NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580408 |
4ch1   |
19653 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4ch1
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 1902
_Distance_constraint_stats_list.Viol_count 894
_Distance_constraint_stats_list.Viol_total 1382.469
_Distance_constraint_stats_list.Viol_max 0.964
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.1031
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 1.025 0.641 13 1 "[ . 1 + .]"
1 3 MET 0.076 0.062 12 0 "[ . 1 .]"
1 4 GLY 0.329 0.329 9 0 "[ . 1 .]"
1 5 SER 0.000 0.000 . 0 "[ . 1 .]"
1 6 ARG 5.537 0.420 3 0 "[ . 1 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 2.838 0.343 9 0 "[ . 1 .]"
1 9 MET 1.142 0.130 3 0 "[ . 1 .]"
1 10 PHE 5.647 0.283 14 0 "[ . 1 .]"
1 11 THR 0.772 0.115 2 0 "[ . 1 .]"
1 12 LYS 1.314 0.343 9 0 "[ . 1 .]"
1 13 ILE 0.044 0.037 14 0 "[ . 1 .]"
1 14 PHE 3.835 0.592 2 4 "[ + .* *- .]"
1 15 VAL 0.208 0.049 7 0 "[ . 1 .]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 18 LEU 6.771 0.451 7 0 "[ . 1 .]"
1 19 PRO 2.493 0.434 5 0 "[ . 1 .]"
1 20 TYR 2.588 0.138 10 0 "[ . 1 .]"
1 21 HIS 5.621 0.964 1 5 "[+* .* -*1 .]"
1 22 THR 1.122 0.207 4 0 "[ . 1 .]"
1 23 SER 0.000 0.000 . 0 "[ . 1 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 25 LYS 0.155 0.066 14 0 "[ . 1 .]"
1 26 THR 2.004 0.227 5 0 "[ . 1 .]"
1 27 LEU 0.009 0.009 10 0 "[ . 1 .]"
1 28 HIS 0.854 0.114 9 0 "[ . 1 .]"
1 29 GLU 2.580 0.507 14 1 "[ . 1 +.]"
1 30 TYR 0.058 0.025 6 0 "[ . 1 .]"
1 31 PHE 0.793 0.126 4 0 "[ . 1 .]"
1 32 GLU 3.885 0.850 14 3 "[ *. - +.]"
1 33 GLN 1.491 0.227 5 0 "[ . 1 .]"
1 34 PHE 3.159 0.236 2 0 "[ . 1 .]"
1 35 GLY 1.105 0.564 4 1 "[ +. 1 .]"
1 36 ASP 2.090 0.564 4 1 "[ +. 1 .]"
1 37 ILE 3.404 0.850 14 3 "[ -. * +.]"
1 38 GLU 2.460 0.151 9 0 "[ . 1 .]"
1 39 GLU 2.115 0.588 2 2 "[ + .- 1 .]"
1 40 ALA 1.000 0.114 9 0 "[ . 1 .]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 42 VAL 3.405 0.451 7 0 "[ . 1 .]"
1 43 ILE 0.804 0.094 13 0 "[ . 1 .]"
1 44 THR 1.097 0.111 2 0 "[ . 1 .]"
1 45 ASP 3.515 0.495 7 0 "[ . 1 .]"
1 46 ARG 5.243 0.499 10 0 "[ . 1 .]"
1 47 ASN 0.757 0.499 10 0 "[ . 1 .]"
1 48 THR 1.573 0.123 3 0 "[ . 1 .]"
1 49 GLN 1.065 0.095 3 0 "[ . 1 .]"
1 50 LYS 1.184 0.118 6 0 "[ . 1 .]"
1 51 SER 0.434 0.069 10 0 "[ . 1 .]"
1 52 ARG 5.798 0.692 15 2 "[ . 1- +]"
1 53 GLY 0.138 0.138 10 0 "[ . 1 .]"
1 54 TYR 4.699 0.713 11 3 "[ . 1+ * *]"
1 55 GLY 3.830 0.592 2 4 "[ + .* *- .]"
