NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619600 |
5lxk   |
34046 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lxk
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 1187
_Distance_constraint_stats_list.Viol_count 2336
_Distance_constraint_stats_list.Viol_total 3932.364
_Distance_constraint_stats_list.Viol_max 0.948
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0842
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 2.565 0.591 18 1 "[ . 1 . + 2]"
1 3 THR 3.768 0.201 2 0 "[ . 1 . 2]"
1 4 LEU 5.906 0.276 11 0 "[ . 1 . 2]"
1 5 SER 2.454 0.591 18 1 "[ . 1 . + 2]"
1 6 LYS 2.141 0.536 14 1 "[ . 1 +. 2]"
1 7 ASP 7.799 0.233 16 0 "[ . 1 . 2]"
1 8 LEU 10.783 0.916 17 7 "[ * *. * 1 **. + -2]"
1 9 THR 5.788 0.209 14 0 "[ . 1 . 2]"
1 10 ALA 4.356 0.323 18 0 "[ . 1 . 2]"
1 11 SER 2.982 0.648 19 2 "[ . - . +2]"
1 12 MET 6.131 0.648 19 2 "[ . - . +2]"
1 13 SER 2.102 0.208 15 0 "[ . 1 . 2]"
1 14 VAL 7.040 0.271 9 0 "[ . 1 . 2]"
1 15 GLU 0.689 0.160 20 0 "[ . 1 . 2]"
1 16 GLU 13.448 0.327 11 0 "[ . 1 . 2]"
1 17 GLY 0.744 0.050 6 0 "[ . 1 . 2]"
1 18 ALA 0.458 0.070 10 0 "[ . 1 . 2]"
1 19 ALA 9.624 0.343 12 0 "[ . 1 . 2]"
1 20 LEU 6.946 0.302 19 0 "[ . 1 . 2]"
1 21 THR 3.315 0.178 19 0 "[ . 1 . 2]"
1 22 LEU 2.651 0.572 20 2 "[ . - 1 . +]"
1 23 SER 0.888 0.225 3 0 "[ . 1 . 2]"
1 24 VAL 6.178 0.703 3 1 "[ + . 1 . 2]"
1 25 THR 3.949 0.948 10 1 "[ . + . 2]"
1 26 ALA 1.623 0.107 3 0 "[ . 1 . 2]"
1 27 THR 0.537 0.083 4 0 "[ . 1 . 2]"
1 28 GLY 1.137 0.074 17 0 "[ . 1 . 2]"
1 29 GLY 0.565 0.047 5 0 "[ . 1 . 2]"
1 30 THR 3.413 0.183 18 0 "[ . 1 . 2]"
1 32 PRO 8.041 0.250 14 0 "[ . 1 . 2]"
1 33 TYR 9.571 0.353 7 0 "[ . 1 . 2]"
1 34 THR 3.530 0.166 7 0 "[ . 1 . 2]"
1 35 TYR 7.908 0.228 10 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TRP 2.430 0.172 20 0 "[ . 1 . 2]"
1 38 THR 2.621 0.119 16 0 "[ . 1 . 2]"
1 39 LYS 3.185 0.157 16 0 "[ . 1 . 2]"
1 40 ASP 1.962 0.154 9 0 "[ . 1 . 2]"
1 41 GLY 5.338 0.258 15 0 "[ . 1 . 2]"
1 42 SER 1.560 0.119 16 0 "[ . 1 . 2]"
1 43 PRO 7.138 0.275 16 0 "[ . 1 . 2]"
1 44 ILE 5.203 0.172 20 0 "[ . 1 . 2]"
1 45 PRO 6.772 0.217 18 0 "[ . 1 . 2]"
1 46 ASP 0.683 0.070 9 0 "[ . 1 . 2]"
1 47 ALA 6.273 0.230 9 0 "[ . 1 . 2]"
1 48 SER 3.686 0.230 9 0 "[ . 1 . 2]"
1 49 GLY 4.977 0.228 10 0 "[ . 1 . 2]"
1 50 ALA 4.919 0.191 15 0 "[ . 1 . 2]"
1 51 THR 1.234 0.076 3 0 "[ . 1 . 2]"
1 52 TYR 2.628 0.572 20 2 "[ . - 1 . +]"
1 53 THR 6.667 0.217 18 0 "[ . 1 . 2]"
1 54 LYS 8.998 0.572 20 2 "[ . - 1 . +]"
1 55 PRO 4.695 0.157 16 0 "[ . 1 . 2]"
1 56 THR 7.207 0.208 19 0 "[ . 1 . 2]"
1 57 ALA 3.930 0.302 19 0 "[ . 1 . 2]"
1 58 ALA 0.321 0.029 6 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.331 0.029 6 0 "[ . 1 . 2]"
1 61 ASP 7.558 0.275 16 0 "[ . 1 . 2]"
1 62 ALA 6.549 0.327 11 0 "[ . 1 . 2]"
1 63 GLY 7.032 0.370 6 0 "[ . 1 . 2]"
1 64 SER 1.217 0.165 5 0 "[ . 1 . 2]"
1 65 TYR 1.313 0.129 13 0 "[ . 1 . 2]"
1 66 LYS 19.561 0.370 6 0 "[ . 1 . 2]"
1 67 VAL 10.513 0.945 4 2 "[ +.- 1 . 2]"
1 68 THR 0.599 0.109 14 0 "[ . 1 . 2]"
1 69 VAL 10.510 0.609 6 1 "[ .+ 1 . 2]"
1 70 THR 9.502 0.215 8 0 "[ . 1 . 2]"
1 71 ASP 6.151 0.147 20 0 "[ . 1 . 2]"
1 72 SER 8.499 0.250 14 0 "[ . 1 . 2]"
1 73 LYS 7.124 0.353 7 0 "[ . 1 . 2]"
1 74 GLN 0.257 0.047 5 0 "[ . 1 . 2]"
1 75 VAL 8.937 0.215 8 0 "[ . 1 . 2]"
1 76 SER 4.124 0.166 7 0 "[ . 1 . 2]"
1 77 LYS 9.155 0.948 10 2 "[ - . + . 2]"
1 78 ASP 7.618 0.945 4 3 "[ -+.* 1 . 2]"
1 79 SER 0.666 0.484 17 0 "[ . 1 . 2]"
1 80 THR 2.632 0.129 13 0 "[ . 1 . 2]"
1 81 THR 6.493 0.351 15 0 "[ . 1 . 2]"
1 82 CYS 9.239 0.916 17 7 "[ * *. * 1 **. + -2]"
1 83 ALA 4.187 0.122 12 0 "[ . 1 . 2]"
1 84 VAL 0.386 0.045 8 0 "[ . 1 . 2]"
1 85 THR 1.057 0.154 19 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 3.265 0.109 14 0 "[ . 1 . 2]"
1 88 PRO 0.521 0.046 8 0 "[ . 1 . 2]"
1 89 THR 1.105 0.120 10 0 "[ . 1 . 2]"
1 90 VAL 3.517 0.120 10 0 "[ . 1 . 2]"
1 91 PRO 1.697 0.092 4 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.816 0.277 3 0 "[ . 1 . 2]"
1 94 LEU 0.560 0.068 8 0 "[ . 1 . 2]"
1 95 GLU 0.588 0.277 3 0 "[ . 1 . 2]"
1 96 HIS 0.437 0.068 8 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 3 THR HA 1 3 THR MG 3.340 . 4.740 3.271 3.226 3.311 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR HB 1 3 THR MG 2.940 . 4.020 2.196 2.186 2.206 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU MD2 1 4 LEU HA 3.260 . 4.590 3.470 3.255 3.598 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU HG 1 6 LYS HA 3.910 . 5.300 5.105 4.859 5.364 0.064 10 0 "[ . 1 . 2]" 1
5 1 4 LEU HG 1 7 ASP HA 3.750 . 5.300 3.132 2.822 3.888 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU QD 1 4 LEU HG 2.940 . 4.020 1.920 1.892 1.936 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HB3 1 4 LEU QD 3.020 . 4.160 2.069 2.015 2.171 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU QD 1 5 SER QB 3.420 . 4.890 3.906 3.473 4.493 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU QD 1 7 ASP HA 3.260 . 3.600 2.787 2.105 3.152 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU QD 1 8 LEU H 4.080 . 5.300 3.839 3.310 4.145 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU QD 1 7 ASP H 3.590 . 5.200 4.559 3.803 4.978 . 0 0 "[ . 1 . 2]" 1
12 1 5 SER HA 1 5 SER QB 3.020 . 4.160 2.437 2.339 2.576 . 0 0 "[ . 1 . 2]" 1
13 1 3 THR MG 1 5 SER HA 3.510 . 5.050 3.796 3.348 4.113 . 0 0 "[ . 1 . 2]" 1
14 1 3 THR MG 1 5 SER QB 3.420 . 4.590 4.255 4.204 4.280 . 0 0 "[ . 1 . 2]" 1
15 1 5 SER QB 1 6 LYS HB2 3.910 . 5.300 4.564 4.046 5.138 . 0 0 "[ . 1 . 2]" 1
16 1 5 SER QB 1 6 LYS HB3 3.670 . 5.300 3.800 3.312 4.092 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS H 1 6 LYS HB2 4.160 . 5.300 3.583 3.224 3.956 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS HA 1 6 LYS HG2 3.550 . 5.120 3.867 2.541 4.308 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS HA 1 6 LYS HG3 3.910 . 5.300 3.593 3.487 3.869 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS HG2 1 7 ASP H 4.240 . 5.300 4.408 2.776 5.249 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS QD 1 6 LYS HE2 3.180 . 4.440 2.195 2.060 2.331 . 0 0 "[ . 1 . 2]" 1
22 1 54 LYS QD 1 55 PRO HD2 4.080 . 5.300 4.541 3.101 5.068 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS HB2 1 6 LYS HE3 3.420 . 4.890 4.508 3.891 5.426 0.536 14 1 "[ . 1 +. 2]" 1
24 1 6 LYS HE3 1 6 LYS HG3 3.910 . 5.300 3.522 2.845 4.275 . 0 0 "[ . 1 . 2]" 1
25 1 7 ASP HA 1 7 ASP QB 3.340 . 4.740 2.306 2.088 2.537 . 0 0 "[ . 1 . 2]" 1
26 1 87 ASN HA 1 88 PRO HD3 3.020 . 4.160 2.434 2.017 2.615 . 0 0 "[ . 1 . 2]" 1
27 1 8 LEU HA 1 8 LEU HG 3.420 . 4.890 3.592 2.790 3.874 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU QD 1 8 LEU HG 3.260 . 4.590 4.206 3.070 4.484 . 0 0 "[ . 1 . 2]" 1
29 1 8 LEU QD 1 67 VAL MG1 3.510 . 5.050 2.247 2.018 2.437 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU QD 1 22 LEU HA 3.510 . 5.050 2.099 1.922 2.481 0.048 9 0 "[ . 1 . 2]" 1
31 1 8 LEU QD 1 37 TRP HH2 3.420 . 4.890 2.227 1.881 3.136 0.069 20 0 "[ . 1 . 2]" 1
32 1 8 LEU QD 1 23 SER H 3.510 . 5.050 2.164 1.745 2.555 0.225 3 0 "[ . 1 . 2]" 1
33 1 8 LEU QD 1 22 LEU HB3 2.770 . 3.730 3.038 2.465 3.699 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU QD 1 82 CYS QB 3.340 . 4.740 3.033 2.180 3.970 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU HA 1 8 LEU QD 3.100 . 4.090 3.276 2.637 3.585 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU QD 1 79 SER QB 3.100 . 4.300 2.687 1.984 3.550 0.016 17 0 "[ . 1 . 2]" 1
37 1 8 LEU QD 1 37 TRP HZ3 3.420 . 4.890 2.308 1.971 3.225 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU QD 1 82 CYS H 4.000 . 5.300 4.212 3.489 5.204 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR HA 1 9 THR MG 3.020 . 4.160 2.691 2.549 3.086 . 0 0 "[ . 1 . 2]" 1
40 1 9 THR HB 1 11 SER H 3.910 . 5.300 5.282 5.088 5.368 0.068 19 0 "[ . 1 . 2]" 1
41 1 9 THR HB 1 21 THR H 3.510 . 5.050 3.104 2.794 3.445 . 0 0 "[ . 1 . 2]" 1
42 1 9 THR HB 1 9 THR MG 3.180 . 4.440 2.178 2.157 2.195 . 0 0 "[ . 1 . 2]" 1
43 1 9 THR MG 1 10 ALA H 3.340 . 4.740 1.943 1.877 2.097 0.063 13 0 "[ . 1 . 2]" 1
44 1 9 THR MG 1 10 ALA HA 2.610 . 3.460 3.563 3.489 3.644 0.184 14 0 "[ . 1 . 2]" 1
45 1 10 ALA HA 1 80 THR MG 3.020 . 4.160 3.980 3.505 4.248 0.088 16 0 "[ . 1 . 2]" 1
46 1 10 ALA HA 1 82 CYS HA 3.510 . 5.050 2.572 2.248 2.977 . 0 0 "[ . 1 . 2]" 1
47 1 10 ALA MB 1 11 SER HB2 3.420 . 4.890 4.319 3.623 5.213 0.323 18 0 "[ . 1 . 2]" 1
48 1 10 ALA MB 1 11 SER HA 4.160 . 5.300 4.487 4.379 4.570 . 0 0 "[ . 1 . 2]" 1
49 1 10 ALA MB 1 80 THR MG 2.940 . 4.020 3.988 3.603 4.086 0.066 18 0 "[ . 1 . 2]" 1
50 1 11 SER HA 1 83 ALA MB 3.340 . 4.740 3.158 2.335 3.464 . 0 0 "[ . 1 . 2]" 1
51 1 11 SER HA 1 12 MET HB3 4.160 . 5.300 5.122 4.805 5.948 0.648 19 2 "[ . - . +2]" 1
52 1 11 SER HB3 1 83 ALA MB 3.590 . 5.200 3.420 2.126 4.240 . 0 0 "[ . 1 . 2]" 1
53 1 11 SER QB 1 83 ALA MB 3.510 . 5.050 2.687 1.999 3.669 . 0 0 "[ . 1 . 2]" 1
54 1 11 SER H 1 11 SER HB3 4.080 . 5.300 3.535 3.196 4.077 . 0 0 "[ . 1 . 2]" 1
55 1 12 MET HA 1 12 MET HG2 3.550 . 5.120 3.157 2.304 3.854 . 0 0 "[ . 1 . 2]" 1
56 1 12 MET HA 1 12 MET HG3 3.710 . 5.300 2.880 2.251 3.815 . 0 0 "[ . 1 . 2]" 1
57 1 12 MET HG3 1 14 VAL MG1 3.670 . 5.300 3.713 2.124 4.515 . 0 0 "[ . 1 . 2]" 1
58 1 12 MET HG2 1 14 VAL MG1 3.750 . 5.300 3.347 2.248 5.306 0.006 19 0 "[ . 1 . 2]" 1
59 1 13 SER HA 1 84 VAL HA 3.910 . 5.300 4.087 3.730 4.472 . 0 0 "[ . 1 . 2]" 1
60 1 12 MET H 1 13 SER HA 4.240 . 5.300 4.725 4.558 5.024 . 0 0 "[ . 1 . 2]" 1
61 1 13 SER HB3 1 14 VAL MG1 4.320 . 5.300 5.341 5.195 5.508 0.208 15 0 "[ . 1 . 2]" 1
62 1 13 SER HB3 1 85 THR MG 4.160 . 5.300 4.034 2.683 5.308 0.008 17 0 "[ . 1 . 2]" 1
63 1 12 MET HA 1 13 SER HB3 3.750 . 5.300 4.576 4.376 4.720 . 0 0 "[ . 1 . 2]" 1
64 1 14 VAL HA 1 14 VAL MG2 2.850 . 3.870 2.100 2.047 2.209 . 0 0 "[ . 1 . 2]" 1
65 1 44 ILE HA 1 44 ILE QG 3.180 . 4.440 3.526 3.335 3.602 . 0 0 "[ . 1 . 2]" 1
66 1 14 VAL HA 1 15 GLU HG3 3.590 . 5.200 4.516 3.926 5.360 0.160 20 0 "[ . 1 . 2]" 1
67 1 44 ILE HA 1 44 ILE MD 4.000 . 5.300 3.721 3.564 3.879 . 0 0 "[ . 1 . 2]" 1
68 1 14 VAL HB 1 14 VAL QG 2.940 . 4.020 1.924 1.906 1.939 . 0 0 "[ . 1 . 2]" 1
69 1 14 VAL HB 1 15 GLU H 3.510 . 5.050 3.865 3.795 3.949 . 0 0 "[ . 1 . 2]" 1
70 1 13 SER H 1 14 VAL HB 3.590 . 5.200 4.272 3.981 4.468 . 0 0 "[ . 1 . 2]" 1
71 1 14 VAL HB 1 14 VAL MG2 2.770 . 3.730 2.157 2.129 2.175 . 0 0 "[ . 1 . 2]" 1
72 1 14 VAL HA 1 14 VAL MG1 2.770 . 3.730 3.260 3.236 3.287 . 0 0 "[ . 1 . 2]" 1
73 1 14 VAL HA 1 14 VAL QG 2.940 . 4.020 2.335 2.241 2.397 . 0 0 "[ . 1 . 2]" 1
74 1 13 SER HA 1 14 VAL MG1 3.670 . 5.300 3.374 3.230 3.631 . 0 0 "[ . 1 . 2]" 1
75 1 13 SER HA 1 14 VAL MG2 4.000 . 5.300 5.343 5.309 5.381 0.081 1 0 "[ . 1 . 2]" 1
76 1 14 VAL MG1 1 15 GLU H 2.940 . 4.020 3.406 3.259 3.549 . 0 0 "[ . 1 . 2]" 1
77 1 14 VAL MG2 1 16 GLU H 3.180 . 4.440 4.663 4.596 4.711 0.271 9 0 "[ . 1 . 2]" 1
78 1 15 GLU HA 1 16 GLU H 2.850 . 3.870 2.346 2.220 2.463 . 0 0 "[ . 1 . 2]" 1
79 1 15 GLU H 1 15 GLU HB2 3.340 . 4.740 2.658 2.324 3.108 . 0 0 "[ . 1 . 2]" 1
80 1 15 GLU HB2 1 15 GLU HG3 2.890 . 3.940 2.692 2.467 3.115 . 0 0 "[ . 1 . 2]" 1
81 1 15 GLU HA 1 15 GLU HG3 3.380 . 4.810 3.358 2.503 3.883 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL MG2 1 15 GLU HG3 3.830 . 5.300 3.628 2.753 4.945 . 0 0 "[ . 1 . 2]" 1
83 1 93 GLY H 1 95 GLU HG2 3.670 . 5.300 5.210 4.896 5.577 0.277 3 0 "[ . 1 . 2]" 1
84 1 17 GLY HA3 1 56 THR HA 3.670 . 5.300 3.654 3.412 3.817 . 0 0 "[ . 1 . 2]" 1
85 1 17 GLY HA2 1 56 THR HA 3.750 . 5.300 2.263 2.062 2.416 . 0 0 "[ . 1 . 2]" 1
86 1 17 GLY HA3 1 18 ALA H 4.160 . 5.300 3.639 3.592 3.700 . 0 0 "[ . 1 . 2]" 1
87 1 18 ALA HA 1 18 ALA MB 2.810 . 3.800 2.162 2.138 2.183 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL MG1 1 18 ALA MB 3.020 . 4.160 2.064 1.938 2.191 . 0 0 "[ . 1 . 2]" 1
89 1 18 ALA MB 1 19 ALA MB 3.100 . 4.300 3.751 3.501 4.134 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU HA 1 18 ALA MB 4.000 . 5.300 3.934 3.312 4.159 . 0 0 "[ . 1 . 2]" 1
91 1 17 GLY HA2 1 18 ALA MB 3.510 . 5.050 4.527 4.381 4.664 . 0 0 "[ . 1 . 2]" 1
92 1 19 ALA HA 1 19 ALA MB 2.810 . 3.800 2.119 2.092 2.149 . 0 0 "[ . 1 . 2]" 1
93 1 14 VAL MG1 1 19 ALA MB 3.100 . 4.300 3.764 3.250 4.045 . 0 0 "[ . 1 . 2]" 1
94 1 18 ALA MB 1 19 ALA MB 3.020 . 4.160 4.143 3.984 4.230 0.070 10 0 "[ . 1 . 2]" 1
95 1 12 MET HG3 1 19 ALA MB 4.000 . 5.300 4.071 2.034 4.940 . 0 0 "[ . 1 . 2]" 1
96 1 19 ALA MB 1 55 PRO HA 3.180 . 4.440 3.578 3.254 3.852 . 0 0 "[ . 1 . 2]" 1
97 1 18 ALA HA 1 19 ALA MB 3.550 . 5.120 3.876 3.668 4.044 . 0 0 "[ . 1 . 2]" 1
98 1 19 ALA MB 1 20 LEU H 3.180 . 4.440 3.445 3.298 3.545 . 0 0 "[ . 1 . 2]" 1
99 1 20 LEU HB2 1 20 LEU QD 3.910 . 5.300 2.102 1.985 2.172 0.015 18 0 "[ . 1 . 2]" 1
100 1 20 LEU HB3 1 20 LEU QD 3.910 . 5.300 2.161 2.014 2.606 . 0 0 "[ . 1 . 2]" 1
101 1 20 LEU QD 1 20 LEU HG 2.890 . 3.730 1.941 1.899 1.967 . 0 0 "[ . 1 . 2]" 1
102 1 20 LEU QD 1 45 PRO HG2 3.180 . 4.440 4.382 4.171 4.485 0.045 4 0 "[ . 1 . 2]" 1
103 1 20 LEU HB2 1 20 LEU QD 3.100 . 4.300 1.935 1.838 2.078 0.062 17 0 "[ . 1 . 2]" 1
104 1 20 LEU QD 1 61 ASP HB3 3.510 . 5.050 2.731 2.179 3.249 . 0 0 "[ . 1 . 2]" 1
105 1 20 LEU HA 1 20 LEU QD 2.940 . 4.020 2.815 2.126 3.233 . 0 0 "[ . 1 . 2]" 1
106 1 20 LEU QD 1 21 THR H 3.340 . 4.740 4.053 3.024 4.372 . 0 0 "[ . 1 . 2]" 1
107 1 12 MET H 1 20 LEU QD 3.590 . 5.200 4.861 4.050 5.115 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU HA 1 21 THR HB 3.910 . 5.300 3.808 3.618 4.408 . 0 0 "[ . 1 . 2]" 1
109 1 21 THR HA 1 21 THR MG 3.020 . 4.160 3.013 2.815 3.353 . 0 0 "[ . 1 . 2]" 1
110 1 21 THR MG 1 22 LEU H 3.340 . 4.740 3.293 2.710 4.275 . 0 0 "[ . 1 . 2]" 1
