ . 1 . 2]" 1
564 1 15 CYS HA 1 15 CYS HB3 2.287 . 2.941 2.442 2.399 2.512 . 0 0 "[ . 1 . 2]" 1
565 1 15 CYS HA 1 64 ALA MB 3.185 . 4.453 4.525 4.473 4.613 0.160 12 0 "[ . 1 . 2]" 1
566 1 14 CYS HA 1 15 CYS HA 3.117 . 4.332 4.385 4.356 4.414 0.082 15 0 "[ . 1 . 2]" 1
567 1 15 CYS HA 1 16 ASN H 2.132 . 2.700 2.198 2.155 2.262 . 0 0 "[ . 1 . 2]" 1
568 1 15 CYS HA 1 49 ASN H 2.754 . 3.702 3.719 3.566 3.790 0.088 17 0 "[ . 1 . 2]" 1
569 1 11 PRO HB2 1 50 PRO HB3 2.442 . 3.187 2.990 2.585 3.204 0.017 18 0 "[ . 1 . 2]" 1
570 1 50 PRO HB3 1 50 PRO HD2 2.942 . 4.024 3.869 3.852 3.941 . 0 0 "[ . 1 . 2]" 1
571 1 50 PRO HB3 1 50 PRO HD3 3.022 . 4.164 3.984 3.397 4.061 . 0 0 "[ . 1 . 2]" 1
572 1 13 GLN HE21 1 50 PRO HB3 3.202 . 4.484 2.720 1.978 3.092 . 0 0 "[ . 1 . 2]" 1
573 1 47 ASN HA 1 76 GLY HA2 3.079 . 4.264 3.670 3.339 4.138 . 0 0 "[ . 1 . 2]" 1
574 1 35 LEU HA 1 35 LEU HB3 2.602 . 3.448 2.586 2.539 2.619 . 0 0 "[ . 1 . 2]" 1
575 1 35 LEU HA 1 35 LEU HB2 2.250 . 2.883 2.974 2.961 2.985 0.102 18 0 "[ . 1 . 2]" 1
576 1 35 LEU H 1 35 LEU HA 2.615 . 3.470 2.853 2.742 2.884 . 0 0 "[ . 1 . 2]" 1
577 1 21 ALA MB 1 39 GLY H 2.986 . 4.101 4.109 3.890 4.189 0.088 13 0 "[ . 1 . 2]" 1
578 1 30 ILE QG 1 35 LEU HG 3.363 . 4.777 4.501 3.094 4.651 . 0 0 "[ . 1 . 2]" 1
579 1 30 ILE MG 1 35 LEU HG 3.145 . 4.382 3.653 2.827 3.819 . 0 0 "[ . 1 . 2]" 1
580 1 35 LEU HA 1 35 LEU HG 3.205 . 4.489 3.010 2.886 3.671 . 0 0 "[ . 1 . 2]" 1
581 1 35 LEU HB3 1 35 LEU HG 2.368 . 3.069 2.981 2.422 3.016 . 0 0 "[ . 1 . 2]" 1
582 1 35 LEU H 1 35 LEU HG 2.561 . 3.381 2.811 2.567 3.733 0.352 17 0 "[ . 1 . 2]" 1
583 1 29 LEU HB2 1 77 LEU MD1 2.959 . 4.054 4.006 3.950 4.056 0.002 9 0 "[ . 1 . 2]" 1
584 1 77 LEU HB3 1 77 LEU MD1 2.500 . 3.281 2.268 2.249 2.279 . 0 0 "[ . 1 . 2]" 1
585 1 30 ILE QG 1 77 LEU MD1 2.489 . 3.264 2.316 2.269 2.357 . 0 0 "[ . 1 . 2]" 1
586 1 77 LEU HB2 1 77 LEU MD1 2.480 . 3.249 3.174 3.160 3.180 . 0 0 "[ . 1 . 2]" 1
587 1 30 ILE MD 1 77 LEU MD1 2.474 . 3.239 3.367 3.312 3.412 0.173 16 0 "[ . 1 . 2]" 1
588 1 30 ILE H 1 77 LEU MD1 3.166 . 4.419 4.144 4.082 4.190 . 0 0 "[ . 1 . 2]" 1
589 1 77 LEU H 1 77 LEU MD1 2.894 . 3.941 4.067 4.046 4.087 0.146 16 0 "[ . 1 . 2]" 1
590 1 16 ASN HB2 1 46 ILE HB 3.457 . 4.951 5.019 4.955 5.066 0.115 10 0 "[ . 1 . 2]" 1
591 1 16 ASN HB2 1 64 ALA MB 3.181 . 4.446 4.153 3.953 4.442 . 0 0 "[ . 1 . 2]" 1
592 1 16 ASN HB2 1 46 ILE MG 3.228 . 4.531 3.480 3.298 3.625 . 0 0 "[ . 1 . 2]" 1
593 1 16 ASN HB2 1 17 THR H 2.726 . 3.655 3.673 3.541 3.744 0.089 1 0 "[ . 1 . 2]" 1
594 1 79 VAL HA 1 80 GLN QB 3.331 . 4.718 4.425 4.328 4.500 . 0 0 "[ . 1 . 2]" 1
595 1 44 VAL HB 1 79 VAL HA 3.000 . 4.125 3.838 3.718 3.941 . 0 0 "[ . 1 . 2]" 1
596 1 79 VAL HA 1 79 VAL HB 2.598 . 3.442 2.647 2.527 3.035 . 0 0 "[ . 1 . 2]" 1
597 1 79 VAL HA 1 79 VAL QG 2.272 . 2.918 2.215 2.138 2.251 . 0 0 "[ . 1 . 2]" 1
598 1 44 VAL MG1 1 79 VAL HA 2.022 . 2.533 2.366 2.267 2.466 . 0 0 "[ . 1 . 2]" 1
599 1 44 VAL HA 1 79 VAL HA 2.953 . 4.043 2.847 2.665 3.006 . 0 0 "[ . 1 . 2]" 1
600 1 79 VAL H 1 79 VAL HA 2.766 . 3.722 2.946 2.935 2.955 . 0 0 "[ . 1 . 2]" 1
601 1 79 VAL HA 1 80 GLN H 2.078 . 2.618 2.155 2.123 2.196 . 0 0 "[ . 1 . 2]" 1
602 1 24 SER HA 1 27 ALA MB 2.313 . 2.982 2.763 2.435 3.021 0.039 15 0 "[ . 1 . 2]" 1
603 1 24 SER HA 1 28 GLY H 3.272 . 4.610 3.637 3.315 3.898 . 0 0 "[ . 1 . 2]" 1
604 1 24 SER HA 1 27 ALA H 2.884 . 3.924 3.539 3.244 3.707 . 0 0 "[ . 1 . 2]" 1
605 1 72 VAL QG 1 76 GLY HA2 2.921 . 3.987 3.520 2.950 3.964 . 0 0 "[ . 1 . 2]" 1
606 1 17 THR MG 1 19 THR MG 1.570 . 1.878 1.986 1.966 2.017 0.139 16 0 "[ . 1 . 2]" 1
607 1 17 THR MG 1 46 ILE MD 2.379 . 3.086 3.085 2.805 3.144 0.058 19 0 "[ . 1 . 2]" 1
608 1 17 THR MG 1 46 ILE HG12 2.334 . 3.015 2.890 2.790 3.018 0.003 16 0 "[ . 1 . 2]" 1
609 1 17 THR HB 1 17 THR MG 2.257 . 2.894 2.128 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
610 1 16 ASN HB3 1 17 THR MG 3.453 . 4.943 4.988 4.957 5.014 0.071 14 0 "[ . 1 . 2]" 1
611 1 17 THR MG 1 46 ILE HB 2.583 . 3.417 3.258 3.177 3.376 . 0 0 "[ . 1 . 2]" 1
612 1 17 THR MG 1 19 THR H 3.183 . 4.450 3.523 3.119 3.907 . 0 0 "[ . 1 . 2]" 1
613 1 17 THR MG 1 18 LEU H 2.287 . 2.941 2.864 2.715 2.954 0.013 10 0 "[ . 1 . 2]" 1
614 1 17 THR H 1 17 THR MG 3.069 . 4.246 3.903 3.873 3.926 . 0 0 "[ . 1 . 2]" 1
615 1 17 THR MG 1 18 LEU HA 3.301 . 4.663 3.723 3.590 3.825 . 0 0 "[ . 1 . 2]" 1
616 1 62 CYS HB3 1 66 PRO HG2 3.231 . 4.536 4.494 4.275 4.725 0.189 16 0 "[ . 1 . 2]" 1
617 1 62 CYS HB3 1 66 PRO HG3 2.788 . 3.760 3.197 2.997 3.556 . 0 0 "[ . 1 . 2]" 1
618 1 51 ILE HG13 1 62 CYS HB2 3.160 . 4.408 4.421 4.323 4.473 0.065 19 0 "[ . 1 . 2]" 1
619 1 51 ILE HG12 1 62 CYS HB2 2.918 . 3.982 3.548 3.362 3.847 . 0 0 "[ . 1 . 2]" 1
620 1 50 PRO HA 1 50 PRO HB3 2.256 . 2.892 2.275 2.268 2.293 . 0 0 "[ . 1 . 2]" 1
621 1 50 PRO HA 1 50 PRO HB2 2.423 . 3.157 2.907 2.713 2.939 . 0 0 "[ . 1 . 2]" 1
622 1 50 PRO HA 1 50 PRO HD3 3.187 . 4.457 3.890 3.863 3.917 . 0 0 "[ . 1 . 2]" 1
623 1 50 PRO HA 1 51 ILE HG13 3.111 . 4.321 3.500 3.427 3.555 . 0 0 "[ . 1 . 2]" 1
624 1 50 PRO HA 1 51 ILE HG12 3.122 . 4.340 4.344 4.274 4.383 0.043 9 0 "[ . 1 . 2]" 1
625 1 66 PRO HG2 1 84 ILE HB 2.807 . 3.792 2.239 1.946 2.481 . 0 0 "[ . 1 . 2]" 1
626 1 66 PRO HG2 1 84 ILE HG13 3.355 . 4.762 4.376 3.888 4.646 . 0 0 "[ . 1 . 2]" 1
627 1 66 PRO HG2 1 86 VAL MG2 2.859 . 3.881 2.426 2.013 2.743 . 0 0 "[ . 1 . 2]" 1
628 1 66 PRO HG2 1 84 ILE MG 3.050 . 4.213 3.612 3.311 3.837 . 0 0 "[ . 1 . 2]" 1
629 1 65 ASN HA 1 66 PRO HG2 3.320 . 4.698 4.298 4.199 4.397 . 0 0 "[ . 1 . 2]" 1
630 1 65 ASN HA 1 66 PRO HD2 2.077 . 2.616 2.151 2.027 2.294 . 0 0 "[ . 1 . 2]" 1
631 1 65 ASN HA 1 66 PRO HD3 2.055 . 2.583 2.131 2.082 2.167 . 0 0 "[ . 1 . 2]" 1
632 1 65 ASN HA 1 65 ASN QB 2.508 . 2.808 2.346 2.301 2.368 . 0 0 "[ . 1 . 2]" 1
633 1 18 LEU MD1 1 65 ASN HA 3.090 . 4.284 3.992 3.810 4.150 . 0 0 "[ . 1 . 2]" 1
634 1 65 ASN H 1 65 ASN HA 2.651 . 3.529 2.947 2.935 2.952 . 0 0 "[ . 1 . 2]" 1
635 1 84 ILE MG 1 85 ASN HA 3.404 . 4.853 3.845 3.787 3.961 . 0 0 "[ . 1 . 2]" 1
636 1 84 ILE HA 1 84 ILE MG 2.530 . 3.330 2.428 2.344 2.506 . 0 0 "[ . 1 . 2]" 1
637 1 84 ILE MG 1 85 ASN HB3 3.120 . 4.337 3.579 3.391 3.773 . 0 0 "[ . 1 . 2]" 1
638 1 6 GLN HG3 1 84 ILE MG 2.910 . 3.968 2.634 2.136 3.807 . 0 0 "[ . 1 . 2]" 1
639 1 6 GLN HB2 1 84 ILE MG 3.163 . 4.413 3.322 2.892 3.835 . 0 0 "[ . 1 . 2]" 1
640 1 6 GLN HB3 1 84 ILE MG 2.536 . 3.340 2.950 2.323 3.440 0.100 2 0 "[ . 1 . 2]" 1
641 1 84 ILE HB 1 84 ILE MG 2.170 . 2.759 2.121 2.115 2.128 . 0 0 "[ . 1 . 2]" 1
642 1 84 ILE HG13 1 84 ILE MG 2.675 . 3.570 2.324 2.270 2.453 . 0 0 "[ . 1 . 2]" 1
643 1 84 ILE MG 1 85 ASN H 2.875 . 3.908 2.207 2.105 2.333 . 0 0 "[ . 1 . 2]" 1
644 1 18 LEU MD1 1 67 ALA MB 2.203 . 2.810 1.946 1.871 2.043 . 0 0 "[ . 1 . 2]" 1
645 1 18 LEU MD2 1 67 ALA MB 2.109 . 2.665 1.861 1.812 1.930 . 0 0 "[ . 1 . 2]" 1
646 1 13 GLN HG2 1 67 ALA MB 3.198 . 4.477 4.446 4.100 4.571 0.094 16 0 "[ . 1 . 2]" 1
647 1 67 ALA MB 1 81 CYS HB3 2.280 . 2.930 2.000 1.924 2.111 . 0 0 "[ . 1 . 2]" 1
648 1 67 ALA MB 1 81 CYS HB2 2.561 . 3.381 3.455 3.409 3.502 0.121 16 0 "[ . 1 . 2]" 1
649 1 13 GLN HB2 1 67 ALA MB 2.678 . 3.575 2.805 2.654 3.041 . 0 0 "[ . 1 . 2]" 1
650 1 18 LEU HB3 1 67 ALA MB 3.098 . 4.298 4.287 4.164 4.363 0.065 12 0 "[ . 1 . 2]" 1
651 1 18 LEU HG 1 67 ALA MB 2.807 . 3.792 3.461 3.296 3.560 . 0 0 "[ . 1 . 2]" 1
652 1 67 ALA H 1 67 ALA MB 2.324 . 2.999 2.651 2.589 2.713 . 0 0 "[ . 1 . 2]" 1
653 1 13 GLN H 1 67 ALA MB 3.217 . 4.510 4.155 3.981 4.425 . 0 0 "[ . 1 . 2]" 1
654 1 67 ALA MB 1 82 ASN H 2.716 . 3.638 3.180 3.026 3.364 . 0 0 "[ . 1 . 2]" 1
655 1 67 ALA MB 1 68 CYS H 2.344 . 3.031 2.538 2.299 2.762 . 0 0 "[ . 1 . 2]" 1
656 1 67 ALA MB 1 84 ILE H 3.134 . 4.362 3.872 3.710 4.066 . 0 0 "[ . 1 . 2]" 1
657 1 67 ALA MB 1 81 CYS HA 2.909 . 3.967 3.188 2.985 3.357 . 0 0 "[ . 1 . 2]" 1
658 1 66 PRO HA 1 67 ALA MB 3.026 . 4.171 3.918 3.872 3.983 . 0 0 "[ . 1 . 2]" 1
659 1 67 ALA MB 1 68 CYS HA 3.136 . 4.365 3.935 3.762 4.038 . 0 0 "[ . 1 . 2]" 1
660 1 66 PRO HD2 1 66 PRO HG2 2.327 . 3.004 2.279 2.262 2.290 . 0 0 "[ . 1 . 2]" 1
661 1 66 PRO HD2 1 66 PRO HG3 2.476 . 3.243 2.790 2.776 2.817 . 0 0 "[ . 1 . 2]" 1
662 1 21 ALA HA 1 21 ALA MB 1.908 . 2.363 2.123 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
663 1 21 ALA HA 1 44 VAL MG1 2.365 . 3.064 2.649 2.495 2.815 . 0 0 "[ . 1 . 2]" 1
664 1 21 ALA HA 1 22 SER H 3.137 . 4.367 3.288 3.199 3.379 . 0 0 "[ . 1 . 2]" 1
665 1 21 ALA HA 1 27 ALA H 3.429 . 4.899 4.209 3.999 4.346 . 0 0 "[ . 1 . 2]" 1
666 1 21 ALA H 1 21 ALA HA 2.408 . 3.133 2.833 2.811 2.848 . 0 0 "[ . 1 . 2]" 1
667 1 21 ALA HA 1 26 ALA H 3.431 . 4.902 4.924 4.817 4.977 0.075 8 0 "[ . 1 . 2]" 1
668 1 18 LEU MD1 1 65 ASN QB 2.706 . 3.072 2.156 2.022 2.314 . 0 0 "[ . 1 . 2]" 1
669 1 65 ASN H 1 65 ASN QB 2.463 . 3.221 2.644 2.550 2.832 . 0 0 "[ . 1 . 2]" 1
670 1 65 ASN QB 1 65 ASN HD21 2.980 . 4.090 3.289 3.281 3.300 . 0 0 "[ . 1 . 2]" 1
671 1 16 ASN HA 1 16 ASN HB2 2.288 . 2.942 2.555 2.512 2.602 . 0 0 "[ . 1 . 2]" 1
672 1 16 ASN HA 1 16 ASN HB3 2.237 . 2.863 2.997 2.986 3.003 0.140 7 0 "[ . 1 . 2]" 1
673 1 16 ASN HA 1 64 ALA MB 1.972 . 2.458 2.201 2.014 2.440 . 0 0 "[ . 1 . 2]" 1
674 1 16 ASN H 1 16 ASN HA 2.492 . 3.268 2.838 2.813 2.875 . 0 0 "[ . 1 . 2]" 1
675 1 16 ASN HA 1 65 ASN H 3.076 . 4.258 3.759 3.492 4.174 . 0 0 "[ . 1 . 2]" 1
676 1 16 ASN HA 1 17 THR H 2.984 . 4.097 3.506 3.465 3.540 . 0 0 "[ . 1 . 2]" 1
677 1 16 ASN HA 1 65 ASN HD22 3.186 . 4.455 3.549 3.302 3.816 . 0 0 "[ . 1 . 2]" 1
678 1 32 GLN HB2 1 32 GLN HG2 2.031 . 2.547 2.459 2.404 2.546 . 0 0 "[ . 1 . 2]" 1
679 1 32 GLN H 1 32 GLN HG2 2.678 . 3.575 2.685 2.414 2.956 . 0 0 "[ . 1 . 2]" 1