1 56 PHE 2.909 0.713 11 2 "[ . 1+ - .]"
1 57 VAL 1.289 0.140 14 0 "[ . 1 .]"
1 58 THR 2.977 0.588 2 2 "[ + .- 1 .]"
1 59 MET 1.364 0.248 11 0 "[ . 1 .]"
1 60 LYS 3.206 0.367 3 0 "[ . 1 .]"
1 61 ASP 1.634 0.367 3 0 "[ . 1 .]"
1 62 ARG 2.634 0.283 14 0 "[ . 1 .]"
1 63 ALA 5.617 0.878 6 6 "[ ***.+* 1 -.]"
1 64 SER 1.019 0.332 4 0 "[ . 1 .]"
1 65 ALA 0.414 0.073 6 0 "[ . 1 .]"
1 66 GLU 3.606 0.605 4 1 "[ +. 1 .]"
1 67 ARG 7.415 0.878 6 6 "[ ***.+* 1 -.]"
1 68 ALA 0.989 0.087 11 0 "[ . 1 .]"
1 69 CYS 0.305 0.136 11 0 "[ . 1 .]"
1 70 LYS 0.211 0.049 1 0 "[ . 1 .]"
1 71 ASP 0.166 0.084 6 0 "[ . 1 .]"
1 72 PRO 0.031 0.031 3 0 "[ . 1 .]"
1 73 ASN 0.625 0.391 7 0 "[ . 1 .]"
1 74 PRO 1.629 0.227 5 0 "[ . 1 .]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 77 ASP 6.864 0.964 1 5 "[+* .* -*1 .]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 79 ARG 1.506 0.227 5 0 "[ . 1 .]"
1 80 LYS 0.557 0.391 7 0 "[ . 1 .]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 83 VAL 0.031 0.031 3 0 "[ . 1 .]"
1 84 ASN 0.028 0.028 9 0 "[ . 1 .]"
1 85 LEU 0.609 0.085 6 0 "[ . 1 .]"
1 86 ALA 1.618 0.329 9 0 "[ . 1 .]"
1 87 TYR 0.602 0.130 3 0 "[ . 1 .]"
1 88 LEU 1.977 0.170 8 0 "[ . 1 .]"
1 89 GLY 2.639 0.170 8 0 "[ . 1 .]"
1 90 ALA 0.638 0.120 4 0 "[ . 1 .]"
1 91 LYS 0.925 0.118 6 0 "[ . 1 .]"
1 92 PRO 1.860 0.641 13 1 "[ . 1 + .]"
1 93 ARG 0.857 0.188 8 0 "[ . 1 .]"
1 94 THR 0.515 0.118 6 0 "[ . 1 .]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 96 VAL 0.076 0.062 12 0 "[ . 1 .]"
1 97 GLN 0.128 0.096 15 0 "[ . 1 .]"
2 1 DG 3.487 0.517 7 2 "[ . + 1 - .]"
2 2 DG 0.616 0.093 8 0 "[ . 1 .]"
2 3 DT 2.795 0.296 12 0 "[ . 1 .]"
2 4 DG 2.965 0.296 12 0 "[ . 1 .]"
2 5 DT 1.161 0.120 4 0 "[ . 1 .]"
2 6 DG 3.820 0.191 4 0 "[ . 1 .]"
2 7 DC 1.444 0.105 13 0 "[ . 1 .]"