111 1 22 LEU HB3 1 22 LEU QD 3.510 . 4.810 2.392 2.097 2.628 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU HB3 1 37 TRP HZ3 3.670 . 5.300 2.302 2.026 2.736 . 0 0 "[ . 1 . 2]" 1
113 1 22 LEU H 1 22 LEU HB3 4.160 . 5.300 3.708 3.553 3.840 . 0 0 "[ . 1 . 2]" 1
114 1 22 LEU QD 1 22 LEU HG 3.260 . 4.300 1.919 1.874 1.941 0.056 19 0 "[ . 1 . 2]" 1
115 1 22 LEU HB3 1 22 LEU QD 2.850 . 3.870 2.354 2.090 2.598 . 0 0 "[ . 1 . 2]" 1
116 1 22 LEU QD 1 45 PRO HG2 3.020 . 4.160 2.684 2.096 3.194 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU QD 1 82 CYS QB 3.750 . 5.300 3.354 2.882 4.707 . 0 0 "[ . 1 . 2]" 1
118 1 22 LEU QD 1 54 LYS QE 3.830 . 5.300 4.823 3.228 5.051 . 0 0 "[ . 1 . 2]" 1
119 1 22 LEU HA 1 22 LEU QD 3.630 . 5.280 2.339 2.021 3.120 . 0 0 "[ . 1 . 2]" 1
120 1 20 LEU HA 1 22 LEU QD 3.750 . 5.300 3.747 3.400 4.373 . 0 0 "[ . 1 . 2]" 1
121 1 22 LEU QD 1 37 TRP HZ3 3.670 . 4.740 2.592 2.053 3.210 . 0 0 "[ . 1 . 2]" 1
122 1 22 LEU QD 1 23 SER H 3.670 . 5.300 4.003 3.693 4.610 . 0 0 "[ . 1 . 2]" 1
123 1 22 LEU MD1 1 22 LEU MD2 2.850 . 3.870 2.132 2.011 2.213 . 0 0 "[ . 1 . 2]" 1
124 1 22 LEU QD 1 37 TRP QB 3.750 . 5.300 3.046 2.620 3.352 . 0 0 "[ . 1 . 2]" 1
125 1 22 LEU H 1 22 LEU QD 4.240 . 5.300 2.768 2.555 3.313 . 0 0 "[ . 1 . 2]" 1
126 1 22 LEU HA 1 23 SER HA 4.000 . 5.300 3.974 3.916 4.028 . 0 0 "[ . 1 . 2]" 1
127 1 21 THR MG 1 23 SER HA 3.510 . 5.050 4.314 3.841 4.825 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER HA 1 37 TRP HZ2 4.240 . 5.300 4.664 4.160 5.081 . 0 0 "[ . 1 . 2]" 1
129 1 21 THR MG 1 23 SER HB3 3.020 . 4.160 3.279 2.825 3.942 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU HB3 1 23 SER HB3 4.080 . 5.300 3.944 2.787 5.351 0.051 20 0 "[ . 1 . 2]" 1
131 1 23 SER HB3 1 51 THR HA 3.750 . 5.300 4.584 3.010 5.175 . 0 0 "[ . 1 . 2]" 1
132 1 23 SER H 1 23 SER HB3 3.100 . 4.300 2.974 2.758 3.275 . 0 0 "[ . 1 . 2]" 1
133 1 32 PRO HB3 1 33 TYR H 4.000 . 5.300 2.953 2.674 3.627 . 0 0 "[ . 1 . 2]" 1
134 1 24 VAL HB 1 24 VAL MG1 3.100 . 4.300 2.165 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
135 1 24 VAL MG1 1 67 VAL MG1 3.100 . 4.300 2.731 2.173 3.076 . 0 0 "[ . 1 . 2]" 1
136 1 73 LYS HA 1 75 VAL MG2 3.340 . 4.740 4.006 3.906 4.128 . 0 0 "[ . 1 . 2]" 1
137 1 24 VAL HA 1 24 VAL MG1 3.020 . 4.160 2.253 2.147 2.361 . 0 0 "[ . 1 . 2]" 1
138 1 71 ASP HA 1 75 VAL MG2 3.260 . 4.590 4.672 4.643 4.689 0.099 11 0 "[ . 1 . 2]" 1
139 1 24 VAL MG1 1 37 TRP HH2 3.830 . 5.300 3.476 2.792 3.926 . 0 0 "[ . 1 . 2]" 1
140 1 24 VAL MG1 1 25 THR H 3.510 . 5.050 3.562 3.330 3.896 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU H 1 24 VAL MG1 3.830 . 5.300 5.305 4.876 5.378 0.078 10 0 "[ . 1 . 2]" 1
142 1 24 VAL HB 1 24 VAL MG2 3.100 . 4.300 2.184 2.171 2.198 . 0 0 "[ . 1 . 2]" 1
143 1 24 VAL MG2 1 67 VAL MG2 3.910 . 5.300 3.133 2.610 3.858 . 0 0 "[ . 1 . 2]" 1
144 1 24 VAL MG2 1 67 VAL MG1 2.940 . 4.020 3.313 2.771 3.799 . 0 0 "[ . 1 . 2]" 1
145 1 24 VAL HA 1 24 VAL MG2 3.420 . 4.890 3.217 3.165 3.254 . 0 0 "[ . 1 . 2]" 1
146 1 23 SER HA 1 24 VAL MG2 3.830 . 5.300 3.482 3.323 3.607 . 0 0 "[ . 1 . 2]" 1
147 1 24 VAL H 1 24 VAL MG2 3.100 . 4.300 2.446 2.394 2.530 . 0 0 "[ . 1 . 2]" 1
148 1 24 VAL MG2 1 37 TRP HZ2 3.910 . 5.300 2.182 1.977 2.509 0.023 20 0 "[ . 1 . 2]" 1
149 1 24 VAL MG2 1 35 TYR QE 3.260 . 4.590 3.476 2.949 3.851 . 0 0 "[ . 1 . 2]" 1
150 1 24 VAL MG2 1 35 TYR QD 3.670 . 5.300 2.603 2.179 2.947 . 0 0 "[ . 1 . 2]" 1
151 1 24 VAL MG2 1 25 THR H 3.670 . 5.300 3.517 3.287 3.692 . 0 0 "[ . 1 . 2]" 1
152 1 25 THR HB 1 32 PRO HG3 3.340 . 4.740 4.815 4.693 4.883 0.143 3 0 "[ . 1 . 2]" 1
153 1 24 VAL HA 1 25 THR HB 3.830 . 5.300 4.730 4.518 5.420 0.120 17 0 "[ . 1 . 2]" 1
154 1 25 THR H 1 25 THR HB 3.830 . 5.300 3.125 3.000 3.498 . 0 0 "[ . 1 . 2]" 1
155 1 25 THR HB 1 25 THR MG 2.980 . 4.090 2.171 2.156 2.189 . 0 0 "[ . 1 . 2]" 1
156 1 25 THR HA 1 25 THR MG 3.020 . 4.160 3.203 2.397 3.310 . 0 0 "[ . 1 . 2]" 1
157 1 25 THR MG 1 77 LYS HE2 4.160 . 5.300 5.344 4.692 6.248 0.948 10 1 "[ . + . 2]" 1
158 1 25 THR H 1 25 THR MG 3.830 . 5.300 2.031 1.957 2.346 0.033 19 0 "[ . 1 . 2]" 1
159 1 26 ALA HA 1 29 GLY H 4.080 . 5.300 5.020 4.940 5.164 . 0 0 "[ . 1 . 2]" 1
160 1 4 LEU HB3 1 7 ASP HA 3.590 . 5.200 5.363 5.253 5.433 0.233 16 0 "[ . 1 . 2]" 1
161 1 26 ALA HA 1 26 ALA MB 2.890 . 3.940 2.100 2.067 2.141 . 0 0 "[ . 1 . 2]" 1
162 1 26 ALA MB 1 33 TYR HB2 3.590 . 5.200 3.954 3.750 4.279 . 0 0 "[ . 1 . 2]" 1
163 1 26 ALA MB 1 33 TYR QD 3.510 . 5.050 5.042 4.937 5.095 0.045 15 0 "[ . 1 . 2]" 1
164 1 27 THR HB 1 27 THR MG 2.890 . 3.940 2.172 2.148 2.204 . 0 0 "[ . 1 . 2]" 1
165 1 29 GLY HA2 1 30 THR HA 3.510 . 5.050 4.501 4.437 4.608 . 0 0 "[ . 1 . 2]" 1
166 1 30 THR HA 1 30 THR MG 2.890 . 3.940 2.224 2.087 2.373 . 0 0 "[ . 1 . 2]" 1
167 1 30 THR HB 1 30 THR MG 2.890 . 3.940 2.199 2.165 2.223 . 0 0 "[ . 1 . 2]" 1
168 1 70 THR MG 1 74 GLN HB3 2.940 . 4.020 3.340 2.779 3.625 . 0 0 "[ . 1 . 2]" 1
169 1 70 THR MG 1 76 SER HA 3.590 . 5.200 2.844 2.707 3.033 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU HG 1 49 GLY HA3 4.400 . 5.300 4.194 3.946 4.444 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU HG 1 49 GLY HA2 4.400 . 5.300 4.100 3.638 4.279 . 0 0 "[ . 1 . 2]" 1
172 1 35 TYR QD 1 49 GLY HA2 4.240 . 5.300 5.198 4.029 5.528 0.228 10 0 "[ . 1 . 2]" 1
173 1 49 GLY HA3 1 51 THR H 4.320 . 5.300 4.207 3.662 5.319 0.019 2 0 "[ . 1 . 2]" 1
174 1 32 PRO HA 1 33 TYR H 2.940 . 4.020 2.550 2.406 2.638 . 0 0 "[ . 1 . 2]" 1
175 1 25 THR H 1 32 PRO HA 4.080 . 5.300 5.002 4.736 5.354 0.054 5 0 "[ . 1 . 2]" 1
176 1 33 TYR HA 1 33 TYR QD 3.750 . 5.300 2.505 2.311 2.898 . 0 0 "[ . 1 . 2]" 1
177 1 33 TYR HA 1 33 TYR HB3 3.420 . 4.890 2.188 1.940 2.328 0.010 5 0 "[ . 1 . 2]" 1
178 1 33 TYR HB3 1 69 VAL MG1 4.000 . 5.300 1.977 1.949 2.031 0.051 18 0 "[ . 1 . 2]" 1
179 1 26 ALA MB 1 33 TYR HB3 4.000 . 5.300 3.804 3.620 3.983 . 0 0 "[ . 1 . 2]" 1
180 1 33 TYR H 1 33 TYR HB3 3.830 . 5.300 3.492 3.377 3.537 . 0 0 "[ . 1 . 2]" 1
181 1 34 THR HA 1 34 THR MG 3.340 . 4.740 3.292 3.281 3.311 . 0 0 "[ . 1 . 2]" 1
182 1 34 THR HA 1 35 TYR QD 3.910 . 5.300 3.843 3.729 4.053 . 0 0 "[ . 1 . 2]" 1
183 1 34 THR HB 1 34 THR MG 2.770 . 3.730 2.166 2.148 2.179 . 0 0 "[ . 1 . 2]" 1
184 1 35 TYR HA 1 35 TYR QB 3.670 . 5.300 2.150 2.118 2.209 . 0 0 "[ . 1 . 2]" 1
185 1 35 TYR QB 1 37 TRP HA 3.590 . 5.200 4.733 4.161 5.088 . 0 0 "[ . 1 . 2]" 1
186 1 34 THR H 1 35 TYR QB 4.000 . 5.300 4.419 4.240 5.165 . 0 0 "[ . 1 . 2]" 1
187 1 35 TYR QB 1 67 VAL MG2 3.830 . 5.300 2.598 2.345 3.331 . 0 0 "[ . 1 . 2]" 1
188 1 36 ALA HA 1 37 TRP HD1 4.160 . 5.300 3.521 2.961 3.987 . 0 0 "[ . 1 . 2]" 1
189 1 36 ALA HA 1 36 ALA MB 3.060 . 4.230 2.194 2.184 2.201 . 0 0 "[ . 1 . 2]" 1
190 1 36 ALA MB 1 68 THR HB 3.100 . 4.300 2.335 1.950 3.633 . 0 0 "[ . 1 . 2]" 1
191 1 36 ALA MB 1 67 VAL MG2 4.080 . 5.300 4.168 3.922 4.442 . 0 0 "[ . 1 . 2]" 1
192 1 37 TRP HA 1 37 TRP HE3 4.000 . 5.300 3.574 2.974 3.973 . 0 0 "[ . 1 . 2]" 1
193 1 37 TRP HA 1 67 VAL HB 4.080 . 5.300 3.067 2.556 4.468 . 0 0 "[ . 1 . 2]" 1
194 1 37 TRP HA 1 67 VAL MG2 3.910 . 5.300 2.413 1.985 2.903 0.015 12 0 "[ . 1 . 2]" 1
195 1 37 TRP HA 1 37 TRP QB 3.510 . 5.050 2.408 2.334 2.509 . 0 0 "[ . 1 . 2]" 1
196 1 37 TRP QB 1 44 ILE QG 3.910 . 5.300 1.958 1.828 2.301 0.172 20 0 "[ . 1 . 2]" 1
197 1 22 LEU QD 1 37 TRP QB 3.510 . 5.050 2.612 1.842 3.552 0.128 16 0 "[ . 1 . 2]" 1
198 1 38 THR HA 1 44 ILE MG 3.340 . 4.740 2.114 1.917 2.339 0.023 17 0 "[ . 1 . 2]" 1
199 1 38 THR HB 1 42 SER H 4.000 . 5.300 5.326 4.800 5.418 0.118 12 0 "[ . 1 . 2]" 1
200 1 38 THR HB 1 38 THR MG 2.890 . 3.940 2.143 2.090 2.198 . 0 0 "[ . 1 . 2]" 1
201 1 38 THR HA 1 38 THR MG 2.940 . 4.020 2.096 2.030 2.238 . 0 0 "[ . 1 . 2]" 1
202 1 38 THR MG 1 43 PRO HA 2.940 . 4.020 3.607 2.840 4.105 0.085 1 0 "[ . 1 . 2]" 1
203 1 38 THR MG 1 39 LYS H 3.260 . 4.590 2.590 1.989 3.592 . 0 0 "[ . 1 . 2]" 1
204 1 38 THR H 1 38 THR MG 3.670 . 5.300 3.951 3.655 4.108 . 0 0 "[ . 1 . 2]" 1
205 1 39 LYS HA 1 39 LYS QB 3.100 . 4.300 2.050 1.959 2.176 . 0 0 "[ . 1 . 2]" 1
206 1 39 LYS HA 1 64 SER H 3.340 . 4.740 4.410 4.255 4.577 . 0 0 "[ . 1 . 2]" 1
207 1 39 LYS HA 1 40 ASP H 3.510 . 5.050 2.064 1.947 2.221 0.023 2 0 "[ . 1 . 2]" 1
208 1 39 LYS QB 1 44 ILE MD 4.080 . 5.300 4.946 4.410 5.282 . 0 0 "[ . 1 . 2]" 1
209 1 39 LYS HA 1 39 LYS QB 4.240 . 5.300 2.270 2.114 2.522 . 0 0 "[ . 1 . 2]" 1
210 1 39 LYS H 1 39 LYS QB 4.400 . 5.300 2.739 2.228 3.251 . 0 0 "[ . 1 . 2]" 1
211 1 7 ASP QB 1 21 THR MG 3.590 . 5.200 5.255 5.033 5.334 0.134 12 0 "[ . 1 . 2]" 1
212 1 90 VAL HB 1 91 PRO HD2 4.000 . 5.300 4.462 3.853 4.695 . 0 0 "[ . 1 . 2]" 1
213 1 8 LEU QD 1 66 LYS HA 3.260 . 4.590 3.915 3.511 4.506 . 0 0 "[ . 1 . 2]" 1
214 1 66 LYS HA 1 67 VAL MG1 4.080 . 5.300 3.713 3.296 4.912 . 0 0 "[ . 1 . 2]" 1
215 1 40 ASP HA 1 41 GLY HA3 3.830 . 5.300 4.117 3.814 4.180 . 0 0 "[ . 1 . 2]" 1
216 1 40 ASP HA 1 41 GLY H 2.940 . 4.020 1.835 1.793 1.859 0.067 16 0 "[ . 1 . 2]" 1
217 1 40 ASP HA 1 64 SER H 3.910 . 5.300 3.681 3.497 3.873 . 0 0 "[ . 1 . 2]" 1
218 1 38 THR MG 1 42 SER HA 4.080 . 5.300 5.151 4.684 5.419 0.119 16 0 "[ . 1 . 2]" 1
219 1 16 GLU H 1 16 GLU HB2 3.510 . 5.050 3.781 3.706 3.891 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLU H 1 16 GLU HB3 3.420 . 4.890 3.241 2.783 3.575 . 0 0 "[ . 1 . 2]" 1
221 1 25 THR H 1 32 PRO HB3 3.750 . 5.300 4.590 4.348 5.316 0.016 17 0 "[ . 1 . 2]" 1
222 1 38 THR MG 1 43 PRO HA 3.260 . 4.590 3.081 2.735 3.397 . 0 0 "[ . 1 . 2]" 1
223 1 43 PRO HA 1 44 ILE QG 4.000 . 5.300 5.029 4.978 5.097 . 0 0 "[ . 1 . 2]" 1
224 1 43 PRO HB3 1 44 ILE H 4.320 . 5.300 4.159 3.596 4.476 . 0 0 "[ . 1 . 2]" 1
225 1 38 THR MG 1 43 PRO HB2 3.910 . 5.300 4.569 4.199 4.739 . 0 0 "[ . 1 . 2]" 1
226 1 37 TRP QB 1 44 ILE HB 3.830 . 5.300 3.495 2.730 3.844 . 0 0 "[ . 1 . 2]" 1
227 1 44 ILE MD 1 44 ILE MG 2.850 . 3.870 2.447 2.176 2.700 . 0 0 "[ . 1 . 2]" 1
228 1 22 LEU HG 1 24 VAL MG2 2.690 . 3.600 3.031 2.196 3.321 . 0 0 "[ . 1 . 2]" 1
229 1 44 ILE HB 1 44 ILE MG 3.060 . 4.230 2.126 2.081 2.167 . 0 0 "[ . 1 . 2]" 1
230 1 44 ILE MG 1 45 PRO HG2 3.750 . 5.300 5.205 4.913 5.400 0.100 17 0 "[ . 1 . 2]" 1
231 1 37 TRP QB 1 44 ILE MG 3.590 . 5.200 2.580 2.110 2.997 . 0 0 "[ . 1 . 2]" 1
232 1 44 ILE MG 1 45 PRO HD2 3.590 . 5.200 3.446 3.058 3.785 . 0 0 "[ . 1 . 2]" 1
233 1 44 ILE HA 1 44 ILE MG 3.020 . 4.160 2.334 2.230 2.600 . 0 0 "[ . 1 . 2]" 1
234 1 24 VAL MG2 1 52 TYR QE 3.260 . 4.590 4.533 4.271 4.663 0.073 17 0 "[ . 1 . 2]" 1
235 1 24 VAL MG2 1 47 ALA H 3.590 . 5.200 4.659 4.509 4.825 . 0 0 "[ . 1 . 2]" 1
236 1 44 ILE HB 1 44 ILE MD 3.420 . 4.890 3.161 2.096 3.373 . 0 0 "[ . 1 . 2]" 1
237 1 37 TRP QB 1 44 ILE MD 2.850 . 3.870 2.647 1.843 3.659 . 0 0 "[ . 1 . 2]" 1
238 1 44 ILE HA 1 44 ILE MD 3.590 . 5.200 3.584 3.301 3.821 . 0 0 "[ . 1 . 2]" 1
239 1 38 THR HA 1 44 ILE MD 3.830 . 5.300 3.313 2.682 4.762 . 0 0 "[ . 1 . 2]" 1
240 1 44 ILE MD 1 46 ASP H 3.910 . 5.300 4.351 3.114 5.329 0.029 14 0 "[ . 1 . 2]" 1
241 1 45 PRO HA 1 46 ASP H 3.340 . 4.740 2.736 2.131 3.606 . 0 0 "[ . 1 . 2]" 1
242 1 45 PRO HA 1 47 ALA H 4.320 . 5.300 4.869 4.554 5.393 0.093 17 0 "[ . 1 . 2]" 1
243 1 45 PRO HB2 1 46 ASP HB2 4.160 . 5.300 4.124 3.239 4.580 . 0 0 "[ . 1 . 2]" 1
244 1 45 PRO HB3 1 46 ASP HB2 4.160 . 5.300 5.189 4.480 5.370 0.070 9 0 "[ . 1 . 2]" 1
245 1 45 PRO HB2 1 45 PRO HD2 3.590 . 5.200 3.761 2.708 4.208 . 0 0 "[ . 1 . 2]" 1
246 1 45 PRO HB2 1 45 PRO HD2 3.750 . 5.300 3.391 2.673 3.719 . 0 0 "[ . 1 . 2]" 1
247 1 45 PRO HD2 1 45 PRO HG2 2.850 . 3.870 2.128 2.007 2.214 . 0 0 "[ . 1 . 2]" 1
248 1 88 PRO HD3 1 88 PRO HG3 2.850 . 3.870 2.373 2.349 2.391 . 0 0 "[ . 1 . 2]" 1
249 1 87 ASN HA 1 88 PRO HD2 3.060 . 4.230 2.372 2.222 2.920 . 0 0 "[ . 1 . 2]" 1
250 1 45 PRO HA 1 45 PRO HG3 3.670 . 5.300 3.795 2.886 4.209 . 0 0 "[ . 1 . 2]" 1
251 1 45 PRO HA 1 45 PRO HG2 3.670 . 5.300 4.037 3.801 4.153 . 0 0 "[ . 1 . 2]" 1
252 1 45 PRO HG2 1 53 THR HA 3.670 . 5.300 5.454 5.355 5.517 0.217 18 0 "[ . 1 . 2]" 1
253 1 39 LYS H 1 39 LYS HA 2.850 . 3.870 2.202 2.079 2.245 . 0 0 "[ . 1 . 2]" 1
254 1 46 ASP HA 1 46 ASP HB2 2.810 . 3.800 2.790 2.521 3.109 . 0 0 "[ . 1 . 2]" 1
255 1 46 ASP H 1 46 ASP HB2 3.670 . 5.300 3.259 2.357 3.732 . 0 0 "[ . 1 . 2]" 1
256 1 47 ALA HA 1 48 SER HA 3.590 . 5.200 4.462 4.033 4.820 . 0 0 "[ . 1 . 2]" 1
257 1 35 TYR QB 1 48 SER HA 3.830 . 5.300 4.468 3.539 5.108 . 0 0 "[ . 1 . 2]" 1
258 1 47 ALA MB 1 48 SER HA 4.000 . 5.300 3.747 3.525 4.025 . 0 0 "[ . 1 . 2]" 1
259 1 37 TRP HD1 1 48 SER HA 4.000 . 5.300 3.619 2.322 4.797 . 0 0 "[ . 1 . 2]" 1
260 1 47 ALA HA 1 48 SER HB2 3.670 . 5.300 4.676 4.356 5.274 . 0 0 "[ . 1 . 2]" 1
261 1 47 ALA HA 1 48 SER HB3 4.080 . 5.300 5.342 5.115 5.530 0.230 9 0 "[ . 1 . 2]" 1
262 1 24 VAL MG2 1 50 ALA HA 3.590 . 5.200 2.197 1.992 2.521 . 0 0 "[ . 1 . 2]" 1
263 1 50 ALA HA 1 50 ALA MB 2.850 . 3.870 2.139 2.062 2.187 . 0 0 "[ . 1 . 2]" 1
264 1 33 TYR HB2 1 50 ALA MB 3.830 . 5.300 5.306 4.730 5.405 0.105 2 0 "[ . 1 . 2]" 1
265 1 32 PRO HB2 1 50 ALA MB 4.000 . 5.300 5.394 5.309 5.440 0.140 11 0 "[ . 1 . 2]" 1
266 1 23 SER HA 1 50 ALA MB 4.160 . 5.300 4.735 4.549 4.889 . 0 0 "[ . 1 . 2]" 1
267 1 35 TYR QD 1 47 ALA MB 3.750 . 5.300 4.072 3.313 4.413 . 0 0 "[ . 1 . 2]" 1
268 1 24 VAL H 1 50 ALA MB 3.590 . 5.200 3.540 3.191 3.672 . 0 0 "[ . 1 . 2]" 1
269 1 26 ALA H 1 50 ALA MB 4.000 . 5.300 2.685 2.265 3.561 . 0 0 "[ . 1 . 2]" 1
270 1 51 THR HA 1 52 TYR HB3 3.910 . 5.300 4.944 4.682 5.365 0.065 9 0 "[ . 1 . 2]" 1
271 1 23 SER HA 1 51 THR HA 3.340 . 4.740 2.208 2.097 2.476 . 0 0 "[ . 1 . 2]" 1
272 1 24 VAL HA 1 51 THR HB 3.910 . 5.300 5.349 5.296 5.376 0.076 3 0 "[ . 1 . 2]" 1
273 1 51 THR HB 1 51 THR MG 2.770 . 3.730 2.181 2.170 2.195 . 0 0 "[ . 1 . 2]" 1