680 1 83 PRO HB3 1 83 PRO HG3 2.209 . 2.819 2.303 2.292 2.308 . 0 0 "[ . 1 . 2]" 1
681 1 24 SER HB3 1 25 GLN H 2.819 . 3.812 3.550 2.776 4.135 0.323 1 0 "[ . 1 . 2]" 1
682 1 33 LEU HA 1 33 LEU HB2 2.355 . 3.048 2.985 2.980 2.995 . 0 0 "[ . 1 . 2]" 1
683 1 33 LEU HA 1 33 LEU HB3 2.357 . 3.051 2.322 2.314 2.337 . 0 0 "[ . 1 . 2]" 1
684 1 33 LEU HA 1 33 LEU MD1 3.012 . 4.146 3.980 3.961 3.989 . 0 0 "[ . 1 . 2]" 1
685 1 33 LEU HA 1 34 GLY H 3.165 . 4.417 3.428 3.406 3.449 . 0 0 "[ . 1 . 2]" 1
686 1 33 LEU H 1 33 LEU HA 2.608 . 3.458 2.878 2.851 2.911 . 0 0 "[ . 1 . 2]" 1
687 1 83 PRO HA 1 83 PRO HB3 2.295 . 2.953 2.275 2.265 2.289 . 0 0 "[ . 1 . 2]" 1
688 1 83 PRO HA 1 83 PRO HB2 2.372 . 3.076 2.944 2.923 2.970 . 0 0 "[ . 1 . 2]" 1
689 1 67 ALA MB 1 83 PRO HA 2.578 . 3.409 2.956 2.701 3.206 . 0 0 "[ . 1 . 2]" 1
690 1 83 PRO HA 1 84 ILE H 2.093 . 2.641 2.148 2.128 2.227 . 0 0 "[ . 1 . 2]" 1
691 1 17 THR MG 1 19 THR HB 2.304 . 2.968 2.399 2.159 2.619 . 0 0 "[ . 1 . 2]" 1
692 1 19 THR HB 1 19 THR MG 2.151 . 2.729 2.127 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
693 1 22 SER H 1 22 SER QB 2.679 . 3.068 2.321 2.249 2.670 . 0 0 "[ . 1 . 2]" 1
694 1 43 PRO HB2 1 43 PRO HD2 3.043 . 4.201 3.512 3.316 3.584 . 0 0 "[ . 1 . 2]" 1
695 1 43 PRO HB3 1 43 PRO HD2 2.859 . 3.881 3.974 3.954 3.981 0.100 17 0 "[ . 1 . 2]" 1
696 1 43 PRO HD2 1 43 PRO HG2 2.183 . 2.778 2.239 2.226 2.266 . 0 0 "[ . 1 . 2]" 1
697 1 42 VAL MG2 1 43 PRO HD2 2.766 . 3.723 3.754 3.682 3.851 0.128 3 0 "[ . 1 . 2]" 1
698 1 42 VAL MG1 1 43 PRO HD2 2.471 . 3.234 1.994 1.929 2.132 . 0 0 "[ . 1 . 2]" 1
699 1 42 VAL HA 1 43 PRO HD2 2.045 . 2.568 2.480 2.423 2.553 . 0 0 "[ . 1 . 2]" 1
700 1 43 PRO HD2 1 81 CYS H 3.198 . 4.476 4.390 4.124 4.489 0.013 4 0 "[ . 1 . 2]" 1
701 1 37 GLY HA2 1 38 VAL MG2 3.404 . 4.852 4.728 4.615 4.846 . 0 0 "[ . 1 . 2]" 1
702 1 34 GLY H 1 34 GLY HA3 2.231 . 2.853 2.883 2.869 2.895 0.042 3 0 "[ . 1 . 2]" 1
703 1 34 GLY HA3 1 35 LEU H 2.710 . 3.628 3.508 3.464 3.526 . 0 0 "[ . 1 . 2]" 1
704 1 44 VAL HA 1 44 VAL MG1 2.109 . 2.665 2.389 2.360 2.412 . 0 0 "[ . 1 . 2]" 1
705 1 44 VAL HA 1 44 VAL HB 2.237 . 2.863 2.446 2.420 2.469 . 0 0 "[ . 1 . 2]" 1
706 1 44 VAL HA 1 45 GLY H 2.195 . 2.797 2.336 2.257 2.439 . 0 0 "[ . 1 . 2]" 1
707 1 18 LEU MD1 1 81 CYS HB3 3.266 . 4.599 3.774 3.513 4.011 . 0 0 "[ . 1 . 2]" 1
708 1 81 CYS H 1 81 CYS HB3 2.700 . 3.611 3.633 3.585 3.668 0.057 20 0 "[ . 1 . 2]" 1
709 1 43 PRO HA 1 43 PRO HB2 2.446 . 3.194 2.817 2.792 2.863 . 0 0 "[ . 1 . 2]" 1
710 1 43 PRO HA 1 43 PRO HB3 2.236 . 2.861 2.256 2.254 2.262 . 0 0 "[ . 1 . 2]" 1
711 1 20 SER HA 1 43 PRO HA 2.363 . 3.061 2.647 2.401 2.890 . 0 0 "[ . 1 . 2]" 1
712 1 86 VAL HA 1 86 VAL MG1 2.457 . 3.212 2.272 2.233 2.298 . 0 0 "[ . 1 . 2]" 1
713 1 86 VAL HB 1 86 VAL MG1 2.346 . 3.034 2.128 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
714 1 86 VAL H 1 86 VAL MG1 2.874 . 3.906 3.144 3.090 3.387 . 0 0 "[ . 1 . 2]" 1
715 1 80 GLN HA 1 80 GLN QB 2.592 . 2.713 2.439 2.387 2.480 . 0 0 "[ . 1 . 2]" 1
716 1 43 PRO HB2 1 80 GLN HA 2.631 . 3.496 2.757 2.645 2.876 . 0 0 "[ . 1 . 2]" 1
717 1 43 PRO HB3 1 80 GLN HA 2.916 . 3.979 4.129 4.091 4.162 0.183 12 0 "[ . 1 . 2]" 1
718 1 42 VAL MG1 1 80 GLN HA 2.420 . 3.152 3.216 3.177 3.253 0.101 4 0 "[ . 1 . 2]" 1
719 1 79 VAL HA 1 80 GLN HA 3.085 . 4.274 4.347 4.334 4.379 0.105 3 0 "[ . 1 . 2]" 1
720 1 43 PRO HD2 1 80 GLN HA 2.740 . 3.679 2.406 2.174 2.549 . 0 0 "[ . 1 . 2]" 1
721 1 80 GLN H 1 80 GLN HA 2.065 . 2.598 2.253 2.251 2.260 . 0 0 "[ . 1 . 2]" 1
722 1 80 GLN HA 1 81 CYS H 2.173 . 2.763 2.570 2.473 2.639 . 0 0 "[ . 1 . 2]" 1
723 1 32 GLN HA 1 32 GLN HG3 2.821 . 3.815 3.707 3.656 3.774 . 0 0 "[ . 1 . 2]" 1
724 1 88 LEU H 1 88 LEU HG 3.303 . 4.667 4.583 3.538 4.819 0.152 3 0 "[ . 1 . 2]" 1
725 1 9 ALA HA 1 9 ALA MB 2.101 . 2.653 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
726 1 9 ALA HA 1 10 GLY H 2.483 . 3.254 3.290 3.136 3.443 0.189 19 0 "[ . 1 . 2]" 1
727 1 84 ILE HA 1 85 ASN HB2 3.432 . 4.904 4.506 4.383 4.671 . 0 0 "[ . 1 . 2]" 1
728 1 84 ILE HA 1 84 ILE HB 2.351 . 3.042 3.010 3.005 3.014 . 0 0 "[ . 1 . 2]" 1
729 1 84 ILE HA 1 84 ILE HG13 2.715 . 3.636 3.715 3.683 3.755 0.119 15 0 "[ . 1 . 2]" 1
730 1 84 ILE HA 1 84 ILE MD 2.411 . 3.138 2.015 1.961 2.110 . 0 0 "[ . 1 . 2]" 1
731 1 84 ILE HA 1 85 ASN HB3 3.190 . 4.462 4.591 4.495 4.852 0.390 13 0 "[ . 1 . 2]" 1
732 1 84 ILE HA 1 84 ILE HG12 2.731 . 3.663 3.096 2.916 3.213 . 0 0 "[ . 1 . 2]" 1
733 1 19 THR MG 1 23 ASN HB3 2.405 . 3.128 2.510 2.399 2.629 . 0 0 "[ . 1 . 2]" 1
734 1 19 THR MG 1 26 ALA MB 2.221 . 2.838 2.735 2.608 2.871 0.033 16 0 "[ . 1 . 2]" 1
735 1 19 THR MG 1 46 ILE HG13 2.531 . 3.332 3.548 3.486 3.658 0.326 16 0 "[ . 1 . 2]" 1
736 1 19 THR MG 1 44 VAL HB 3.410 . 4.863 4.766 4.547 4.868 0.005 16 0 "[ . 1 . 2]" 1
737 1 19 THR MG 1 44 VAL H 3.222 . 4.520 4.328 4.177 4.467 . 0 0 "[ . 1 . 2]" 1
738 1 19 THR H 1 19 THR MG 2.318 . 2.990 2.452 2.266 2.618 . 0 0 "[ . 1 . 2]" 1
739 1 19 THR MG 1 23 ASN HD22 2.871 . 3.901 3.344 3.010 3.635 . 0 0 "[ . 1 . 2]" 1
740 1 19 THR MG 1 26 ALA H 3.060 . 4.231 3.663 3.531 3.815 . 0 0 "[ . 1 . 2]" 1
741 1 19 THR MG 1 23 ASN HD21 3.410 . 4.863 3.591 3.224 3.854 . 0 0 "[ . 1 . 2]" 1
742 1 18 LEU HA 1 19 THR MG 2.950 . 4.038 3.659 3.555 3.823 . 0 0 "[ . 1 . 2]" 1
743 1 35 LEU HA 1 35 LEU QD . . 2.724 1.908 1.877 1.933 0.079 15 0 "[ . 1 . 2]" 1
744 1 30 ILE QG 1 35 LEU QD 3.338 . 4.731 2.569 2.280 3.367 . 0 0 "[ . 1 . 2]" 1
745 1 54 ILE MD 1 54 ILE HG13 2.191 . 2.791 2.120 2.118 2.121 . 0 0 "[ . 1 . 2]" 1
746 1 77 LEU H 1 77 LEU HG 3.368 . 4.786 4.707 4.690 4.726 . 0 0 "[ . 1 . 2]" 1
747 1 88 LEU HA 1 88 LEU HB2 2.803 . 3.785 2.476 2.355 2.640 . 0 0 "[ . 1 . 2]" 1
748 1 85 ASN HA 1 88 LEU HA 2.949 . 4.036 3.909 3.103 4.187 0.151 4 0 "[ . 1 . 2]" 1
749 1 88 LEU H 1 88 LEU HA 2.929 . 4.001 2.465 2.234 2.866 . 0 0 "[ . 1 . 2]" 1
750 1 31 GLN HA 1 34 GLY HA2 3.058 . 4.227 3.181 3.019 3.341 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLY HA2 1 35 LEU H 2.783 . 3.751 2.800 2.731 2.954 . 0 0 "[ . 1 . 2]" 1
752 1 15 CYS HB3 1 45 GLY HA3 2.705 . 3.620 3.300 3.093 3.563 . 0 0 "[ . 1 . 2]" 1
753 1 18 LEU MD2 1 45 GLY HA3 2.446 . 3.194 2.766 2.717 2.834 . 0 0 "[ . 1 . 2]" 1
754 1 44 VAL MG2 1 45 GLY HA3 3.390 . 4.827 4.643 4.451 4.801 . 0 0 "[ . 1 . 2]" 1
755 1 45 GLY HA3 1 78 GLY H 3.450 . 4.938 3.453 3.299 3.637 . 0 0 "[ . 1 . 2]" 1
756 1 45 GLY H 1 45 GLY HA3 2.522 . 3.317 2.472 2.439 2.521 . 0 0 "[ . 1 . 2]" 1
757 1 45 GLY HA3 1 46 ILE H 2.394 . 3.110 3.143 3.084 3.198 0.088 1 0 "[ . 1 . 2]" 1
758 1 84 ILE MD 1 84 ILE HG12 2.084 . 2.627 2.115 2.106 2.119 . 0 0 "[ . 1 . 2]" 1
759 1 19 THR MG 1 46 ILE HB 2.910 . 3.969 3.646 3.540 3.850 . 0 0 "[ . 1 . 2]" 1
760 1 18 LEU MD1 1 81 CYS HB2 3.211 . 4.500 4.539 4.488 4.575 0.075 8 0 "[ . 1 . 2]" 1
761 1 81 CYS HB2 1 82 ASN H 3.240 . 4.552 4.377 4.285 4.460 . 0 0 "[ . 1 . 2]" 1
762 1 13 GLN HB3 1 48 CYS HB2 2.830 . 3.831 3.720 3.465 3.919 0.088 19 0 "[ . 1 . 2]" 1
763 1 48 CYS HB2 1 49 ASN H 3.443 . 4.925 4.191 3.982 4.473 . 0 0 "[ . 1 . 2]" 1
764 1 43 PRO HB2 1 43 PRO HG2 2.034 . 2.551 2.235 2.230 2.244 . 0 0 "[ . 1 . 2]" 1
765 1 43 PRO HB2 1 81 CYS H 3.000 . 4.125 2.200 1.932 2.486 . 0 0 "[ . 1 . 2]" 1
766 1 27 ALA HA 1 30 ILE HA 3.293 . 4.649 4.736 4.720 4.771 0.122 16 0 "[ . 1 . 2]" 1
767 1 27 ALA HA 1 30 ILE HB 2.192 . 2.792 1.915 1.862 1.947 . 0 0 "[ . 1 . 2]" 1
768 1 27 ALA HA 1 30 ILE MD 2.214 . 2.827 2.183 2.135 2.243 . 0 0 "[ . 1 . 2]" 1
769 1 27 ALA HA 1 30 ILE QG 2.984 . 4.097 3.032 2.979 3.087 . 0 0 "[ . 1 . 2]" 1
770 1 27 ALA HA 1 31 GLN HB2 3.309 . 4.677 4.761 4.735 4.780 0.103 14 0 "[ . 1 . 2]" 1
771 1 27 ALA H 1 27 ALA HA 2.336 . 3.018 2.810 2.802 2.822 . 0 0 "[ . 1 . 2]" 1
772 1 27 ALA HA 1 28 GLY H 3.073 . 4.254 3.534 3.512 3.550 . 0 0 "[ . 1 . 2]" 1
773 1 27 ALA HA 1 29 LEU H 3.372 . 4.793 4.328 4.086 4.540 . 0 0 "[ . 1 . 2]" 1
774 1 80 GLN HA 1 80 GLN HG2 2.819 . 3.813 2.663 2.530 2.781 . 0 0 "[ . 1 . 2]" 1
775 1 80 GLN H 1 80 GLN HG2 3.211 . 4.500 2.863 2.748 3.034 . 0 0 "[ . 1 . 2]" 1
776 1 80 GLN HE22 1 80 GLN HG2 2.671 . 3.563 2.265 2.198 2.294 . 0 0 "[ . 1 . 2]" 1
777 1 80 GLN HG2 1 81 CYS H 3.302 . 4.665 4.835 4.767 4.856 0.191 18 0 "[ . 1 . 2]" 1
778 1 80 GLN HE21 1 80 GLN HG2 3.065 . 4.239 3.493 3.473 3.504 . 0 0 "[ . 1 . 2]" 1
779 1 26 ALA HA 1 29 LEU HB3 3.183 . 4.449 4.572 4.531 4.598 0.149 3 0 "[ . 1 . 2]" 1
780 1 29 LEU HB3 1 29 LEU HG 2.920 . 3.985 3.013 3.011 3.017 . 0 0 "[ . 1 . 2]" 1
781 1 29 LEU HB3 1 75 ASN HD21 3.149 . 4.388 1.890 1.821 2.752 0.089 20 0 "[ . 1 . 2]" 1
782 1 84 ILE HB 1 84 ILE HG13 2.607 . 3.457 2.461 2.377 2.489 . 0 0 "[ . 1 . 2]" 1
783 1 84 ILE HB 1 84 ILE HG12 2.637 . 3.506 2.429 2.402 2.526 . 0 0 "[ . 1 . 2]" 1
784 1 66 PRO HG3 1 84 ILE HB 3.120 . 4.337 3.380 3.100 3.803 . 0 0 "[ . 1 . 2]" 1
785 1 52 THR HB 1 52 THR MG 2.065 . 2.598 2.139 2.137 2.142 . 0 0 "[ . 1 . 2]" 1
786 1 18 LEU MD1 1 83 PRO HG2 2.827 . 3.826 3.747 3.489 3.850 0.024 7 0 "[ . 1 . 2]" 1
787 1 63 ASN HA 1 63 ASN QB 2.804 . 3.787 2.262 2.174 2.377 . 0 0 "[ . 1 . 2]" 1
788 1 63 ASN QB 1 63 ASN HD22 3.096 . 4.294 2.183 2.135 2.221 . 0 0 "[ . 1 . 2]" 1
789 1 28 GLY HA2 1 31 GLN HB2 2.544 . 3.353 3.113 2.978 3.253 . 0 0 "[ . 1 . 2]" 1
790 1 28 GLY HA3 1 29 LEU HG 3.286 . 4.636 4.092 4.043 4.138 . 0 0 "[ . 1 . 2]" 1
791 1 28 GLY HA2 1 31 GLN H 2.895 . 3.943 3.874 3.778 3.959 0.016 7 0 "[ . 1 . 2]" 1
792 1 74 THR HA 1 76 GLY HA2 3.020 . 4.160 4.272 4.236 4.311 0.151 1 0 "[ . 1 . 2]" 1
793 1 74 THR HA 1 74 THR MG 2.178 . 2.771 2.272 2.223 2.345 . 0 0 "[ . 1 . 2]" 1
794 1 74 THR HA 1 74 THR HB 2.306 . 2.971 2.804 2.514 3.018 0.047 3 0 "[ . 1 . 2]" 1
795 1 74 THR HA 1 76 GLY H 2.945 . 4.029 3.330 3.220 3.460 . 0 0 "[ . 1 . 2]" 1