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 11 THR HB 1 59 MET H 2.600 . 3.500 3.119 2.848 3.376 . 0 0 "[ . 1 .]" 1
2 1 58 THR HA 1 59 MET H 2.200 . 2.800 2.164 2.139 2.191 . 0 0 "[ . 1 .]" 1
3 1 59 MET H 1 65 ALA MB 4.200 . 6.000 3.498 3.385 3.639 . 0 0 "[ . 1 .]" 1
4 1 11 THR HA 1 66 GLU H 4.700 . 6.000 5.762 5.436 5.990 . 0 0 "[ . 1 .]" 1
5 1 6 ARG HA 1 7 ASP H 3.000 . 4.100 2.966 2.096 3.467 . 0 0 "[ . 1 .]" 1
6 1 7 ASP H 1 7 ASP QB 3.200 . 4.500 2.414 2.136 2.904 . 0 0 "[ . 1 .]" 1
7 1 7 ASP HA 1 8 THR H 2.700 . 3.600 3.407 3.263 3.473 . 0 0 "[ . 1 .]" 1
8 1 8 THR H 1 8 THR MG 3.200 . 4.500 3.039 2.645 3.616 . 0 0 "[ . 1 .]" 1
9 1 8 THR HA 1 9 MET H 2.900 . 4.000 3.277 3.222 3.333 . 0 0 "[ . 1 .]" 1
10 1 8 THR MG 1 9 MET H 4.500 . 6.000 4.394 4.287 4.473 . 0 0 "[ . 1 .]" 1
11 1 9 MET H 1 9 MET HA 2.600 . 3.500 2.737 2.711 2.762 . 0 0 "[ . 1 .]" 1
12 1 9 MET H 1 9 MET HB3 2.700 . 3.600 3.109 2.626 3.573 . 0 0 "[ . 1 .]" 1
13 1 9 MET H 1 9 MET HB2 2.300 . 2.900 2.292 2.177 2.425 . 0 0 "[ . 1 .]" 1
14 1 9 MET H 1 10 PHE H 3.300 . 4.600 3.070 2.965 3.158 . 0 0 "[ . 1 .]" 1
15 1 9 MET HA 1 10 PHE H 3.400 . 4.800 3.611 3.575 3.641 . 0 0 "[ . 1 .]" 1
16 1 9 MET HB3 1 10 PHE H 2.600 . 3.500 2.721 2.258 3.359 . 0 0 "[ . 1 .]" 1
17 1 9 MET HB2 1 10 PHE H 3.400 . 4.800 3.280 2.723 3.723 . 0 0 "[ . 1 .]" 1
18 1 10 PHE H 1 10 PHE HA 2.700 . 3.600 2.935 2.926 2.942 . 0 0 "[ . 1 .]" 1
19 1 10 PHE H 1 10 PHE QB 3.200 . 3.900 2.400 2.358 2.509 . 0 0 "[ . 1 .]" 1
20 1 10 PHE H 1 10 PHE QD 2.900 . 3.900 2.737 2.509 2.952 . 0 0 "[ . 1 .]" 1
21 1 10 PHE H 1 11 THR H 2.700 . 3.600 2.230 2.157 2.349 . 0 0 "[ . 1 .]" 1
22 1 8 THR HA 1 11 THR H 3.300 . 6.000 3.201 3.015 3.440 . 0 0 "[ . 1 .]" 1
23 1 9 MET HB3 1 11 THR H 4.000 . 6.000 4.661 4.294 5.097 . 0 0 "[ . 1 .]" 1
24 1 10 PHE HA 1 11 THR H 3.000 . 4.100 3.259 3.235 3.287 . 0 0 "[ . 1 .]" 1
25 1 11 THR H 1 11 THR MG 3.000 . 4.100 2.840 2.674 2.965 . 0 0 "[ . 1 .]" 1
26 1 11 THR H 1 12 LYS HB3 4.400 . 6.000 4.198 4.059 4.518 . 0 0 "[ . 1 .]" 1