274 1 51 THR HA 1 51 THR MG 3.180 . 4.440 3.260 3.232 3.286 . 0 0 "[ . 1 . 2]" 1
275 1 23 SER HA 1 51 THR MG 3.750 . 5.300 4.383 4.153 4.587 . 0 0 "[ . 1 . 2]" 1
276 1 52 TYR HB2 1 54 LYS QD 4.160 . 5.300 4.234 3.178 4.971 . 0 0 "[ . 1 . 2]" 1
277 1 22 LEU HB3 1 52 TYR HB3 3.670 . 5.300 5.227 4.292 5.872 0.572 20 2 "[ . - 1 . +]" 1
278 1 53 THR HA 1 53 THR MG 3.420 . 4.890 2.550 2.360 2.697 . 0 0 "[ . 1 . 2]" 1
279 1 53 THR HA 1 54 LYS QD 4.160 . 5.300 4.436 3.577 5.125 . 0 0 "[ . 1 . 2]" 1
280 1 52 TYR HA 1 53 THR HB 4.240 . 5.300 4.683 4.434 4.892 . 0 0 "[ . 1 . 2]" 1
281 1 53 THR HB 1 54 LYS H 4.000 . 5.300 4.010 3.890 4.154 . 0 0 "[ . 1 . 2]" 1
282 1 53 THR HB 1 53 THR MG 2.810 . 3.800 2.213 2.190 2.226 . 0 0 "[ . 1 . 2]" 1
283 1 53 THR MG 1 55 PRO HB3 2.940 . 4.020 3.765 3.115 4.026 0.006 10 0 "[ . 1 . 2]" 1
284 1 20 LEU HA 1 53 THR MG 3.100 . 4.300 4.456 4.397 4.513 0.213 14 0 "[ . 1 . 2]" 1
285 1 20 LEU H 1 53 THR MG 3.340 . 4.740 3.592 3.378 3.858 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU QD 1 54 LYS HB2 3.420 . 4.890 2.329 2.001 3.087 . 0 0 "[ . 1 . 2]" 1
287 1 20 LEU QD 1 54 LYS HB3 3.910 . 5.300 2.243 1.856 3.320 0.144 7 0 "[ . 1 . 2]" 1
288 1 54 LYS HB3 1 54 LYS QE 4.320 . 5.300 3.922 3.238 4.175 . 0 0 "[ . 1 . 2]" 1
289 1 54 LYS H 1 54 LYS HB2 4.000 . 5.300 2.510 2.221 3.009 . 0 0 "[ . 1 . 2]" 1
290 1 20 LEU QD 1 54 LYS HG3 4.320 . 5.300 3.150 2.786 3.597 . 0 0 "[ . 1 . 2]" 1
291 1 54 LYS HG3 1 61 ASP HA 3.830 . 5.300 5.423 5.335 5.498 0.198 1 0 "[ . 1 . 2]" 1
292 1 54 LYS HG2 1 61 ASP HA 3.830 . 5.300 4.934 4.368 5.419 0.119 11 0 "[ . 1 . 2]" 1
293 1 54 LYS HB2 1 54 LYS QE 3.180 . 4.440 3.691 2.763 4.153 . 0 0 "[ . 1 . 2]" 1
294 1 54 LYS QE 1 54 LYS HG2 3.710 . 5.300 3.584 2.581 3.680 . 0 0 "[ . 1 . 2]" 1
295 1 54 LYS QE 1 54 LYS HG3 3.510 . 5.050 3.237 2.670 3.470 . 0 0 "[ . 1 . 2]" 1
296 1 55 PRO HA 1 56 THR H 3.590 . 5.200 3.469 3.407 3.569 . 0 0 "[ . 1 . 2]" 1
297 1 53 THR MG 1 55 PRO HA 3.670 . 5.300 3.380 3.027 3.612 . 0 0 "[ . 1 . 2]" 1
298 1 19 ALA MB 1 55 PRO HB2 4.000 . 5.300 5.351 5.213 5.451 0.151 18 0 "[ . 1 . 2]" 1
299 1 19 ALA MB 1 55 PRO HB3 3.750 . 5.300 4.897 4.424 5.140 . 0 0 "[ . 1 . 2]" 1
300 1 55 PRO HB2 1 55 PRO HD2 3.910 . 5.300 3.915 2.972 4.241 . 0 0 "[ . 1 . 2]" 1
301 1 55 PRO HB2 1 56 THR H 4.320 . 5.300 3.559 2.861 3.882 . 0 0 "[ . 1 . 2]" 1
302 1 43 PRO HG2 1 44 ILE MG 3.670 . 5.300 5.187 4.971 5.328 0.028 14 0 "[ . 1 . 2]" 1
303 1 55 PRO HG3 1 56 THR H 3.910 . 5.300 4.344 3.758 4.745 . 0 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 43 PRO HG2 4.400 . 5.300 5.358 4.703 5.457 0.157 16 0 "[ . 1 . 2]" 1
305 1 55 PRO HD2 1 55 PRO HG3 2.850 . 3.870 2.894 2.766 3.100 . 0 0 "[ . 1 . 2]" 1
306 1 54 LYS HG3 1 55 PRO HD2 4.160 . 5.300 4.441 3.943 5.201 . 0 0 "[ . 1 . 2]" 1
307 1 53 THR MG 1 55 PRO HD2 4.160 . 5.300 4.468 4.055 4.696 . 0 0 "[ . 1 . 2]" 1
308 1 54 LYS HA 1 55 PRO HD2 3.100 . 4.300 2.165 1.900 2.598 0.000 15 0 "[ . 1 . 2]" 1
309 1 55 PRO HD2 1 56 THR H 4.000 . 5.300 2.533 2.261 2.820 . 0 0 "[ . 1 . 2]" 1
310 1 56 THR HA 1 56 THR MG 3.180 . 4.440 2.766 2.578 2.931 . 0 0 "[ . 1 . 2]" 1
311 1 19 ALA HA 1 56 THR HA 3.590 . 5.200 3.967 3.840 4.019 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLY HA3 1 56 THR HB 3.590 . 5.200 5.212 5.128 5.229 0.029 1 0 "[ . 1 . 2]" 1
313 1 17 GLY HA2 1 56 THR HB 3.420 . 4.890 4.062 3.921 4.211 . 0 0 "[ . 1 . 2]" 1
314 1 80 THR HB 1 82 CYS HA 3.590 . 5.200 5.278 5.153 5.329 0.129 13 0 "[ . 1 . 2]" 1
315 1 56 THR H 1 56 THR HB 3.510 . 5.050 2.841 2.610 3.056 . 0 0 "[ . 1 . 2]" 1
316 1 80 THR HB 1 81 THR H 4.160 . 5.300 3.794 3.635 4.004 . 0 0 "[ . 1 . 2]" 1
317 1 56 THR HB 1 57 ALA H 3.750 . 5.300 4.539 4.459 4.687 . 0 0 "[ . 1 . 2]" 1
318 1 80 THR H 1 80 THR HB 3.510 . 5.050 2.710 2.551 2.855 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLU HB2 1 56 THR MG 3.020 . 4.160 4.251 4.207 4.288 0.128 11 0 "[ . 1 . 2]" 1
320 1 55 PRO HB2 1 56 THR MG 3.590 . 5.200 5.265 5.203 5.312 0.112 4 0 "[ . 1 . 2]" 1
321 1 17 GLY HA3 1 56 THR MG 3.420 . 4.890 2.639 2.300 3.098 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLY HA2 1 56 THR MG 3.550 . 5.120 1.992 1.955 2.044 0.025 6 0 "[ . 1 . 2]" 1
323 1 56 THR H 1 56 THR MG 3.420 . 4.890 3.901 3.703 4.058 . 0 0 "[ . 1 . 2]" 1
324 1 56 THR MG 1 57 ALA H 3.590 . 5.200 3.528 3.379 3.695 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLY H 1 56 THR MG 4.160 . 5.300 3.788 3.540 3.948 . 0 0 "[ . 1 . 2]" 1
326 1 57 ALA MB 1 84 VAL QG 2.690 . 3.600 3.075 2.497 3.477 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU HB2 1 57 ALA MB 2.940 . 4.020 3.810 3.093 4.322 0.302 19 0 "[ . 1 . 2]" 1
328 1 45 PRO HG3 1 57 ALA MB 3.590 . 5.200 5.277 5.032 5.380 0.180 10 0 "[ . 1 . 2]" 1
329 1 57 ALA MB 1 61 ASP HB3 3.830 . 5.300 2.210 1.983 2.442 0.007 16 0 "[ . 1 . 2]" 1
330 1 57 ALA MB 1 61 ASP HB2 3.750 . 5.300 2.201 1.973 2.478 0.017 11 0 "[ . 1 . 2]" 1
331 1 16 GLU HA 1 57 ALA MB 3.260 . 4.590 4.648 4.576 4.719 0.129 17 0 "[ . 1 . 2]" 1
332 1 56 THR HA 1 57 ALA MB 3.590 . 5.200 3.860 3.689 4.083 . 0 0 "[ . 1 . 2]" 1
333 1 57 ALA HA 1 57 ALA MB 2.850 . 3.870 2.162 2.111 2.194 . 0 0 "[ . 1 . 2]" 1
334 1 57 ALA MB 1 58 ALA HA 3.750 . 5.300 4.492 4.370 4.646 . 0 0 "[ . 1 . 2]" 1
335 1 57 ALA MB 1 61 ASP H 3.340 . 4.740 4.275 4.096 4.514 . 0 0 "[ . 1 . 2]" 1
336 1 58 ALA HA 1 58 ALA MB 3.100 . 4.300 2.179 2.165 2.196 . 0 0 "[ . 1 . 2]" 1
337 1 57 ALA HA 1 58 ALA MB 3.420 . 4.890 3.989 3.934 4.068 . 0 0 "[ . 1 . 2]" 1
338 1 58 ALA MB 1 59 ALA HA 4.000 . 5.300 4.447 4.371 4.511 . 0 0 "[ . 1 . 2]" 1
339 1 58 ALA MB 1 60 GLU HG3 3.180 . 4.440 4.200 3.689 4.467 0.027 13 0 "[ . 1 . 2]" 1
340 1 58 ALA MB 1 59 ALA H 2.850 . 3.870 2.355 2.210 2.499 . 0 0 "[ . 1 . 2]" 1
341 1 11 SER HA 1 83 ALA MB 3.100 . 4.300 2.929 2.312 3.110 . 0 0 "[ . 1 . 2]" 1
342 1 12 MET H 1 59 ALA MB 3.590 . 5.200 3.800 3.598 3.941 . 0 0 "[ . 1 . 2]" 1
343 1 59 ALA H 1 59 ALA MB 2.690 . 3.600 2.198 2.183 2.223 . 0 0 "[ . 1 . 2]" 1
344 1 59 ALA MB 1 60 GLU HA 3.630 . 5.280 4.067 4.021 4.149 . 0 0 "[ . 1 . 2]" 1
345 1 60 GLU HA 1 62 ALA H 3.750 . 5.300 3.943 3.672 4.238 . 0 0 "[ . 1 . 2]" 1
346 1 60 GLU HA 1 60 GLU HB3 2.850 . 3.870 2.421 2.290 2.461 . 0 0 "[ . 1 . 2]" 1
347 1 58 ALA MB 1 60 GLU HG3 3.510 . 5.050 3.448 2.958 4.025 . 0 0 "[ . 1 . 2]" 1
348 1 60 GLU HA 1 60 GLU HG3 3.510 . 5.050 3.569 3.218 3.866 . 0 0 "[ . 1 . 2]" 1
349 1 60 GLU H 1 60 GLU HG3 3.670 . 5.300 2.515 1.972 3.310 0.018 5 0 "[ . 1 . 2]" 1
350 1 20 LEU QD 1 61 ASP HB2 3.830 . 5.300 3.863 3.389 4.254 . 0 0 "[ . 1 . 2]" 1
351 1 62 ALA HA 1 65 TYR QE 4.160 . 5.300 4.303 2.928 5.310 0.010 15 0 "[ . 1 . 2]" 1
352 1 62 ALA HA 1 62 ALA MB 2.810 . 3.800 2.162 2.108 2.202 . 0 0 "[ . 1 . 2]" 1
353 1 62 ALA MB 1 84 VAL HB 3.670 . 5.300 4.638 3.368 5.336 0.036 9 0 "[ . 1 . 2]" 1
354 1 63 GLY HA3 1 66 LYS HE3 4.240 . 5.300 5.608 5.553 5.670 0.370 6 0 "[ . 1 . 2]" 1
355 1 63 GLY HA2 1 83 ALA HA 4.400 . 5.300 5.342 5.284 5.373 0.073 3 0 "[ . 1 . 2]" 1
356 1 64 SER HA 1 81 THR MG 3.670 . 5.300 3.619 3.233 4.459 . 0 0 "[ . 1 . 2]" 1
357 1 64 SER HA 1 83 ALA MB 3.830 . 5.300 3.566 3.425 3.710 . 0 0 "[ . 1 . 2]" 1
358 1 64 SER HA 1 65 TYR HB2 4.080 . 5.300 4.109 3.877 4.276 . 0 0 "[ . 1 . 2]" 1
359 1 64 SER HA 1 83 ALA HA 3.180 . 4.440 2.191 2.090 2.320 . 0 0 "[ . 1 . 2]" 1
360 1 64 SER HB3 1 83 ALA HA 3.910 . 5.300 2.909 2.630 4.194 . 0 0 "[ . 1 . 2]" 1
361 1 64 SER HB2 1 83 ALA HA 3.590 . 5.200 4.050 2.883 4.270 . 0 0 "[ . 1 . 2]" 1
362 1 64 SER HB2 1 81 THR MG 3.260 . 4.590 4.208 4.161 4.536 . 0 0 "[ . 1 . 2]" 1
363 1 64 SER HB3 1 81 THR MG 3.020 . 4.160 4.064 3.411 4.325 0.165 5 0 "[ . 1 . 2]" 1
364 1 64 SER HB3 1 66 LYS HD3 4.320 . 5.300 2.876 2.557 3.683 . 0 0 "[ . 1 . 2]" 1
365 1 64 SER HB2 1 83 ALA MB 4.400 . 5.300 3.884 2.643 4.060 . 0 0 "[ . 1 . 2]" 1
366 1 64 SER H 1 64 SER HB3 3.750 . 5.300 4.083 3.188 4.173 . 0 0 "[ . 1 . 2]" 1
367 1 39 LYS QB 1 65 TYR HA 4.160 . 5.300 2.088 1.871 3.243 0.129 13 0 "[ . 1 . 2]" 1
368 1 22 LEU QD 1 65 TYR HA 4.320 . 5.300 4.352 4.160 4.630 . 0 0 "[ . 1 . 2]" 1
369 1 39 LYS HA 1 65 TYR HA 3.790 . 5.300 2.149 1.981 2.354 0.009 1 0 "[ . 1 . 2]" 1
370 1 65 TYR HA 1 65 TYR QD 4.080 . 5.300 3.017 2.800 3.199 . 0 0 "[ . 1 . 2]" 1
371 1 22 LEU QD 1 65 TYR HB3 3.830 . 5.300 2.468 2.091 3.512 . 0 0 "[ . 1 . 2]" 1
372 1 22 LEU QD 1 65 TYR HB2 3.830 . 5.300 3.230 2.629 4.488 . 0 0 "[ . 1 . 2]" 1
373 1 65 TYR HB3 1 65 TYR QD 3.830 . 5.300 2.325 2.164 2.480 . 0 0 "[ . 1 . 2]" 1
374 1 65 TYR HB3 1 65 TYR QE 4.400 . 5.300 4.291 4.220 4.374 . 0 0 "[ . 1 . 2]" 1
375 1 65 TYR HB2 1 65 TYR QE 4.320 . 5.300 4.341 4.229 4.546 . 0 0 "[ . 1 . 2]" 1
376 1 65 TYR H 1 65 TYR HB3 4.160 . 5.300 3.443 3.327 3.546 . 0 0 "[ . 1 . 2]" 1
377 1 94 LEU HA 1 94 LEU MD1 3.590 . 5.200 3.826 2.921 4.131 . 0 0 "[ . 1 . 2]" 1
378 1 66 LYS HE3 1 66 LYS HG3 3.830 . 5.300 3.733 3.688 3.807 . 0 0 "[ . 1 . 2]" 1
379 1 66 LYS HE3 1 66 LYS HG2 4.400 . 5.300 3.976 3.947 4.009 . 0 0 "[ . 1 . 2]" 1
380 1 66 LYS HG2 1 67 VAL H 4.080 . 5.300 4.796 4.647 4.947 . 0 0 "[ . 1 . 2]" 1
381 1 66 LYS HD3 1 67 VAL H 4.400 . 5.300 5.590 5.536 5.651 0.351 15 0 "[ . 1 . 2]" 1
382 1 66 LYS HE2 1 66 LYS HG3 4.000 . 5.300 2.134 1.980 2.250 0.020 12 0 "[ . 1 . 2]" 1
383 1 66 LYS HB3 1 66 LYS HE2 3.590 . 5.200 4.894 4.840 4.942 . 0 0 "[ . 1 . 2]" 1
384 1 66 LYS HE2 1 83 ALA HA 4.400 . 5.300 5.380 5.348 5.422 0.122 12 0 "[ . 1 . 2]" 1
385 1 68 THR HB 1 69 VAL H 4.240 . 5.300 4.206 3.701 4.437 . 0 0 "[ . 1 . 2]" 1
386 1 68 THR HB 1 68 THR MG 2.810 . 3.800 2.203 2.171 2.221 . 0 0 "[ . 1 . 2]" 1
387 1 68 THR MG 1 78 ASP HB2 3.670 . 5.300 4.244 2.798 5.351 0.051 6 0 "[ . 1 . 2]" 1
388 1 27 THR MG 1 32 PRO HG3 3.590 . 5.200 4.463 2.694 5.283 0.083 4 0 "[ . 1 . 2]" 1
389 1 68 THR HA 1 68 THR MG 2.770 . 3.730 2.241 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
390 1 68 THR H 1 68 THR MG 3.260 . 4.590 3.784 3.182 3.943 . 0 0 "[ . 1 . 2]" 1
391 1 34 THR H 1 69 VAL HB 3.670 . 5.300 3.099 3.012 3.252 . 0 0 "[ . 1 . 2]" 1
392 1 67 VAL MG2 1 69 VAL MG2 3.510 . 5.050 2.079 1.931 3.421 0.039 8 0 "[ . 1 . 2]" 1
393 1 69 VAL HB 1 69 VAL MG2 2.980 . 4.090 2.160 2.149 2.171 . 0 0 "[ . 1 . 2]" 1
394 1 33 TYR HB2 1 69 VAL MG2 3.510 . 5.050 4.306 3.931 4.698 . 0 0 "[ . 1 . 2]" 1
395 1 69 VAL HA 1 69 VAL MG2 3.260 . 4.590 3.046 2.927 3.123 . 0 0 "[ . 1 . 2]" 1
396 1 35 TYR QD 1 69 VAL MG2 3.260 . 4.590 4.663 4.531 4.778 0.188 20 0 "[ . 1 . 2]" 1
397 1 25 THR H 1 69 VAL MG2 3.670 . 5.300 4.382 4.120 4.463 . 0 0 "[ . 1 . 2]" 1
398 1 69 VAL MG1 1 69 VAL MG2 2.530 . 3.330 1.988 1.882 2.064 . 0 0 "[ . 1 . 2]" 1
399 1 69 VAL HB 1 69 VAL MG1 3.220 . 4.520 2.223 2.177 2.285 . 0 0 "[ . 1 . 2]" 1
400 1 33 TYR HB2 1 69 VAL MG1 3.590 . 5.200 2.409 2.166 2.612 . 0 0 "[ . 1 . 2]" 1
401 1 69 VAL HA 1 69 VAL MG1 3.340 . 4.740 1.988 1.961 2.035 . 0 0 "[ . 1 . 2]" 1
402 1 69 VAL MG1 1 78 ASP HA 3.750 . 5.300 5.366 5.142 5.423 0.123 1 0 "[ . 1 . 2]" 1
403 1 69 VAL MG1 1 70 THR HB 4.080 . 5.300 5.411 5.350 5.469 0.169 5 0 "[ . 1 . 2]" 1
404 1 33 TYR QD 1 69 VAL MG1 3.340 . 4.740 3.348 3.035 3.562 . 0 0 "[ . 1 . 2]" 1
405 1 34 THR H 1 69 VAL MG1 3.260 . 4.590 3.232 3.162 3.318 . 0 0 "[ . 1 . 2]" 1
406 1 35 TYR H 1 69 VAL MG1 4.160 . 5.300 4.165 3.737 4.537 . 0 0 "[ . 1 . 2]" 1
407 1 29 GLY HA3 1 70 THR HB 4.160 . 5.300 4.103 3.795 4.420 . 0 0 "[ . 1 . 2]" 1
408 1 68 THR HB 1 69 VAL HA 4.000 . 5.300 4.317 4.242 4.413 . 0 0 "[ . 1 . 2]" 1
409 1 70 THR HB 1 75 VAL H 3.830 . 5.300 5.401 5.376 5.465 0.165 5 0 "[ . 1 . 2]" 1
410 1 70 THR HA 1 70 THR MG 3.260 . 4.590 2.425 2.337 2.509 . 0 0 "[ . 1 . 2]" 1
411 1 70 THR HB 1 70 THR MG 2.770 . 3.730 2.206 2.183 2.223 . 0 0 "[ . 1 . 2]" 1
412 1 70 THR MG 1 75 VAL HB 3.100 . 4.300 4.498 4.487 4.515 0.215 8 0 "[ . 1 . 2]" 1
413 1 30 THR MG 1 72 SER H 2.850 . 3.870 3.932 3.850 4.053 0.183 18 0 "[ . 1 . 2]" 1
414 1 70 THR H 1 70 THR MG 3.590 . 5.200 3.966 3.922 4.025 . 0 0 "[ . 1 . 2]" 1
415 1 33 TYR QD 1 71 ASP HA 3.590 . 5.200 3.655 3.519 3.971 . 0 0 "[ . 1 . 2]" 1
416 1 33 TYR H 1 71 ASP HB3 3.590 . 5.200 3.215 2.954 3.317 . 0 0 "[ . 1 . 2]" 1
417 1 72 SER HA 1 74 GLN H 4.160 . 5.300 3.088 2.972 3.238 . 0 0 "[ . 1 . 2]" 1
418 1 72 SER HA 1 72 SER HB2 2.990 . 4.110 2.586 2.488 2.677 . 0 0 "[ . 1 . 2]" 1
419 1 30 THR MG 1 72 SER HB2 4.000 . 5.300 3.799 3.138 4.763 . 0 0 "[ . 1 . 2]" 1
420 1 73 LYS HB2 1 75 VAL MG2 3.830 . 5.300 2.047 1.978 3.030 0.012 7 0 "[ . 1 . 2]" 1
421 1 73 LYS HB3 1 75 VAL MG2 3.750 . 5.300 3.381 2.000 3.510 . 0 0 "[ . 1 . 2]" 1
422 1 73 LYS H 1 73 LYS HB2 4.000 . 5.300 2.844 2.742 2.935 . 0 0 "[ . 1 . 2]" 1
423 1 73 LYS H 1 73 LYS HB3 3.750 . 5.300 3.871 2.904 3.987 . 0 0 "[ . 1 . 2]" 1
424 1 73 LYS H 1 73 LYS HG3 4.320 . 5.300 3.649 2.507 4.688 . 0 0 "[ . 1 . 2]" 1
425 1 70 THR MG 1 74 GLN HA 3.020 . 4.160 2.503 2.405 2.727 . 0 0 "[ . 1 . 2]" 1
426 1 70 THR MG 1 74 GLN HB3 4.320 . 5.300 3.815 3.516 4.247 . 0 0 "[ . 1 . 2]" 1
427 1 70 THR MG 1 74 GLN HG3 3.830 . 5.300 4.203 2.821 5.304 0.004 5 0 "[ . 1 . 2]" 1
428 1 74 GLN HA 1 74 GLN HG3 3.420 . 4.890 3.169 2.569 3.655 . 0 0 "[ . 1 . 2]" 1
429 1 74 GLN H 1 74 GLN HG3 4.080 . 5.300 4.462 4.228 4.623 . 0 0 "[ . 1 . 2]" 1
430 1 75 VAL HA 1 75 VAL MG1 2.810 . 3.800 2.250 2.204 2.296 . 0 0 "[ . 1 . 2]" 1
431 1 24 VAL H 1 24 VAL MG1 2.940 . 4.020 3.223 3.146 3.271 . 0 0 "[ . 1 . 2]" 1
432 1 70 THR HA 1 76 SER HA 3.300 . 4.660 1.988 1.919 2.052 0.021 17 0 "[ . 1 . 2]" 1
433 1 68 THR MG 1 76 SER HA 3.790 . 5.300 4.050 3.517 5.308 0.008 11 0 "[ . 1 . 2]" 1
434 1 75 VAL HA 1 76 SER HB3 4.160 . 5.300 5.283 4.838 5.390 0.090 12 0 "[ . 1 . 2]" 1
435 1 75 VAL HA 1 76 SER HB2 4.080 . 5.300 5.118 4.692 5.384 0.084 8 0 "[ . 1 . 2]" 1
436 1 68 THR HA 1 76 SER HB3 4.160 . 5.300 4.925 4.556 5.345 0.045 8 0 "[ . 1 . 2]" 1