796 1 74 THR HA 1 75 ASN H 2.931 . 4.005 3.433 3.339 3.491 . 0 0 "[ . 1 . 2]" 1
797 1 11 PRO HG2 1 50 PRO HB3 2.632 . 3.498 3.329 2.951 3.537 0.039 19 0 "[ . 1 . 2]" 1
798 1 11 PRO HB3 1 11 PRO HG2 2.553 . 3.367 2.983 2.969 2.993 . 0 0 "[ . 1 . 2]" 1
799 1 11 PRO HG2 1 13 GLN HE22 3.089 . 4.282 2.292 1.886 3.092 0.010 5 0 "[ . 1 . 2]" 1
800 1 11 PRO HG2 1 13 GLN HE21 3.161 . 4.410 1.986 1.875 2.319 0.037 18 0 "[ . 1 . 2]" 1
801 1 38 VAL HA 1 38 VAL MG1 2.164 . 2.750 2.316 2.258 2.348 . 0 0 "[ . 1 . 2]" 1
802 1 38 VAL HB 1 38 VAL MG1 1.963 . 2.444 2.124 2.123 2.127 . 0 0 "[ . 1 . 2]" 1
803 1 38 VAL MG1 1 39 GLY H 2.549 . 3.361 3.120 2.867 3.184 . 0 0 "[ . 1 . 2]" 1
804 1 18 LEU MD1 1 83 PRO HA 3.446 . 4.931 2.342 2.097 2.470 . 0 0 "[ . 1 . 2]" 1
805 1 18 LEU MD1 1 83 PRO HG3 2.719 . 3.643 2.311 1.990 2.451 . 0 0 "[ . 1 . 2]" 1
806 1 18 LEU HB2 1 18 LEU MD1 2.402 . 3.123 2.319 2.296 2.340 . 0 0 "[ . 1 . 2]" 1
807 1 18 LEU HB3 1 18 LEU MD1 2.472 . 3.236 2.377 2.352 2.403 . 0 0 "[ . 1 . 2]" 1
808 1 72 VAL HA 1 78 GLY HA2 3.002 . 4.129 1.919 1.866 2.048 0.009 8 0 "[ . 1 . 2]" 1
809 1 69 CYS QB 1 78 GLY HA2 3.231 . 4.536 3.601 3.283 3.915 . 0 0 "[ . 1 . 2]" 1
810 1 77 LEU MD2 1 78 GLY HA2 3.010 . 4.143 4.147 4.111 4.172 0.029 11 0 "[ . 1 . 2]" 1
811 1 78 GLY HA2 1 79 VAL H 2.340 . 3.025 2.195 2.139 2.247 . 0 0 "[ . 1 . 2]" 1
812 1 26 ALA MB 1 46 ILE MD 2.147 . 2.723 2.053 1.944 2.292 . 0 0 "[ . 1 . 2]" 1
813 1 23 ASN HB3 1 26 ALA MB 2.312 . 2.980 2.502 2.385 2.587 . 0 0 "[ . 1 . 2]" 1
814 1 26 ALA MB 1 30 ILE QG 2.819 . 3.812 3.021 2.930 3.141 . 0 0 "[ . 1 . 2]" 1
815 1 26 ALA HA 1 26 ALA MB 1.925 . 2.388 2.127 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
816 1 21 ALA HA 1 26 ALA MB 2.039 . 2.559 2.186 2.075 2.352 . 0 0 "[ . 1 . 2]" 1
817 1 26 ALA MB 1 27 ALA H 2.204 . 2.811 2.289 2.219 2.360 . 0 0 "[ . 1 . 2]" 1
818 1 9 ALA H 1 9 ALA MB 2.541 . 3.348 2.284 2.238 2.317 . 0 0 "[ . 1 . 2]" 1
819 1 26 ALA H 1 26 ALA MB 2.085 . 2.628 2.214 2.204 2.225 . 0 0 "[ . 1 . 2]" 1
820 1 9 ALA MB 1 10 GLY H 2.788 . 3.760 3.208 2.799 3.472 . 0 0 "[ . 1 . 2]" 1
821 1 19 THR HA 1 20 SER HA 3.426 . 4.893 4.344 4.306 4.377 . 0 0 "[ . 1 . 2]" 1
822 1 20 SER HA 1 20 SER HB2 2.280 . 2.930 2.881 2.469 3.030 0.100 19 0 "[ . 1 . 2]" 1
823 1 20 SER HA 1 21 ALA HA 3.098 . 4.297 4.275 4.249 4.312 0.015 6 0 "[ . 1 . 2]" 1
824 1 20 SER HA 1 21 ALA MB 2.971 . 4.074 4.062 4.016 4.089 0.015 15 0 "[ . 1 . 2]" 1
825 1 20 SER HA 1 44 VAL MG1 2.812 . 3.801 3.674 3.417 3.824 0.023 5 0 "[ . 1 . 2]" 1
826 1 20 SER HA 1 44 VAL MG2 2.635 . 3.503 2.828 2.619 2.991 . 0 0 "[ . 1 . 2]" 1
827 1 20 SER HA 1 44 VAL H 2.597 . 3.440 3.020 2.802 3.229 . 0 0 "[ . 1 . 2]" 1
828 1 20 SER HA 1 21 ALA H 2.051 . 2.577 2.384 2.297 2.452 . 0 0 "[ . 1 . 2]" 1
829 1 20 SER HA 1 22 SER H 3.302 . 4.665 3.962 3.884 4.047 . 0 0 "[ . 1 . 2]" 1
830 1 42 VAL HA 1 43 PRO HD3 2.115 . 2.674 1.900 1.825 1.947 . 0 0 "[ . 1 . 2]" 1
831 1 42 VAL HA 1 42 VAL HB 2.447 . 3.195 3.018 3.014 3.023 . 0 0 "[ . 1 . 2]" 1
832 1 42 VAL HA 1 42 VAL MG2 2.144 . 2.719 2.307 2.277 2.333 . 0 0 "[ . 1 . 2]" 1
833 1 42 VAL HA 1 42 VAL MG1 2.282 . 2.933 2.384 2.352 2.419 . 0 0 "[ . 1 . 2]" 1
834 1 38 VAL MG1 1 42 VAL HA 3.187 . 4.457 4.522 4.486 4.559 0.102 10 0 "[ . 1 . 2]" 1
835 1 42 VAL H 1 42 VAL HA 2.545 . 3.355 2.869 2.760 2.927 . 0 0 "[ . 1 . 2]" 1
836 1 3 GLY QA 1 52 THR MG 3.269 . 4.605 3.236 2.145 4.283 . 0 0 "[ . 1 . 2]" 1
837 1 50 PRO HD2 1 52 THR MG 3.391 . 4.828 4.858 4.798 4.902 0.074 10 0 "[ . 1 . 2]" 1
838 1 50 PRO HB3 1 52 THR MG 2.849 . 3.863 3.230 2.957 3.744 . 0 0 "[ . 1 . 2]" 1
839 1 50 PRO HB2 1 52 THR MG 2.637 . 3.506 2.446 2.249 2.530 . 0 0 "[ . 1 . 2]" 1
840 1 33 LEU HB2 1 35 LEU QD 2.792 . 3.766 2.825 1.686 2.954 0.132 17 0 "[ . 1 . 2]" 1
841 1 35 LEU H 1 35 LEU QD 2.805 . 3.746 3.233 1.948 3.387 . 0 0 "[ . 1 . 2]" 1
842 1 51 ILE HA 1 51 ILE HB 2.477 . 3.244 2.988 2.979 3.000 . 0 0 "[ . 1 . 2]" 1
843 1 51 ILE HA 1 51 ILE HG13 2.680 . 3.578 3.384 3.350 3.407 . 0 0 "[ . 1 . 2]" 1
844 1 51 ILE HA 1 52 THR MG 3.096 . 4.294 4.104 4.024 4.196 . 0 0 "[ . 1 . 2]" 1
845 1 51 ILE HA 1 51 ILE HG12 2.530 . 3.330 2.776 2.723 2.824 . 0 0 "[ . 1 . 2]" 1
846 1 51 ILE HA 1 51 ILE MG 2.264 . 2.905 2.219 2.192 2.248 . 0 0 "[ . 1 . 2]" 1
847 1 51 ILE HA 1 51 ILE MD 2.811 . 3.799 3.900 3.872 3.924 0.125 16 0 "[ . 1 . 2]" 1
848 1 51 ILE H 1 51 ILE HA 2.698 . 3.608 2.886 2.866 2.914 . 0 0 "[ . 1 . 2]" 1
849 1 66 PRO HG3 1 84 ILE MG 2.996 . 4.118 4.112 3.770 4.262 0.144 13 0 "[ . 1 . 2]" 1
850 1 66 PRO HG3 1 86 VAL HB 2.759 . 3.710 3.795 3.735 3.861 0.151 13 0 "[ . 1 . 2]" 1
851 1 66 PRO HA 1 66 PRO HG3 3.115 . 4.328 4.028 3.922 4.055 . 0 0 "[ . 1 . 2]" 1
852 1 65 ASN HA 1 66 PRO HG3 3.250 . 4.570 4.282 4.239 4.321 . 0 0 "[ . 1 . 2]" 1
853 1 12 VAL QG 1 52 THR MG 2.421 . 3.154 3.263 3.192 3.382 0.228 20 0 "[ . 1 . 2]" 1
854 1 28 GLY HA2 1 31 GLN HG3 3.328 . 4.713 4.495 4.350 4.624 . 0 0 "[ . 1 . 2]" 1
855 1 77 LEU MD1 1 77 LEU MD2 2.016 . 2.524 2.065 2.057 2.071 . 0 0 "[ . 1 . 2]" 1
856 1 44 VAL MG2 1 77 LEU MD2 2.497 . 3.276 3.059 2.937 3.239 . 0 0 "[ . 1 . 2]" 1
857 1 77 LEU HA 1 77 LEU MD2 3.016 . 4.153 2.069 2.035 2.100 . 0 0 "[ . 1 . 2]" 1
858 1 46 ILE HA 1 77 LEU MD2 2.909 . 3.967 3.377 3.290 3.516 . 0 0 "[ . 1 . 2]" 1
859 1 44 VAL HB 1 77 LEU MD2 2.414 . 3.143 2.398 2.307 2.519 . 0 0 "[ . 1 . 2]" 1
860 1 29 LEU HB2 1 77 LEU MD2 2.470 . 3.233 2.460 2.371 2.546 . 0 0 "[ . 1 . 2]" 1
861 1 77 LEU MD2 1 77 LEU HG 2.121 . 2.683 2.116 2.113 2.120 . 0 0 "[ . 1 . 2]" 1
862 1 77 LEU HB2 1 77 LEU MD2 2.227 . 2.847 2.536 2.516 2.569 . 0 0 "[ . 1 . 2]" 1
863 1 30 ILE H 1 77 LEU MD2 3.268 . 4.603 3.586 3.498 3.643 . 0 0 "[ . 1 . 2]" 1
864 1 77 LEU H 1 77 LEU MD2 3.156 . 4.401 4.184 4.160 4.204 . 0 0 "[ . 1 . 2]" 1
865 1 85 ASN HA 1 88 LEU MD1 3.458 . 4.953 3.472 2.789 4.742 . 0 0 "[ . 1 . 2]" 1
866 1 26 ALA MB 1 44 VAL HB 3.144 . 4.380 3.227 2.998 3.339 . 0 0 "[ . 1 . 2]" 1
867 1 44 VAL HB 1 44 VAL MG1 2.095 . 2.643 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
868 1 44 VAL HB 1 77 LEU MD1 3.149 . 4.389 3.537 3.403 3.699 . 0 0 "[ . 1 . 2]" 1
869 1 44 VAL HB 1 46 ILE MD 2.983 . 4.096 3.354 3.196 3.535 . 0 0 "[ . 1 . 2]" 1
870 1 44 VAL H 1 44 VAL HB 3.100 . 4.302 3.904 3.888 3.920 . 0 0 "[ . 1 . 2]" 1
871 1 33 LEU HB2 1 33 LEU MD2 2.858 . 3.879 3.198 3.190 3.203 . 0 0 "[ . 1 . 2]" 1
872 1 33 LEU HB2 1 33 LEU MD1 2.422 . 3.156 2.244 2.224 2.346 . 0 0 "[ . 1 . 2]" 1
873 1 30 ILE HA 1 33 LEU HB2 3.358 . 4.768 3.480 3.380 3.535 . 0 0 "[ . 1 . 2]" 1
874 1 33 LEU H 1 33 LEU HB2 2.565 . 3.387 2.779 2.723 2.800 . 0 0 "[ . 1 . 2]" 1
875 1 33 LEU HB2 1 35 LEU H 3.181 . 4.446 2.968 2.743 3.077 . 0 0 "[ . 1 . 2]" 1
876 1 43 PRO HB3 1 81 CYS H 3.296 . 4.654 3.921 3.629 4.226 . 0 0 "[ . 1 . 2]" 1
877 1 31 GLN HA 1 31 GLN HG3 2.445 . 3.192 2.997 2.934 3.069 . 0 0 "[ . 1 . 2]" 1
878 1 30 ILE HA 1 31 GLN HA 3.229 . 4.532 4.658 4.632 4.681 0.149 9 0 "[ . 1 . 2]" 1
879 1 31 GLN H 1 31 GLN HA 2.130 . 2.697 2.810 2.795 2.820 0.123 19 0 "[ . 1 . 2]" 1
880 1 31 GLN HA 1 34 GLY H 2.547 . 3.358 3.075 2.932 3.240 . 0 0 "[ . 1 . 2]" 1
881 1 31 GLN HA 1 33 LEU H 3.265 . 4.597 4.200 3.926 4.520 . 0 0 "[ . 1 . 2]" 1
882 1 31 GLN HA 1 35 LEU H 3.099 . 4.300 3.649 3.481 4.007 . 0 0 "[ . 1 . 2]" 1
883 1 5 SER HA 1 6 GLN H 2.811 . 3.799 3.428 3.101 3.556 . 0 0 "[ . 1 . 2]" 1
884 1 38 VAL MG1 1 42 VAL HB 2.384 . 3.095 2.208 2.149 2.283 . 0 0 "[ . 1 . 2]" 1
885 1 38 VAL HA 1 42 VAL HB 3.025 . 4.169 3.683 3.608 3.809 . 0 0 "[ . 1 . 2]" 1
886 1 70 ASP HB3 1 80 GLN QB 2.827 . 3.826 2.359 2.194 2.513 . 0 0 "[ . 1 . 2]" 1
887 1 9 ALA MB 1 70 ASP HB3 3.448 . 4.934 4.871 4.575 5.077 0.143 20 0 "[ . 1 . 2]" 1
888 1 70 ASP HA 1 70 ASP HB3 2.545 . 3.355 3.027 3.020 3.037 . 0 0 "[ . 1 . 2]" 1
889 1 51 ILE HB 1 51 ILE HG13 2.583 . 3.417 2.452 2.435 2.477 . 0 0 "[ . 1 . 2]" 1
890 1 51 ILE HB 1 51 ILE MG 2.303 . 2.966 2.132 2.126 2.137 . 0 0 "[ . 1 . 2]" 1
891 1 51 ILE HB 1 52 THR H 3.292 . 4.646 4.314 4.301 4.344 . 0 0 "[ . 1 . 2]" 1
892 1 37 GLY HA3 1 38 VAL MG2 3.330 . 4.716 3.845 3.746 3.934 . 0 0 "[ . 1 . 2]" 1
893 1 62 CYS HB3 1 66 PRO HD3 3.113 . 4.324 2.783 2.575 3.267 . 0 0 "[ . 1 . 2]" 1
894 1 66 PRO HD3 1 66 PRO HG2 2.415 . 3.144 2.947 2.909 2.961 . 0 0 "[ . 1 . 2]" 1
895 1 66 PRO HD3 1 66 PRO HG3 2.344 . 3.031 2.287 2.268 2.296 . 0 0 "[ . 1 . 2]" 1
896 1 65 ASN H 1 66 PRO HD3 3.432 . 4.904 4.211 4.052 4.379 . 0 0 "[ . 1 . 2]" 1
897 1 40 ALA HA 1 42 VAL MG2 3.140 . 4.373 4.487 4.400 4.538 0.165 19 0 "[ . 1 . 2]" 1
898 1 26 ALA HA 1 29 LEU HB2 2.540 . 3.346 3.003 2.980 3.021 . 0 0 "[ . 1 . 2]" 1
899 1 26 ALA HA 1 29 LEU HG 2.857 . 3.877 3.555 3.457 3.645 . 0 0 "[ . 1 . 2]" 1
900 1 26 ALA HA 1 29 LEU MD1 2.174 . 2.765 2.628 2.420 2.757 . 0 0 "[ . 1 . 2]" 1
901 1 26 ALA HA 1 46 ILE MD 2.433 . 3.173 2.974 2.896 3.132 . 0 0 "[ . 1 . 2]" 1
902 1 26 ALA HA 1 27 ALA H 3.006 . 4.136 3.574 3.564 3.582 . 0 0 "[ . 1 . 2]" 1
903 1 26 ALA H 1 26 ALA HA 2.482 . 3.252 2.834 2.802 2.866 . 0 0 "[ . 1 . 2]" 1
904 1 18 LEU MD2 1 81 CYS HB3 2.509 . 3.296 2.340 2.184 2.493 . 0 0 "[ . 1 . 2]" 1
905 1 18 LEU MD2 1 81 CYS HB2 2.551 . 3.364 2.694 2.641 2.766 . 0 0 "[ . 1 . 2]" 1
906 1 18 LEU HB2 1 18 LEU MD2 2.590 . 3.429 3.193 3.186 3.199 . 0 0 "[ . 1 . 2]" 1
907 1 18 LEU HB3 1 18 LEU MD2 2.381 . 3.090 2.383 2.359 2.407 . 0 0 "[ . 1 . 2]" 1
908 1 18 LEU MD1 1 18 LEU MD2 1.721 . 2.091 2.084 2.076 2.093 0.002 17 0 "[ . 1 . 2]" 1
909 1 18 LEU HA 1 18 LEU MD2 2.230 . 2.852 1.909 1.863 1.945 . 0 0 "[ . 1 . 2]" 1
910 1 50 PRO HB2 1 50 PRO HD3 2.927 . 3.998 3.927 3.890 4.058 0.060 1 0 "[ . 1 . 2]" 1
911 1 13 GLN HE21 1 50 PRO HB2 3.446 . 4.931 4.368 3.680 4.761 . 0 0 "[ . 1 . 2]" 1