27 1 12 LYS H 1 58 THR MG 3.700 . 5.400 4.190 4.002 4.474 . 0 0 "[ . 1 .]" 1
28 1 12 LYS H 1 58 THR HA 4.200 . 6.000 4.724 4.556 4.894 . 0 0 "[ . 1 .]" 1
29 1 11 THR H 1 12 LYS H 2.400 . 3.100 2.107 2.029 2.175 . 0 0 "[ . 1 .]" 1
30 1 11 THR HA 1 12 LYS H 3.200 . 4.500 3.459 3.406 3.527 . 0 0 "[ . 1 .]" 1
31 1 12 LYS H 1 12 LYS HA 2.900 . 3.900 2.894 2.881 2.906 . 0 0 "[ . 1 .]" 1
32 1 12 LYS H 1 12 LYS HB3 2.600 . 3.400 2.362 2.284 2.550 . 0 0 "[ . 1 .]" 1
33 1 12 LYS H 1 12 LYS HB2 2.700 . 3.600 2.687 2.444 2.802 . 0 0 "[ . 1 .]" 1
34 1 12 LYS H 1 13 ILE H 4.200 . 6.000 4.321 4.289 4.356 . 0 0 "[ . 1 .]" 1
35 1 12 LYS H 1 59 MET H 3.600 . 5.200 4.925 4.816 5.083 . 0 0 "[ . 1 .]" 1
36 1 13 ILE H 1 13 ILE HB 2.800 . 3.800 2.489 2.393 2.544 . 0 0 "[ . 1 .]" 1
37 1 12 LYS HA 1 13 ILE H 2.500 . 3.300 2.117 2.089 2.152 . 0 0 "[ . 1 .]" 1
38 1 12 LYS HG2 1 13 ILE H 3.900 . 5.800 3.653 3.436 3.867 . 0 0 "[ . 1 .]" 1
39 1 13 ILE H 1 85 LEU MD2 4.900 . 6.000 4.476 4.292 4.704 . 0 0 "[ . 1 .]" 1
40 1 14 PHE H 1 85 LEU HA 3.700 . 5.400 3.263 3.136 3.443 . 0 0 "[ . 1 .]" 1
41 1 14 PHE H 1 85 LEU MD2 5.000 . 6.000 4.488 4.310 4.669 . 0 0 "[ . 1 .]" 1
42 1 13 ILE HA 1 14 PHE H 2.200 . 2.800 2.173 2.149 2.188 . 0 0 "[ . 1 .]" 1
43 1 14 PHE H 1 14 PHE HB3 2.700 . 3.600 2.470 2.410 2.516 . 0 0 "[ . 1 .]" 1
44 1 14 PHE H 1 14 PHE HB2 2.800 . 3.800 2.964 2.878 3.065 . 0 0 "[ . 1 .]" 1
45 1 14 PHE H 1 14 PHE QD 4.500 . 6.000 4.203 4.119 4.231 . 0 0 "[ . 1 .]" 1
46 1 14 PHE H 1 86 ALA H 3.100 . 4.300 3.028 2.875 3.190 . 0 0 "[ . 1 .]" 1
47 1 14 PHE H 1 86 ALA MB 3.000 . 4.100 2.870 2.771 3.024 . 0 0 "[ . 1 .]" 1
48 1 14 PHE HB3 1 15 VAL H 4.700 . 6.000 4.277 4.217 4.341 . 0 0 "[ . 1 .]" 1
49 1 14 PHE HA 1 15 VAL H 2.200 . 2.800 2.164 2.135 2.189 . 0 0 "[ . 1 .]" 1
50 1 14 PHE QD 1 15 VAL H 3.400 . 4.900 3.346 3.172 3.621 . 0 0 "[ . 1 .]" 1
51 1 15 VAL H 1 15 VAL HA 3.000 . 4.100 2.941 2.935 2.946 . 0 0 "[ . 1 .]" 1
52 1 15 VAL H 1 15 VAL HB 2.700 . 3.600 2.750 2.714 2.798 . 0 0 "[ . 1 .]" 1
53 1 15 VAL H 1 56 PHE HA 3.600 . 5.200 3.143 2.899 3.495 . 0 0 "[ . 1 .]" 1