437 1 68 THR HA 1 76 SER HB2 4.160 . 5.300 5.168 4.325 5.409 0.109 14 0 "[ . 1 . 2]" 1
438 1 70 THR HA 1 76 SER HB3 4.400 . 5.300 3.881 3.507 4.898 . 0 0 "[ . 1 . 2]" 1
439 1 70 THR HA 1 76 SER HB2 4.400 . 5.300 4.859 4.009 5.063 . 0 0 "[ . 1 . 2]" 1
440 1 68 THR MG 1 76 SER HB3 3.340 . 4.740 2.727 2.180 4.415 . 0 0 "[ . 1 . 2]" 1
441 1 68 THR MG 1 76 SER HB2 3.340 . 4.740 3.061 2.323 4.517 . 0 0 "[ . 1 . 2]" 1
442 1 69 VAL HB 1 77 LYS HB3 3.830 . 5.300 4.609 3.377 5.079 . 0 0 "[ . 1 . 2]" 1
443 1 69 VAL HB 1 77 LYS HB2 3.590 . 5.200 5.333 5.049 5.401 0.201 10 0 "[ . 1 . 2]" 1
444 1 77 LYS H 1 77 LYS HB2 4.080 . 5.300 3.671 3.038 3.813 . 0 0 "[ . 1 . 2]" 1
445 1 77 LYS HD2 1 77 LYS HG3 2.850 . 3.870 2.502 2.326 3.112 . 0 0 "[ . 1 . 2]" 1
446 1 77 LYS HG3 1 79 SER QB 4.000 . 5.300 5.152 4.457 5.784 0.484 17 0 "[ . 1 . 2]" 1
447 1 77 LYS HA 1 77 LYS HG3 3.180 . 4.440 3.826 2.846 3.962 . 0 0 "[ . 1 . 2]" 1
448 1 77 LYS HA 1 77 LYS HD3 3.670 . 5.300 4.261 4.096 4.680 . 0 0 "[ . 1 . 2]" 1
449 1 73 LYS HA 1 73 LYS HG3 3.300 . 4.660 3.227 2.327 3.903 . 0 0 "[ . 1 . 2]" 1
450 1 77 LYS HD2 1 78 ASP H 4.320 . 5.300 2.970 2.462 4.602 . 0 0 "[ . 1 . 2]" 1
451 1 77 LYS HE2 1 77 LYS HG3 3.260 . 4.590 2.828 2.554 3.892 . 0 0 "[ . 1 . 2]" 1
452 1 65 TYR HB2 1 81 THR HA 3.420 . 4.890 4.670 4.448 4.819 . 0 0 "[ . 1 . 2]" 1
453 1 24 VAL HA 1 77 LYS HE2 3.830 . 5.300 5.339 5.081 6.003 0.703 3 1 "[ + . 1 . 2]" 1
454 1 25 THR H 1 77 LYS HE2 4.160 . 5.300 4.832 4.527 5.118 . 0 0 "[ . 1 . 2]" 1
455 1 68 THR MG 1 78 ASP HA 3.670 . 5.300 3.952 3.461 4.526 . 0 0 "[ . 1 . 2]" 1
456 1 77 LYS HD2 1 79 SER HA 4.000 . 5.300 4.374 3.779 5.311 0.011 7 0 "[ . 1 . 2]" 1
457 1 67 VAL MG1 1 79 SER HA 4.160 . 5.300 4.239 3.904 4.693 . 0 0 "[ . 1 . 2]" 1
458 1 79 SER HA 1 79 SER QB 3.380 . 4.810 2.090 2.023 2.388 . 0 0 "[ . 1 . 2]" 1
459 1 67 VAL MG1 1 79 SER QB 3.830 . 5.300 3.042 1.867 3.394 0.123 1 0 "[ . 1 . 2]" 1
460 1 77 LYS HD2 1 79 SER QB 4.240 . 5.300 3.341 3.016 4.380 . 0 0 "[ . 1 . 2]" 1
461 1 69 VAL MG2 1 79 SER QB 4.000 . 5.300 3.487 2.886 4.351 . 0 0 "[ . 1 . 2]" 1
462 1 79 SER QB 1 80 THR MG 4.320 . 5.300 5.124 5.055 5.185 . 0 0 "[ . 1 . 2]" 1
463 1 79 SER QB 1 80 THR H 4.400 . 5.300 2.500 2.342 2.677 . 0 0 "[ . 1 . 2]" 1
464 1 80 THR HB 1 80 THR MG 2.770 . 3.730 2.167 2.126 2.201 . 0 0 "[ . 1 . 2]" 1
465 1 80 THR HA 1 80 THR MG 2.850 . 3.870 2.350 2.277 2.462 . 0 0 "[ . 1 . 2]" 1
466 1 3 THR MG 1 6 LYS HA 2.770 . 3.730 2.192 2.003 2.712 . 0 0 "[ . 1 . 2]" 1
467 1 80 THR MG 1 81 THR H 3.020 . 4.160 2.323 2.230 2.476 . 0 0 "[ . 1 . 2]" 1
468 1 66 LYS HB3 1 81 THR HA 3.670 . 5.300 4.677 4.539 4.923 . 0 0 "[ . 1 . 2]" 1
469 1 81 THR HB 1 83 ALA HA 3.750 . 5.300 5.083 4.777 5.296 . 0 0 "[ . 1 . 2]" 1
470 1 81 THR H 1 81 THR HB 3.260 . 4.590 3.424 3.343 3.489 . 0 0 "[ . 1 . 2]" 1
471 1 81 THR HA 1 81 THR MG 3.060 . 4.230 2.387 2.199 2.488 . 0 0 "[ . 1 . 2]" 1
472 1 81 THR MG 1 82 CYS H 3.180 . 4.440 4.228 4.040 4.372 . 0 0 "[ . 1 . 2]" 1
473 1 82 CYS HA 1 82 CYS QB 3.910 . 5.300 2.207 2.138 2.269 . 0 0 "[ . 1 . 2]" 1
474 1 10 ALA HA 1 82 CYS QB 4.080 . 5.300 3.598 3.207 3.870 . 0 0 "[ . 1 . 2]" 1
475 1 8 LEU HB3 1 82 CYS QB 3.830 . 5.300 5.453 3.906 6.216 0.916 17 7 "[ * *. * 1 **. + -2]" 1
476 1 8 LEU QD 1 82 CYS QB 3.750 . 5.300 2.966 2.177 3.939 . 0 0 "[ . 1 . 2]" 1
477 1 66 LYS HE3 1 83 ALA MB 3.910 . 5.300 5.386 5.357 5.420 0.120 12 0 "[ . 1 . 2]" 1
478 1 62 ALA HA 1 84 VAL HB 3.910 . 5.300 3.909 3.096 4.604 . 0 0 "[ . 1 . 2]" 1
479 1 65 TYR QD 1 84 VAL HB 4.160 . 5.300 4.763 2.682 5.345 0.045 8 0 "[ . 1 . 2]" 1
480 1 84 VAL HB 1 84 VAL QG 3.180 . 4.370 1.938 1.912 1.953 0.008 3 0 "[ . 1 . 2]" 1
481 1 84 VAL MG1 1 84 VAL MG2 2.610 . 3.460 2.152 2.080 2.226 . 0 0 "[ . 1 . 2]" 1
482 1 12 MET HB3 1 84 VAL QG 3.380 . 4.810 2.507 2.097 3.725 . 0 0 "[ . 1 . 2]" 1
483 1 12 MET HA 1 84 VAL QG 3.830 . 5.300 4.264 3.954 4.972 . 0 0 "[ . 1 . 2]" 1
484 1 84 VAL QG 1 86 VAL MG1 3.340 . 4.740 3.371 2.262 3.820 . 0 0 "[ . 1 . 2]" 1
485 1 84 VAL HA 1 84 VAL QG 3.340 . 4.740 2.097 1.997 2.249 . 0 0 "[ . 1 . 2]" 1
486 1 11 SER HA 1 84 VAL QG 4.160 . 5.300 3.428 2.940 4.408 . 0 0 "[ . 1 . 2]" 1
487 1 65 TYR QE 1 84 VAL QG 3.590 . 5.200 2.152 1.948 3.350 0.042 12 0 "[ . 1 . 2]" 1
488 1 20 LEU H 1 84 VAL QG 3.670 . 5.300 3.975 3.535 4.233 . 0 0 "[ . 1 . 2]" 1
489 1 65 TYR HB2 1 84 VAL QG 4.080 . 5.300 3.892 2.996 5.059 . 0 0 "[ . 1 . 2]" 1
490 1 62 ALA HA 1 84 VAL QG 3.180 . 4.440 2.486 1.906 3.381 0.014 3 0 "[ . 1 . 2]" 1
491 1 85 THR HA 1 85 THR MG 3.100 . 4.300 2.400 2.255 3.219 . 0 0 "[ . 1 . 2]" 1
492 1 85 THR HA 1 86 VAL MG2 3.340 . 4.740 3.686 3.347 3.994 . 0 0 "[ . 1 . 2]" 1
493 1 62 ALA MB 1 85 THR HA 3.180 . 4.440 2.782 2.391 3.065 . 0 0 "[ . 1 . 2]" 1
494 1 62 ALA MB 1 85 THR HB 4.400 . 5.300 5.229 4.923 5.454 0.154 19 0 "[ . 1 . 2]" 1
495 1 13 SER HB3 1 85 THR HB 3.830 . 5.300 3.211 2.434 5.309 0.009 13 0 "[ . 1 . 2]" 1
496 1 13 SER HA 1 85 THR HB 3.830 . 5.300 2.325 2.037 4.217 . 0 0 "[ . 1 . 2]" 1
497 1 28 GLY HA2 1 34 THR MG 2.690 . 3.600 3.638 3.612 3.674 0.074 17 0 "[ . 1 . 2]" 1
498 1 34 THR MG 1 70 THR HB 2.610 . 3.460 2.035 1.977 2.110 . 0 0 "[ . 1 . 2]" 1
499 1 34 THR MG 1 70 THR HA 3.260 . 4.590 4.244 4.173 4.322 . 0 0 "[ . 1 . 2]" 1
500 1 34 THR MG 1 76 SER HA 3.750 . 5.300 5.413 5.372 5.466 0.166 7 0 "[ . 1 . 2]" 1
501 1 85 THR MG 1 86 VAL H 2.850 . 3.870 2.717 2.144 3.223 . 0 0 "[ . 1 . 2]" 1
502 1 86 VAL HB 1 86 VAL MG2 3.100 . 4.300 2.146 2.112 2.166 . 0 0 "[ . 1 . 2]" 1
503 1 86 VAL HB 1 86 VAL MG1 3.260 . 4.590 2.166 2.132 2.203 . 0 0 "[ . 1 . 2]" 1
504 1 7 ASP HA 1 7 ASP QB 3.340 . 4.740 2.136 2.028 2.255 . 0 0 "[ . 1 . 2]" 1
505 1 87 ASN HB2 1 88 PRO HD3 3.750 . 5.300 4.396 3.312 4.850 . 0 0 "[ . 1 . 2]" 1
506 1 87 ASN HB3 1 88 PRO HD3 4.320 . 5.300 3.871 3.190 4.545 . 0 0 "[ . 1 . 2]" 1
507 1 87 ASN HB2 1 88 PRO HD2 4.120 . 5.300 3.164 2.163 3.742 . 0 0 "[ . 1 . 2]" 1
508 1 87 ASN HB2 1 90 VAL HA 2.850 . 3.870 3.925 3.872 3.956 0.086 17 0 "[ . 1 . 2]" 1
509 1 87 ASN HB3 1 91 PRO HG3 4.400 . 5.300 4.505 3.785 5.314 0.014 2 0 "[ . 1 . 2]" 1
510 1 88 PRO HB2 1 88 PRO HD3 3.870 . 5.300 4.028 3.990 4.062 . 0 0 "[ . 1 . 2]" 1
511 1 88 PRO HB3 1 88 PRO HD3 3.590 . 5.200 3.133 2.937 4.095 . 0 0 "[ . 1 . 2]" 1
512 1 88 PRO HB3 1 89 THR H 3.830 . 5.300 3.881 3.345 4.039 . 0 0 "[ . 1 . 2]" 1
513 1 88 PRO HA 1 88 PRO HG3 3.830 . 5.300 4.094 3.370 4.191 . 0 0 "[ . 1 . 2]" 1
514 1 88 PRO HG3 1 89 THR H 4.400 . 5.300 5.326 5.295 5.346 0.046 8 0 "[ . 1 . 2]" 1
515 1 89 THR HA 1 90 VAL QG 3.910 . 5.300 3.065 2.697 4.049 . 0 0 "[ . 1 . 2]" 1
516 1 89 THR HA 1 90 VAL HB 3.590 . 5.200 4.521 3.538 4.830 . 0 0 "[ . 1 . 2]" 1
517 1 15 GLU HG3 1 89 THR HA 3.670 . 5.300 4.342 2.995 4.860 . 0 0 "[ . 1 . 2]" 1
518 1 89 THR HA 1 89 THR HB 2.810 . 3.800 2.613 2.524 3.021 . 0 0 "[ . 1 . 2]" 1
519 1 89 THR HB 1 90 VAL HB 3.830 . 5.300 5.316 5.122 5.420 0.120 10 0 "[ . 1 . 2]" 1
520 1 89 THR HB 1 90 VAL H 3.420 . 4.890 3.089 2.922 3.633 . 0 0 "[ . 1 . 2]" 1
521 1 89 THR HA 1 89 THR MG 2.980 . 4.090 2.211 2.106 2.282 . 0 0 "[ . 1 . 2]" 1
522 1 89 THR HB 1 89 THR MG 2.810 . 3.800 2.185 2.178 2.189 . 0 0 "[ . 1 . 2]" 1
523 1 90 VAL HA 1 90 VAL QG 2.890 . 3.940 2.065 1.995 2.225 . 0 0 "[ . 1 . 2]" 1
524 1 87 ASN HA 1 91 PRO HG3 4.080 . 5.300 5.177 4.726 5.352 0.052 19 0 "[ . 1 . 2]" 1
525 1 87 ASN HA 1 91 PRO HG2 4.080 . 5.300 5.367 5.303 5.392 0.092 4 0 "[ . 1 . 2]" 1
526 1 91 PRO HG2 1 93 GLY H 4.000 . 5.300 4.806 3.949 5.367 0.067 10 0 "[ . 1 . 2]" 1
527 1 91 PRO HB2 1 91 PRO HD2 4.160 . 5.300 4.039 3.358 4.179 . 0 0 "[ . 1 . 2]" 1
528 1 91 PRO HB3 1 91 PRO HD2 3.510 . 5.050 3.913 3.794 4.075 . 0 0 "[ . 1 . 2]" 1
529 1 91 PRO HB3 1 91 PRO HD3 3.510 . 5.050 3.082 2.741 3.903 . 0 0 "[ . 1 . 2]" 1
530 1 91 PRO HB2 1 91 PRO HD3 4.000 . 5.300 4.002 3.880 4.108 . 0 0 "[ . 1 . 2]" 1
531 1 90 VAL QG 1 91 PRO HD2 3.220 . 4.520 2.565 2.180 2.967 . 0 0 "[ . 1 . 2]" 1
532 1 90 VAL QG 1 91 PRO HD3 3.910 . 5.300 3.685 3.217 3.952 . 0 0 "[ . 1 . 2]" 1
533 1 90 VAL HA 1 91 PRO HD3 2.890 . 3.940 2.575 2.033 2.819 . 0 0 "[ . 1 . 2]" 1
534 1 90 VAL HA 1 91 PRO HD2 2.980 . 4.090 1.977 1.894 2.423 . 0 0 "[ . 1 . 2]" 1
535 1 90 VAL QG 1 93 GLY QA 4.000 . 5.300 4.262 2.161 4.994 . 0 0 "[ . 1 . 2]" 1
536 1 93 GLY QA 1 94 LEU HG 4.320 . 5.300 4.077 3.553 5.046 . 0 0 "[ . 1 . 2]" 1
537 1 93 GLY QA 1 94 LEU HA 3.830 . 5.300 4.068 3.971 4.137 . 0 0 "[ . 1 . 2]" 1
538 1 94 LEU HB2 1 94 LEU MD2 3.590 . 5.200 3.014 2.402 3.317 . 0 0 "[ . 1 . 2]" 1
539 1 94 LEU HB3 1 94 LEU MD1 3.910 . 5.300 2.720 2.291 3.323 . 0 0 "[ . 1 . 2]" 1
540 1 94 LEU HB2 1 96 HIS HB3 3.910 . 5.300 5.218 4.387 5.368 0.068 8 0 "[ . 1 . 2]" 1
541 1 94 LEU MD2 1 94 LEU HG 4.080 . 5.300 2.173 2.149 2.196 . 0 0 "[ . 1 . 2]" 1
542 1 94 LEU MD1 1 94 LEU HG 3.910 . 5.300 2.180 2.158 2.196 . 0 0 "[ . 1 . 2]" 1
543 1 94 LEU HB2 1 94 LEU MD2 3.100 . 4.300 2.111 2.013 2.159 . 0 0 "[ . 1 . 2]" 1
544 1 90 VAL HB 1 94 LEU MD2 3.830 . 5.300 4.213 2.043 5.330 0.030 9 0 "[ . 1 . 2]" 1
545 1 90 VAL HB 1 94 LEU MD1 4.240 . 5.300 4.277 2.040 5.318 0.018 8 0 "[ . 1 . 2]" 1
546 1 95 GLU HA 1 95 GLU HG3 3.870 . 5.300 3.636 3.095 3.915 . 0 0 "[ . 1 . 2]" 1
547 1 95 GLU HB3 1 95 GLU HG3 2.940 . 4.020 2.795 2.462 3.095 . 0 0 "[ . 1 . 2]" 1
548 1 95 GLU HB3 1 95 GLU HG2 2.850 . 3.870 2.831 2.491 3.108 . 0 0 "[ . 1 . 2]" 1
549 1 95 GLU HA 1 95 GLU HG2 4.120 . 5.300 3.030 2.388 3.814 . 0 0 "[ . 1 . 2]" 1
550 1 87 ASN HA 1 87 ASN HD21 4.160 . 5.300 4.362 4.001 4.589 . 0 0 "[ . 1 . 2]" 1
551 1 2 LEU HB2 1 2 LEU QD 3.510 . 5.050 2.168 2.126 2.200 . 0 0 "[ . 1 . 2]" 1
552 1 2 LEU HB3 1 2 LEU QD 3.590 . 5.200 2.270 2.178 2.333 . 0 0 "[ . 1 . 2]" 1
553 1 2 LEU HA 1 2 LEU MD1 3.710 . 5.300 2.316 2.127 3.456 . 0 0 "[ . 1 . 2]" 1
554 1 2 LEU MD2 1 3 THR H 4.000 . 5.300 4.432 3.637 4.800 . 0 0 "[ . 1 . 2]" 1
555 1 2 LEU QD 1 2 LEU HG 3.340 . 4.740 1.931 1.913 1.941 0.027 4 0 "[ . 1 . 2]" 1
556 1 43 PRO HA 1 43 PRO HG2 3.670 . 5.300 3.725 3.654 3.779 . 0 0 "[ . 1 . 2]" 1
557 1 42 SER HA 1 43 PRO HG2 4.000 . 5.300 4.315 4.173 4.462 . 0 0 "[ . 1 . 2]" 1
558 1 42 SER HA 1 43 PRO HG3 3.910 . 5.300 4.641 4.485 4.741 . 0 0 "[ . 1 . 2]" 1
559 1 67 VAL HA 1 67 VAL MG2 3.830 . 5.300 2.376 2.130 2.565 . 0 0 "[ . 1 . 2]" 1
560 1 37 TRP HA 1 67 VAL HA 3.630 . 5.280 2.501 2.218 2.821 . 0 0 "[ . 1 . 2]" 1
561 1 67 VAL HB 1 67 VAL MG2 3.510 . 5.050 2.165 2.141 2.182 . 0 0 "[ . 1 . 2]" 1
562 1 67 VAL HB 1 67 VAL MG1 3.670 . 5.300 2.156 2.128 2.177 . 0 0 "[ . 1 . 2]" 1
563 1 67 VAL H 1 67 VAL HB 4.160 . 5.300 3.202 2.771 3.317 . 0 0 "[ . 1 . 2]" 1
564 1 67 VAL MG2 1 68 THR HB 4.160 . 5.300 4.385 4.066 5.060 . 0 0 "[ . 1 . 2]" 1
565 1 37 TRP HE3 1 67 VAL MG1 4.000 . 5.300 3.503 2.545 4.377 . 0 0 "[ . 1 . 2]" 1
566 1 87 ASN HB2 1 90 VAL QG 3.670 . 5.300 3.380 2.488 3.748 . 0 0 "[ . 1 . 2]" 1
567 1 37 TRP QB 1 47 ALA MB 3.420 . 4.890 2.488 1.969 3.368 . 0 0 "[ . 1 . 2]" 1
568 1 47 ALA HA 1 47 ALA MB 2.940 . 4.020 2.198 2.151 2.247 . 0 0 "[ . 1 . 2]" 1
569 1 37 TRP HD1 1 47 ALA MB 3.260 . 4.590 2.693 2.191 3.561 . 0 0 "[ . 1 . 2]" 1
570 1 47 ALA H 1 47 ALA MB 2.940 . 4.020 2.289 1.947 2.850 . 0 0 "[ . 1 . 2]" 1
571 1 37 TRP H 1 47 ALA MB 3.910 . 5.300 3.444 2.941 4.408 . 0 0 "[ . 1 . 2]" 1
572 1 54 LYS QD 1 54 LYS QE 3.380 . 4.810 1.980 1.915 2.059 0.035 20 0 "[ . 1 . 2]" 1
573 1 43 PRO HB2 1 43 PRO HD2 4.080 . 5.300 4.235 4.211 4.251 . 0 0 "[ . 1 . 2]" 1
574 1 43 PRO HB2 1 43 PRO HD3 4.160 . 5.300 3.727 3.664 3.781 . 0 0 "[ . 1 . 2]" 1
575 1 60 GLU H 1 60 GLU HG2 3.670 . 5.300 2.733 1.985 3.560 0.005 14 0 "[ . 1 . 2]" 1
576 1 60 GLU HA 1 60 GLU HG2 3.420 . 4.890 3.261 2.566 4.274 . 0 0 "[ . 1 . 2]" 1
577 1 1 ALA HA 1 1 ALA MB 2.980 . 4.090 2.192 2.188 2.198 . 0 0 "[ . 1 . 2]" 1
578 1 1 ALA MB 1 2 LEU HA 4.320 . 5.300 4.227 4.028 4.400 . 0 0 "[ . 1 . 2]" 1
579 1 44 ILE QG 1 45 PRO HD2 3.670 . 5.300 3.326 2.858 3.770 . 0 0 "[ . 1 . 2]" 1
580 1 32 PRO HB3 1 32 PRO HD2 3.790 . 5.300 3.995 3.885 4.075 . 0 0 "[ . 1 . 2]" 1
581 1 32 PRO HA 1 32 PRO HD2 4.240 . 5.300 3.925 3.836 4.105 . 0 0 "[ . 1 . 2]" 1
582 1 28 GLY HA3 1 29 GLY HA2 4.000 . 5.300 5.319 5.311 5.330 0.030 18 0 "[ . 1 . 2]" 1
583 1 58 ALA MB 1 60 GLU HG2 3.590 . 5.200 3.641 2.849 4.558 . 0 0 "[ . 1 . 2]" 1
584 1 44 ILE MD 1 44 ILE QG 3.260 . 3.800 1.922 1.894 1.959 0.036 4 0 "[ . 1 . 2]" 1
585 1 44 ILE HB 1 44 ILE QG 3.340 . 4.300 2.131 2.038 2.500 . 0 0 "[ . 1 . 2]" 1
586 1 44 ILE QG 1 45 PRO HG2 3.340 . 4.740 4.741 4.695 4.788 0.048 15 0 "[ . 1 . 2]" 1
587 1 44 ILE HA 1 45 PRO HD3 3.100 . 4.300 2.242 2.036 2.415 . 0 0 "[ . 1 . 2]" 1
588 1 44 ILE HA 1 45 PRO HD2 3.140 . 4.370 2.648 2.108 3.159 . 0 0 "[ . 1 . 2]" 1
589 1 45 PRO HD3 1 45 PRO HG2 2.980 . 4.090 2.914 2.629 3.030 . 0 0 "[ . 1 . 2]" 1
590 1 44 ILE MG 1 45 PRO HD3 3.470 . 4.970 3.856 3.541 4.224 . 0 0 "[ . 1 . 2]" 1
591 1 45 PRO HB2 1 45 PRO HD3 4.000 . 5.300 4.000 3.753 4.148 . 0 0 "[ . 1 . 2]" 1
592 1 32 PRO HA 1 32 PRO HD3 4.240 . 5.300 3.715 3.516 3.875 . 0 0 "[ . 1 . 2]" 1
593 1 32 PRO HD2 1 72 SER HB3 3.750 . 5.300 5.498 5.383 5.550 0.250 14 0 "[ . 1 . 2]" 1
594 1 32 PRO HB3 1 32 PRO HD3 4.080 . 5.300 3.850 2.842 4.125 . 0 0 "[ . 1 . 2]" 1
595 1 43 PRO HD3 1 43 PRO HG2 2.980 . 4.090 2.644 2.576 2.752 . 0 0 "[ . 1 . 2]" 1
596 1 68 THR HA 1 69 VAL HA 3.340 . 4.740 4.465 4.380 4.532 . 0 0 "[ . 1 . 2]" 1
597 1 68 THR HA 1 78 ASP HA 3.260 . 4.590 2.641 2.397 2.958 . 0 0 "[ . 1 . 2]" 1
598 1 21 THR HA 1 53 THR HA 3.420 . 4.890 2.559 2.098 2.819 . 0 0 "[ . 1 . 2]" 1
599 1 62 ALA HA 1 85 THR HA 3.750 . 5.300 4.020 2.932 5.328 0.028 6 0 "[ . 1 . 2]" 1
600 1 11 SER HA 1 82 CYS HA 3.340 . 4.740 3.782 3.595 4.287 . 0 0 "[ . 1 . 2]" 1
601 1 33 TYR H 1 33 TYR QD 4.980 . 5.300 2.768 2.292 3.010 . 0 0 "[ . 1 . 2]" 1