912 1 50 PRO HB2 1 51 ILE H 3.125 . 4.346 3.853 3.672 3.935 . 0 0 "[ . 1 . 2]" 1
913 1 51 ILE MD 1 62 CYS HB2 2.446 . 3.194 1.970 1.858 2.109 . 0 0 "[ . 1 . 2]" 1
914 1 14 CYS HB2 1 51 ILE MD 2.611 . 3.463 2.264 2.086 2.418 . 0 0 "[ . 1 . 2]" 1
915 1 12 VAL HB 1 51 ILE MD 2.547 . 3.358 2.364 2.209 2.576 . 0 0 "[ . 1 . 2]" 1
916 1 51 ILE HB 1 51 ILE MD 2.337 . 3.020 2.452 2.426 2.474 . 0 0 "[ . 1 . 2]" 1
917 1 51 ILE MD 1 51 ILE HG13 2.119 . 2.681 2.116 2.111 2.118 . 0 0 "[ . 1 . 2]" 1
918 1 51 ILE MD 1 51 ILE HG12 1.859 . 2.291 2.117 2.115 2.119 . 0 0 "[ . 1 . 2]" 1
919 1 51 ILE H 1 51 ILE MD 3.216 . 4.509 3.545 3.498 3.604 . 0 0 "[ . 1 . 2]" 1
920 1 49 ASN HB2 1 50 PRO HD2 2.709 . 3.626 2.510 1.936 2.751 . 0 0 "[ . 1 . 2]" 1
921 1 50 PRO HD2 1 50 PRO HG2 2.219 . 2.834 2.319 2.248 2.332 . 0 0 "[ . 1 . 2]" 1
922 1 50 PRO HB2 1 50 PRO HD2 2.976 . 4.083 3.046 2.920 3.806 . 0 0 "[ . 1 . 2]" 1
923 1 49 ASN HA 1 50 PRO HD2 2.235 . 2.859 2.997 2.930 3.037 0.178 16 0 "[ . 1 . 2]" 1
924 1 12 VAL HA 1 68 CYS HA 3.054 . 4.219 3.638 3.200 3.919 . 0 0 "[ . 1 . 2]" 1
925 1 68 CYS HA 1 68 CYS HB3 2.389 . 3.102 2.848 2.402 3.034 . 0 0 "[ . 1 . 2]" 1
926 1 68 CYS HA 1 68 CYS HB2 2.499 . 3.279 2.578 2.399 3.025 . 0 0 "[ . 1 . 2]" 1
927 1 13 GLN HG2 1 68 CYS HA 3.033 . 4.183 3.225 2.042 3.735 . 0 0 "[ . 1 . 2]" 1
928 1 68 CYS HA 1 69 CYS H 2.093 . 2.641 2.171 2.130 2.268 . 0 0 "[ . 1 . 2]" 1
929 1 13 GLN H 1 68 CYS HA 2.839 . 3.846 3.456 3.021 3.704 . 0 0 "[ . 1 . 2]" 1
930 1 68 CYS HA 1 82 ASN H 3.306 . 4.672 4.602 4.454 4.700 0.028 3 0 "[ . 1 . 2]" 1
931 1 71 ASN QB 1 79 VAL HB 2.853 . 3.871 3.592 2.417 3.858 . 0 0 "[ . 1 . 2]" 1
932 1 79 VAL HB 1 80 GLN H 3.464 . 4.964 4.200 3.967 4.315 . 0 0 "[ . 1 . 2]" 1
933 1 71 ASN H 1 79 VAL HB 3.168 . 4.423 4.114 2.523 4.569 0.146 12 0 "[ . 1 . 2]" 1
934 1 71 ASN HD22 1 79 VAL HB 3.457 . 4.951 4.702 3.181 5.080 0.129 5 0 "[ . 1 . 2]" 1
935 1 73 TYR QE 1 79 VAL HB 2.689 . 3.593 3.303 2.963 3.729 0.136 2 0 "[ . 1 . 2]" 1
936 1 68 CYS HB3 1 84 ILE MD 3.131 . 4.356 3.170 1.978 4.088 . 0 0 "[ . 1 . 2]" 1
937 1 68 CYS HB3 1 69 CYS H 3.035 . 4.187 4.051 3.247 4.329 0.142 10 0 "[ . 1 . 2]" 1
938 1 68 CYS H 1 68 CYS HB3 2.835 . 3.840 2.856 2.468 3.763 . 0 0 "[ . 1 . 2]" 1
939 1 48 CYS H 1 76 GLY HA3 2.859 . 3.881 2.840 2.441 3.086 . 0 0 "[ . 1 . 2]" 1
940 1 76 GLY H 1 76 GLY HA3 2.521 . 3.316 2.931 2.916 2.937 . 0 0 "[ . 1 . 2]" 1
941 1 76 GLY HA3 1 77 LEU H 3.122 . 4.341 3.448 3.409 3.469 . 0 0 "[ . 1 . 2]" 1
942 1 69 CYS H 1 69 CYS QB 2.864 . 3.608 2.533 2.332 2.688 . 0 0 "[ . 1 . 2]" 1
943 1 69 CYS QB 1 70 ASP H 2.901 . 3.953 2.796 2.475 2.960 . 0 0 "[ . 1 . 2]" 1
944 1 69 CYS QB 1 71 ASN H 2.854 . 3.872 2.857 2.621 3.105 . 0 0 "[ . 1 . 2]" 1
945 1 68 CYS H 1 84 ILE HG13 3.315 . 4.689 4.554 3.985 4.789 0.100 15 0 "[ . 1 . 2]" 1
946 1 84 ILE H 1 84 ILE HG13 3.037 . 4.190 3.784 3.511 4.086 . 0 0 "[ . 1 . 2]" 1
947 1 49 ASN HA 1 50 PRO HD3 2.131 . 2.699 1.819 1.778 2.077 . 0 0 "[ . 1 . 2]" 1
948 1 48 CYS HB3 1 49 ASN HA 2.963 . 4.061 4.178 4.074 4.262 0.201 6 0 "[ . 1 . 2]" 1
949 1 49 ASN HA 1 49 ASN HB2 2.274 . 2.921 2.512 2.441 2.578 . 0 0 "[ . 1 . 2]" 1
950 1 49 ASN H 1 49 ASN HA 2.851 . 3.867 2.932 2.915 2.949 . 0 0 "[ . 1 . 2]" 1
951 1 16 ASN HB2 1 47 ASN HB3 2.366 . 3.066 1.909 1.818 2.070 . 0 0 "[ . 1 . 2]" 1
952 1 47 ASN H 1 47 ASN HB3 2.895 . 3.943 3.731 3.644 3.839 . 0 0 "[ . 1 . 2]" 1
953 1 11 PRO HG3 1 13 GLN HE22 3.300 . 4.662 3.991 3.588 4.718 0.056 20 0 "[ . 1 . 2]" 1
954 1 11 PRO HG3 1 13 GLN HE21 3.302 . 4.665 3.328 3.270 3.574 . 0 0 "[ . 1 . 2]" 1
955 1 67 ALA HA 1 67 ALA MB 2.033 . 2.550 2.127 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
956 1 67 ALA HA 1 84 ILE HG12 2.536 . 3.340 2.158 1.928 2.273 . 0 0 "[ . 1 . 2]" 1
957 1 67 ALA HA 1 84 ILE MD 2.485 . 3.257 3.241 3.124 3.288 0.031 9 0 "[ . 1 . 2]" 1
958 1 67 ALA HA 1 68 CYS H 2.229 . 2.850 2.273 2.207 2.425 . 0 0 "[ . 1 . 2]" 1
959 1 14 CYS HA 1 66 PRO HA 2.351 . 3.042 2.361 1.967 2.627 . 0 0 "[ . 1 . 2]" 1
960 1 67 ALA HA 1 83 PRO HA 2.579 . 3.410 2.603 2.328 3.026 . 0 0 "[ . 1 . 2]" 1
961 1 30 ILE HA 1 33 LEU HB3 3.495 . 5.022 4.977 4.878 5.131 0.109 17 0 "[ . 1 . 2]" 1
962 1 43 PRO HA 1 44 VAL H 2.014 . 2.521 2.214 2.191 2.234 . 0 0 "[ . 1 . 2]" 1
963 1 18 LEU MD2 1 83 PRO HG3 3.571 . 5.165 4.172 3.946 4.353 . 0 0 "[ . 1 . 2]" 1
964 1 32 GLN HE21 1 32 GLN HG3 3.102 . 4.305 3.703 3.476 4.065 . 0 0 "[ . 1 . 2]" 1
965 1 6 GLN H 1 6 GLN HB2 3.559 . 5.142 2.473 2.261 2.601 . 0 0 "[ . 1 . 2]" 1
966 1 39 GLY HA2 1 40 ALA H 2.290 . 2.945 2.761 2.601 3.095 0.150 10 0 "[ . 1 . 2]" 1
967 1 71 ASN HA 1 72 VAL H 2.168 . 2.755 2.245 2.196 2.352 . 0 0 "[ . 1 . 2]" 1
968 1 32 GLN H 1 32 GLN HB2 1.920 . 2.381 2.358 2.263 2.441 0.060 9 0 "[ . 1 . 2]" 1
969 1 23 ASN HB2 1 26 ALA H 2.943 . 4.025 4.105 4.076 4.130 0.105 14 0 "[ . 1 . 2]" 1
970 1 56 ALA H 1 56 ALA MB 2.579 . 3.411 2.515 2.232 2.894 . 0 0 "[ . 1 . 2]" 1
971 1 73 TYR H 1 73 TYR HB2 2.480 . 3.249 2.511 2.377 2.607 . 0 0 "[ . 1 . 2]" 1
972 1 73 TYR H 1 73 TYR HB3 2.840 . 3.848 3.693 3.605 3.761 . 0 0 "[ . 1 . 2]" 1
973 1 44 VAL HB 1 78 GLY H 3.511 . 5.052 3.762 3.492 3.953 . 0 0 "[ . 1 . 2]" 1
974 1 77 LEU HB3 1 78 GLY H 3.461 . 4.958 4.247 4.157 4.318 . 0 0 "[ . 1 . 2]" 1
975 1 77 LEU HB2 1 78 GLY H 3.209 . 4.497 4.317 4.253 4.368 . 0 0 "[ . 1 . 2]" 1
976 1 77 LEU MD2 1 78 GLY H 2.524 . 3.320 2.144 1.989 2.285 . 0 0 "[ . 1 . 2]" 1
977 1 77 LEU MD1 1 78 GLY H 3.159 . 4.406 3.021 2.813 3.163 . 0 0 "[ . 1 . 2]" 1
978 1 78 GLY H 1 78 GLY HA3 2.533 . 3.335 2.420 2.387 2.461 . 0 0 "[ . 1 . 2]" 1
979 1 78 GLY H 1 78 GLY HA2 2.805 . 3.789 2.945 2.937 2.953 . 0 0 "[ . 1 . 2]" 1
980 1 64 ALA MB 1 65 ASN HD21 3.288 . 4.640 3.084 2.885 3.352 . 0 0 "[ . 1 . 2]" 1
981 1 6 GLN HA 1 7 CYS H 2.446 . 3.194 2.387 2.122 2.488 . 0 0 "[ . 1 . 2]" 1
982 1 7 CYS H 1 7 CYS QB 2.870 . 3.384 3.109 2.962 3.373 . 0 0 "[ . 1 . 2]" 1
983 1 6 GLN HG3 1 7 CYS H 3.422 . 4.886 4.520 3.741 4.960 0.074 19 0 "[ . 1 . 2]" 1
984 1 6 GLN HB2 1 7 CYS H 3.077 . 4.261 3.562 3.351 4.158 . 0 0 "[ . 1 . 2]" 1
985 1 6 GLN HB3 1 7 CYS H 3.114 . 4.326 2.406 2.206 3.016 . 0 0 "[ . 1 . 2]" 1
986 1 7 CYS H 1 12 VAL QG 3.284 . 4.632 4.137 3.805 4.727 0.095 7 0 "[ . 1 . 2]" 1
987 1 7 CYS H 1 7 CYS HA 2.734 . 3.669 2.249 2.234 2.263 . 0 0 "[ . 1 . 2]" 1
988 1 11 PRO HB3 1 12 VAL H 2.883 . 3.922 3.555 3.434 3.685 . 0 0 "[ . 1 . 2]" 1
989 1 11 PRO HB2 1 12 VAL H 2.191 . 2.791 2.593 2.255 2.785 . 0 0 "[ . 1 . 2]" 1
990 1 11 PRO HG2 1 12 VAL H 3.081 . 4.267 4.283 3.996 4.376 0.109 12 0 "[ . 1 . 2]" 1
991 1 12 VAL H 1 52 THR MG 3.480 . 4.994 4.346 4.052 4.530 . 0 0 "[ . 1 . 2]" 1
992 1 32 GLN HE21 1 32 GLN HG2 2.841 . 3.850 3.746 3.476 4.058 0.208 17 0 "[ . 1 . 2]" 1
993 1 46 ILE HB 1 47 ASN H 3.495 . 5.022 4.373 4.331 4.408 . 0 0 "[ . 1 . 2]" 1
994 1 29 LEU MD1 1 47 ASN H 3.132 . 4.358 2.866 2.610 3.018 . 0 0 "[ . 1 . 2]" 1
995 1 39 GLY H 1 42 VAL MG1 3.015 . 4.151 3.552 3.264 3.655 . 0 0 "[ . 1 . 2]" 1
996 1 39 GLY H 1 42 VAL HB 3.369 . 4.788 3.358 3.164 3.479 . 0 0 "[ . 1 . 2]" 1
997 1 34 GLY H 1 34 GLY HA2 2.300 . 2.961 2.310 2.299 2.320 . 0 0 "[ . 1 . 2]" 1
998 1 32 GLN HB2 1 34 GLY H 3.493 . 5.018 4.742 4.600 4.841 . 0 0 "[ . 1 . 2]" 1
999 1 33 LEU HB2 1 34 GLY H 2.832 . 3.835 2.990 2.873 3.097 . 0 0 "[ . 1 . 2]" 1
1000 1 33 LEU HB3 1 34 GLY H 3.270 . 4.606 4.147 4.073 4.209 . 0 0 "[ . 1 . 2]" 1
1001 1 30 ILE MG 1 34 GLY H 3.635 . 5.287 4.107 4.045 4.164 . 0 0 "[ . 1 . 2]" 1
1002 1 34 GLY H 1 35 LEU QD 3.486 . 5.005 4.419 3.096 4.583 . 0 0 "[ . 1 . 2]" 1
1003 1 34 GLY H 1 35 LEU HB2 3.323 . 4.703 4.358 4.274 4.447 . 0 0 "[ . 1 . 2]" 1
1004 1 33 LEU H 1 34 GLY H 2.371 . 3.073 2.321 2.172 2.422 . 0 0 "[ . 1 . 2]" 1
1005 1 34 GLY H 1 35 LEU H 2.426 . 3.162 2.401 2.335 2.482 . 0 0 "[ . 1 . 2]" 1
1006 1 47 ASN HB3 1 47 ASN HD22 3.619 . 5.257 3.022 2.155 3.526 . 0 0 "[ . 1 . 2]" 1
1007 1 46 ILE MG 1 47 ASN HD22 3.416 . 4.874 4.160 3.696 4.662 . 0 0 "[ . 1 . 2]" 1
1008 1 69 CYS QB 1 81 CYS H 3.587 . 5.195 4.517 4.087 4.808 . 0 0 "[ . 1 . 2]" 1
1009 1 79 VAL HA 1 81 CYS H 3.275 . 4.616 3.938 3.748 4.153 . 0 0 "[ . 1 . 2]" 1
1010 1 80 GLN QB 1 81 CYS H 3.628 . 5.273 3.879 3.866 3.896 . 0 0 "[ . 1 . 2]" 1
1011 1 81 CYS H 1 81 CYS HB2 2.607 . 3.456 2.427 2.333 2.523 . 0 0 "[ . 1 . 2]" 1
1012 1 44 VAL MG1 1 81 CYS H 3.232 . 4.538 4.184 4.084 4.284 . 0 0 "[ . 1 . 2]" 1
1013 1 44 VAL HA 1 81 CYS H 3.337 . 4.729 2.790 2.615 2.972 . 0 0 "[ . 1 . 2]" 1
1014 1 23 ASN H 1 23 ASN HA 2.524 . 3.320 2.861 2.839 2.893 . 0 0 "[ . 1 . 2]" 1
1015 1 22 SER QB 1 23 ASN H 2.970 . 4.073 3.232 2.994 3.721 . 0 0 "[ . 1 . 2]" 1
1016 1 21 ALA HA 1 23 ASN H 3.115 . 4.328 3.387 3.217 3.532 . 0 0 "[ . 1 . 2]" 1
1017 1 23 ASN H 1 26 ALA MB 2.659 . 3.543 3.051 2.878 3.181 . 0 0 "[ . 1 . 2]" 1
1018 1 19 THR MG 1 23 ASN H 3.106 . 4.312 4.056 3.944 4.165 . 0 0 "[ . 1 . 2]" 1
1019 1 23 ASN H 1 27 ALA H 3.456 . 4.949 4.311 4.107 4.574 . 0 0 "[ . 1 . 2]" 1
1020 1 20 SER HB2 1 21 ALA H 2.516 . 3.307 3.250 2.409 3.697 0.390 10 0 "[ . 1 . 2]" 1
1021 1 21 ALA H 1 42 VAL HB 3.239 . 4.551 3.534 3.467 3.580 . 0 0 "[ . 1 . 2]" 1
1022 1 21 ALA H 1 22 SER H 2.665 . 3.553 2.714 2.633 2.792 . 0 0 "[ . 1 . 2]" 1
1023 1 21 ALA H 1 42 VAL H 3.186 . 4.455 3.498 3.208 3.831 . 0 0 "[ . 1 . 2]" 1
1024 1 21 ALA H 1 43 PRO HA 3.138 . 4.369 4.048 3.887 4.263 . 0 0 "[ . 1 . 2]" 1
1025 1 21 ALA H 1 44 VAL H 3.265 . 4.597 4.454 4.351 4.606 0.009 15 0 "[ . 1 . 2]" 1
1026 1 43 PRO HD3 1 80 GLN HE22 3.602 . 5.224 3.752 2.724 4.096 . 0 0 "[ . 1 . 2]" 1
1027 1 80 GLN QB 1 80 GLN HE22 3.317 . 4.692 3.958 3.427 3.998 . 0 0 "[ . 1 . 2]" 1
1028 1 42 VAL MG2 1 80 GLN HE22 3.638 . 5.293 3.154 2.800 3.594 . 0 0 "[ . 1 . 2]" 1