54 1 15 VAL HA 1 16 GLY H 2.400 . 3.100 2.151 2.122 2.172 . 0 0 "[ . 1 .]" 1
55 1 18 LEU H 1 18 LEU HB3 4.000 . 6.000 3.569 3.549 3.592 . 0 0 "[ . 1 .]" 1
56 1 17 GLY HA2 1 18 LEU H 3.700 . 5.400 3.084 2.948 3.187 . 0 0 "[ . 1 .]" 1
57 1 18 LEU H 1 18 LEU HB2 2.700 . 3.600 2.365 2.325 2.395 . 0 0 "[ . 1 .]" 1
58 1 18 LEU H 1 18 LEU MD1 3.900 . 5.800 3.662 3.594 3.774 . 0 0 "[ . 1 .]" 1
59 1 18 LEU H 1 18 LEU MD2 3.800 . 5.600 3.554 3.440 3.677 . 0 0 "[ . 1 .]" 1
60 1 20 TYR H 1 21 HIS HA 3.000 . 6.000 5.265 5.183 5.337 . 0 0 "[ . 1 .]" 1
61 1 20 TYR H 1 20 TYR HB3 4.100 . 6.000 3.595 3.583 3.601 . 0 0 "[ . 1 .]" 1
62 1 20 TYR H 1 20 TYR HB2 2.900 . 4.000 2.503 2.429 2.571 . 0 0 "[ . 1 .]" 1
63 1 20 TYR H 1 20 TYR QD 3.300 . 4.600 3.025 2.713 3.249 . 0 0 "[ . 1 .]" 1
64 1 19 PRO HB2 1 22 THR H 3.200 . 4.500 3.286 3.151 3.539 . 0 0 "[ . 1 .]" 1
65 1 22 THR H 1 22 THR HB 2.600 . 3.400 2.617 2.462 2.755 . 0 0 "[ . 1 .]" 1
66 1 22 THR H 1 22 THR MG 3.900 . 5.800 3.738 3.708 3.749 . 0 0 "[ . 1 .]" 1
67 1 23 SER H 1 26 THR MG 4.000 . 6.000 3.554 3.281 3.915 . 0 0 "[ . 1 .]" 1
68 1 22 THR HA 1 23 SER H 2.100 . 2.700 2.214 2.145 2.267 . 0 0 "[ . 1 .]" 1
69 1 22 THR MG 1 23 SER H 2.600 . 3.500 2.478 2.349 2.678 . 0 0 "[ . 1 .]" 1
70 1 23 SER H 1 26 THR H 3.500 . 5.000 3.311 3.189 3.419 . 0 0 "[ . 1 .]" 1
71 1 23 SER H 1 26 THR HB 2.700 . 3.600 2.584 2.415 2.829 . 0 0 "[ . 1 .]" 1
72 1 23 SER H 1 24 ASP H 4.000 . 6.000 4.488 4.466 4.501 . 0 0 "[ . 1 .]" 1
73 1 23 SER HA 1 24 ASP H 2.300 . 2.900 2.356 2.314 2.410 . 0 0 "[ . 1 .]" 1
74 1 23 SER HB3 1 24 ASP H 3.300 . 4.700 3.807 3.727 3.849 . 0 0 "[ . 1 .]" 1
75 1 23 SER HB2 1 24 ASP H 2.500 . 3.300 2.522 2.400 2.576 . 0 0 "[ . 1 .]" 1
76 1 24 ASP H 1 24 ASP HB3 3.400 . 4.800 3.563 3.536 3.603 . 0 0 "[ . 1 .]" 1
77 1 24 ASP H 1 24 ASP HB2 2.600 . 3.500 2.793 2.719 2.852 . 0 0 "[ . 1 .]" 1
78 1 24 ASP H 1 25 LYS H 2.900 . 3.900 2.799 2.762 2.879 . 0 0 "[ . 1 .]" 1
79 1 24 ASP H 1 42 VAL HB 3.400 . 4.800 3.657 3.423 3.840 . 0 0 "[ . 1 .]" 1