602 1 33 TYR HB3 1 33 TYR QE 4.740 . 5.300 2.806 2.449 3.305 . 0 0 "[ . 1 . 2]" 1
603 1 33 TYR HB2 1 33 TYR QE 4.740 . 5.300 4.450 4.385 4.480 . 0 0 "[ . 1 . 2]" 1
604 1 24 VAL HA 1 33 TYR QE 4.980 . 5.300 5.336 5.177 5.391 0.091 6 0 "[ . 1 . 2]" 1
605 1 33 TYR QE 1 73 LYS H 5.300 . 5.300 5.589 5.531 5.653 0.353 7 0 "[ . 1 . 2]" 1
606 1 35 TYR QB 1 35 TYR QD 4.860 . 5.300 2.240 2.066 2.375 . 0 0 "[ . 1 . 2]" 1
607 1 35 TYR HA 1 35 TYR QD 4.980 . 5.300 3.752 3.541 3.819 . 0 0 "[ . 1 . 2]" 1
608 1 26 ALA MB 1 35 TYR QD 4.370 . 5.300 3.513 3.243 3.696 . 0 0 "[ . 1 . 2]" 1
609 1 35 TYR QD 1 67 VAL MG2 4.740 . 5.300 3.874 3.672 4.713 . 0 0 "[ . 1 . 2]" 1
610 1 35 TYR QD 1 47 ALA MB 5.300 . 5.300 4.840 4.213 5.301 0.001 14 0 "[ . 1 . 2]" 1
611 1 35 TYR QD 1 50 ALA HA 5.300 . 5.300 3.639 2.986 4.569 . 0 0 "[ . 1 . 2]" 1
612 1 35 TYR QD 1 49 GLY HA3 5.300 . 5.300 5.458 5.345 5.509 0.209 13 0 "[ . 1 . 2]" 1
613 1 35 TYR QD 1 67 VAL MG1 5.220 . 5.300 5.297 4.883 5.382 0.082 20 0 "[ . 1 . 2]" 1
614 1 24 VAL HA 1 35 TYR QE 4.980 . 5.300 5.030 4.893 5.156 . 0 0 "[ . 1 . 2]" 1
615 1 35 TYR QE 1 50 ALA HA 5.300 . 5.300 3.014 2.436 3.988 . 0 0 "[ . 1 . 2]" 1
616 1 35 TYR QE 1 50 ALA MB 4.800 . 5.300 3.085 2.201 4.162 . 0 0 "[ . 1 . 2]" 1
617 1 26 ALA MB 1 35 TYR QE 4.370 . 5.300 1.966 1.887 2.242 0.093 3 0 "[ . 1 . 2]" 1
618 1 35 TYR QE 1 69 VAL MG1 5.100 . 5.300 4.219 3.884 4.700 . 0 0 "[ . 1 . 2]" 1
619 1 52 TYR HB3 1 52 TYR QD 4.680 . 5.300 2.441 2.223 2.669 . 0 0 "[ . 1 . 2]" 1
620 1 22 LEU QD 1 52 TYR QD 4.980 . 5.300 2.929 2.252 3.533 . 0 0 "[ . 1 . 2]" 1
621 1 52 TYR HA 1 52 TYR QD 4.860 . 5.300 3.633 3.156 3.712 . 0 0 "[ . 1 . 2]" 1
622 1 47 ALA H 1 52 TYR QD 4.860 . 5.300 3.862 3.203 4.108 . 0 0 "[ . 1 . 2]" 1
623 1 47 ALA HA 1 52 TYR QD 5.100 . 5.300 4.422 2.720 5.330 0.030 17 0 "[ . 1 . 2]" 1
624 1 22 LEU HG 1 52 TYR QE 4.490 . 5.300 3.622 2.235 5.244 . 0 0 "[ . 1 . 2]" 1
625 1 52 TYR HB2 1 52 TYR QE 4.490 . 5.300 4.391 4.338 4.527 . 0 0 "[ . 1 . 2]" 1
626 1 44 ILE MD 1 52 TYR QE 4.490 . 5.300 4.527 2.322 5.345 0.045 15 0 "[ . 1 . 2]" 1
627 1 37 TRP QB 1 52 TYR QE 5.220 . 5.300 4.260 3.973 4.692 . 0 0 "[ . 1 . 2]" 1
628 1 52 TYR QD 1 54 LYS QD 5.300 . 5.300 3.891 3.082 4.867 . 0 0 "[ . 1 . 2]" 1
629 1 47 ALA HA 1 52 TYR QE 5.220 . 5.300 3.097 2.437 3.914 . 0 0 "[ . 1 . 2]" 1
630 1 22 LEU HB3 1 37 TRP HH2 5.100 . 5.300 3.046 2.501 3.579 . 0 0 "[ . 1 . 2]" 1
631 1 8 LEU QD 1 37 TRP HH2 4.740 . 5.300 3.015 2.301 4.278 . 0 0 "[ . 1 . 2]" 1
632 1 37 TRP HH2 1 69 VAL MG1 4.740 . 5.300 5.207 4.991 5.354 0.054 10 0 "[ . 1 . 2]" 1
633 1 22 LEU QD 1 65 TYR QE 4.860 . 5.300 2.536 1.896 2.893 0.014 3 0 "[ . 1 . 2]" 1
634 1 65 TYR QE 1 84 VAL HB 5.300 . 5.300 4.290 2.789 4.780 . 0 0 "[ . 1 . 2]" 1
635 1 65 TYR QD 1 84 VAL QG 5.280 . 5.300 2.359 2.084 3.321 . 0 0 "[ . 1 . 2]" 1
636 1 22 LEU QD 1 65 TYR QD 5.300 . 5.300 2.310 1.787 2.616 0.013 17 0 "[ . 1 . 2]" 1
637 1 69 VAL H 1 78 ASP HA 3.930 . 5.300 3.181 2.809 3.421 . 0 0 "[ . 1 . 2]" 1
638 1 68 THR HA 1 69 VAL H 3.150 . 4.390 2.186 2.029 2.288 . 0 0 "[ . 1 . 2]" 1
639 1 83 ALA MB 1 84 VAL H 3.500 . 5.030 3.413 3.272 3.518 . 0 0 "[ . 1 . 2]" 1
640 1 64 SER HA 1 84 VAL H 3.760 . 5.300 2.939 2.757 3.099 . 0 0 "[ . 1 . 2]" 1
641 1 22 LEU HB3 1 52 TYR H 3.850 . 5.300 4.146 3.675 4.691 . 0 0 "[ . 1 . 2]" 1
642 1 23 SER HA 1 52 TYR H 3.980 . 5.300 3.523 3.397 3.671 . 0 0 "[ . 1 . 2]" 1
643 1 51 THR HA 1 52 TYR H 3.100 . 4.300 2.045 1.917 2.115 . 0 0 "[ . 1 . 2]" 1
644 1 25 THR MG 1 26 ALA H 3.450 . 4.940 4.156 3.942 4.507 . 0 0 "[ . 1 . 2]" 1
645 1 25 THR HA 1 26 ALA H 3.020 . 4.160 2.457 2.368 2.516 . 0 0 "[ . 1 . 2]" 1
646 1 65 TYR H 1 65 TYR QD 3.410 . 4.860 2.678 2.372 2.990 . 0 0 "[ . 1 . 2]" 1
647 1 65 TYR H 1 83 ALA H 4.370 . 5.300 4.670 4.516 4.855 . 0 0 "[ . 1 . 2]" 1
648 1 65 TYR H 1 83 ALA HA 3.930 . 5.300 3.544 3.320 3.649 . 0 0 "[ . 1 . 2]" 1
649 1 39 LYS QB 1 65 TYR H 3.500 . 5.030 3.371 3.073 4.062 . 0 0 "[ . 1 . 2]" 1
650 1 66 LYS HG3 1 82 CYS H 3.150 . 4.390 3.955 3.795 4.240 . 0 0 "[ . 1 . 2]" 1
651 1 81 THR HA 1 82 CYS H 3.020 . 4.160 2.176 2.049 2.252 . 0 0 "[ . 1 . 2]" 1
652 1 39 LYS QB 1 40 ASP H 4.370 . 5.300 3.551 3.220 3.828 . 0 0 "[ . 1 . 2]" 1
653 1 40 ASP H 1 65 TYR HA 4.280 . 5.300 3.788 3.585 4.034 . 0 0 "[ . 1 . 2]" 1
654 1 57 ALA H 1 58 ALA H 3.850 . 5.300 4.056 3.999 4.132 . 0 0 "[ . 1 . 2]" 1
655 1 57 ALA HA 1 58 ALA H 2.970 . 4.070 2.187 2.090 2.290 . 0 0 "[ . 1 . 2]" 1
656 1 58 ALA H 1 61 ASP HB2 4.280 . 5.300 2.412 1.967 3.181 0.023 13 0 "[ . 1 . 2]" 1
657 1 20 LEU QD 1 58 ALA H 4.020 . 5.300 4.930 4.657 5.273 . 0 0 "[ . 1 . 2]" 1
658 1 86 VAL MG1 1 87 ASN H 3.580 . 5.190 3.959 3.798 4.049 . 0 0 "[ . 1 . 2]" 1
659 1 86 VAL HB 1 87 ASN H 4.020 . 5.300 3.745 3.174 3.975 . 0 0 "[ . 1 . 2]" 1
660 1 70 THR MG 1 71 ASP H 3.370 . 4.790 2.463 2.404 2.528 . 0 0 "[ . 1 . 2]" 1
661 1 71 ASP H 1 75 VAL HB 4.280 . 5.300 4.695 4.621 4.797 . 0 0 "[ . 1 . 2]" 1
662 1 71 ASP H 1 76 SER HA 3.670 . 5.300 3.836 3.646 3.953 . 0 0 "[ . 1 . 2]" 1
663 1 36 ALA MB 1 37 TRP H 3.410 . 4.860 3.492 3.301 3.662 . 0 0 "[ . 1 . 2]" 1
664 1 37 TRP H 1 37 TRP HD1 3.670 . 5.300 2.651 2.309 3.113 . 0 0 "[ . 1 . 2]" 1
665 1 6 LYS HB2 1 7 ASP H 3.320 . 4.700 3.976 3.444 4.376 . 0 0 "[ . 1 . 2]" 1
666 1 6 LYS HA 1 7 ASP H 3.020 . 4.160 2.146 2.058 2.335 . 0 0 "[ . 1 . 2]" 1
667 1 6 LYS H 1 7 ASP H 4.280 . 5.300 4.095 3.871 4.294 . 0 0 "[ . 1 . 2]" 1
668 1 36 ALA H 1 67 VAL MG2 3.320 . 4.700 3.070 2.926 3.714 . 0 0 "[ . 1 . 2]" 1
669 1 36 ALA H 1 68 THR HB 4.110 . 5.300 3.475 3.105 4.729 . 0 0 "[ . 1 . 2]" 1
670 1 35 TYR QD 1 36 ALA H 4.200 . 5.300 4.404 4.227 4.710 . 0 0 "[ . 1 . 2]" 1
671 1 36 ALA H 1 68 THR H 3.580 . 5.190 3.272 3.091 3.430 . 0 0 "[ . 1 . 2]" 1
672 1 36 ALA H 1 37 TRP H 4.280 . 5.300 4.116 3.955 4.221 . 0 0 "[ . 1 . 2]" 1
673 1 16 GLU HA 1 18 ALA H 3.150 . 4.390 3.221 3.108 3.326 . 0 0 "[ . 1 . 2]" 1
674 1 18 ALA H 1 56 THR HA 3.850 . 5.300 3.265 2.886 3.548 . 0 0 "[ . 1 . 2]" 1
675 1 18 ALA H 1 57 ALA H 3.580 . 5.190 2.166 1.963 2.361 0.007 6 0 "[ . 1 . 2]" 1
676 1 17 GLY HA2 1 18 ALA H 3.850 . 5.300 2.682 2.561 2.891 . 0 0 "[ . 1 . 2]" 1
677 1 14 VAL MG1 1 18 ALA H 3.670 . 5.300 3.249 2.980 3.927 . 0 0 "[ . 1 . 2]" 1
678 1 16 GLU HB2 1 18 ALA H 3.670 . 5.300 4.913 4.538 5.341 0.041 19 0 "[ . 1 . 2]" 1
679 1 77 LYS HA 1 78 ASP H 2.800 . 3.780 2.457 2.343 2.521 . 0 0 "[ . 1 . 2]" 1
680 1 77 LYS HD3 1 78 ASP H 3.930 . 5.300 3.551 2.887 5.018 . 0 0 "[ . 1 . 2]" 1
681 1 69 VAL H 1 78 ASP H 3.850 . 5.300 3.746 3.690 3.794 . 0 0 "[ . 1 . 2]" 1
682 1 14 VAL QG 1 57 ALA H 3.670 . 5.300 4.353 4.105 4.541 . 0 0 "[ . 1 . 2]" 1
683 1 17 GLY HA3 1 57 ALA H 3.670 . 5.300 4.425 4.271 4.715 . 0 0 "[ . 1 . 2]" 1
684 1 56 THR HA 1 57 ALA H 2.930 . 4.000 2.100 1.984 2.207 . 0 0 "[ . 1 . 2]" 1
685 1 20 LEU H 1 20 LEU HB3 3.630 . 5.280 3.548 2.046 3.791 . 0 0 "[ . 1 . 2]" 1
686 1 81 THR H 1 82 CYS H 4.280 . 5.300 4.327 4.262 4.375 . 0 0 "[ . 1 . 2]" 1
687 1 80 THR H 1 81 THR H 4.370 . 5.300 4.488 4.404 4.574 . 0 0 "[ . 1 . 2]" 1
688 1 39 LYS H 1 44 ILE H 4.280 . 5.300 4.786 4.256 5.312 0.012 12 0 "[ . 1 . 2]" 1
689 1 38 THR HA 1 44 ILE H 3.800 . 5.300 4.063 3.672 4.479 . 0 0 "[ . 1 . 2]" 1
690 1 37 TRP QB 1 44 ILE H 4.280 . 5.300 4.932 4.691 5.064 . 0 0 "[ . 1 . 2]" 1
691 1 43 PRO HB2 1 44 ILE H 4.110 . 5.300 3.364 2.733 3.734 . 0 0 "[ . 1 . 2]" 1
692 1 44 ILE H 1 44 ILE QG 3.410 . 4.860 3.151 2.861 3.342 . 0 0 "[ . 1 . 2]" 1
693 1 44 ILE H 1 44 ILE MD 4.110 . 5.300 2.278 1.848 4.471 0.152 3 0 "[ . 1 . 2]" 1
694 1 89 THR HA 1 90 VAL H 2.840 . 3.850 2.136 2.046 2.243 . 0 0 "[ . 1 . 2]" 1
695 1 89 THR MG 1 90 VAL H 3.500 . 5.030 3.479 2.207 3.778 . 0 0 "[ . 1 . 2]" 1
696 1 74 GLN H 1 75 VAL H 3.410 . 4.860 2.364 2.293 2.438 . 0 0 "[ . 1 . 2]" 1
697 1 71 ASP H 1 75 VAL H 3.540 . 5.110 2.951 2.894 3.034 . 0 0 "[ . 1 . 2]" 1
698 1 13 SER HA 1 85 THR H 3.630 . 5.280 2.419 1.995 2.906 . 0 0 "[ . 1 . 2]" 1
699 1 84 VAL HA 1 85 THR H 3.100 . 4.300 2.098 1.976 2.290 . 0 0 "[ . 1 . 2]" 1
700 1 12 MET HB3 1 85 THR H 4.200 . 5.300 4.441 3.916 5.169 . 0 0 "[ . 1 . 2]" 1
701 1 14 VAL MG1 1 85 THR H 3.370 . 4.790 3.128 2.620 3.266 . 0 0 "[ . 1 . 2]" 1
702 1 86 VAL H 1 87 ASN H 4.110 . 5.300 3.922 3.713 4.186 . 0 0 "[ . 1 . 2]" 1
703 1 85 THR HA 1 86 VAL H 2.930 . 4.000 2.178 2.032 2.302 . 0 0 "[ . 1 . 2]" 1
704 1 61 ASP HB3 1 62 ALA H 3.850 . 5.300 4.447 4.304 4.548 . 0 0 "[ . 1 . 2]" 1
705 1 61 ASP HB2 1 62 ALA H 3.850 . 5.300 3.625 3.464 3.733 . 0 0 "[ . 1 . 2]" 1
706 1 61 ASP HA 1 62 ALA H 4.020 . 5.300 3.683 3.629 3.736 . 0 0 "[ . 1 . 2]" 1
707 1 59 ALA HA 1 62 ALA H 4.240 . 5.300 3.286 3.099 3.510 . 0 0 "[ . 1 . 2]" 1
708 1 67 VAL HB 1 68 THR H 4.020 . 5.300 3.959 3.720 4.398 . 0 0 "[ . 1 . 2]" 1
709 1 67 VAL MG2 1 68 THR H 3.320 . 4.700 2.348 2.236 2.715 . 0 0 "[ . 1 . 2]" 1
710 1 36 ALA MB 1 68 THR H 3.760 . 5.300 3.489 3.202 3.776 . 0 0 "[ . 1 . 2]" 1
711 1 67 VAL HA 1 68 THR H 3.230 . 4.540 2.103 2.033 2.227 . 0 0 "[ . 1 . 2]" 1
712 1 37 TRP HA 1 68 THR H 3.760 . 5.300 3.406 3.043 3.682 . 0 0 "[ . 1 . 2]" 1
713 1 69 VAL MG1 1 70 THR H 3.540 . 5.110 3.119 2.987 3.249 . 0 0 "[ . 1 . 2]" 1
714 1 69 VAL HB 1 70 THR H 4.420 . 5.300 3.914 3.595 4.074 . 0 0 "[ . 1 . 2]" 1
715 1 33 TYR HB2 1 70 THR H 4.280 . 5.300 5.010 4.706 5.286 . 0 0 "[ . 1 . 2]" 1
716 1 69 VAL HA 1 70 THR H 3.100 . 4.300 2.209 2.155 2.277 . 0 0 "[ . 1 . 2]" 1
717 1 69 VAL MG2 1 70 THR H 3.500 . 5.030 4.622 4.510 4.662 . 0 0 "[ . 1 . 2]" 1
718 1 35 TYR H 1 70 THR H 4.460 . 5.300 4.888 4.787 4.997 . 0 0 "[ . 1 . 2]" 1
719 1 44 ILE QG 1 47 ALA H 3.230 . 4.540 3.429 2.781 3.861 . 0 0 "[ . 1 . 2]" 1
720 1 46 ASP HB2 1 47 ALA H 4.150 . 5.300 3.369 2.368 4.683 . 0 0 "[ . 1 . 2]" 1
721 1 46 ASP HA 1 47 ALA H 3.670 . 5.300 3.331 2.456 3.587 . 0 0 "[ . 1 . 2]" 1
722 1 21 THR H 1 53 THR MG 3.150 . 4.390 3.794 3.643 4.016 . 0 0 "[ . 1 . 2]" 1
723 1 20 LEU HA 1 21 THR H 3.020 . 4.160 2.199 1.979 2.373 . 0 0 "[ . 1 . 2]" 1
724 1 20 LEU HG 1 21 THR H 3.320 . 4.700 4.677 4.072 4.824 0.124 19 0 "[ . 1 . 2]" 1
725 1 20 LEU HB2 1 21 THR H 3.760 . 5.300 4.371 3.876 4.745 . 0 0 "[ . 1 . 2]" 1
726 1 21 THR H 1 22 LEU H 4.200 . 5.300 4.335 4.082 4.469 . 0 0 "[ . 1 . 2]" 1
727 1 8 LEU H 1 8 LEU QD 3.720 . 5.300 2.075 1.861 2.611 0.129 17 0 "[ . 1 . 2]" 1
728 1 7 ASP QB 1 8 LEU H 4.200 . 5.300 2.730 2.126 3.889 . 0 0 "[ . 1 . 2]" 1
729 1 8 LEU H 1 80 THR HB 4.150 . 5.300 4.271 3.152 5.159 . 0 0 "[ . 1 . 2]" 1
730 1 7 ASP HA 1 8 LEU H 3.410 . 4.860 2.563 2.322 2.682 . 0 0 "[ . 1 . 2]" 1
731 1 4 LEU H 1 4 LEU HB2 4.280 . 5.300 3.470 3.297 3.689 . 0 0 "[ . 1 . 2]" 1
732 1 4 LEU H 1 4 LEU QD 4.420 . 5.300 1.961 1.704 2.388 0.276 11 0 "[ . 1 . 2]" 1
733 1 12 MET H 1 84 VAL QG 4.020 . 5.300 2.365 1.996 3.107 0.004 12 0 "[ . 1 . 2]" 1
734 1 12 MET H 1 83 ALA MB 3.850 . 5.300 4.268 3.819 4.498 . 0 0 "[ . 1 . 2]" 1
735 1 11 SER HB3 1 12 MET H 3.410 . 4.860 4.229 3.782 4.588 . 0 0 "[ . 1 . 2]" 1
736 1 12 MET H 1 84 VAL HA 3.800 . 5.300 2.540 2.246 2.926 . 0 0 "[ . 1 . 2]" 1
737 1 11 SER HA 1 12 MET H 2.970 . 4.070 2.359 2.280 2.428 . 0 0 "[ . 1 . 2]" 1
738 1 11 SER H 1 12 MET H 4.370 . 5.300 4.218 3.829 4.333 . 0 0 "[ . 1 . 2]" 1
739 1 12 MET H 1 85 THR H 3.850 . 5.300 3.900 3.737 4.172 . 0 0 "[ . 1 . 2]" 1
740 1 13 SER HB3 1 14 VAL H 3.320 . 4.700 4.010 3.571 4.380 . 0 0 "[ . 1 . 2]" 1
741 1 13 SER HA 1 14 VAL H 2.930 . 4.000 2.063 1.944 2.137 . 0 0 "[ . 1 . 2]" 1
742 1 79 SER HA 1 80 THR H 3.280 . 4.620 2.027 1.922 2.186 0.018 17 0 "[ . 1 . 2]" 1
743 1 8 LEU H 1 80 THR H 4.280 . 5.300 4.901 4.052 5.338 0.038 2 0 "[ . 1 . 2]" 1
744 1 52 TYR HB3 1 53 THR H 3.670 . 5.300 3.941 3.415 4.124 . 0 0 "[ . 1 . 2]" 1
745 1 52 TYR HA 1 53 THR H 2.970 . 4.070 2.307 2.222 2.438 . 0 0 "[ . 1 . 2]" 1
746 1 52 TYR QD 1 53 THR H 3.410 . 4.860 4.416 4.182 4.866 0.006 15 0 "[ . 1 . 2]" 1
747 1 53 THR H 1 54 LYS H 4.110 . 5.300 4.367 4.280 4.448 . 0 0 "[ . 1 . 2]" 1
748 1 67 VAL H 1 67 VAL MG1 3.320 . 4.700 2.550 2.316 3.503 . 0 0 "[ . 1 . 2]" 1
749 1 8 LEU QD 1 67 VAL H 3.320 . 4.700 4.020 3.670 4.339 . 0 0 "[ . 1 . 2]" 1
750 1 67 VAL H 1 79 SER QB 4.330 . 5.300 4.632 3.291 4.863 . 0 0 "[ . 1 . 2]" 1
751 1 2 LEU MD2 1 5 SER H 3.500 . 5.030 5.051 4.140 5.621 0.591 18 1 "[ . 1 . + 2]" 1
752 1 2 LEU HG 1 5 SER H 3.500 . 5.030 4.887 4.610 5.068 0.038 12 0 "[ . 1 . 2]" 1
753 1 4 LEU HA 1 5 SER H 3.280 . 4.620 2.397 2.184 2.484 . 0 0 "[ . 1 . 2]" 1
754 1 93 GLY QA 1 94 LEU H 3.670 . 4.700 2.583 2.132 2.880 . 0 0 "[ . 1 . 2]" 1
755 1 94 LEU HG 1 95 GLU H 4.370 . 5.300 4.523 2.784 5.246 . 0 0 "[ . 1 . 2]" 1
756 1 2 LEU MD1 1 3 THR H 3.320 . 4.700 2.760 1.981 4.662 . 0 0 "[ . 1 . 2]" 1
757 1 2 LEU HB2 1 3 THR H 4.370 . 5.300 4.371 4.155 4.536 . 0 0 "[ . 1 . 2]" 1
758 1 3 THR H 1 4 LEU HA 4.460 . 5.300 5.252 4.852 5.388 0.088 17 0 "[ . 1 . 2]" 1
759 1 3 THR H 1 7 ASP H 4.110 . 5.300 5.462 5.308 5.501 0.201 2 0 "[ . 1 . 2]" 1
760 1 27 THR HB 1 30 THR H 3.760 . 5.300 2.904 2.783 3.071 . 0 0 "[ . 1 . 2]" 1
761 1 75 VAL MG1 1 76 SER H 2.890 . 3.930 3.721 3.672 3.786 . 0 0 "[ . 1 . 2]" 1
762 1 75 VAL HB 1 76 SER H 3.930 . 5.300 3.242 3.134 3.369 . 0 0 "[ . 1 . 2]" 1
763 1 75 VAL HA 1 76 SER H 2.890 . 3.930 2.131 2.045 2.300 . 0 0 "[ . 1 . 2]" 1
764 1 49 GLY HA3 1 50 ALA H 3.500 . 5.030 2.570 2.156 3.407 . 0 0 "[ . 1 . 2]" 1
765 1 49 GLY HA2 1 50 ALA H 3.540 . 5.110 3.269 1.949 3.595 0.021 2 0 "[ . 1 . 2]" 1
766 1 35 TYR QE 1 50 ALA H 4.110 . 5.300 3.374 2.424 4.596 . 0 0 "[ . 1 . 2]" 1
767 1 35 TYR QD 1 50 ALA H 4.020 . 5.300 4.030 2.848 4.748 . 0 0 "[ . 1 . 2]" 1
768 1 48 SER HA 1 50 ALA H 4.720 . 5.300 4.952 3.914 5.350 0.050 8 0 "[ . 1 . 2]" 1
769 1 13 SER H 1 14 VAL MG1 4.810 . 5.300 4.394 4.056 4.732 . 0 0 "[ . 1 . 2]" 1