1029 1 86 VAL H 1 86 VAL HA 2.721 . 3.647 2.932 2.920 2.938 . 0 0 "[ . 1 . 2]" 1
1030 1 85 ASN HB2 1 86 VAL H 3.342 . 4.738 4.434 4.272 4.619 . 0 0 "[ . 1 . 2]" 1
1031 1 85 ASN HB3 1 86 VAL H 3.385 . 4.817 4.422 4.338 4.505 . 0 0 "[ . 1 . 2]" 1
1032 1 86 VAL H 1 86 VAL HB 2.871 . 3.902 3.761 3.735 3.788 . 0 0 "[ . 1 . 2]" 1
1033 1 86 VAL H 1 86 VAL MG2 2.435 . 3.176 2.144 2.075 2.209 . 0 0 "[ . 1 . 2]" 1
1034 1 86 VAL H 1 87 ASN H 2.686 . 3.588 3.690 3.669 3.723 0.135 13 0 "[ . 1 . 2]" 1
1035 1 32 GLN HE22 1 32 GLN HG3 3.668 . 5.349 2.719 2.216 3.492 . 0 0 "[ . 1 . 2]" 1
1036 1 46 ILE MG 1 47 ASN HD21 3.675 . 5.363 5.365 5.027 5.550 0.187 11 0 "[ . 1 . 2]" 1
1037 1 71 ASN H 1 71 ASN HA 2.924 . 3.993 2.914 2.894 2.935 . 0 0 "[ . 1 . 2]" 1
1038 1 70 ASP HB2 1 71 ASN H 2.753 . 3.701 3.737 3.641 3.818 0.117 5 0 "[ . 1 . 2]" 1
1039 1 70 ASP HB3 1 71 ASN H 2.625 . 3.486 2.468 2.281 2.633 . 0 0 "[ . 1 . 2]" 1
1040 1 71 ASN H 1 72 VAL QG 3.498 . 5.027 3.842 3.667 4.054 . 0 0 "[ . 1 . 2]" 1
1041 1 69 CYS HA 1 71 ASN H 3.431 . 4.903 4.245 4.149 4.550 . 0 0 "[ . 1 . 2]" 1
1042 1 71 ASN H 1 79 VAL H 2.851 . 3.867 2.960 2.840 3.103 . 0 0 "[ . 1 . 2]" 1
1043 1 70 ASP H 1 70 ASP HB2 2.415 . 3.144 2.508 2.354 2.609 . 0 0 "[ . 1 . 2]" 1
1044 1 70 ASP H 1 70 ASP HB3 2.355 . 3.048 2.542 2.368 2.695 . 0 0 "[ . 1 . 2]" 1
1045 1 70 ASP H 1 71 ASN H 2.501 . 3.283 2.527 2.347 2.662 . 0 0 "[ . 1 . 2]" 1
1046 1 75 ASN H 1 75 ASN HA 2.660 . 3.544 2.855 2.823 2.896 . 0 0 "[ . 1 . 2]" 1
1047 1 74 THR HB 1 75 ASN H 3.353 . 4.758 3.528 2.998 4.125 . 0 0 "[ . 1 . 2]" 1
1048 1 75 ASN H 1 75 ASN HB3 2.935 . 4.012 2.585 2.527 2.690 . 0 0 "[ . 1 . 2]" 1
1049 1 73 TYR HB2 1 75 ASN H 3.045 . 4.204 3.410 3.279 3.563 . 0 0 "[ . 1 . 2]" 1
1050 1 75 ASN H 1 75 ASN HB2 2.849 . 3.864 3.574 2.477 3.650 . 0 0 "[ . 1 . 2]" 1
1051 1 74 THR MG 1 75 ASN H 3.390 . 4.826 4.145 3.961 4.343 . 0 0 "[ . 1 . 2]" 1
1052 1 33 LEU MD2 1 75 ASN H 3.148 . 4.387 3.390 3.232 3.484 . 0 0 "[ . 1 . 2]" 1
1053 1 33 LEU MD1 1 75 ASN H 3.506 . 5.042 4.608 4.128 4.806 . 0 0 "[ . 1 . 2]" 1
1054 1 74 THR H 1 75 ASN H 3.317 . 4.692 2.653 2.606 2.709 . 0 0 "[ . 1 . 2]" 1
1055 1 10 GLY H 1 10 GLY HA3 2.781 . 3.748 2.864 2.749 2.908 . 0 0 "[ . 1 . 2]" 1
1056 1 10 GLY H 1 10 GLY HA2 2.657 . 3.540 2.726 2.661 2.856 . 0 0 "[ . 1 . 2]" 1
1057 1 9 ALA H 1 10 GLY H 2.876 . 3.910 2.492 2.383 2.699 . 0 0 "[ . 1 . 2]" 1
1058 1 28 GLY HA3 1 29 LEU H 2.544 . 3.353 2.683 2.571 2.812 . 0 0 "[ . 1 . 2]" 1
1059 1 29 LEU H 1 29 LEU HB2 2.440 . 3.184 2.423 2.372 2.455 . 0 0 "[ . 1 . 2]" 1
1060 1 29 LEU H 1 29 LEU HG 2.350 . 3.040 2.216 2.116 2.354 . 0 0 "[ . 1 . 2]" 1
1061 1 29 LEU H 1 29 LEU HB3 2.778 . 3.743 3.536 3.525 3.550 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ALA H 1 29 LEU H 3.516 . 5.061 4.328 4.178 4.489 . 0 0 "[ . 1 . 2]" 1
1063 1 29 LEU H 1 31 GLN H 3.296 . 4.654 4.160 4.005 4.266 . 0 0 "[ . 1 . 2]" 1
1064 1 71 ASN H 1 72 VAL H 3.560 . 5.144 4.230 4.111 4.326 . 0 0 "[ . 1 . 2]" 1
1065 1 72 VAL H 1 73 TYR QD 3.623 . 5.264 4.860 4.629 5.127 . 0 0 "[ . 1 . 2]" 1
1066 1 72 VAL H 1 73 TYR H 3.595 . 5.211 4.381 4.202 4.471 . 0 0 "[ . 1 . 2]" 1
1067 1 43 PRO HD3 1 80 GLN HE21 3.326 . 4.709 2.987 2.858 3.198 . 0 0 "[ . 1 . 2]" 1
1068 1 80 GLN QB 1 80 GLN HE21 3.165 . 4.417 4.297 3.899 4.344 . 0 0 "[ . 1 . 2]" 1
1069 1 86 VAL HA 1 87 ASN H 2.366 . 3.065 2.189 2.153 2.221 . 0 0 "[ . 1 . 2]" 1
1070 1 87 ASN H 1 87 ASN HB2 3.037 . 4.190 3.371 3.096 3.648 . 0 0 "[ . 1 . 2]" 1
1071 1 86 VAL HB 1 87 ASN H 3.248 . 4.567 3.987 3.878 4.028 . 0 0 "[ . 1 . 2]" 1
1072 1 86 VAL MG2 1 87 ASN H 3.023 . 4.165 4.221 4.204 4.263 0.098 15 0 "[ . 1 . 2]" 1
1073 1 23 ASN HA 1 23 ASN HD21 3.428 . 4.897 3.799 3.689 3.857 . 0 0 "[ . 1 . 2]" 1
1074 1 23 ASN HB2 1 23 ASN HD21 3.132 . 4.358 3.481 3.468 3.502 . 0 0 "[ . 1 . 2]" 1
1075 1 23 ASN HB3 1 23 ASN HD21 3.464 . 4.964 4.041 4.026 4.058 . 0 0 "[ . 1 . 2]" 1
1076 1 22 SER H 1 40 ALA HA 2.413 . 3.141 3.157 3.113 3.205 0.064 15 0 "[ . 1 . 2]" 1
1077 1 21 ALA MB 1 22 SER H 2.608 . 3.458 3.245 3.044 3.367 . 0 0 "[ . 1 . 2]" 1
1078 1 48 CYS H 1 76 GLY HA2 3.024 . 4.167 2.810 2.478 3.105 . 0 0 "[ . 1 . 2]" 1
1079 1 48 CYS H 1 48 CYS HB2 2.405 . 3.128 2.441 2.291 2.518 . 0 0 "[ . 1 . 2]" 1
1080 1 48 CYS H 1 72 VAL QG 3.368 . 4.786 4.225 3.538 4.655 . 0 0 "[ . 1 . 2]" 1
1081 1 48 CYS H 1 49 ASN H 3.545 . 5.116 4.466 4.377 4.509 . 0 0 "[ . 1 . 2]" 1
1082 1 47 ASN H 1 48 CYS H 2.596 . 3.438 2.883 2.797 3.030 . 0 0 "[ . 1 . 2]" 1
1083 1 15 CYS HA 1 48 CYS H 3.406 . 4.856 4.022 3.817 4.138 . 0 0 "[ . 1 . 2]" 1
1084 1 46 ILE H 1 46 ILE HA 2.874 . 3.907 2.904 2.877 2.915 . 0 0 "[ . 1 . 2]" 1
1085 1 16 ASN HB3 1 46 ILE H 3.663 . 5.340 5.070 4.843 5.325 . 0 0 "[ . 1 . 2]" 1
1086 1 46 ILE H 1 46 ILE HB 2.528 . 3.327 2.304 2.241 2.354 . 0 0 "[ . 1 . 2]" 1
1087 1 17 THR MG 1 46 ILE H 3.558 . 5.141 4.136 3.998 4.226 . 0 0 "[ . 1 . 2]" 1
1088 1 46 ILE H 1 46 ILE MG 2.775 . 3.738 3.675 3.639 3.703 . 0 0 "[ . 1 . 2]" 1
1089 1 46 ILE H 1 46 ILE MD 3.025 . 4.169 2.269 2.182 2.369 . 0 0 "[ . 1 . 2]" 1
1090 1 17 THR H 1 46 ILE H 2.721 . 3.646 3.066 2.966 3.191 . 0 0 "[ . 1 . 2]" 1
1091 1 15 CYS HA 1 46 ILE H 3.370 . 4.790 4.837 4.791 4.886 0.096 4 0 "[ . 1 . 2]" 1
1092 1 45 GLY H 1 46 ILE H 3.618 . 5.254 4.300 4.243 4.349 . 0 0 "[ . 1 . 2]" 1
1093 1 50 PRO HA 1 51 ILE H 2.045 . 2.568 2.145 2.125 2.170 . 0 0 "[ . 1 . 2]" 1
1094 1 50 PRO HB3 1 51 ILE H 3.064 . 4.238 3.765 3.554 4.100 . 0 0 "[ . 1 . 2]" 1
1095 1 12 VAL HB 1 51 ILE H 2.984 . 4.097 3.748 3.599 3.951 . 0 0 "[ . 1 . 2]" 1
1096 1 51 ILE H 1 51 ILE HB 2.339 . 3.023 2.841 2.768 2.884 . 0 0 "[ . 1 . 2]" 1
1097 1 51 ILE H 1 51 ILE HG13 2.636 . 3.505 1.833 1.766 1.918 0.001 5 0 "[ . 1 . 2]" 1
1098 1 51 ILE H 1 51 ILE HG12 2.832 . 3.835 2.859 2.788 2.950 . 0 0 "[ . 1 . 2]" 1
1099 1 51 ILE H 1 51 ILE MG 2.903 . 3.956 3.750 3.723 3.770 . 0 0 "[ . 1 . 2]" 1
1100 1 12 VAL H 1 51 ILE H 3.711 . 5.433 4.343 4.099 4.521 . 0 0 "[ . 1 . 2]" 1
1101 1 25 GLN HA 1 28 GLY H 3.188 . 4.458 4.038 3.853 4.182 . 0 0 "[ . 1 . 2]" 1
1102 1 28 GLY H 1 29 LEU HB2 3.437 . 4.913 4.792 4.744 4.844 . 0 0 "[ . 1 . 2]" 1
1103 1 28 GLY H 1 29 LEU HG 3.557 . 5.138 4.469 4.369 4.580 . 0 0 "[ . 1 . 2]" 1
1104 1 28 GLY H 1 29 LEU H 2.541 . 3.348 2.748 2.675 2.824 . 0 0 "[ . 1 . 2]" 1
1105 1 27 ALA H 1 28 GLY H 2.728 . 3.658 2.729 2.690 2.766 . 0 0 "[ . 1 . 2]" 1
1106 1 55 GLY HA3 1 56 ALA H 2.975 . 4.081 2.832 2.129 3.546 . 0 0 "[ . 1 . 2]" 1
1107 1 55 GLY HA2 1 56 ALA H 3.171 . 4.428 2.983 2.133 3.561 . 0 0 "[ . 1 . 2]" 1
1108 1 55 GLY H 1 56 ALA H 3.517 . 5.063 3.327 1.965 4.503 0.006 14 0 "[ . 1 . 2]" 1
1109 1 15 CYS H 1 65 ASN QB 3.175 . 4.435 3.502 3.244 3.757 . 0 0 "[ . 1 . 2]" 1
1110 1 15 CYS H 1 15 CYS HB2 2.432 . 3.171 2.550 2.401 2.645 . 0 0 "[ . 1 . 2]" 1
1111 1 15 CYS H 1 64 ALA MB 3.561 . 5.146 4.054 3.773 4.309 . 0 0 "[ . 1 . 2]" 1
1112 1 15 CYS H 1 65 ASN H 3.009 . 4.141 3.275 3.023 3.544 . 0 0 "[ . 1 . 2]" 1
1113 1 15 CYS H 1 15 CYS HA 2.749 . 3.693 2.933 2.913 2.948 . 0 0 "[ . 1 . 2]" 1
1114 1 15 CYS H 1 48 CYS HA 3.176 . 4.437 4.115 3.946 4.253 . 0 0 "[ . 1 . 2]" 1
1115 1 69 CYS QB 1 82 ASN H 3.544 . 5.114 4.936 4.855 4.997 . 0 0 "[ . 1 . 2]" 1
1116 1 82 ASN H 1 82 ASN HB3 2.725 . 3.653 3.124 2.975 3.786 0.133 7 0 "[ . 1 . 2]" 1
1117 1 81 CYS HB3 1 82 ASN H 3.148 . 4.387 3.538 3.328 3.750 . 0 0 "[ . 1 . 2]" 1
1118 1 68 CYS H 1 82 ASN H 2.744 . 3.685 2.786 2.396 3.019 . 0 0 "[ . 1 . 2]" 1
1119 1 82 ASN H 1 82 ASN HD21 3.470 . 4.975 3.603 3.073 4.585 . 0 0 "[ . 1 . 2]" 1
1120 1 67 ALA HA 1 82 ASN H 3.714 . 5.438 4.436 4.140 4.660 . 0 0 "[ . 1 . 2]" 1
1121 1 60 SER H 1 60 SER HA 2.990 . 4.108 2.881 2.775 2.949 . 0 0 "[ . 1 . 2]" 1
1122 1 60 SER H 1 60 SER QB 2.880 . 3.917 2.649 2.280 2.980 . 0 0 "[ . 1 . 2]" 1
1123 1 45 GLY H 1 77 LEU HA 3.679 . 5.371 4.343 4.169 4.566 . 0 0 "[ . 1 . 2]" 1
1124 1 45 GLY H 1 79 VAL HA 3.522 . 5.073 4.086 3.963 4.294 . 0 0 "[ . 1 . 2]" 1
1125 1 44 VAL HB 1 45 GLY H 2.275 . 2.922 2.447 2.217 2.631 . 0 0 "[ . 1 . 2]" 1
1126 1 45 GLY H 1 81 CYS HB2 3.674 . 5.362 3.473 3.252 3.764 . 0 0 "[ . 1 . 2]" 1
1127 1 45 GLY H 1 77 LEU MD2 2.562 . 3.383 3.080 2.917 3.323 . 0 0 "[ . 1 . 2]" 1
1128 1 45 GLY H 1 77 LEU MD1 3.311 . 4.682 4.093 3.881 4.265 . 0 0 "[ . 1 . 2]" 1
1129 1 75 ASN HA 1 75 ASN HD22 3.596 . 5.212 4.527 4.462 4.548 . 0 0 "[ . 1 . 2]" 1
1130 1 29 LEU HB2 1 75 ASN HD22 2.967 . 4.067 4.147 4.087 4.204 0.137 6 0 "[ . 1 . 2]" 1
1131 1 33 LEU HG 1 75 ASN HD22 2.843 . 3.853 3.758 2.681 3.873 0.020 14 0 "[ . 1 . 2]" 1
1132 1 29 LEU HB3 1 75 ASN HD22 3.143 . 4.378 2.515 2.450 2.567 . 0 0 "[ . 1 . 2]" 1
1133 1 29 LEU MD2 1 75 ASN HD22 2.829 . 3.829 1.936 1.826 2.758 0.003 17 0 "[ . 1 . 2]" 1
1134 1 61 SER H 1 61 SER HB2 2.693 . 3.599 3.103 2.398 3.980 0.381 1 0 "[ . 1 . 2]" 1
1135 1 61 SER H 1 62 CYS H 3.345 . 4.744 4.442 4.102 4.561 . 0 0 "[ . 1 . 2]" 1
1136 1 27 ALA HA 1 30 ILE H 2.782 . 3.749 3.144 3.100 3.204 . 0 0 "[ . 1 . 2]" 1
1137 1 29 LEU HB2 1 30 ILE H 2.531 . 3.332 2.257 2.196 2.301 . 0 0 "[ . 1 . 2]" 1
1138 1 30 ILE H 1 30 ILE HB 2.062 . 2.593 2.476 2.443 2.528 . 0 0 "[ . 1 . 2]" 1
1139 1 30 ILE H 1 30 ILE MD 2.560 . 3.379 3.453 3.432 3.473 0.094 16 0 "[ . 1 . 2]" 1
1140 1 30 ILE H 1 30 ILE QG 2.764 . 3.719 1.998 1.942 2.048 . 0 0 "[ . 1 . 2]" 1
1141 1 30 ILE H 1 31 GLN H 2.375 . 3.080 2.847 2.819 2.879 . 0 0 "[ . 1 . 2]" 1
1142 1 28 GLY H 1 30 ILE H 3.213 . 4.503 4.163 4.096 4.218 . 0 0 "[ . 1 . 2]" 1
1143 1 29 LEU H 1 30 ILE H 2.431 . 3.170 2.661 2.500 2.787 . 0 0 "[ . 1 . 2]" 1
1144 1 35 LEU H 1 35 LEU HB2 2.250 . 2.883 2.237 2.199 2.299 . 0 0 "[ . 1 . 2]" 1
1145 1 17 THR HB 1 18 LEU H 3.393 . 4.832 4.314 4.267 4.365 . 0 0 "[ . 1 . 2]" 1