770 1 12 MET HB3 1 13 SER H 3.890 . 5.300 4.303 3.182 4.576 . 0 0 "[ . 1 . 2]" 1
771 1 12 MET HA 1 13 SER H 3.150 . 4.390 2.270 2.114 2.356 . 0 0 "[ . 1 . 2]" 1
772 1 14 VAL MG1 1 19 ALA H 4.020 . 5.300 3.894 3.194 4.339 . 0 0 "[ . 1 . 2]" 1
773 1 18 ALA MB 1 19 ALA H 2.840 . 3.850 2.345 2.114 2.788 . 0 0 "[ . 1 . 2]" 1
774 1 12 MET HB3 1 19 ALA H 4.200 . 5.300 2.640 2.145 3.739 . 0 0 "[ . 1 . 2]" 1
775 1 18 ALA HA 1 19 ALA H 2.970 . 4.070 2.389 2.144 2.533 . 0 0 "[ . 1 . 2]" 1
776 1 12 MET H 1 19 ALA H 3.500 . 5.030 5.267 5.146 5.373 0.343 12 0 "[ . 1 . 2]" 1
777 1 19 ALA H 1 57 ALA H 4.720 . 5.300 5.184 4.894 5.337 0.037 12 0 "[ . 1 . 2]" 1
778 1 19 ALA H 1 56 THR HA 4.020 . 5.300 5.463 5.424 5.508 0.208 19 0 "[ . 1 . 2]" 1
779 1 35 TYR H 1 35 TYR QD 3.320 . 4.700 2.316 1.917 3.019 0.023 17 0 "[ . 1 . 2]" 1
780 1 10 ALA H 1 82 CYS QB 4.200 . 5.300 4.126 3.542 4.944 . 0 0 "[ . 1 . 2]" 1
781 1 32 PRO HB2 1 33 TYR H 3.760 . 5.300 3.002 2.517 3.212 . 0 0 "[ . 1 . 2]" 1
782 1 38 THR MG 1 42 SER H 3.580 . 5.190 4.542 4.091 4.939 . 0 0 "[ . 1 . 2]" 1
783 1 39 LYS QB 1 42 SER H 4.200 . 5.300 3.908 2.605 4.527 . 0 0 "[ . 1 . 2]" 1
784 1 41 GLY HA3 1 42 SER H 3.980 . 5.300 3.269 3.131 3.366 . 0 0 "[ . 1 . 2]" 1
785 1 41 GLY HA2 1 42 SER H 4.110 . 5.300 3.317 3.236 3.422 . 0 0 "[ . 1 . 2]" 1
786 1 39 LYS H 1 42 SER H 3.410 . 4.860 3.750 3.552 3.893 . 0 0 "[ . 1 . 2]" 1
787 1 40 ASP H 1 42 SER H 4.630 . 5.300 4.355 4.168 4.508 . 0 0 "[ . 1 . 2]" 1
788 1 67 VAL MG1 1 79 SER H 3.670 . 5.300 2.774 2.320 3.391 . 0 0 "[ . 1 . 2]" 1
789 1 8 LEU QD 1 79 SER H 3.500 . 5.030 4.452 4.158 4.765 . 0 0 "[ . 1 . 2]" 1
790 1 78 ASP HB2 1 79 SER H 3.230 . 4.540 3.371 2.767 4.041 . 0 0 "[ . 1 . 2]" 1
791 1 79 SER H 1 79 SER QB 3.850 . 5.300 3.066 2.315 3.270 . 0 0 "[ . 1 . 2]" 1
792 1 78 ASP HA 1 79 SER H 2.970 . 4.070 2.157 1.935 2.334 . 0 0 "[ . 1 . 2]" 1
793 1 67 VAL H 1 79 SER H 3.800 . 5.300 2.936 2.790 3.069 . 0 0 "[ . 1 . 2]" 1
794 1 44 ILE MD 1 48 SER H 4.200 . 5.300 4.901 3.083 5.338 0.038 4 0 "[ . 1 . 2]" 1
795 1 44 ILE QG 1 48 SER H 4.550 . 5.300 4.760 4.150 5.151 . 0 0 "[ . 1 . 2]" 1
796 1 88 PRO HA 1 89 THR H 3.020 . 4.160 2.670 2.624 2.714 . 0 0 "[ . 1 . 2]" 1
797 1 89 THR H 1 90 VAL H 3.500 . 5.030 4.575 4.527 4.626 . 0 0 "[ . 1 . 2]" 1
798 1 88 PRO HB2 1 89 THR H 3.540 . 5.110 2.895 2.806 3.172 . 0 0 "[ . 1 . 2]" 1
799 1 58 ALA MB 1 61 ASP H 3.720 . 5.300 3.749 3.544 3.944 . 0 0 "[ . 1 . 2]" 1
800 1 59 ALA HA 1 61 ASP H 4.200 . 5.300 3.843 3.638 4.054 . 0 0 "[ . 1 . 2]" 1
801 1 60 GLU HA 1 61 ASP H 3.580 . 5.190 3.309 3.158 3.429 . 0 0 "[ . 1 . 2]" 1
802 1 61 ASP H 1 62 ALA H 3.020 . 4.160 2.459 2.122 2.676 . 0 0 "[ . 1 . 2]" 1
803 1 58 ALA H 1 61 ASP H 4.110 . 5.300 3.959 3.759 4.184 . 0 0 "[ . 1 . 2]" 1
804 1 39 LYS QB 1 64 SER H 4.200 . 5.300 4.029 2.771 4.744 . 0 0 "[ . 1 . 2]" 1
805 1 64 SER H 1 66 LYS HE3 4.460 . 5.300 3.594 3.523 3.680 . 0 0 "[ . 1 . 2]" 1
806 1 63 GLY HA3 1 64 SER H 3.410 . 4.860 2.111 2.030 2.215 . 0 0 "[ . 1 . 2]" 1
807 1 63 GLY HA2 1 64 SER H 3.370 . 4.790 2.896 2.748 3.200 . 0 0 "[ . 1 . 2]" 1
808 1 64 SER H 1 83 ALA HA 4.630 . 5.300 4.872 4.765 4.954 . 0 0 "[ . 1 . 2]" 1
809 1 40 ASP H 1 64 SER H 3.760 . 5.300 3.591 3.396 3.767 . 0 0 "[ . 1 . 2]" 1
810 1 23 SER H 1 24 VAL MG1 2.970 . 4.070 3.911 3.629 4.078 0.008 6 0 "[ . 1 . 2]" 1
811 1 22 LEU HB3 1 23 SER H 3.320 . 4.700 3.793 3.652 4.013 . 0 0 "[ . 1 . 2]" 1
812 1 8 LEU HA 1 23 SER H 4.630 . 5.300 3.681 2.987 4.398 . 0 0 "[ . 1 . 2]" 1
813 1 22 LEU HA 1 23 SER H 3.540 . 5.110 2.308 2.125 2.443 . 0 0 "[ . 1 . 2]" 1
814 1 23 SER H 1 51 THR HA 4.460 . 5.300 4.758 4.665 4.916 . 0 0 "[ . 1 . 2]" 1
815 1 23 SER H 1 37 TRP HH2 4.200 . 5.300 3.346 2.938 3.801 . 0 0 "[ . 1 . 2]" 1
816 1 44 ILE QG 1 46 ASP H 3.410 . 4.860 4.137 2.323 4.666 . 0 0 "[ . 1 . 2]" 1
817 1 44 ILE HB 1 46 ASP H 3.580 . 5.190 4.714 3.771 5.181 . 0 0 "[ . 1 . 2]" 1
818 1 24 VAL HB 1 25 THR H 3.540 . 5.110 2.289 2.157 2.542 . 0 0 "[ . 1 . 2]" 1
819 1 24 VAL HA 1 25 THR H 3.230 . 4.540 2.693 2.527 2.775 . 0 0 "[ . 1 . 2]" 1
820 1 46 ASP H 1 47 ALA H 3.580 . 5.190 3.234 1.985 3.846 . 0 0 "[ . 1 . 2]" 1
821 1 17 GLY H 1 57 ALA MB 3.540 . 5.110 3.689 3.549 3.875 . 0 0 "[ . 1 . 2]" 1
822 1 17 GLY H 1 56 THR HA 3.930 . 5.300 4.249 3.935 4.534 . 0 0 "[ . 1 . 2]" 1
823 1 17 GLY H 1 58 ALA HA 4.020 . 5.300 4.429 3.929 4.916 . 0 0 "[ . 1 . 2]" 1
824 1 17 GLY H 1 18 ALA H 3.320 . 4.700 1.997 1.890 2.162 0.050 6 0 "[ . 1 . 2]" 1
825 1 17 GLY H 1 57 ALA H 3.800 . 5.300 3.478 3.296 3.734 . 0 0 "[ . 1 . 2]" 1
826 1 23 SER HB3 1 24 VAL H 3.410 . 4.860 3.925 3.113 4.236 . 0 0 "[ . 1 . 2]" 1
827 1 24 VAL H 1 51 THR HA 3.850 . 5.300 3.418 3.244 3.610 . 0 0 "[ . 1 . 2]" 1
828 1 24 VAL H 1 37 TRP HZ2 4.630 . 5.300 4.255 3.942 4.549 . 0 0 "[ . 1 . 2]" 1
829 1 24 VAL H 1 52 TYR H 4.550 . 5.300 5.154 5.038 5.340 0.040 5 0 "[ . 1 . 2]" 1
830 1 24 VAL H 1 37 TRP HH2 4.370 . 5.300 3.815 3.139 4.380 . 0 0 "[ . 1 . 2]" 1
831 1 87 ASN HB3 1 87 ASN HD22 3.580 . 5.190 3.847 3.643 4.125 . 0 0 "[ . 1 . 2]" 1
832 1 87 ASN HD22 1 91 PRO HD2 3.760 . 5.300 4.995 4.620 5.352 0.052 14 0 "[ . 1 . 2]" 1
833 1 87 ASN H 1 87 ASN HD22 4.200 . 5.300 4.192 3.582 4.549 . 0 0 "[ . 1 . 2]" 1
834 1 87 ASN HA 1 87 ASN HD22 4.630 . 5.300 4.952 4.808 5.168 . 0 0 "[ . 1 . 2]" 1
835 1 87 ASN HB3 1 87 ASN HD21 4.070 . 5.300 3.040 2.593 3.614 . 0 0 "[ . 1 . 2]" 1
836 1 87 ASN HD21 1 91 PRO HD2 3.500 . 5.030 3.889 3.534 4.811 . 0 0 "[ . 1 . 2]" 1
837 1 87 ASN HD21 1 90 VAL HA 4.630 . 5.300 3.748 3.298 4.460 . 0 0 "[ . 1 . 2]" 1
838 1 87 ASN HD21 1 90 VAL H 4.720 . 5.300 5.045 4.259 5.369 0.069 18 0 "[ . 1 . 2]" 1
839 1 87 ASN H 1 87 ASN HD21 4.550 . 5.300 3.916 2.831 4.370 . 0 0 "[ . 1 . 2]" 1
840 1 59 ALA MB 1 60 GLU H 2.710 . 3.630 2.584 2.414 2.806 . 0 0 "[ . 1 . 2]" 1
841 1 60 GLU H 1 61 ASP HB2 4.460 . 5.300 4.966 4.892 5.059 . 0 0 "[ . 1 . 2]" 1
842 1 59 ALA HA 1 60 GLU H 3.760 . 5.300 3.604 3.560 3.634 . 0 0 "[ . 1 . 2]" 1
843 1 60 GLU H 1 62 ALA H 4.240 . 5.300 4.230 4.089 4.350 . 0 0 "[ . 1 . 2]" 1
844 1 60 GLU H 1 61 ASP H 3.370 . 4.790 2.677 2.598 2.789 . 0 0 "[ . 1 . 2]" 1
845 1 58 ALA H 1 60 GLU H 5.070 . 5.300 5.273 5.083 5.329 0.029 6 0 "[ . 1 . 2]" 1
846 1 26 ALA MB 1 27 THR H 2.970 . 4.070 2.591 2.479 2.790 . 0 0 "[ . 1 . 2]" 1
847 1 26 ALA HA 1 27 THR H 3.180 . 4.440 1.977 1.934 2.073 . 0 0 "[ . 1 . 2]" 1
848 1 27 THR H 1 34 THR H 3.760 . 5.300 4.812 4.690 4.939 . 0 0 "[ . 1 . 2]" 1
849 1 38 THR H 1 67 VAL HB 4.630 . 5.300 4.030 3.482 4.975 . 0 0 "[ . 1 . 2]" 1
850 1 38 THR H 1 67 VAL MG2 4.630 . 5.300 4.260 3.132 4.643 . 0 0 "[ . 1 . 2]" 1
851 1 22 LEU QD 1 38 THR H 4.280 . 5.300 4.531 4.118 5.211 . 0 0 "[ . 1 . 2]" 1
852 1 38 THR H 1 44 ILE MG 3.580 . 5.190 3.184 2.953 3.474 . 0 0 "[ . 1 . 2]" 1
853 1 38 THR H 1 44 ILE QG 4.110 . 5.300 4.255 3.751 5.098 . 0 0 "[ . 1 . 2]" 1
854 1 37 TRP QB 1 38 THR H 3.410 . 4.860 3.056 2.719 3.372 . 0 0 "[ . 1 . 2]" 1
855 1 38 THR H 1 67 VAL HA 3.500 . 5.030 3.373 3.206 3.542 . 0 0 "[ . 1 . 2]" 1
856 1 38 THR H 1 65 TYR HA 4.200 . 5.300 4.937 4.711 5.307 0.007 17 0 "[ . 1 . 2]" 1
857 1 37 TRP HE3 1 38 THR H 3.930 . 5.300 4.196 3.625 4.713 . 0 0 "[ . 1 . 2]" 1
858 1 38 THR H 1 66 LYS H 3.410 . 4.860 3.179 3.084 3.269 . 0 0 "[ . 1 . 2]" 1
859 1 34 THR H 1 69 VAL MG1 4.110 . 5.300 3.646 3.471 3.819 . 0 0 "[ . 1 . 2]" 1
860 1 33 TYR HA 1 34 THR H 3.280 . 4.620 2.230 2.132 2.285 . 0 0 "[ . 1 . 2]" 1
861 1 33 TYR QD 1 34 THR H 3.670 . 5.300 3.643 3.512 3.893 . 0 0 "[ . 1 . 2]" 1
862 1 33 TYR H 1 34 THR H 3.850 . 5.300 4.087 4.028 4.138 . 0 0 "[ . 1 . 2]" 1
863 1 34 THR H 1 70 THR H 3.500 . 5.030 2.794 2.563 2.947 . 0 0 "[ . 1 . 2]" 1
864 1 26 ALA MB 1 34 THR H 4.280 . 5.300 5.273 5.097 5.407 0.107 3 0 "[ . 1 . 2]" 1
865 1 74 GLN HA 1 74 GLN HE22 4.630 . 5.300 3.436 3.102 3.816 . 0 0 "[ . 1 . 2]" 1
866 1 30 THR MG 1 72 SER H 4.110 . 5.300 4.261 4.118 4.548 . 0 0 "[ . 1 . 2]" 1
867 1 71 ASP HB3 1 72 SER H 3.500 . 5.030 3.413 3.359 3.462 . 0 0 "[ . 1 . 2]" 1
868 1 71 ASP HB2 1 72 SER H 3.760 . 5.300 1.873 1.843 1.910 0.147 20 0 "[ . 1 . 2]" 1
869 1 71 ASP HA 1 72 SER H 3.630 . 5.280 2.596 2.487 2.780 . 0 0 "[ . 1 . 2]" 1
870 1 33 TYR QD 1 72 SER H 3.930 . 5.300 5.346 5.314 5.380 0.080 15 0 "[ . 1 . 2]" 1
871 1 72 SER H 1 74 GLN H 4.720 . 5.300 4.146 4.097 4.229 . 0 0 "[ . 1 . 2]" 1
872 1 71 ASP H 1 72 SER H 4.550 . 5.300 4.390 4.318 4.445 . 0 0 "[ . 1 . 2]" 1
873 1 70 THR MG 1 74 GLN HE21 4.370 . 5.300 3.618 2.405 4.655 . 0 0 "[ . 1 . 2]" 1
874 1 47 ALA MB 1 49 GLY H 4.370 . 5.300 4.592 3.745 5.306 0.006 12 0 "[ . 1 . 2]" 1
875 1 48 SER HA 1 49 GLY H 4.240 . 5.300 2.661 2.398 3.335 . 0 0 "[ . 1 . 2]" 1
876 1 35 TYR QD 1 49 GLY H 4.460 . 5.300 3.792 3.059 4.889 . 0 0 "[ . 1 . 2]" 1
877 1 49 GLY H 1 50 ALA H 4.500 . 5.300 2.626 2.132 3.235 . 0 0 "[ . 1 . 2]" 1
878 1 37 TRP HE1 1 49 GLY H 4.460 . 5.300 3.126 2.545 3.721 . 0 0 "[ . 1 . 2]" 1
879 1 70 THR MG 1 74 GLN H 3.320 . 4.700 3.763 3.644 4.010 . 0 0 "[ . 1 . 2]" 1
880 1 72 SER HB2 1 74 GLN H 4.370 . 5.300 5.035 4.953 5.159 . 0 0 "[ . 1 . 2]" 1
881 1 73 LYS HA 1 74 GLN H 3.670 . 5.300 3.168 3.135 3.201 . 0 0 "[ . 1 . 2]" 1
882 1 73 LYS H 1 74 GLN H 2.710 . 3.630 1.921 1.857 1.959 . 0 0 "[ . 1 . 2]" 1
883 1 71 ASP H 1 74 GLN H 4.280 . 5.300 4.413 4.358 4.517 . 0 0 "[ . 1 . 2]" 1
884 1 8 LEU QD 1 9 THR H 3.720 . 5.300 3.063 1.983 4.250 0.007 14 0 "[ . 1 . 2]" 1
885 1 9 THR H 1 9 THR MG 3.230 . 4.540 4.037 3.811 4.201 . 0 0 "[ . 1 . 2]" 1
886 1 6 LYS QD 1 9 THR H 3.150 . 4.390 4.456 4.387 4.599 0.209 14 0 "[ . 1 . 2]" 1
887 1 9 THR H 1 82 CYS QB 4.460 . 5.300 3.259 2.731 3.882 . 0 0 "[ . 1 . 2]" 1
888 1 9 THR H 1 80 THR HB 4.460 . 5.300 4.436 3.764 4.790 . 0 0 "[ . 1 . 2]" 1
889 1 8 LEU H 1 9 THR H 4.280 . 5.300 2.819 2.468 2.978 . 0 0 "[ . 1 . 2]" 1
890 1 9 THR H 1 21 THR H 4.370 . 5.300 5.372 5.244 5.478 0.178 19 0 "[ . 1 . 2]" 1
891 1 9 THR H 1 82 CYS HA 4.200 . 5.300 4.797 4.287 5.363 0.063 14 0 "[ . 1 . 2]" 1
892 1 11 SER H 1 84 VAL QG 3.930 . 5.300 4.789 4.343 5.209 . 0 0 "[ . 1 . 2]" 1
893 1 10 ALA MB 1 11 SER H 3.230 . 4.540 2.750 2.562 2.914 . 0 0 "[ . 1 . 2]" 1
894 1 10 ALA HA 1 11 SER H 3.720 . 5.300 3.685 3.632 3.726 . 0 0 "[ . 1 . 2]" 1
895 1 10 ALA H 1 11 SER H 3.060 . 4.230 2.233 2.011 2.551 . 0 0 "[ . 1 . 2]" 1
896 1 91 PRO HA 1 92 GLY H 4.280 . 5.300 2.268 2.147 2.374 . 0 0 "[ . 1 . 2]" 1
897 1 50 ALA MB 1 51 THR H 3.150 . 4.390 2.494 2.161 3.272 . 0 0 "[ . 1 . 2]" 1
898 1 50 ALA HA 1 51 THR H 3.670 . 5.300 3.653 3.551 3.696 . 0 0 "[ . 1 . 2]" 1
899 1 49 GLY HA2 1 51 THR H 3.850 . 5.300 5.013 4.385 5.333 0.033 2 0 "[ . 1 . 2]" 1
900 1 23 SER HA 1 51 THR H 4.810 . 5.300 4.666 4.504 4.830 . 0 0 "[ . 1 . 2]" 1
901 1 50 ALA H 1 51 THR H 3.060 . 4.230 3.343 2.680 4.235 0.005 2 0 "[ . 1 . 2]" 1
902 1 24 VAL H 1 51 THR H 4.810 . 5.300 4.663 4.530 4.933 . 0 0 "[ . 1 . 2]" 1
903 1 63 GLY H 1 84 VAL QG 3.320 . 4.700 2.520 2.108 3.461 . 0 0 "[ . 1 . 2]" 1
904 1 39 LYS QB 1 63 GLY H 3.850 . 5.300 2.512 2.107 3.418 . 0 0 "[ . 1 . 2]" 1
905 1 62 ALA MB 1 63 GLY H 2.970 . 4.070 2.871 2.357 3.474 . 0 0 "[ . 1 . 2]" 1
906 1 63 GLY H 1 84 VAL HB 3.760 . 5.300 4.216 2.739 4.725 . 0 0 "[ . 1 . 2]" 1
907 1 63 GLY H 1 65 TYR QE 3.760 . 5.300 4.613 3.828 5.202 . 0 0 "[ . 1 . 2]" 1
908 1 63 GLY H 1 65 TYR QD 4.460 . 5.300 4.798 4.018 5.310 0.010 20 0 "[ . 1 . 2]" 1
909 1 63 GLY H 1 64 SER H 4.020 . 5.300 4.358 4.263 4.499 . 0 0 "[ . 1 . 2]" 1
910 1 63 GLY H 1 84 VAL H 3.580 . 5.190 3.136 3.028 3.266 . 0 0 "[ . 1 . 2]" 1
911 1 53 THR MG 1 56 THR H 4.630 . 5.300 5.297 5.126 5.350 0.050 13 0 "[ . 1 . 2]" 1
912 1 55 PRO HB3 1 56 THR H 3.760 . 5.300 4.329 4.014 4.584 . 0 0 "[ . 1 . 2]" 1
913 1 54 LYS QE 1 56 THR H 4.550 . 5.300 4.846 4.317 5.221 . 0 0 "[ . 1 . 2]" 1
914 1 19 ALA HA 1 56 THR H 3.930 . 5.300 4.021 3.869 4.248 . 0 0 "[ . 1 . 2]" 1
915 1 54 LYS HA 1 56 THR H 3.850 . 5.300 3.597 3.211 3.909 . 0 0 "[ . 1 . 2]" 1
916 1 20 LEU H 1 56 THR H 4.810 . 5.300 4.970 4.608 5.281 . 0 0 "[ . 1 . 2]" 1
917 1 56 THR H 1 57 ALA H 3.890 . 5.300 3.619 3.433 3.925 . 0 0 "[ . 1 . 2]" 1
918 1 28 GLY HA3 1 29 GLY H 4.460 . 5.300 3.526 3.508 3.566 . 0 0 "[ . 1 . 2]" 1
919 1 28 GLY HA2 1 29 GLY H 4.460 . 5.300 2.759 2.691 2.836 . 0 0 "[ . 1 . 2]" 1
920 1 38 THR MG 1 41 GLY H 4.110 . 5.300 5.246 4.951 5.385 0.085 12 0 "[ . 1 . 2]" 1
921 1 41 GLY H 1 66 LYS HD3 4.900 . 5.300 5.488 5.437 5.558 0.258 15 0 "[ . 1 . 2]" 1
922 1 40 ASP H 1 41 GLY H 3.850 . 5.300 3.510 3.359 3.622 . 0 0 "[ . 1 . 2]" 1
923 1 65 TYR QD 1 84 VAL H 4.280 . 5.300 3.874 3.574 4.243 . 0 0 "[ . 1 . 2]" 1
924 1 65 TYR QE 1 84 VAL H 4.460 . 5.300 4.876 4.213 5.311 0.011 16 0 "[ . 1 . 2]" 1
925 1 62 ALA HA 1 84 VAL H 4.590 . 5.300 4.652 4.243 4.876 . 0 0 "[ . 1 . 2]" 1
926 1 84 VAL H 1 85 THR H 4.420 . 5.300 4.283 4.104 4.388 . 0 0 "[ . 1 . 2]" 1
927 1 84 VAL HB 1 85 THR H 4.550 . 5.300 3.633 3.117 4.681 . 0 0 "[ . 1 . 2]" 1
928 1 12 MET H 1 13 SER H 3.850 . 5.300 4.175 4.011 4.466 . 0 0 "[ . 1 . 2]" 1
929 1 66 LYS HG3 1 83 ALA H 3.930 . 5.300 3.897 3.636 4.434 . 0 0 "[ . 1 . 2]" 1
930 1 82 CYS QB 1 83 ALA H 4.280 . 5.300 3.998 3.584 4.123 . 0 0 "[ . 1 . 2]" 1
931 1 11 SER QB 1 83 ALA H 3.850 . 5.300 3.257 2.483 4.786 . 0 0 "[ . 1 . 2]" 1
932 1 82 CYS HA 1 83 ALA H 2.890 . 3.930 2.333 2.215 2.417 . 0 0 "[ . 1 . 2]" 1
933 1 11 SER HA 1 83 ALA H 3.370 . 4.790 2.634 2.470 3.101 . 0 0 "[ . 1 . 2]" 1
934 1 11 SER H 1 83 ALA H 4.460 . 5.300 4.404 4.190 4.555 . 0 0 "[ . 1 . 2]" 1
935 1 82 CYS H 1 83 ALA H 4.020 . 5.300 3.906 3.864 3.943 . 0 0 "[ . 1 . 2]" 1
936 1 10 ALA HA 1 83 ALA H 3.580 . 5.190 3.731 3.088 4.072 . 0 0 "[ . 1 . 2]" 1
937 1 81 THR HB 1 82 CYS H 4.110 . 5.300 3.823 3.725 3.908 . 0 0 "[ . 1 . 2]" 1