1146 1 18 LEU H 1 18 LEU HB2 2.642 . 3.515 2.430 2.393 2.463 . 0 0 "[ . 1 . 2]" 1
1147 1 18 LEU H 1 18 LEU HB3 2.992 . 4.111 3.645 3.623 3.664 . 0 0 "[ . 1 . 2]" 1
1148 1 18 LEU H 1 18 LEU HG 2.933 . 4.008 2.916 2.802 3.028 . 0 0 "[ . 1 . 2]" 1
1149 1 18 LEU H 1 19 THR MG 3.594 . 5.209 4.503 4.421 4.612 . 0 0 "[ . 1 . 2]" 1
1150 1 18 LEU H 1 18 LEU MD1 3.438 . 4.915 3.957 3.898 4.043 . 0 0 "[ . 1 . 2]" 1
1151 1 18 LEU H 1 18 LEU MD2 3.513 . 5.055 3.723 3.639 3.781 . 0 0 "[ . 1 . 2]" 1
1152 1 18 LEU H 1 65 ASN HD21 3.639 . 5.294 3.820 3.375 4.227 . 0 0 "[ . 1 . 2]" 1
1153 1 13 GLN H 1 13 GLN HA 2.907 . 3.964 2.947 2.941 2.951 . 0 0 "[ . 1 . 2]" 1
1154 1 13 GLN H 1 13 GLN HG2 2.757 . 3.707 2.551 2.097 2.756 . 0 0 "[ . 1 . 2]" 1
1155 1 12 VAL HB 1 13 GLN H 3.108 . 4.316 3.163 3.011 3.397 . 0 0 "[ . 1 . 2]" 1
1156 1 13 GLN H 1 13 GLN HB2 2.603 . 3.450 2.746 2.623 3.001 . 0 0 "[ . 1 . 2]" 1
1157 1 12 VAL QG 1 13 GLN H 2.715 . 3.636 3.439 3.397 3.518 . 0 0 "[ . 1 . 2]" 1
1158 1 79 VAL H 1 79 VAL QG 2.351 . 3.042 2.219 2.137 2.438 . 0 0 "[ . 1 . 2]" 1
1159 1 13 GLN H 1 51 ILE MD 3.518 . 5.065 3.813 3.628 4.110 . 0 0 "[ . 1 . 2]" 1
1160 1 13 GLN H 1 67 ALA H 2.867 . 3.895 3.014 2.833 3.236 . 0 0 "[ . 1 . 2]" 1
1161 1 88 LEU H 1 88 LEU HB2 2.626 . 3.488 2.933 2.170 3.596 0.108 11 0 "[ . 1 . 2]" 1
1162 1 35 LEU HA 1 36 SER H 2.211 . 2.822 2.158 2.123 2.200 . 0 0 "[ . 1 . 2]" 1
1163 1 36 SER H 1 36 SER HB2 2.564 . 3.385 2.932 2.456 3.632 0.247 17 0 "[ . 1 . 2]" 1
1164 1 35 LEU QD 1 36 SER H 3.057 . 4.225 3.445 3.296 3.556 . 0 0 "[ . 1 . 2]" 1
1165 1 36 SER H 1 36 SER HA 2.847 . 3.861 2.915 2.882 2.933 . 0 0 "[ . 1 . 2]" 1
1166 1 35 LEU HB3 1 36 SER H 3.481 . 4.996 3.772 3.566 3.910 . 0 0 "[ . 1 . 2]" 1
1167 1 68 CYS H 1 84 ILE HG12 3.414 . 4.871 3.331 3.132 3.532 . 0 0 "[ . 1 . 2]" 1
1168 1 68 CYS H 1 84 ILE MD 3.141 . 4.374 2.959 2.626 3.149 . 0 0 "[ . 1 . 2]" 1
1169 1 68 CYS H 1 81 CYS HA 3.627 . 5.271 3.929 3.533 4.300 . 0 0 "[ . 1 . 2]" 1
1170 1 58 SER HA 1 59 GLY H 3.130 . 4.354 3.426 3.200 3.563 . 0 0 "[ . 1 . 2]" 1
1171 1 6 GLN H 1 6 GLN HA 2.904 . 3.958 2.900 2.830 2.927 . 0 0 "[ . 1 . 2]" 1
1172 1 5 SER QB 1 6 GLN H 3.007 . 4.138 3.072 2.389 3.647 . 0 0 "[ . 1 . 2]" 1
1173 1 6 GLN H 1 6 GLN HG3 2.915 . 3.977 3.820 3.554 3.989 0.012 18 0 "[ . 1 . 2]" 1
1174 1 6 GLN H 1 12 VAL QG 3.528 . 5.084 2.514 2.005 3.021 . 0 0 "[ . 1 . 2]" 1
1175 1 64 ALA H 1 64 ALA HA 2.924 . 3.992 2.928 2.903 2.944 . 0 0 "[ . 1 . 2]" 1
1176 1 63 ASN QB 1 64 ALA H 3.193 . 4.467 3.118 2.365 3.719 . 0 0 "[ . 1 . 2]" 1
1177 1 63 ASN HA 1 64 ALA H 2.799 . 3.779 3.474 3.402 3.564 . 0 0 "[ . 1 . 2]" 1
1178 1 63 ASN H 1 64 ALA H 3.178 . 4.441 2.580 2.295 2.796 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ALA H 1 65 ASN H 3.282 . 4.628 3.096 2.925 3.355 . 0 0 "[ . 1 . 2]" 1
1180 1 61 SER HA 1 62 CYS H 2.853 . 3.870 2.298 2.134 2.570 . 0 0 "[ . 1 . 2]" 1
1181 1 61 SER HB2 1 62 CYS H 3.300 . 4.661 3.464 2.132 4.255 . 0 0 "[ . 1 . 2]" 1
1182 1 77 LEU H 1 77 LEU HA 2.912 . 3.972 2.928 2.918 2.933 . 0 0 "[ . 1 . 2]" 1
1183 1 76 GLY HA2 1 77 LEU H 3.184 . 4.451 3.157 3.128 3.202 . 0 0 "[ . 1 . 2]" 1
1184 1 73 TYR HB3 1 77 LEU H 3.460 . 4.957 4.398 4.276 4.523 . 0 0 "[ . 1 . 2]" 1
1185 1 77 LEU H 1 77 LEU HB3 2.434 . 3.175 2.463 2.447 2.480 . 0 0 "[ . 1 . 2]" 1
1186 1 77 LEU H 1 77 LEU HB2 2.527 . 3.326 2.723 2.674 2.760 . 0 0 "[ . 1 . 2]" 1
1187 1 29 LEU MD1 1 77 LEU H 3.170 . 4.426 3.632 3.551 3.726 . 0 0 "[ . 1 . 2]" 1
1188 1 77 LEU H 1 78 GLY H 3.687 . 5.387 4.401 4.334 4.468 . 0 0 "[ . 1 . 2]" 1
1189 1 16 ASN H 1 16 ASN HB2 2.389 . 3.102 2.361 2.317 2.427 . 0 0 "[ . 1 . 2]" 1
1190 1 16 ASN H 1 47 ASN HB3 2.516 . 3.307 2.325 2.131 2.622 . 0 0 "[ . 1 . 2]" 1
1191 1 16 ASN H 1 64 ALA MB 3.362 . 4.775 4.044 3.917 4.210 . 0 0 "[ . 1 . 2]" 1
1192 1 16 ASN H 1 17 THR H 2.494 . 3.272 2.540 2.382 2.699 . 0 0 "[ . 1 . 2]" 1
1193 1 16 ASN H 1 46 ILE H 3.555 . 5.135 4.463 4.371 4.581 . 0 0 "[ . 1 . 2]" 1
1194 1 8 ASN H 1 8 ASN HB3 2.938 . 4.017 3.285 2.447 3.661 . 0 0 "[ . 1 . 2]" 1
1195 1 13 GLN HG3 1 69 CYS H 3.661 . 5.337 3.353 2.384 4.161 . 0 0 "[ . 1 . 2]" 1
1196 1 54 ILE HA 1 55 GLY H 2.522 . 3.317 2.184 2.103 2.318 . 0 0 "[ . 1 . 2]" 1
1197 1 55 GLY H 1 55 GLY HA3 2.818 . 3.811 2.831 2.308 2.957 . 0 0 "[ . 1 . 2]" 1
1198 1 55 GLY H 1 55 GLY HA2 2.738 . 3.675 2.565 2.294 2.946 . 0 0 "[ . 1 . 2]" 1
1199 1 54 ILE MG 1 55 GLY H 3.300 . 4.661 2.584 2.028 3.296 . 0 0 "[ . 1 . 2]" 1
1200 1 54 ILE HB 1 55 GLY H 3.579 . 5.180 4.112 3.702 4.424 . 0 0 "[ . 1 . 2]" 1
1201 1 79 VAL H 1 79 VAL HB 2.529 . 3.329 2.791 2.591 2.911 . 0 0 "[ . 1 . 2]" 1
1202 1 73 TYR QE 1 79 VAL H 3.379 . 4.806 4.191 3.871 4.745 . 0 0 "[ . 1 . 2]" 1
1203 1 44 VAL MG2 1 80 GLN H 3.643 . 5.302 5.169 5.059 5.303 0.001 9 0 "[ . 1 . 2]" 1
1204 1 80 GLN H 1 81 CYS H 2.527 . 3.325 2.716 2.581 2.847 . 0 0 "[ . 1 . 2]" 1
1205 1 44 VAL HA 1 80 GLN H 2.902 . 3.955 3.061 2.852 3.293 . 0 0 "[ . 1 . 2]" 1
1206 1 24 SER HA 1 26 ALA H 3.255 . 4.579 4.391 4.190 4.546 . 0 0 "[ . 1 . 2]" 1
1207 1 26 ALA H 1 44 VAL MG2 3.699 . 5.410 4.143 4.040 4.231 . 0 0 "[ . 1 . 2]" 1
1208 1 52 THR H 1 52 THR HA 2.674 . 3.568 2.940 2.935 2.946 . 0 0 "[ . 1 . 2]" 1
1209 1 51 ILE HA 1 52 THR H 2.123 . 2.686 2.291 2.259 2.317 . 0 0 "[ . 1 . 2]" 1
1210 1 50 PRO HD2 1 52 THR H 3.577 . 5.177 5.257 5.216 5.303 0.126 7 0 "[ . 1 . 2]" 1
1211 1 51 ILE HG13 1 52 THR H 3.683 . 5.379 5.193 5.154 5.232 . 0 0 "[ . 1 . 2]" 1
1212 1 52 THR H 1 52 THR MG 2.737 . 3.674 2.864 2.739 2.991 . 0 0 "[ . 1 . 2]" 1
1213 1 12 VAL QG 1 52 THR H 3.530 . 5.088 4.422 4.299 4.517 . 0 0 "[ . 1 . 2]" 1
1214 1 51 ILE MG 1 52 THR H 2.799 . 3.778 3.576 3.504 3.655 . 0 0 "[ . 1 . 2]" 1
1215 1 50 PRO HA 1 52 THR H 3.668 . 5.350 5.020 4.946 5.104 . 0 0 "[ . 1 . 2]" 1
1216 1 51 ILE H 1 52 THR H 3.072 . 4.252 4.015 3.913 4.084 . 0 0 "[ . 1 . 2]" 1
1217 1 52 THR HA 1 53 GLY H 2.567 . 3.391 3.157 2.922 3.448 0.057 19 0 "[ . 1 . 2]" 1
1218 1 51 ILE HA 1 53 GLY H 2.842 . 3.852 3.321 3.155 3.540 . 0 0 "[ . 1 . 2]" 1
1219 1 51 ILE MG 1 53 GLY H 3.478 . 4.990 3.230 2.640 3.992 . 0 0 "[ . 1 . 2]" 1
1220 1 23 ASN HA 1 25 GLN H 3.415 . 4.872 3.961 3.827 4.126 . 0 0 "[ . 1 . 2]" 1
1221 1 25 GLN H 1 25 GLN HA 2.530 . 3.330 2.821 2.804 2.840 . 0 0 "[ . 1 . 2]" 1
1222 1 24 SER HA 1 25 GLN H 3.022 . 4.164 3.495 3.458 3.534 . 0 0 "[ . 1 . 2]" 1
1223 1 23 ASN HB3 1 25 GLN H 3.376 . 4.801 3.320 3.186 3.405 . 0 0 "[ . 1 . 2]" 1
1224 1 25 GLN H 1 25 GLN QB . . 2.717 2.263 2.161 2.617 . 0 0 "[ . 1 . 2]" 1
1225 1 25 GLN H 1 26 ALA MB 3.260 . 4.589 4.252 4.194 4.304 . 0 0 "[ . 1 . 2]" 1
1226 1 19 THR MG 1 25 GLN H 3.632 . 5.281 4.469 4.337 4.683 . 0 0 "[ . 1 . 2]" 1
1227 1 25 GLN H 1 46 ILE MD 3.667 . 5.348 5.002 4.647 5.134 . 0 0 "[ . 1 . 2]" 1
1228 1 25 GLN H 1 26 ALA H 2.252 . 2.886 2.593 2.526 2.667 . 0 0 "[ . 1 . 2]" 1
1229 1 23 ASN HD21 1 25 GLN H 3.343 . 4.740 4.229 4.093 4.390 . 0 0 "[ . 1 . 2]" 1
1230 1 25 GLN H 1 27 ALA H 3.322 . 4.701 4.248 4.096 4.365 . 0 0 "[ . 1 . 2]" 1
1231 1 23 ASN HA 1 24 SER H 2.792 . 3.767 2.194 2.164 2.245 . 0 0 "[ . 1 . 2]" 1
1232 1 24 SER H 1 24 SER HB3 3.160 . 4.408 3.121 2.443 3.588 . 0 0 "[ . 1 . 2]" 1
1233 1 37 GLY H 1 37 GLY HA3 2.756 . 3.706 2.952 2.931 2.959 . 0 0 "[ . 1 . 2]" 1
1234 1 36 SER HA 1 37 GLY H 2.732 . 3.665 2.198 2.144 2.294 . 0 0 "[ . 1 . 2]" 1
1235 1 37 GLY H 1 37 GLY HA2 2.997 . 4.120 2.477 2.387 2.617 . 0 0 "[ . 1 . 2]" 1
1236 1 75 ASN HA 1 76 GLY H 2.940 . 4.021 3.367 3.302 3.395 . 0 0 "[ . 1 . 2]" 1
1237 1 76 GLY H 1 76 GLY HA2 2.349 . 3.039 2.371 2.332 2.392 . 0 0 "[ . 1 . 2]" 1
1238 1 72 VAL QG 1 76 GLY H 3.257 . 4.583 4.012 3.607 4.318 . 0 0 "[ . 1 . 2]" 1
1239 1 75 ASN H 1 76 GLY H 2.367 . 3.067 2.406 2.254 2.525 . 0 0 "[ . 1 . 2]" 1
1240 1 76 GLY H 1 77 LEU H 2.488 . 3.262 2.159 2.102 2.257 . 0 0 "[ . 1 . 2]" 1
1241 1 13 GLN HA 1 49 ASN H 3.337 . 4.729 4.188 3.879 4.491 . 0 0 "[ . 1 . 2]" 1
1242 1 14 CYS HB3 1 49 ASN H 3.261 . 4.590 3.227 3.048 3.569 . 0 0 "[ . 1 . 2]" 1
1243 1 48 CYS HB3 1 49 ASN H 3.019 . 4.158 3.298 3.012 3.767 . 0 0 "[ . 1 . 2]" 1
1244 1 49 ASN H 1 49 ASN HB3 2.671 . 3.563 3.320 3.078 3.494 . 0 0 "[ . 1 . 2]" 1
1245 1 13 GLN HB3 1 49 ASN H 3.438 . 4.915 3.837 3.466 4.183 . 0 0 "[ . 1 . 2]" 1
1246 1 49 ASN H 1 49 ASN HD22 3.293 . 4.649 2.813 2.265 3.200 . 0 0 "[ . 1 . 2]" 1
1247 1 48 CYS HA 1 49 ASN H 2.091 . 2.638 2.129 2.095 2.167 . 0 0 "[ . 1 . 2]" 1
1248 1 12 VAL HB 1 67 ALA H 3.552 . 5.129 4.816 4.594 5.098 . 0 0 "[ . 1 . 2]" 1
1249 1 13 GLN HB2 1 67 ALA H 3.409 . 4.862 3.194 3.053 3.358 . 0 0 "[ . 1 . 2]" 1
1250 1 67 ALA H 1 84 ILE HG12 2.688 . 3.591 3.297 3.121 3.504 . 0 0 "[ . 1 . 2]" 1
1251 1 51 ILE MD 1 67 ALA H 3.076 . 4.259 3.641 3.424 3.869 . 0 0 "[ . 1 . 2]" 1
1252 1 12 VAL HA 1 67 ALA H 3.643 . 5.302 4.785 4.585 4.944 . 0 0 "[ . 1 . 2]" 1
1253 1 67 ALA H 1 67 ALA HA 2.745 . 3.687 2.920 2.898 2.937 . 0 0 "[ . 1 . 2]" 1
1254 1 84 ILE HA 1 85 ASN H 2.170 . 2.759 2.204 2.146 2.274 . 0 0 "[ . 1 . 2]" 1
1255 1 85 ASN H 1 85 ASN HB2 2.677 . 3.573 2.699 2.548 2.827 . 0 0 "[ . 1 . 2]" 1
1256 1 85 ASN H 1 85 ASN HB3 2.655 . 3.536 2.419 2.310 2.620 . 0 0 "[ . 1 . 2]" 1
1257 1 84 ILE HB 1 85 ASN H 2.757 . 3.707 3.847 3.805 3.919 0.212 8 0 "[ . 1 . 2]" 1
1258 1 85 ASN H 1 86 VAL MG1 3.179 . 4.442 4.072 3.909 4.232 . 0 0 "[ . 1 . 2]" 1
1259 1 85 ASN H 1 86 VAL H 3.339 . 4.732 4.197 3.581 4.397 . 0 0 "[ . 1 . 2]" 1
1260 1 54 ILE H 1 54 ILE HA 2.725 . 3.653 2.866 2.765 2.943 . 0 0 "[ . 1 . 2]" 1
1261 1 54 ILE H 1 60 SER QB 3.469 . 4.973 4.054 1.848 4.873 0.117 13 0 "[ . 1 . 2]" 1
1262 1 54 ILE H 1 54 ILE HB 2.583 . 3.417 2.551 2.383 2.806 . 0 0 "[ . 1 . 2]" 1
1263 1 54 ILE H 1 54 ILE HG13 2.911 . 3.970 3.018 2.018 3.974 0.004 4 0 "[ . 1 . 2]" 1
1264 1 54 ILE H 1 54 ILE HG12 2.861 . 3.884 2.991 1.963 4.004 0.120 7 0 "[ . 1 . 2]" 1
1265 1 54 ILE H 1 54 ILE MG 2.886 . 3.927 3.784 3.733 3.924 . 0 0 "[ . 1 . 2]" 1
1266 1 54 ILE H 1 55 GLY H 3.325 . 4.707 4.476 4.162 4.604 . 0 0 "[ . 1 . 2]" 1
1267 1 40 ALA HA 1 41 ASN H 2.940 . 4.020 3.469 3.388 3.545 . 0 0 "[ . 1 . 2]" 1
1268 1 41 ASN H 1 41 ASN HB2 2.860 . 3.882 2.833 2.331 3.622 . 0 0 "[ . 1 . 2]" 1
1269 1 41 ASN H 1 41 ASN HB3 2.646 . 3.521 3.004 2.519 3.615 0.094 5 0 "[ . 1 . 2]" 1
1270 1 41 ASN H 1 42 VAL HB 3.416 . 4.875 4.720 4.608 4.878 0.003 17 0 "[ . 1 . 2]" 1
1271 1 40 ALA MB 1 41 ASN H 2.589 . 3.427 2.844 2.495 3.026 . 0 0 "[ . 1 . 2]" 1
1272 1 41 ASN H 1 42 VAL MG2 3.213 . 4.503 3.218 3.026 3.442 . 0 0 "[ . 1 . 2]" 1
1273 1 41 ASN H 1 42 VAL HA 3.639 . 5.294 4.849 4.728 4.937 . 0 0 "[ . 1 . 2]" 1
1274 1 41 ASN H 1 41 ASN HA 2.920 . 3.986 2.898 2.869 2.929 . 0 0 "[ . 1 . 2]" 1
1275 1 74 THR H 1 74 THR HB 3.458 . 4.953 3.095 2.608 3.602 . 0 0 "[ . 1 . 2]" 1
1276 1 73 TYR HB3 1 74 THR H 3.177 . 4.439 2.477 2.363 2.597 . 0 0 "[ . 1 . 2]" 1
1277 1 73 TYR HB2 1 74 THR H 3.365 . 4.780 3.608 3.474 3.708 . 0 0 "[ . 1 . 2]" 1
1278 1 74 THR H 1 74 THR MG 3.155 . 4.399 3.173 2.373 3.750 . 0 0 "[ . 1 . 2]" 1
1279 1 16 ASN HA 1 16 ASN HD22 3.670 . 5.353 4.058 2.786 4.430 . 0 0 "[ . 1 . 2]" 1
1280 1 16 ASN HD22 1 47 ASN HB2 3.568 . 5.160 4.129 3.492 5.075 . 0 0 "[ . 1 . 2]" 1
1281 1 16 ASN HD22 1 47 ASN HB3 3.516 . 5.061 3.947 3.316 4.890 . 0 0 "[ . 1 . 2]" 1
1282 1 56 ALA HA 1 57 GLY H 3.065 . 4.240 2.751 2.130 3.565 . 0 0 "[ . 1 . 2]" 1
1283 1 19 THR HA 1 20 SER H 2.410 . 3.136 2.727 2.658 2.783 . 0 0 "[ . 1 . 2]" 1
1284 1 20 SER H 1 23 ASN HB2 2.861 . 3.884 3.216 3.016 3.361 . 0 0 "[ . 1 . 2]" 1
1285 1 20 SER H 1 23 ASN HB3 3.160 . 4.408 4.423 4.293 4.466 0.058 14 0 "[ . 1 . 2]" 1
1286 1 19 THR MG 1 20 SER H 2.440 . 3.184 3.016 2.885 3.191 0.007 18 0 "[ . 1 . 2]" 1
1287 1 20 SER H 1 44 VAL MG2 3.245 . 4.561 3.846 3.678 3.971 . 0 0 "[ . 1 . 2]" 1
1288 1 20 SER H 1 21 ALA H 3.458 . 4.953 4.541 4.511 4.564 . 0 0 "[ . 1 . 2]" 1
1289 1 20 SER H 1 23 ASN H 3.070 . 4.248 4.077 3.896 4.195 . 0 0 "[ . 1 . 2]" 1
1290 1 20 SER H 1 20 SER HA 2.803 . 3.785 2.929 2.914 2.940 . 0 0 "[ . 1 . 2]" 1
1291 1 7 CYS QB 1 9 ALA H 3.284 . 4.632 3.893 3.377 4.101 . 0 0 "[ . 1 . 2]" 1
1292 1 8 ASN HB3 1 9 ALA H 2.854 . 3.872 3.690 2.834 4.185 0.313 7 0 "[ . 1 . 2]" 1
1293 1 29 LEU HB3 1 30 ILE H 2.567 . 3.391 3.373 3.334 3.398 0.007 18 0 "[ . 1 . 2]" 1
1294 1 8 ASN H 1 9 ALA H 3.227 . 4.529 2.265 2.220 2.359 . 0 0 "[ . 1 . 2]" 1
1295 1 17 THR H 1 46 ILE HB 2.835 . 3.840 2.309 2.166 2.410 . 0 0 "[ . 1 . 2]" 1
1296 1 17 THR H 1 46 ILE MG 3.412 . 4.868 3.022 2.895 3.153 . 0 0 "[ . 1 . 2]" 1
1297 1 25 GLN HE22 1 25 GLN HG2 3.436 . 4.912 2.913 2.224 3.483 . 0 0 "[ . 1 . 2]" 1
1298 1 13 GLN HA 1 14 CYS H 2.217 . 2.831 2.201 2.121 2.295 . 0 0 "[ . 1 . 2]" 1
1299 1 14 CYS H 1 14 CYS HB3 2.608 . 3.458 2.589 2.513 2.685 . 0 0 "[ . 1 . 2]" 1
1300 1 14 CYS H 1 48 CYS HB3 3.530 . 5.087 3.906 3.303 4.414 . 0 0 "[ . 1 . 2]" 1
1301 1 14 CYS H 1 14 CYS HB2 2.668 . 3.557 3.079 2.971 3.217 . 0 0 "[ . 1 . 2]" 1
1302 1 13 GLN HB3 1 14 CYS H 2.832 . 3.835 2.866 2.776 2.983 . 0 0 "[ . 1 . 2]" 1
1303 1 13 GLN HG3 1 14 CYS H 3.525 . 5.078 5.150 5.089 5.220 0.142 20 0 "[ . 1 . 2]" 1
1304 1 14 CYS H 1 51 ILE HG13 3.345 . 4.744 3.432 3.209 3.739 . 0 0 "[ . 1 . 2]" 1
1305 1 14 CYS H 1 51 ILE HG12 3.489 . 5.010 3.297 2.995 3.663 . 0 0 "[ . 1 . 2]" 1
1306 1 14 CYS H 1 51 ILE MD 3.582 . 5.186 3.755 3.549 4.038 . 0 0 "[ . 1 . 2]" 1
1307 1 14 CYS H 1 51 ILE H 3.380 . 4.808 3.931 3.748 4.173 . 0 0 "[ . 1 . 2]" 1
1308 1 14 CYS H 1 49 ASN H 2.657 . 3.540 2.501 2.256 2.809 . 0 0 "[ . 1 . 2]" 1
1309 1 14 CYS H 1 48 CYS HA 3.254 . 4.578 3.764 3.576 3.925 . 0 0 "[ . 1 . 2]" 1
1310 1 14 CYS H 1 14 CYS HA 2.885 . 3.925 2.942 2.937 2.946 . 0 0 "[ . 1 . 2]" 1
1311 1 23 ASN HB2 1 23 ASN HD22 2.709 . 3.626 2.230 2.199 2.277 . 0 0 "[ . 1 . 2]" 1
1312 1 23 ASN HD22 1 25 GLN H 3.472 . 4.979 4.821 4.730 4.905 . 0 0 "[ . 1 . 2]" 1
1313 1 26 ALA MB 1 44 VAL H 3.630 . 5.277 4.889 4.840 4.938 . 0 0 "[ . 1 . 2]" 1
1314 1 43 PRO HB2 1 44 VAL H 3.283 . 4.630 3.430 3.318 3.541 . 0 0 "[ . 1 . 2]" 1
1315 1 43 PRO HB3 1 44 VAL H 3.238 . 4.549 3.669 3.535 3.739 . 0 0 "[ . 1 . 2]" 1
1316 1 44 VAL H 1 81 CYS HB2 3.523 . 5.075 3.785 3.669 3.921 . 0 0 "[ . 1 . 2]" 1
1317 1 44 VAL H 1 44 VAL MG1 2.758 . 3.709 3.030 2.957 3.089 . 0 0 "[ . 1 . 2]" 1
1318 1 44 VAL H 1 45 GLY H 3.662 . 5.339 4.387 4.373 4.406 . 0 0 "[ . 1 . 2]" 1
1319 1 82 ASN HB3 1 82 ASN HD22 2.764 . 3.719 2.603 2.191 3.474 . 0 0 "[ . 1 . 2]" 1
1320 1 64 ALA HA 1 65 ASN H 3.091 . 4.285 3.505 3.455 3.541 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ASN H 1 65 ASN HD21 2.918 . 3.983 4.049 4.006 4.099 0.116 19 0 "[ . 1 . 2]" 1
1322 1 65 ASN H 1 65 ASN HD22 2.669 . 3.559 2.719 2.648 2.775 . 0 0 "[ . 1 . 2]" 1
1323 1 14 CYS HA 1 65 ASN H 3.582 . 5.186 4.358 4.099 4.631 . 0 0 "[ . 1 . 2]" 1
1324 1 32 GLN H 1 32 GLN HG3 2.950 . 4.038 3.867 3.661 4.023 . 0 0 "[ . 1 . 2]" 1
1325 1 32 GLN H 1 33 LEU HG 3.344 . 4.742 3.585 3.477 3.790 . 0 0 "[ . 1 . 2]" 1
1326 1 30 ILE MG 1 32 GLN H 3.491 . 5.014 4.673 4.630 4.711 . 0 0 "[ . 1 . 2]" 1
1327 1 32 GLN H 1 33 LEU H 2.463 . 3.221 2.441 2.364 2.555 . 0 0 "[ . 1 . 2]" 1
1328 1 30 ILE H 1 32 GLN H 3.456 . 4.949 3.922 3.884 3.976 . 0 0 "[ . 1 . 2]" 1
1329 1 73 TYR H 1 73 TYR HA 2.769 . 3.727 2.939 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
1330 1 73 TYR H 1 78 GLY HA3 3.484 . 5.001 4.721 4.646 4.836 . 0 0 "[ . 1 . 2]" 1
1331 1 73 TYR H 1 77 LEU HB3 3.492 . 5.016 3.692 3.461 3.913 . 0 0 "[ . 1 . 2]" 1
1332 1 72 VAL HB 1 73 TYR H 3.194 . 4.469 3.153 2.467 4.132 . 0 0 "[ . 1 . 2]" 1
1333 1 33 LEU MD2 1 73 TYR H 3.687 . 5.386 4.934 4.605 5.198 . 0 0 "[ . 1 . 2]" 1
1334 1 73 TYR H 1 77 LEU H 2.367 . 3.068 3.130 3.093 3.174 0.106 1 0 "[ . 1 . 2]" 1
1335 1 73 TYR H 1 78 GLY HA2 3.191 . 4.464 3.386 3.275 3.492 . 0 0 "[ . 1 . 2]" 1
1336 1 73 TYR H 1 73 TYR QE 3.580 . 5.182 4.603 4.331 4.965 . 0 0 "[ . 1 . 2]" 1
1337 1 19 THR H 1 19 THR HA 2.682 . 3.581 2.900 2.855 2.933 . 0 0 "[ . 1 . 2]" 1
1338 1 19 THR H 1 19 THR HB 2.969 . 4.071 3.402 3.226 3.533 . 0 0 "[ . 1 . 2]" 1
1339 1 19 THR H 1 45 GLY HA3 3.703 . 5.417 5.162 5.055 5.281 . 0 0 "[ . 1 . 2]" 1
1340 1 18 LEU HB2 1 19 THR H 3.123 . 4.342 4.356 4.269 4.417 0.075 5 0 "[ . 1 . 2]" 1
1341 1 18 LEU HB3 1 19 THR H 2.895 . 3.943 3.554 3.311 3.846 . 0 0 "[ . 1 . 2]" 1
1342 1 18 LEU HG 1 19 THR H 3.465 . 4.966 5.069 5.026 5.106 0.140 5 0 "[ . 1 . 2]" 1
1343 1 19 THR H 1 46 ILE MD 2.944 . 4.027 2.846 2.583 3.058 . 0 0 "[ . 1 . 2]" 1
1344 1 18 LEU HA 1 19 THR H 2.049 . 2.574 2.103 2.086 2.140 . 0 0 "[ . 1 . 2]" 1
1345 1 38 VAL H 1 38 VAL HA 2.444 . 3.190 2.891 2.858 2.931 . 0 0 "[ . 1 . 2]" 1
1346 1 37 GLY HA3 1 38 VAL H 2.788 . 3.759 3.035 2.903 3.218 . 0 0 "[ . 1 . 2]" 1
1347 1 38 VAL H 1 38 VAL HB 2.280 . 2.930 2.592 2.521 2.711 . 0 0 "[ . 1 . 2]" 1
1348 1 35 LEU HB2 1 38 VAL H 3.716 . 5.442 4.945 4.557 5.231 . 0 0 "[ . 1 . 2]" 1
1349 1 38 VAL H 1 42 VAL MG1 3.561 . 5.146 5.171 5.104 5.227 0.081 13 0 "[ . 1 . 2]" 1
1350 1 38 VAL H 1 38 VAL MG1 2.772 . 3.733 3.770 3.750 3.802 0.069 17 0 "[ . 1 . 2]" 1
1351 1 37 GLY H 1 38 VAL H 2.832 . 3.834 2.389 2.031 2.795 . 0 0 "[ . 1 . 2]" 1
1352 1 36 SER H 1 38 VAL H 3.452 . 4.941 4.734 4.523 4.883 . 0 0 "[ . 1 . 2]" 1
1353 1 38 VAL H 1 39 GLY H 3.177 . 4.438 4.318 4.241 4.449 0.011 6 0 "[ . 1 . 2]" 1
1354 1 27 ALA HA 1 31 GLN H 2.961 . 4.057 3.410 3.369 3.439 . 0 0 "[ . 1 . 2]" 1
1355 1 30 ILE HB 1 31 GLN H 2.387 . 3.099 2.430 2.388 2.463 . 0 0 "[ . 1 . 2]" 1
1356 1 30 ILE MG 1 31 GLN H 2.667 . 3.556 3.193 3.147 3.244 . 0 0 "[ . 1 . 2]" 1
1357 1 25 GLN HA 1 27 ALA H 3.524 . 5.076 4.953 4.846 5.044 . 0 0 "[ . 1 . 2]" 1
1358 1 26 ALA H 1 27 ALA H 2.206 . 2.814 2.715 2.617 2.826 0.012 20 0 "[ . 1 . 2]" 1
1359 1 40 ALA HA 1 42 VAL H 2.980 . 4.090 3.610 3.374 3.941 . 0 0 "[ . 1 . 2]" 1
1360 1 41 ASN HB2 1 42 VAL H 3.665 . 5.344 4.067 3.399 4.370 . 0 0 "[ . 1 . 2]" 1
1361 1 42 VAL H 1 42 VAL HB 2.230 . 2.852 2.519 2.454 2.579 . 0 0 "[ . 1 . 2]" 1
1362 1 21 ALA MB 1 42 VAL H 2.688 . 3.591 3.105 2.728 3.332 . 0 0 "[ . 1 . 2]" 1
1363 1 42 VAL H 1 42 VAL MG1 2.860 . 3.882 3.785 3.745 3.837 . 0 0 "[ . 1 . 2]" 1
1364 1 38 VAL MG1 1 42 VAL H 3.156 . 4.401 4.111 3.990 4.250 . 0 0 "[ . 1 . 2]" 1
1365 1 41 ASN HA 1 42 VAL H 3.111 . 4.320 3.211 2.979 3.366 . 0 0 "[ . 1 . 2]" 1
1366 1 41 ASN H 1 42 VAL H 2.384 . 3.095 2.502 2.291 2.828 . 0 0 "[ . 1 . 2]" 1
1367 1 40 ALA H 1 42 VAL H 3.508 . 5.046 3.942 3.050 4.302 . 0 0 "[ . 1 . 2]" 1
1368 1 77 LEU HA 1 78 GLY H 2.255 . 2.891 2.131 2.110 2.157 . 0 0 "[ . 1 . 2]" 1
1369 1 46 ILE HA 1 78 GLY H 3.413 . 4.869 4.238 4.060 4.478 . 0 0 "[ . 1 . 2]" 1
1370 1 45 GLY H 1 78 GLY H 2.761 . 3.714 2.525 2.359 2.689 . 0 0 "[ . 1 . 2]" 1
1371 1 30 ILE HA 1 33 LEU H 3.181 . 4.446 3.590 3.519 3.725 . 0 0 "[ . 1 . 2]" 1
1372 1 33 LEU H 1 33 LEU HG 2.163 . 2.748 1.843 1.767 1.937 . 0 0 "[ . 1 . 2]" 1
1373 1 33 LEU H 1 33 LEU HB3 2.792 . 3.766 3.579 3.556 3.617 . 0 0 "[ . 1 . 2]" 1
1374 1 32 GLN HG3 1 33 LEU H 3.598 . 5.216 4.964 4.740 5.108 . 0 0 "[ . 1 . 2]" 1
1375 1 33 LEU H 1 75 ASN HD21 3.418 . 4.878 4.601 4.448 4.799 . 0 0 "[ . 1 . 2]" 1
1376 1 84 ILE H 1 84 ILE HA 2.748 . 3.692 2.904 2.879 2.951 . 0 0 "[ . 1 . 2]" 1
1377 1 66 PRO HG2 1 84 ILE H 2.959 . 4.054 2.920 2.644 3.751 . 0 0 "[ . 1 . 2]" 1
1378 1 83 PRO HB2 1 84 ILE H 2.883 . 3.922 3.725 3.478 3.872 . 0 0 "[ . 1 . 2]" 1
1379 1 84 ILE H 1 84 ILE HB 2.770 . 3.729 2.494 2.400 2.633 . 0 0 "[ . 1 . 2]" 1
1380 1 84 ILE H 1 84 ILE HG12 2.781 . 3.748 2.375 2.177 2.690 . 0 0 "[ . 1 . 2]" 1