938 1 23 SER H 1 52 TYR H 4.280 . 5.300 4.546 4.489 4.629 . 0 0 "[ . 1 . 2]" 1
939 1 65 TYR H 1 65 TYR QE 4.460 . 5.300 4.912 4.625 5.200 . 0 0 "[ . 1 . 2]" 1
940 1 39 LYS QB 1 65 TYR H 4.370 . 5.300 3.956 3.324 4.608 . 0 0 "[ . 1 . 2]" 1
941 1 58 ALA H 1 61 ASP HB3 4.020 . 5.300 3.819 3.468 4.381 . 0 0 "[ . 1 . 2]" 1
942 1 40 ASP HA 1 41 GLY H 3.060 . 4.230 1.857 1.836 1.880 0.054 5 0 "[ . 1 . 2]" 1
943 1 63 GLY H 1 83 ALA HA 4.370 . 5.300 4.852 4.708 4.953 . 0 0 "[ . 1 . 2]" 1
944 1 62 ALA HA 1 63 GLY H 2.970 . 4.070 2.306 2.160 2.503 . 0 0 "[ . 1 . 2]" 1
945 1 56 THR H 1 56 THR HA 2.710 . 3.630 2.534 2.442 2.612 . 0 0 "[ . 1 . 2]" 1
946 1 51 THR H 1 51 THR HB 3.280 . 4.620 3.308 3.188 3.591 . 0 0 "[ . 1 . 2]" 1
947 1 51 THR H 1 51 THR MG 3.670 . 5.300 2.452 2.323 2.830 . 0 0 "[ . 1 . 2]" 1
948 1 9 THR H 1 9 THR HA 2.710 . 3.630 2.763 2.618 2.822 . 0 0 "[ . 1 . 2]" 1
949 1 74 GLN H 1 74 GLN HB3 3.060 . 4.230 3.783 3.711 3.864 . 0 0 "[ . 1 . 2]" 1
950 1 47 ALA HA 1 49 GLY H 3.410 . 4.860 4.063 3.170 4.706 . 0 0 "[ . 1 . 2]" 1
951 1 29 GLY HA2 1 74 GLN HE22 3.320 . 4.700 4.098 3.798 4.701 0.001 9 0 "[ . 1 . 2]" 1
952 1 70 THR MG 1 74 GLN HE22 4.370 . 5.300 3.842 3.349 4.555 . 0 0 "[ . 1 . 2]" 1
953 1 74 GLN H 1 74 GLN HE22 4.680 . 5.300 4.240 3.386 4.824 . 0 0 "[ . 1 . 2]" 1
954 1 72 SER H 1 74 GLN HE22 5.070 . 5.300 4.633 3.683 5.316 0.016 3 0 "[ . 1 . 2]" 1
955 1 74 GLN HE21 1 74 GLN HG3 3.930 . 5.300 2.828 2.173 3.480 . 0 0 "[ . 1 . 2]" 1
956 1 74 GLN HA 1 74 GLN HE21 4.900 . 5.300 2.926 2.186 3.585 . 0 0 "[ . 1 . 2]" 1
957 1 29 GLY HA2 1 74 GLN HE21 3.410 . 4.860 4.757 4.523 4.907 0.047 5 0 "[ . 1 . 2]" 1
958 1 34 THR H 1 70 THR HB 4.370 . 5.300 3.432 3.350 3.536 . 0 0 "[ . 1 . 2]" 1
959 1 34 THR H 1 34 THR MG 3.540 . 5.110 2.105 2.044 2.182 . 0 0 "[ . 1 . 2]" 1
960 1 85 THR MG 1 87 ASN HD22 4.810 . 5.300 4.203 3.253 4.934 . 0 0 "[ . 1 . 2]" 1
961 1 85 THR MG 1 87 ASN HD21 4.280 . 5.300 5.084 4.373 5.409 0.109 14 0 "[ . 1 . 2]" 1
962 1 37 TRP HA 1 38 THR H 3.060 . 4.230 2.360 2.298 2.488 . 0 0 "[ . 1 . 2]" 1
963 1 27 THR H 1 27 THR HB 4.020 . 5.300 3.457 2.905 3.966 . 0 0 "[ . 1 . 2]" 1
964 1 27 THR H 1 27 THR MG 3.230 . 4.540 3.723 3.390 4.061 . 0 0 "[ . 1 . 2]" 1
965 1 60 GLU H 1 60 GLU HB3 3.150 . 4.390 3.105 2.522 3.629 . 0 0 "[ . 1 . 2]" 1
966 1 23 SER HA 1 24 VAL H 3.020 . 4.160 2.088 2.001 2.169 . 0 0 "[ . 1 . 2]" 1
967 1 16 GLU HA 1 17 GLY H 3.060 . 4.230 1.882 1.843 1.937 0.047 14 0 "[ . 1 . 2]" 1
968 1 23 SER H 1 37 TRP HE3 4.810 . 5.300 5.212 4.901 5.407 0.107 17 0 "[ . 1 . 2]" 1
969 1 23 SER H 1 23 SER HB3 3.230 . 4.540 3.205 2.799 3.960 . 0 0 "[ . 1 . 2]" 1
970 1 25 THR H 1 25 THR HB 3.670 . 5.300 3.092 2.968 3.395 . 0 0 "[ . 1 . 2]" 1
971 1 61 ASP H 1 61 ASP HB2 3.670 . 5.300 2.650 2.461 2.762 . 0 0 "[ . 1 . 2]" 1
972 1 61 ASP H 1 61 ASP HB3 3.320 . 4.700 3.796 3.723 3.896 . 0 0 "[ . 1 . 2]" 1
973 1 89 THR H 1 89 THR HB 3.320 . 4.700 3.568 2.894 3.697 . 0 0 "[ . 1 . 2]" 1
974 1 47 ALA MB 1 48 SER H 3.930 . 5.300 2.232 1.938 2.694 0.062 15 0 "[ . 1 . 2]" 1
975 1 10 ALA H 1 10 ALA MB 2.840 . 3.850 2.617 2.536 2.711 . 0 0 "[ . 1 . 2]" 1
976 1 19 ALA H 1 19 ALA MB 2.710 . 3.630 2.503 2.224 2.615 . 0 0 "[ . 1 . 2]" 1
977 1 13 SER H 1 13 SER HB3 3.410 . 4.860 3.328 2.677 3.830 . 0 0 "[ . 1 . 2]" 1
978 1 24 VAL HA 1 50 ALA H 4.200 . 5.300 5.387 5.308 5.491 0.191 15 0 "[ . 1 . 2]" 1
979 1 50 ALA H 1 50 ALA MB 2.970 . 4.070 3.211 2.945 3.320 . 0 0 "[ . 1 . 2]" 1
980 1 29 GLY HA2 1 30 THR H 4.810 . 5.300 2.927 2.823 3.202 . 0 0 "[ . 1 . 2]" 1
981 1 30 THR H 1 72 SER H 4.900 . 5.300 4.744 4.494 5.140 . 0 0 "[ . 1 . 2]" 1
982 1 30 THR H 1 71 ASP HB2 4.900 . 5.300 4.625 4.434 4.780 . 0 0 "[ . 1 . 2]" 1
983 1 30 THR H 1 71 ASP HB3 4.810 . 5.300 5.407 5.391 5.426 0.126 3 0 "[ . 1 . 2]" 1
984 1 30 THR H 1 30 THR MG 4.630 . 5.300 3.436 2.948 3.851 . 0 0 "[ . 1 . 2]" 1
985 1 3 THR H 1 3 THR HB 3.850 . 5.300 2.493 2.133 2.726 . 0 0 "[ . 1 . 2]" 1
986 1 3 THR H 1 3 THR MG 3.410 . 4.860 2.046 1.915 2.757 0.045 1 0 "[ . 1 . 2]" 1
987 1 2 LEU HA 1 3 THR H 3.100 . 4.300 2.278 2.157 2.419 . 0 0 "[ . 1 . 2]" 1
988 1 92 GLY HA2 1 95 GLU H 3.230 . 4.540 3.469 2.960 4.369 . 0 0 "[ . 1 . 2]" 1
989 1 4 LEU HB3 1 5 SER H 3.850 . 5.300 4.726 4.504 4.831 . 0 0 "[ . 1 . 2]" 1
990 1 66 LYS HA 1 67 VAL H 3.060 . 4.230 2.223 2.104 2.303 . 0 0 "[ . 1 . 2]" 1
991 1 67 VAL H 1 78 ASP HA 4.550 . 5.300 4.580 4.250 4.814 . 0 0 "[ . 1 . 2]" 1
992 1 67 VAL H 1 67 VAL MG2 4.460 . 5.300 4.126 3.880 4.221 . 0 0 "[ . 1 . 2]" 1
993 1 67 VAL H 1 78 ASP HB2 4.720 . 5.300 4.884 4.133 6.245 0.945 4 2 "[ +.- 1 . 2]" 1
994 1 53 THR H 1 53 THR HB 3.720 . 5.300 2.796 2.606 2.906 . 0 0 "[ . 1 . 2]" 1
995 1 53 THR H 1 54 LYS QD 4.630 . 5.300 4.716 3.866 5.192 . 0 0 "[ . 1 . 2]" 1
996 1 53 THR H 1 53 THR MG 3.410 . 4.860 4.014 3.921 4.060 . 0 0 "[ . 1 . 2]" 1
997 1 12 MET H 1 12 MET HB3 3.760 . 5.300 3.002 2.746 3.843 . 0 0 "[ . 1 . 2]" 1
998 1 14 VAL H 1 85 THR HB 4.370 . 5.300 3.115 2.543 5.281 . 0 0 "[ . 1 . 2]" 1
999 1 14 VAL H 1 14 VAL HB 3.500 . 5.030 3.238 3.086 3.335 . 0 0 "[ . 1 . 2]" 1
1000 1 14 VAL H 1 85 THR MG 3.930 . 5.300 3.743 2.894 4.130 . 0 0 "[ . 1 . 2]" 1
1001 1 8 LEU H 1 67 VAL MG1 4.980 . 5.300 5.347 5.235 5.495 0.195 10 0 "[ . 1 . 2]" 1
1002 1 8 LEU H 1 8 LEU HB2 3.320 . 4.700 3.175 2.216 3.658 . 0 0 "[ . 1 . 2]" 1
1003 1 47 ALA H 1 48 SER HB2 4.720 . 5.300 5.397 5.313 5.453 0.153 20 0 "[ . 1 . 2]" 1
1004 1 47 ALA H 1 47 ALA MB 2.800 . 3.780 2.847 2.049 3.240 . 0 0 "[ . 1 . 2]" 1
1005 1 44 ILE HB 1 47 ALA H 4.370 . 5.300 5.118 4.231 5.346 0.046 7 0 "[ . 1 . 2]" 1
1006 1 45 PRO HG2 1 47 ALA H 4.810 . 5.300 5.105 4.206 5.403 0.103 4 0 "[ . 1 . 2]" 1
1007 1 21 THR H 1 21 THR HB 3.450 . 4.940 2.568 2.325 3.192 . 0 0 "[ . 1 . 2]" 1
1008 1 70 THR H 1 70 THR HB 3.720 . 5.300 2.720 2.633 2.805 . 0 0 "[ . 1 . 2]" 1
1009 1 34 THR MG 1 70 THR H 3.760 . 5.300 2.935 2.804 3.028 . 0 0 "[ . 1 . 2]" 1
1010 1 68 THR H 1 68 THR HB 3.410 . 4.860 2.832 2.556 3.693 . 0 0 "[ . 1 . 2]" 1
1011 1 62 ALA H 1 62 ALA MB 2.890 . 3.930 2.242 2.114 2.343 . 0 0 "[ . 1 . 2]" 1
1012 1 16 GLU HB3 1 62 ALA H 4.370 . 5.300 5.584 5.526 5.627 0.327 11 0 "[ . 1 . 2]" 1
1013 1 86 VAL H 1 86 VAL HB 3.150 . 4.390 3.752 3.560 3.867 . 0 0 "[ . 1 . 2]" 1
1014 1 86 VAL H 1 86 VAL MG2 3.320 . 4.700 2.272 2.139 2.464 . 0 0 "[ . 1 . 2]" 1
1015 1 85 THR H 1 85 THR HB 3.580 . 5.190 2.757 2.492 3.019 . 0 0 "[ . 1 . 2]" 1
1016 1 13 SER HB3 1 85 THR H 4.550 . 5.300 4.346 3.446 5.428 0.128 20 0 "[ . 1 . 2]" 1
1017 1 75 VAL H 1 75 VAL MG2 2.890 . 3.930 1.948 1.916 1.989 . 0 0 "[ . 1 . 2]" 1
1018 1 75 VAL H 1 75 VAL HB 2.970 . 4.070 3.717 3.699 3.735 . 0 0 "[ . 1 . 2]" 1
1019 1 90 VAL H 1 90 VAL QG 3.190 . 4.460 1.940 1.822 2.582 0.098 15 0 "[ . 1 . 2]" 1
1020 1 90 VAL H 1 90 VAL HB 3.370 . 4.790 2.521 1.984 2.762 . 0 0 "[ . 1 . 2]" 1
1021 1 18 ALA H 1 18 ALA MB 2.840 . 3.850 2.321 2.131 2.426 . 0 0 "[ . 1 . 2]" 1
1022 1 43 PRO HA 1 44 ILE H 3.320 . 4.700 2.332 2.128 2.499 . 0 0 "[ . 1 . 2]" 1
1023 1 44 ILE H 1 44 ILE HB 3.850 . 5.300 3.705 3.528 3.886 . 0 0 "[ . 1 . 2]" 1
1024 1 44 ILE H 1 44 ILE MG 3.630 . 5.280 2.442 2.108 2.708 . 0 0 "[ . 1 . 2]" 1
1025 1 35 TYR HA 1 36 ALA H 2.890 . 3.930 2.105 2.026 2.202 . 0 0 "[ . 1 . 2]" 1
1026 1 36 ALA H 1 36 ALA MB 3.150 . 4.390 2.549 2.422 2.626 . 0 0 "[ . 1 . 2]" 1
1027 1 80 THR MG 1 81 THR H 2.800 . 3.780 1.862 1.765 2.091 0.055 13 0 "[ . 1 . 2]" 1
1028 1 15 GLU H 1 15 GLU HA 2.620 . 3.480 2.926 2.894 2.953 . 0 0 "[ . 1 . 2]" 1
1029 1 20 LEU H 1 20 LEU HB2 3.580 . 5.190 2.427 1.997 3.700 . 0 0 "[ . 1 . 2]" 1
1030 1 20 LEU H 1 20 LEU HA 2.710 . 3.630 2.949 2.916 2.972 . 0 0 "[ . 1 . 2]" 1
1031 1 68 THR HA 1 78 ASP H 4.110 . 5.300 5.001 4.836 5.207 . 0 0 "[ . 1 . 2]" 1
1032 1 77 LYS HE2 1 78 ASP H 4.550 . 5.300 5.412 5.106 5.839 0.539 3 1 "[ + . 1 . 2]" 1
1033 1 78 ASP H 1 78 ASP HB2 3.370 . 4.790 3.577 2.871 3.970 . 0 0 "[ . 1 . 2]" 1
1034 1 3 THR HB 1 7 ASP H 4.630 . 5.300 3.815 3.558 4.075 . 0 0 "[ . 1 . 2]" 1
1035 1 7 ASP H 1 7 ASP QB 3.580 . 4.540 2.571 2.094 3.038 . 0 0 "[ . 1 . 2]" 1
1036 1 36 ALA HA 1 37 TRP H 2.890 . 3.930 2.319 2.223 2.495 . 0 0 "[ . 1 . 2]" 1
1037 1 37 TRP H 1 37 TRP QB 3.450 . 4.940 2.392 2.190 2.643 . 0 0 "[ . 1 . 2]" 1
1038 1 37 TRP H 1 44 ILE QG 4.550 . 5.300 4.106 3.858 4.306 . 0 0 "[ . 1 . 2]" 1
1039 1 37 TRP H 1 44 ILE MD 4.200 . 5.300 4.020 3.704 4.886 . 0 0 "[ . 1 . 2]" 1
1040 1 37 TRP H 1 67 VAL MG2 4.900 . 5.300 3.878 3.599 4.251 . 0 0 "[ . 1 . 2]" 1
1041 1 57 ALA H 1 61 ASP HB3 4.460 . 5.300 5.280 5.104 5.357 0.057 16 0 "[ . 1 . 2]" 1
1042 1 57 ALA H 1 57 ALA MB 2.970 . 4.070 2.122 1.978 2.288 . 0 0 "[ . 1 . 2]" 1
1043 1 87 ASN H 1 87 ASN HB3 3.580 . 5.190 3.537 3.151 3.719 . 0 0 "[ . 1 . 2]" 1
1044 1 86 VAL HA 1 87 ASN H 2.800 . 3.780 2.094 2.009 2.170 . 0 0 "[ . 1 . 2]" 1
1045 1 70 THR HA 1 71 ASP H 3.190 . 4.460 2.252 2.199 2.292 . 0 0 "[ . 1 . 2]" 1
1046 1 71 ASP H 1 71 ASP HB3 3.930 . 5.300 3.417 3.356 3.512 . 0 0 "[ . 1 . 2]" 1
1047 1 58 ALA H 1 58 ALA MB 3.190 . 4.460 2.271 2.227 2.316 . 0 0 "[ . 1 . 2]" 1
1048 1 22 LEU H 1 22 LEU HB3 3.320 . 4.700 3.679 3.541 3.821 . 0 0 "[ . 1 . 2]" 1
1049 1 21 THR HA 1 22 LEU H 3.370 . 4.790 2.248 2.082 2.406 . 0 0 "[ . 1 . 2]" 1
1050 1 26 ALA H 1 26 ALA MB 3.190 . 4.460 2.644 2.487 2.714 . 0 0 "[ . 1 . 2]" 1
1051 1 22 LEU H 1 37 TRP HH2 4.280 . 5.300 4.997 4.782 5.222 . 0 0 "[ . 1 . 2]" 1
1052 1 22 LEU H 1 52 TYR QD 4.630 . 5.300 4.540 3.566 4.959 . 0 0 "[ . 1 . 2]" 1
1053 1 25 THR HB 1 26 ALA H 4.280 . 5.300 4.247 3.578 4.401 . 0 0 "[ . 1 . 2]" 1
1054 1 64 SER HA 1 65 TYR H 3.100 . 4.300 2.190 2.087 2.288 . 0 0 "[ . 1 . 2]" 1
1055 1 64 SER HB3 1 65 TYR H 4.370 . 5.300 3.228 3.028 4.039 . 0 0 "[ . 1 . 2]" 1
1056 1 65 TYR H 1 65 TYR HB2 3.890 . 5.300 2.056 1.960 2.180 0.040 12 0 "[ . 1 . 2]" 1
1057 1 64 SER HA 1 82 CYS H 4.370 . 5.300 4.276 4.080 4.428 . 0 0 "[ . 1 . 2]" 1
1058 1 65 TYR QD 1 82 CYS H 5.070 . 5.300 4.546 4.332 4.832 . 0 0 "[ . 1 . 2]" 1
1059 1 82 CYS H 1 82 CYS QB 3.980 . 5.300 2.265 2.072 2.929 . 0 0 "[ . 1 . 2]" 1
1060 1 37 TRP HH2 1 52 TYR H 4.370 . 5.300 4.776 4.183 5.361 0.061 20 0 "[ . 1 . 2]" 1
1061 1 52 TYR H 1 52 TYR QD 4.070 . 5.300 2.778 2.167 3.350 . 0 0 "[ . 1 . 2]" 1
1062 1 51 THR MG 1 52 TYR H 3.230 . 4.540 4.321 4.132 4.434 . 0 0 "[ . 1 . 2]" 1
1063 1 52 TYR H 1 52 TYR HB3 3.890 . 5.300 3.533 3.353 3.901 . 0 0 "[ . 1 . 2]" 1
1064 1 52 TYR H 1 52 TYR HB2 3.980 . 5.300 3.890 3.515 3.982 . 0 0 "[ . 1 . 2]" 1
1065 1 83 ALA HA 1 84 VAL H 3.150 . 4.390 2.184 2.102 2.250 . 0 0 "[ . 1 . 2]" 1
1066 1 84 VAL H 1 84 VAL HB 3.670 . 5.300 3.516 2.290 3.850 . 0 0 "[ . 1 . 2]" 1
1067 1 84 VAL H 1 84 VAL QG 3.320 . 4.700 2.286 2.081 2.965 . 0 0 "[ . 1 . 2]" 1
1068 1 69 VAL H 1 76 SER HA 4.720 . 5.300 4.148 3.925 4.401 . 0 0 "[ . 1 . 2]" 1
1069 1 69 VAL H 1 78 ASP HB2 4.810 . 5.300 5.212 4.493 5.909 0.609 6 1 "[ .+ 1 . 2]" 1
1070 1 69 VAL H 1 69 VAL HB 3.500 . 5.030 3.294 3.176 3.467 . 0 0 "[ . 1 . 2]" 1
1071 1 69 VAL H 1 69 VAL MG2 3.450 . 4.940 2.107 1.933 2.240 0.027 11 0 "[ . 1 . 2]" 1
1072 1 69 VAL H 1 77 LYS HB3 4.200 . 5.300 4.894 3.783 5.398 0.098 18 0 "[ . 1 . 2]" 1
1073 1 69 VAL H 1 69 VAL MG1 3.850 . 5.300 3.619 3.505 3.738 . 0 0 "[ . 1 . 2]" 1
1074 1 83 ALA H 1 83 ALA MB 2.930 . 4.000 2.316 2.208 2.365 . 0 0 "[ . 1 . 2]" 1
1075 1 69 VAL H 1 70 THR H 4.550 . 5.300 4.321 4.211 4.425 . 0 0 "[ . 1 . 2]" 1
1076 1 69 VAL H 1 70 THR H 3.500 . 5.030 3.936 3.849 4.007 . 0 0 "[ . 1 . 2]" 1
1077 1 74 GLN HB3 1 74 GLN HE22 3.670 . 5.300 4.905 4.148 5.312 0.012 13 0 "[ . 1 . 2]" 1
1078 1 84 VAL QG 1 85 THR H 3.720 . 5.300 3.365 2.729 3.579 . 0 0 "[ . 1 . 2]" 1
1079 1 22 LEU H 1 23 SER H 4.020 . 5.300 4.172 4.046 4.263 . 0 0 "[ . 1 . 2]" 1
1080 1 21 THR HB 1 22 LEU H 4.020 . 5.300 4.556 4.224 4.715 . 0 0 "[ . 1 . 2]" 1
1081 1 78 ASP H 1 79 SER H 4.020 . 5.300 4.367 4.269 4.451 . 0 0 "[ . 1 . 2]" 1
1082 1 79 SER H 1 80 THR H 4.550 . 5.300 4.381 4.252 4.530 . 0 0 "[ . 1 . 2]" 1
1083 1 7 ASP QB 1 80 THR H 4.980 . 5.300 4.424 3.330 5.174 . 0 0 "[ . 1 . 2]" 1
1084 1 67 VAL MG1 1 80 THR H 4.550 . 5.300 4.756 4.294 5.338 0.038 12 0 "[ . 1 . 2]" 1
1085 1 80 THR H 1 80 THR MG 3.850 . 5.300 3.475 3.399 3.570 . 0 0 "[ . 1 . 2]" 1
1086 1 94 LEU H 1 94 LEU HG 3.670 . 5.300 2.699 1.970 3.903 0.010 6 0 "[ . 1 . 2]" 1
1087 1 41 GLY H 1 42 SER H 3.800 . 5.300 2.680 2.457 2.842 . 0 0 "[ . 1 . 2]" 1
1088 1 33 TYR H 1 34 THR H 4.200 . 5.300 4.641 4.582 4.691 . 0 0 "[ . 1 . 2]" 1
1089 1 25 THR H 1 26 ALA H 4.590 . 5.300 4.567 4.523 4.626 . 0 0 "[ . 1 . 2]" 1
1090 1 45 PRO HB3 1 46 ASP H 3.670 . 5.300 4.133 3.561 4.501 . 0 0 "[ . 1 . 2]" 1
1091 1 19 ALA H 1 20 LEU H 3.890 . 5.300 4.251 4.032 4.566 . 0 0 "[ . 1 . 2]" 1
1092 1 19 ALA HA 1 20 LEU H 2.890 . 3.930 2.134 2.037 2.202 . 0 0 "[ . 1 . 2]" 1
1093 1 16 GLU H 1 17 GLY H 3.890 . 5.300 4.416 4.293 4.527 . 0 0 "[ . 1 . 2]" 1
1094 1 14 VAL MG2 1 15 GLU H 3.060 . 4.230 1.890 1.839 1.992 0.051 8 0 "[ . 1 . 2]" 1
1095 1 14 VAL HA 1 15 GLU H 2.750 . 3.700 2.521 2.454 2.580 . 0 0 "[ . 1 . 2]" 1
1096 1 8 LEU HB2 1 9 THR H 3.320 . 4.700 3.339 2.721 3.897 . 0 0 "[ . 1 . 2]" 1
1097 1 7 ASP H 1 8 LEU H 4.900 . 5.300 4.578 4.356 4.784 . 0 0 "[ . 1 . 2]" 1
1098 1 4 LEU HA 1 6 LYS H 4.810 . 5.300 4.318 4.216 4.387 . 0 0 "[ . 1 . 2]" 1
1099 1 5 SER QB 1 6 LYS H 4.630 . 5.300 2.017 1.904 2.149 0.046 7 0 "[ . 1 . 2]" 1
1100 1 4 LEU HB2 1 6 LYS H 5.070 . 5.300 5.154 4.864 5.321 0.021 15 0 "[ . 1 . 2]" 1
1101 1 5 SER H 1 6 LYS H 3.760 . 5.300 3.994 3.899 4.081 . 0 0 "[ . 1 . 2]" 1
1102 1 3 THR HA 1 4 LEU H 3.720 . 5.300 2.536 2.346 2.699 . 0 0 "[ . 1 . 2]" 1
1103 1 3 THR HB 1 4 LEU H 4.680 . 5.300 3.966 3.590 4.630 . 0 0 "[ . 1 . 2]" 1
1104 1 27 THR HA 1 28 GLY H 4.370 . 5.300 2.710 2.657 2.766 . 0 0 "[ . 1 . 2]" 1