1381 1 84 ILE H 1 84 ILE MD 2.619 . 3.476 3.347 3.178 3.488 0.012 15 0 "[ . 1 . 2]" 1
1382 1 67 ALA HA 1 84 ILE H 2.627 . 3.490 2.684 2.397 3.238 . 0 0 "[ . 1 . 2]" 1
1383 1 19 THR H 1 44 VAL H 2.753 . 3.701 3.482 3.329 3.731 0.030 5 0 "[ . 1 . 2]" 1
1384 1 9 ALA H 1 9 ALA HA 2.781 . 3.748 2.886 2.800 2.919 . 0 0 "[ . 1 . 2]" 1
1385 1 30 ILE HA 1 32 GLN H 3.798 . 5.601 4.100 4.033 4.160 . 0 0 "[ . 1 . 2]" 1
1386 1 19 THR H 1 26 ALA MB 3.534 . 5.095 4.885 4.743 5.019 . 0 0 "[ . 1 . 2]" 1
1387 1 27 ALA H 1 30 ILE MD 3.498 . 5.028 3.435 3.383 3.485 . 0 0 "[ . 1 . 2]" 1
1388 1 30 ILE HB 1 32 GLN H 3.658 . 5.330 4.685 4.638 4.718 . 0 0 "[ . 1 . 2]" 1
1389 1 27 ALA H 1 30 ILE HB 3.811 . 5.626 4.554 4.474 4.608 . 0 0 "[ . 1 . 2]" 1
1390 1 83 PRO HB3 1 83 PRO QD 2.660 . 3.544 3.528 3.522 3.542 . 0 0 "[ . 1 . 2]" 1
1391 1 11 PRO HB2 1 11 PRO QD 2.861 . 3.884 3.548 3.522 3.558 . 0 0 "[ . 1 . 2]" 1
1392 1 62 CYS HA 1 62 CYS QB 2.218 . 2.833 2.321 2.281 2.404 . 0 0 "[ . 1 . 2]" 1
1393 1 82 ASN HA 1 83 PRO QD 1.904 . 2.357 1.776 1.748 1.809 . 0 0 "[ . 1 . 2]" 1
1394 1 86 VAL HA 1 86 VAL QG 2.188 . 2.786 2.227 2.190 2.250 . 0 0 "[ . 1 . 2]" 1
1395 1 82 ASN HB3 1 83 PRO QD 2.551 . 3.365 3.440 2.440 3.551 0.186 5 0 "[ . 1 . 2]" 1
1396 1 66 PRO QB 1 66 PRO HD3 2.916 . 3.979 3.058 3.007 3.189 . 0 0 "[ . 1 . 2]" 1
1397 1 62 CYS HB3 1 66 PRO QB 2.701 . 3.613 2.465 2.072 3.353 . 0 0 "[ . 1 . 2]" 1
1398 1 65 ASN HA 1 66 PRO QB 3.204 . 4.487 4.530 4.489 4.603 0.116 16 0 "[ . 1 . 2]" 1
1399 1 66 PRO QB 1 86 VAL MG2 2.747 . 3.690 3.422 2.417 3.606 . 0 0 "[ . 1 . 2]" 1
1400 1 62 CYS QB 1 66 PRO HA 3.269 . 4.604 2.982 2.415 3.889 . 0 0 "[ . 1 . 2]" 1
1401 1 66 PRO HA 1 66 PRO QB 2.032 . 2.548 2.183 2.168 2.189 . 0 0 "[ . 1 . 2]" 1
1402 1 8 ASN QB 1 9 ALA MB 2.906 . 3.962 3.866 3.536 4.040 0.078 7 0 "[ . 1 . 2]" 1
1403 1 8 ASN HA 1 8 ASN QB 2.014 . 2.521 2.386 2.327 2.439 . 0 0 "[ . 1 . 2]" 1
1404 1 10 GLY HA3 1 11 PRO QD 2.166 . 2.752 2.130 1.997 2.352 . 0 0 "[ . 1 . 2]" 1
1405 1 83 PRO HB2 1 83 PRO QD 2.636 . 3.505 2.902 2.878 2.948 . 0 0 "[ . 1 . 2]" 1
1406 1 83 PRO QD 1 83 PRO HG3 2.194 . 2.795 2.236 2.217 2.244 . 0 0 "[ . 1 . 2]" 1
1407 1 82 ASN HB2 1 83 PRO QD 2.445 . 3.192 2.752 2.575 3.597 0.405 7 0 "[ . 1 . 2]" 1
1408 1 18 LEU MD1 1 83 PRO QD 2.629 . 3.493 3.313 2.898 3.459 . 0 0 "[ . 1 . 2]" 1
1409 1 18 LEU MD2 1 83 PRO QD 3.171 . 4.428 4.373 3.865 4.467 0.039 14 0 "[ . 1 . 2]" 1
1410 1 86 VAL QG 1 87 ASN HB2 3.180 . 4.444 4.353 3.801 4.726 0.282 17 0 "[ . 1 . 2]" 1
1411 1 66 PRO QB 1 66 PRO HG2 2.142 . 2.716 2.232 2.195 2.243 . 0 0 "[ . 1 . 2]" 1
1412 1 66 PRO QB 1 66 PRO HD2 2.679 . 3.576 3.502 3.484 3.507 . 0 0 "[ . 1 . 2]" 1
1413 1 11 PRO HB3 1 11 PRO QD 2.821 . 3.816 3.005 2.856 3.161 . 0 0 "[ . 1 . 2]" 1
1414 1 29 LEU HB3 1 29 LEU QD 2.421 . 3.154 2.097 2.090 2.101 . 0 0 "[ . 1 . 2]" 1
1415 1 83 PRO QD 1 83 PRO HG2 2.247 . 2.878 2.188 2.181 2.193 . 0 0 "[ . 1 . 2]" 1
1416 1 62 CYS HB2 1 66 PRO QB 2.911 . 3.970 2.559 2.293 2.819 . 0 0 "[ . 1 . 2]" 1
1417 1 27 ALA MB 1 28 GLY QA 3.194 . 4.469 3.686 3.635 3.723 . 0 0 "[ . 1 . 2]" 1
1418 1 11 PRO QD 1 13 GLN HE22 3.147 . 4.385 3.333 2.667 4.468 0.083 11 0 "[ . 1 . 2]" 1
1419 1 11 PRO QD 1 11 PRO HG2 2.380 . 3.088 2.207 2.181 2.236 . 0 0 "[ . 1 . 2]" 1
1420 1 10 GLY HA2 1 11 PRO QD 2.302 . 2.964 2.679 2.367 2.948 . 0 0 "[ . 1 . 2]" 1
1421 1 11 PRO QD 1 13 GLN HE21 3.403 . 4.850 3.644 3.299 4.030 . 0 0 "[ . 1 . 2]" 1
1422 1 31 GLN HA 1 31 GLN QB 1.951 . 2.427 2.430 2.415 2.442 0.015 3 0 "[ . 1 . 2]" 1
1423 1 29 LEU QD 1 29 LEU HG 1.904 . 2.357 1.895 1.893 1.896 . 0 0 "[ . 1 . 2]" 1
1424 1 51 ILE MD 1 66 PRO QB 2.709 . 3.626 2.556 1.980 2.976 . 0 0 "[ . 1 . 2]" 1
1425 1 11 PRO QD 1 11 PRO HG3 2.325 . 3.001 2.183 2.178 2.190 . 0 0 "[ . 1 . 2]" 1
1426 1 8 ASN QB 1 8 ASN HD22 3.154 . 4.398 2.222 2.145 2.828 . 0 0 "[ . 1 . 2]" 1
1427 1 10 GLY H 1 11 PRO QD 3.498 . 5.028 4.287 4.138 4.372 . 0 0 "[ . 1 . 2]" 1
1428 1 29 LEU H 1 29 LEU QD 2.793 . 3.768 3.014 2.953 3.100 . 0 0 "[ . 1 . 2]" 1
1429 1 88 LEU H 1 88 LEU QD 3.640 . 5.296 3.531 1.922 3.821 0.062 11 0 "[ . 1 . 2]" 1
1430 1 62 CYS H 1 62 CYS QB 2.823 . 3.819 2.337 2.238 2.526 . 0 0 "[ . 1 . 2]" 1
1431 1 66 PRO QB 1 67 ALA H 2.769 . 3.727 3.193 3.017 3.318 . 0 0 "[ . 1 . 2]" 1
1432 1 8 ASN QB 1 8 ASN HD21 2.879 . 3.915 3.266 3.206 3.491 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 79.197
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 13 GLN 0.050 0.042 18 0 "[ . 1 . 2]"
1 14 CYS 0.271 0.056 17 0 "[ . 1 . 2]"
1 15 CYS 0.354 0.057 18 0 "[ . 1 . 2]"
1 16 ASN 0.009 0.009 15 0 "[ . 1 . 2]"
1 17 THR 0.029 0.013 14 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.995 0.065 20 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.010 0.010 7 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.995 0.065 20 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.010 0.010 7 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.029 0.013 14 0 "[ . 1 . 2]"
1 47 ASN 0.009 0.009 15 0 "[ . 1 . 2]"
1 48 CYS 0.018 0.018 9 0 "[ . 1 . 2]"
1 49 ASN 0.271 0.056 17 0 "[ . 1 . 2]"
1 65 ASN 0.354 0.057 18 0 "[ . 1 . 2]"
1 66 PRO 0.006 0.006 10 0 "[ . 1 . 2]"
1 67 ALA 0.050 0.042 18 0 "[ . 1 . 2]"
1 68 CYS 0.087 0.051 17 0 "[ . 1 . 2]"
1 71 ASN 0.859 0.069 8 0 "[ . 1 . 2]"
1 73 TYR 1.271 0.105 20 0 "[ . 1 . 2]"
1 76 GLY 0.018 0.018 9 0 "[ . 1 . 2]"
1 77 LEU 1.271 0.105 20 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.859 0.069 8 0 "[ . 1 . 2]"
1 82 ASN 0.087 0.051 17 0 "[ . 1 . 2]"
1 84 ILE 0.006 0.006 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 GLN H 1 67 ALA O 2.200 . 2.700 1.924 1.688 2.065 0.042 18 0 "[ . 1 . 2]" 2
2 1 45 GLY O 1 78 GLY H 2.200 . 2.700 1.994 1.842 2.129 . 0 0 "[ . 1 . 2]" 2
3 1 17 THR O 1 46 ILE H 2.200 . 2.700 1.759 1.717 1.796 0.013 14 0 "[ . 1 . 2]" 2
4 1 19 THR O 1 44 VAL H 2.200 . 2.700 1.922 1.791 2.056 . 0 0 "[ . 1 . 2]" 2
5 1 14 CYS H 1 49 ASN O 2.200 . 2.700 1.735 1.674 1.804 0.056 17 0 "[ . 1 . 2]" 2
6 1 15 CYS H 1 65 ASN O 2.200 . 2.700 1.724 1.673 1.809 0.057 18 0 "[ . 1 . 2]" 2
7 1 68 CYS H 1 82 ASN O 2.200 . 2.700 1.833 1.679 2.197 0.051 17 0 "[ . 1 . 2]" 2
8 1 73 TYR H 1 77 LEU O 2.200 . 2.700 1.832 1.729 1.950 0.001 8 0 "[ . 1 . 2]" 2
9 1 24 SER O 1 28 GLY H 2.200 . 2.700 2.242 2.080 2.466 . 0 0 "[ . 1 . 2]" 2
10 1 28 GLY O 1 32 GLN H 2.200 . 2.700 2.423 2.163 2.710 0.010 7 0 "[ . 1 . 2]" 2
11 1 25 GLN O 1 29 LEU H 2.200 . 2.700 2.484 2.172 2.664 . 0 0 "[ . 1 . 2]" 2
12 1 26 ALA O 1 30 ILE H 2.200 . 2.700 1.680 1.665 1.706 0.065 20 0 "[ . 1 . 2]" 2
13 1 29 LEU O 1 33 LEU H 2.200 . 2.700 2.040 1.895 2.161 . 0 0 "[ . 1 . 2]" 2
14 1 27 ALA O 1 31 GLN H 2.200 . 2.700 1.805 1.739 1.892 . 0 0 "[ . 1 . 2]" 2
15 1 30 ILE O 1 34 GLY H 2.200 . 2.700 2.044 1.975 2.149 . 0 0 "[ . 1 . 2]" 2
16 1 13 GLN N 1 67 ALA O 3.200 2.516 3.927 2.837 2.633 2.947 . 0 0 "[ . 1 . 2]" 2
17 1 14 CYS N 1 49 ASN O 3.200 2.516 3.927 2.648 2.600 2.747 . 0 0 "[ . 1 . 2]" 2
18 1 29 LEU O 1 33 LEU N 3.200 2.516 3.927 2.942 2.860 2.995 . 0 0 "[ . 1 . 2]" 2
19 1 30 ILE O 1 34 GLY N 3.200 2.516 3.927 2.784 2.741 2.844 . 0 0 "[ . 1 . 2]" 2
20 1 26 ALA O 1 30 ILE N 3.200 2.516 3.927 2.664 2.650 2.690 . 0 0 "[ . 1 . 2]" 2
21 1 28 GLY O 1 32 GLN N 3.200 2.516 3.927 3.098 2.890 3.351 . 0 0 "[ . 1 . 2]" 2
22 1 73 TYR N 1 77 LEU O 3.200 2.516 3.927 2.739 2.695 2.801 . 0 0 "[ . 1 . 2]" 2
23 1 45 GLY O 1 78 GLY N 3.200 2.516 3.927 2.947 2.819 3.092 . 0 0 "[ . 1 . 2]" 2
24 1 17 THR O 1 46 ILE N 3.200 2.516 3.927 2.706 2.669 2.736 . 0 0 "[ . 1 . 2]" 2
25 1 27 ALA O 1 31 GLN N 3.200 2.516 3.927 2.747 2.688 2.829 . 0 0 "[ . 1 . 2]" 2
26 1 25 GLN O 1 29 LEU N 3.200 2.516 3.927 3.417 3.132 3.592 . 0 0 "[ . 1 . 2]" 2
27 1 24 SER O 1 28 GLY N 3.200 2.516 3.927 3.116 2.960 3.331 . 0 0 "[ . 1 . 2]" 2
28 1 19 THR O 1 44 VAL N 3.200 2.516 3.927 2.853 2.746 2.958 . 0 0 "[ . 1 . 2]" 2
29 1 68 CYS N 1 82 ASN O 3.200 2.516 3.927 2.778 2.658 3.095 . 0 0 "[ . 1 . 2]" 2
30 1 15 CYS N 1 65 ASN O 3.200 2.516 3.927 2.661 2.628 2.716 . 0 0 "[ . 1 . 2]" 2
31 1 45 GLY H 1 78 GLY O 2.200 . 2.700 2.019 1.893 2.185 . 0 0 "[ . 1 . 2]" 2
32 1 45 GLY N 1 78 GLY O 3.200 2.516 3.927 2.933 2.820 3.088 . 0 0 "[ . 1 . 2]" 2
33 1 14 CYS O 1 49 ASN H 2.200 . 2.700 2.086 1.867 2.410 . 0 0 "[ . 1 . 2]" 2
34 1 14 CYS O 1 49 ASN N 3.200 2.516 3.927 3.010 2.779 3.368 . 0 0 "[ . 1 . 2]" 2
35 1 13 GLN O 1 67 ALA H 2.200 . 2.700 1.807 1.722 1.888 0.008 16 0 "[ . 1 . 2]" 2
36 1 13 GLN O 1 67 ALA N 3.200 2.516 3.927 2.760 2.667 2.823 . 0 0 "[ . 1 . 2]" 2
37 1 73 TYR O 1 77 LEU H 2.200 . 2.700 2.763 2.721 2.805 0.105 20 0 "[ . 1 . 2]" 2
38 1 73 TYR O 1 77 LEU N 3.200 2.516 3.927 3.375 3.341 3.419 . 0 0 "[ . 1 . 2]" 2
39 1 68 CYS O 1 82 ASN H 2.200 . 2.700 1.840 1.728 2.200 0.002 15 0 "[ . 1 . 2]" 2
40 1 68 CYS O 1 82 ASN N 3.200 2.516 3.927 2.801 2.694 3.187 . 0 0 "[ . 1 . 2]" 2
41 1 66 PRO O 1 84 ILE H 2.200 . 2.700 1.800 1.724 1.996 0.006 10 0 "[ . 1 . 2]" 2
42 1 66 PRO O 1 84 ILE N 3.200 2.516 3.927 2.761 2.706 2.825 . 0 0 "[ . 1 . 2]" 2
43 1 16 ASN H 1 47 ASN O 2.200 . 2.700 2.499 2.298 2.709 0.009 15 0 "[ . 1 . 2]" 2
44 1 48 CYS H 1 76 GLY O 2.200 . 2.700 1.840 1.712 2.109 0.018 9 0 "[ . 1 . 2]" 2
45 1 71 ASN O 1 79 VAL H 2.200 . 2.700 1.690 1.661 1.788 0.069 8 0 "[ . 1 . 2]" 2
46 1 47 ASN H 1 76 GLY O 2.200 . 2.700 2.370 2.225 2.589 . 0 0 "[ . 1 . 2]" 2
47 1 47 ASN N 1 76 GLY O 3.200 2.516 3.927 2.856 2.742 3.024 . 0 0 "[ . 1 . 2]" 2
48 1 16 ASN N 1 47 ASN O 3.200 2.516 3.927 3.301 3.073 3.502 . 0 0 "[ . 1 . 2]" 2
49 1 48 CYS N 1 76 GLY O 3.200 2.516 3.927 2.795 2.679 3.053 . 0 0 "[ . 1 . 2]" 2
50 1 71 ASN O 1 79 VAL N 3.200 2.516 3.927 2.658 2.622 2.750 . 0 0 "[ . 1 . 2]" 2
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