1105 1 27 THR MG 1 28 GLY H 5.300 . 5.300 2.852 1.888 3.744 . 0 0 "[ . 1 . 2]" 1
1106 1 27 THR H 1 29 GLY H 3.930 . 5.300 3.405 3.360 3.471 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ALA H 1 63 GLY H 3.980 . 5.300 4.711 4.599 4.772 . 0 0 "[ . 1 . 2]" 1
1108 1 58 ALA HA 1 59 ALA H 2.800 . 3.780 2.716 2.631 2.802 . 0 0 "[ . 1 . 2]" 1
1109 1 58 ALA H 1 59 ALA H 4.280 . 5.300 4.590 4.525 4.662 . 0 0 "[ . 1 . 2]" 1
1110 1 59 ALA H 1 61 ASP H 4.280 . 5.300 4.266 4.197 4.392 . 0 0 "[ . 1 . 2]" 1
1111 1 58 ALA MB 1 59 ALA H 2.450 . 3.200 2.019 1.958 2.075 . 0 0 "[ . 1 . 2]" 1
1112 1 57 ALA H 1 58 ALA H 4.630 . 5.300 4.518 4.433 4.614 . 0 0 "[ . 1 . 2]" 1
1113 1 57 ALA MB 1 58 ALA H 3.410 . 4.860 3.214 3.092 3.382 . 0 0 "[ . 1 . 2]" 1
1114 1 64 SER H 1 65 TYR H 4.550 . 5.300 4.566 4.486 4.663 . 0 0 "[ . 1 . 2]" 1
1115 1 65 TYR HA 1 66 LYS H 3.500 . 5.030 2.263 2.127 2.452 . 0 0 "[ . 1 . 2]" 1
1116 1 68 THR H 1 69 VAL H 4.420 . 5.300 4.273 4.125 4.371 . 0 0 "[ . 1 . 2]" 1
1117 1 68 THR MG 1 69 VAL H 3.410 . 4.860 3.070 2.820 3.698 . 0 0 "[ . 1 . 2]" 1
1118 1 70 THR H 1 71 ASP H 4.020 . 5.300 4.628 4.587 4.708 . 0 0 "[ . 1 . 2]" 1
1119 1 70 THR HB 1 71 ASP H 3.930 . 5.300 4.050 4.016 4.126 . 0 0 "[ . 1 . 2]" 1
1120 1 71 ASP H 1 71 ASP HB2 4.020 . 5.300 4.154 4.118 4.234 . 0 0 "[ . 1 . 2]" 1
1121 1 74 GLN HA 1 75 VAL H 3.540 . 5.110 2.403 2.338 2.480 . 0 0 "[ . 1 . 2]" 1
1122 1 76 SER H 1 77 LYS H 4.630 . 5.300 4.435 4.313 4.517 . 0 0 "[ . 1 . 2]" 1
1123 1 76 SER HA 1 77 LYS H 3.670 . 5.300 2.217 2.145 2.267 . 0 0 "[ . 1 . 2]" 1
1124 1 80 THR HA 1 81 THR H 2.890 . 3.930 2.219 2.126 2.326 . 0 0 "[ . 1 . 2]" 1
1125 1 83 ALA H 1 84 VAL H 4.020 . 5.300 4.434 4.352 4.535 . 0 0 "[ . 1 . 2]" 1
1126 1 85 THR HB 1 86 VAL H 3.670 . 5.300 4.246 3.936 4.496 . 0 0 "[ . 1 . 2]" 1
1127 1 85 THR H 1 85 THR MG 3.670 . 5.300 3.885 2.818 4.010 . 0 0 "[ . 1 . 2]" 1
1128 1 85 THR MG 1 86 VAL H 3.320 . 4.700 2.889 2.590 3.593 . 0 0 "[ . 1 . 2]" 1
1129 1 87 ASN H 1 87 ASN HB2 4.110 . 5.300 3.062 2.571 3.775 . 0 0 "[ . 1 . 2]" 1
1130 1 92 GLY HA3 1 93 GLY H 4.200 . 5.300 2.228 2.123 2.370 . 0 0 "[ . 1 . 2]" 1
1131 1 93 GLY H 1 93 GLY QA 4.200 . 5.300 2.306 2.198 2.499 . 0 0 "[ . 1 . 2]" 1
1132 1 51 THR H 1 52 TYR H 3.910 . 5.300 4.100 3.621 4.354 . 0 0 "[ . 1 . 2]" 1
1133 1 51 THR HB 1 52 TYR H 4.550 . 5.300 4.299 4.135 4.428 . 0 0 "[ . 1 . 2]" 1
1134 1 52 TYR H 1 53 THR H 4.330 . 5.300 4.425 4.363 4.495 . 0 0 "[ . 1 . 2]" 1
1135 1 53 THR HA 1 54 LYS H 3.540 . 5.110 2.128 2.038 2.222 . 0 0 "[ . 1 . 2]" 1
1136 1 53 THR MG 1 54 LYS H 4.070 . 5.300 2.442 2.306 2.723 . 0 0 "[ . 1 . 2]" 1
1137 1 20 LEU HG 1 54 LYS H 4.980 . 5.300 5.109 3.071 5.412 0.112 15 0 "[ . 1 . 2]" 1
1138 1 20 LEU HB2 1 54 LYS H 4.720 . 5.300 2.736 2.270 4.957 . 0 0 "[ . 1 . 2]" 1
1139 1 34 THR MG 1 35 TYR H 3.230 . 4.540 3.922 3.711 4.109 . 0 0 "[ . 1 . 2]" 1
1140 1 34 THR H 1 34 THR HB 4.050 . 5.300 3.115 3.031 3.211 . 0 0 "[ . 1 . 2]" 1
1141 1 34 THR HB 1 35 TYR H 3.320 . 4.700 4.120 4.062 4.236 . 0 0 "[ . 1 . 2]" 1
1142 1 34 THR HA 1 35 TYR H 3.060 . 4.230 2.400 2.245 2.638 . 0 0 "[ . 1 . 2]" 1
1143 1 34 THR H 1 35 TYR H 4.370 . 5.300 4.538 4.464 4.638 . 0 0 "[ . 1 . 2]" 1
1144 1 87 ASN HB2 1 87 ASN HD22 3.930 . 5.300 3.548 3.445 3.616 . 0 0 "[ . 1 . 2]" 1
1145 1 8 LEU H 1 8 LEU HB3 3.410 . 4.860 3.078 2.536 3.411 . 0 0 "[ . 1 . 2]" 1
1146 1 9 THR H 1 9 THR HB 3.320 . 4.700 3.204 3.072 3.480 . 0 0 "[ . 1 . 2]" 1
1147 1 11 SER H 1 11 SER HB2 3.560 . 5.140 3.713 3.022 4.172 . 0 0 "[ . 1 . 2]" 1
1148 1 12 MET H 1 12 MET HG3 4.550 . 5.300 4.705 4.381 5.184 . 0 0 "[ . 1 . 2]" 1
1149 1 12 MET H 1 12 MET HG2 4.810 . 5.300 4.583 3.089 5.050 . 0 0 "[ . 1 . 2]" 1
1150 1 12 MET HG3 1 13 SER H 4.150 . 5.300 3.901 3.006 5.341 0.041 19 0 "[ . 1 . 2]" 1
1151 1 12 MET HG2 1 13 SER H 3.930 . 5.300 4.083 2.872 5.304 0.004 19 0 "[ . 1 . 2]" 1
1152 1 14 VAL H 1 14 VAL MG1 3.260 . 4.590 2.274 2.209 2.370 . 0 0 "[ . 1 . 2]" 1
1153 1 15 GLU H 1 15 GLU HG3 3.100 . 4.300 2.656 1.944 3.709 . 0 0 "[ . 1 . 2]" 1
1154 1 15 GLU H 1 15 GLU HB3 3.190 . 4.460 3.373 2.906 3.712 . 0 0 "[ . 1 . 2]" 1
1155 1 15 GLU H 1 15 GLU HB2 2.970 . 4.070 2.930 2.334 3.736 . 0 0 "[ . 1 . 2]" 1
1156 1 33 TYR H 1 33 TYR HB2 3.800 . 5.300 2.311 2.243 2.469 . 0 0 "[ . 1 . 2]" 1
1157 1 33 TYR H 1 33 TYR HB3 3.150 . 4.390 3.268 2.961 3.390 . 0 0 "[ . 1 . 2]" 1
1158 1 33 TYR HB2 1 34 THR H 3.800 . 5.300 4.105 3.739 4.214 . 0 0 "[ . 1 . 2]" 1
1159 1 33 TYR HB3 1 34 THR H 3.850 . 5.300 2.966 2.565 3.084 . 0 0 "[ . 1 . 2]" 1
1160 1 35 TYR H 1 35 TYR QB 3.320 . 4.700 3.070 2.893 3.296 . 0 0 "[ . 1 . 2]" 1
1161 1 35 TYR QB 1 36 ALA H 3.850 . 5.300 2.483 2.301 2.911 . 0 0 "[ . 1 . 2]" 1
1162 1 38 THR HA 1 39 LYS H 3.850 . 5.300 2.549 2.439 2.634 . 0 0 "[ . 1 . 2]" 1
1163 1 38 THR HB 1 39 LYS H 4.200 . 5.300 2.566 2.135 3.123 . 0 0 "[ . 1 . 2]" 1
1164 1 38 THR MG 1 39 LYS H 4.460 . 5.300 2.351 1.956 2.584 0.014 8 0 "[ . 1 . 2]" 1
1165 1 40 ASP H 1 64 SER HB3 4.110 . 5.300 5.243 3.924 5.454 0.154 9 0 "[ . 1 . 2]" 1
1166 1 40 ASP H 1 40 ASP HB3 4.200 . 5.300 3.066 2.933 3.237 . 0 0 "[ . 1 . 2]" 1
1167 1 40 ASP HB3 1 41 GLY H 4.550 . 5.300 4.440 4.358 4.473 . 0 0 "[ . 1 . 2]" 1
1168 1 40 ASP HB2 1 41 GLY H 4.370 . 5.300 4.092 4.030 4.150 . 0 0 "[ . 1 . 2]" 1
1169 1 42 SER H 1 42 SER HB2 3.450 . 4.940 2.736 2.375 3.775 . 0 0 "[ . 1 . 2]" 1
1170 1 42 SER H 1 42 SER HB3 3.280 . 4.620 3.508 2.709 3.750 . 0 0 "[ . 1 . 2]" 1
1171 1 4 LEU H 1 4 LEU HB3 4.500 . 5.300 2.360 2.068 2.923 . 0 0 "[ . 1 . 2]" 1
1172 1 5 SER H 1 5 SER QB 4.020 . 5.300 3.067 2.933 3.529 . 0 0 "[ . 1 . 2]" 1
1173 1 43 PRO HG3 1 61 ASP H 3.670 . 5.300 5.511 5.448 5.575 0.275 16 0 "[ . 1 . 2]" 1
1174 1 64 SER H 1 64 SER HB2 3.370 . 4.790 3.177 3.033 3.413 . 0 0 "[ . 1 . 2]" 1
1175 1 64 SER HB2 1 65 TYR H 4.590 . 5.300 4.196 4.069 4.317 . 0 0 "[ . 1 . 2]" 1
1176 1 72 SER H 1 72 SER HB2 3.720 . 5.300 3.408 3.321 3.478 . 0 0 "[ . 1 . 2]" 1
1177 1 72 SER H 1 72 SER HB3 3.670 . 5.300 2.274 2.048 2.450 . 0 0 "[ . 1 . 2]" 1
1178 1 74 GLN H 1 74 GLN HB2 3.230 . 4.540 3.408 3.107 3.771 . 0 0 "[ . 1 . 2]" 1
1179 1 76 SER H 1 76 SER HB2 3.670 . 5.300 3.018 2.741 3.322 . 0 0 "[ . 1 . 2]" 1
1180 1 76 SER H 1 76 SER HB3 3.580 . 5.190 3.396 2.918 3.555 . 0 0 "[ . 1 . 2]" 1
1181 1 76 SER HB3 1 77 LYS H 4.420 . 5.300 3.657 3.216 4.133 . 0 0 "[ . 1 . 2]" 1
1182 1 76 SER HB2 1 77 LYS H 4.330 . 5.300 3.890 3.573 4.315 . 0 0 "[ . 1 . 2]" 1
1183 1 77 LYS HB2 1 78 ASP H 3.500 . 5.030 3.037 2.585 4.247 . 0 0 "[ . 1 . 2]" 1
1184 1 77 LYS HB3 1 78 ASP H 3.410 . 4.860 4.185 3.990 4.454 . 0 0 "[ . 1 . 2]" 1
1185 1 94 LEU H 1 94 LEU HB3 3.670 . 5.300 3.583 2.900 4.088 . 0 0 "[ . 1 . 2]" 1
1186 1 94 LEU HB3 1 95 GLU H 4.370 . 5.300 4.306 2.924 4.705 . 0 0 "[ . 1 . 2]" 1
1187 1 95 GLU H 1 95 GLU HB2 3.930 . 5.300 3.091 2.445 3.742 . 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 60
_Distance_constraint_stats_list.Viol_count 686
_Distance_constraint_stats_list.Viol_total 920.672
_Distance_constraint_stats_list.Viol_max 0.316
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0384
_Distance_constraint_stats_list.Viol_average_violations_only 0.0671
_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 10 ALA 0.496 0.056 19 0 "[ . 1 . 2]"
1 12 MET 4.027 0.225 12 0 "[ . 1 . 2]"
1 14 VAL 0.424 0.028 14 0 "[ . 1 . 2]"
1 16 GLU 0.971 0.089 13 0 "[ . 1 . 2]"
1 20 LEU 0.142 0.042 19 0 "[ . 1 . 2]"
1 22 LEU 1.524 0.077 16 0 "[ . 1 . 2]"
1 24 VAL 0.237 0.051 18 0 "[ . 1 . 2]"
1 34 THR 0.484 0.057 11 0 "[ . 1 . 2]"
1 36 ALA 1.891 0.077 12 0 "[ . 1 . 2]"
1 38 THR 4.019 0.136 14 0 "[ . 1 . 2]"
1 40 ASP 15.317 0.316 14 0 "[ . 1 . 2]"
1 50 ALA 0.237 0.051 18 0 "[ . 1 . 2]"
1 52 TYR 1.524 0.077 16 0 "[ . 1 . 2]"
1 54 LYS 0.142 0.042 19 0 "[ . 1 . 2]"
1 58 ALA 1.971 0.138 6 0 "[ . 1 . 2]"
1 59 ALA 2.528 0.153 18 0 "[ . 1 . 2]"
1 61 ASP 1.971 0.138 6 0 "[ . 1 . 2]"
1 62 ALA 2.528 0.153 18 0 "[ . 1 . 2]"
1 63 GLY 2.801 0.121 5 0 "[ . 1 . 2]"
1 64 SER 15.317 0.316 14 0 "[ . 1 . 2]"
1 65 TYR 0.193 0.032 15 0 "[ . 1 . 2]"
1 66 LYS 4.019 0.136 14 0 "[ . 1 . 2]"
1 67 VAL 5.007 0.177 16 0 "[ . 1 . 2]"
1 68 THR 1.891 0.077 12 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.484 0.057 11 0 "[ . 1 . 2]"
1 71 ASP 4.004 0.116 19 0 "[ . 1 . 2]"
1 75 VAL 4.004 0.116 19 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 5.007 0.177 16 0 "[ . 1 . 2]"
1 82 CYS 0.193 0.032 15 0 "[ . 1 . 2]"
1 83 ALA 2.863 0.225 12 0 "[ . 1 . 2]"
1 84 VAL 2.801 0.121 5 0 "[ . 1 . 2]"
1 85 THR 2.083 0.090 7 0 "[ . 1 . 2]"
1 87 ASN 0.971 0.089 13 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 40 ASP O 1 64 SER N 2.800 2.500 2.900 3.144 3.114 3.209 0.309 14 0 "[ . 1 . 2]" 2
2 1 40 ASP O 1 64 SER H 1.800 . 1.900 2.187 2.147 2.216 0.316 14 0 "[ . 1 . 2]" 2
3 1 40 ASP N 1 64 SER O 2.800 2.500 2.900 2.619 2.551 2.752 . 0 0 "[ . 1 . 2]" 2
4 1 40 ASP H 1 64 SER O 1.800 . 1.900 2.135 2.106 2.169 0.269 4 0 "[ . 1 . 2]" 2
5 1 38 THR N 1 66 LYS O 2.800 2.500 2.900 2.992 2.961 3.036 0.136 14 0 "[ . 1 . 2]" 2
6 1 38 THR H 1 66 LYS O 1.800 . 1.900 1.979 1.953 2.013 0.113 14 0 "[ . 1 . 2]" 2
7 1 38 THR O 1 66 LYS N 2.800 2.500 2.900 2.856 2.761 2.959 0.059 17 0 "[ . 1 . 2]" 2
8 1 38 THR O 1 66 LYS H 1.800 . 1.900 1.861 1.751 2.022 0.122 17 0 "[ . 1 . 2]" 2
9 1 36 ALA N 1 68 THR O 2.800 2.500 2.900 2.905 2.875 2.945 0.045 20 0 "[ . 1 . 2]" 2
10 1 36 ALA H 1 68 THR O 1.800 . 1.900 1.931 1.907 1.966 0.066 12 0 "[ . 1 . 2]" 2
11 1 36 ALA O 1 68 THR N 2.800 2.500 2.900 2.924 2.847 2.977 0.077 12 0 "[ . 1 . 2]" 2
12 1 36 ALA O 1 68 THR H 1.800 . 1.900 1.921 1.843 1.966 0.066 14 0 "[ . 1 . 2]" 2
13 1 34 THR N 1 70 THR O 2.800 2.500 2.900 2.883 2.782 2.926 0.026 15 0 "[ . 1 . 2]" 2
14 1 34 THR H 1 70 THR O 1.800 . 1.900 1.908 1.808 1.957 0.057 11 0 "[ . 1 . 2]" 2
15 1 34 THR O 1 70 THR N 2.800 2.500 2.900 2.751 2.681 2.807 . 0 0 "[ . 1 . 2]" 2
16 1 34 THR O 1 70 THR H 1.800 . 1.900 1.771 1.685 1.883 . 0 0 "[ . 1 . 2]" 2
17 1 71 ASP N 1 75 VAL O 2.800 2.500 2.900 2.892 2.834 2.911 0.011 4 0 "[ . 1 . 2]" 2
18 1 71 ASP H 1 75 VAL O 1.800 . 1.900 1.939 1.881 1.962 0.062 4 0 "[ . 1 . 2]" 2
19 1 71 ASP O 1 75 VAL N 2.800 2.500 2.900 2.953 2.934 2.960 0.060 16 0 "[ . 1 . 2]" 2
20 1 71 ASP O 1 75 VAL H 1.800 . 1.900 2.005 1.976 2.016 0.116 19 0 "[ . 1 . 2]" 2
21 1 69 VAL N 1 77 LYS O 2.800 2.500 2.900 2.715 2.597 2.802 . 0 0 "[ . 1 . 2]" 2
22 1 69 VAL H 1 77 LYS O 1.800 . 1.900 1.711 1.568 1.811 . 0 0 "[ . 1 . 2]" 2
23 1 69 VAL O 1 77 LYS N 2.800 2.500 2.900 2.635 2.603 2.666 . 0 0 "[ . 1 . 2]" 2
24 1 69 VAL O 1 77 LYS H 1.800 . 1.900 1.629 1.592 1.675 . 0 0 "[ . 1 . 2]" 2
25 1 67 VAL N 1 79 SER O 2.800 2.500 2.900 3.020 2.983 3.077 0.177 16 0 "[ . 1 . 2]" 2
26 1 67 VAL H 1 79 SER O 1.800 . 1.900 2.014 1.966 2.066 0.166 16 0 "[ . 1 . 2]" 2
27 1 67 VAL O 1 79 SER N 2.800 2.500 2.900 2.799 2.645 2.917 0.017 5 0 "[ . 1 . 2]" 2
28 1 67 VAL O 1 79 SER H 1.800 . 1.900 1.829 1.635 1.959 0.059 19 0 "[ . 1 . 2]" 2
29 1 24 VAL N 1 50 ALA O 2.800 2.500 2.900 2.800 2.735 2.853 . 0 0 "[ . 1 . 2]" 2
30 1 24 VAL H 1 50 ALA O 1.800 . 1.900 1.898 1.804 1.951 0.051 18 0 "[ . 1 . 2]" 2
31 1 22 LEU N 1 52 TYR O 2.800 2.500 2.900 2.825 2.654 2.916 0.016 8 0 "[ . 1 . 2]" 2
32 1 22 LEU H 1 52 TYR O 1.800 . 1.900 1.873 1.676 1.977 0.077 16 0 "[ . 1 . 2]" 2
33 1 22 LEU O 1 52 TYR N 2.800 2.500 2.900 2.905 2.875 2.938 0.038 15 0 "[ . 1 . 2]" 2
34 1 22 LEU O 1 52 TYR H 1.800 . 1.900 1.940 1.913 1.969 0.069 16 0 "[ . 1 . 2]" 2
35 1 20 LEU O 1 54 LYS N 2.800 2.500 2.900 2.791 2.681 2.881 . 0 0 "[ . 1 . 2]" 2
36 1 20 LEU O 1 54 LYS H 1.800 . 1.900 1.817 1.700 1.918 0.018 9 0 "[ . 1 . 2]" 2
37 1 20 LEU N 1 54 LYS O 2.800 2.500 2.900 2.835 2.756 2.942 0.042 19 0 "[ . 1 . 2]" 2
38 1 20 LEU H 1 54 LYS O 1.800 . 1.900 1.837 1.743 1.939 0.039 19 0 "[ . 1 . 2]" 2
39 1 65 TYR N 1 82 CYS O 2.800 2.500 2.900 2.703 2.631 2.772 . 0 0 "[ . 1 . 2]" 2
40 1 65 TYR H 1 82 CYS O 1.800 . 1.900 1.720 1.623 1.799 . 0 0 "[ . 1 . 2]" 2
41 1 65 TYR O 1 82 CYS N 2.800 2.500 2.900 2.874 2.827 2.904 0.004 15 0 "[ . 1 . 2]" 2
42 1 65 TYR O 1 82 CYS H 1.800 . 1.900 1.897 1.833 1.932 0.032 15 0 "[ . 1 . 2]" 2
43 1 63 GLY N 1 84 VAL O 2.800 2.500 2.900 2.918 2.858 2.977 0.077 6 0 "[ . 1 . 2]" 2
44 1 63 GLY H 1 84 VAL O 1.800 . 1.900 1.969 1.912 2.021 0.121 5 0 "[ . 1 . 2]" 2
45 1 63 GLY O 1 84 VAL N 2.800 2.500 2.900 2.912 2.855 2.949 0.049 14 0 "[ . 1 . 2]" 2
46 1 63 GLY O 1 84 VAL H 1.800 . 1.900 1.933 1.866 1.975 0.075 14 0 "[ . 1 . 2]" 2
47 1 12 MET N 1 83 ALA O 2.800 2.500 2.900 2.831 2.713 2.901 0.001 8 0 "[ . 1 . 2]" 2
48 1 12 MET H 1 83 ALA O 1.800 . 1.900 2.016 1.846 2.125 0.225 12 0 "[ . 1 . 2]" 2
49 1 14 VAL N 1 85 THR O 2.800 2.500 2.900 2.903 2.776 2.928 0.028 14 0 "[ . 1 . 2]" 2
50 1 14 VAL H 1 85 THR O 1.800 . 1.900 1.898 1.765 1.925 0.025 8 0 "[ . 1 . 2]" 2
51 1 16 GLU N 1 87 ASN O 2.800 2.500 2.900 2.877 2.746 2.941 0.041 18 0 "[ . 1 . 2]" 2
52 1 16 GLU H 1 87 ASN O 1.800 . 1.900 1.914 1.771 1.989 0.089 13 0 "[ . 1 . 2]" 2
53 1 12 MET O 1 85 THR N 2.800 2.500 2.900 2.928 2.903 2.963 0.063 1 0 "[ . 1 . 2]" 2
54 1 12 MET O 1 85 THR H 1.800 . 1.900 1.955 1.929 1.990 0.090 7 0 "[ . 1 . 2]" 2
55 1 10 ALA O 1 83 ALA N 2.800 2.500 2.900 2.881 2.790 2.922 0.022 19 0 "[ . 1 . 2]" 2
56 1 10 ALA O 1 83 ALA H 1.800 . 1.900 1.904 1.787 1.956 0.056 19 0 "[ . 1 . 2]" 2
57 1 58 ALA O 1 61 ASP N 2.800 2.500 2.900 2.846 2.805 2.905 0.005 11 0 "[ . 1 . 2]" 2
58 1 58 ALA O 1 61 ASP H 1.800 . 1.900 1.998 1.939 2.038 0.138 6 0 "[ . 1 . 2]" 2
59 1 59 ALA O 1 62 ALA N 2.800 2.500 2.900 2.933 2.913 2.967 0.067 6 0 "[ . 1 . 2]" 2
60 1 59 ALA O 1 62 ALA H 1.800 . 1.900 1.994 1.948 2.053 0.153 18 0 "[ . 1 . 2]" 2
stop_
save_
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