80 1 23 SER HB3 1 25 LYS H 4.100 . 6.000 4.295 4.209 4.470 . 0 0 "[ . 1 .]" 1
81 1 23 SER HB2 1 25 LYS H 3.000 . 4.100 2.771 2.615 2.989 . 0 0 "[ . 1 .]" 1
82 1 24 ASP HB3 1 25 LYS H 3.900 . 5.800 3.898 3.843 3.979 . 0 0 "[ . 1 .]" 1
83 1 24 ASP HB2 1 25 LYS H 2.600 . 3.500 2.682 2.611 2.784 . 0 0 "[ . 1 .]" 1
84 1 25 LYS H 1 25 LYS HA 2.700 . 3.600 2.819 2.788 2.844 . 0 0 "[ . 1 .]" 1
85 1 25 LYS H 1 25 LYS HB3 2.600 . 3.400 2.545 2.357 2.666 . 0 0 "[ . 1 .]" 1
86 1 25 LYS H 1 25 LYS HB2 2.300 . 3.000 2.525 2.322 2.795 . 0 0 "[ . 1 .]" 1
87 1 23 SER HB3 1 26 THR H 4.400 . 6.000 4.430 4.268 4.595 . 0 0 "[ . 1 .]" 1
88 1 25 LYS HB3 1 26 THR H 2.600 . 3.500 2.660 2.436 2.863 . 0 0 "[ . 1 .]" 1
89 1 25 LYS HB2 1 26 THR H 3.400 . 4.900 3.896 3.694 4.066 . 0 0 "[ . 1 .]" 1
90 1 26 THR H 1 26 THR HA 2.600 . 3.400 2.816 2.804 2.825 . 0 0 "[ . 1 .]" 1
91 1 26 THR H 1 26 THR HB 2.600 . 3.400 2.647 2.552 2.721 . 0 0 "[ . 1 .]" 1
92 1 26 THR H 1 26 THR MG 3.300 . 4.700 3.760 3.741 3.779 . 0 0 "[ . 1 .]" 1
93 1 26 THR H 1 27 LEU H 2.700 . 3.600 2.664 2.640 2.699 . 0 0 "[ . 1 .]" 1
94 1 27 LEU H 1 27 LEU MD1 4.000 . 6.000 3.874 3.812 3.942 . 0 0 "[ . 1 .]" 1
95 1 27 LEU H 1 27 LEU HG 3.100 . 4.300 2.622 2.549 2.695 . 0 0 "[ . 1 .]" 1
96 1 27 LEU H 1 27 LEU MD2 4.100 . 6.000 3.394 3.331 3.455 . 0 0 "[ . 1 .]" 1
97 1 22 THR MG 1 27 LEU H 3.500 . 5.100 3.458 3.352 3.559 . 0 0 "[ . 1 .]" 1
98 1 26 THR HB 1 27 LEU H 2.900 . 3.900 2.658 2.607 2.722 . 0 0 "[ . 1 .]" 1
99 1 27 LEU H 1 27 LEU HA 2.700 . 3.600 2.874 2.865 2.887 . 0 0 "[ . 1 .]" 1
100 1 27 LEU H 1 27 LEU HB2 2.400 . 3.100 2.417 2.397 2.443 . 0 0 "[ . 1 .]" 1
101 1 27 LEU H 1 28 HIS H 2.700 . 3.600 2.494 2.431 2.578 . 0 0 "[ . 1 .]" 1
102 1 26 THR H 1 28 HIS H 4.100 . 6.000 4.124 4.020 4.233 . 0 0 "[ . 1 .]" 1
103 1 27 LEU HA 1 28 HIS H 3.000 . 4.100 3.511 3.485 3.525 . 0 0 "[ . 1 .]" 1
104 1 28 HIS H 1 28 HIS HA 2.600 . 3.400 2.764 2.751 2.772 . 0 0 "[ . 1 .]" 1
105 1 28 HIS H 1 40 ALA MB 2.800 . 3.800 2.812 2.664 2.945 . 0 0 "[ . 1 .]" 1
106 1 25 LYS H 1 29 GLU H 3.200 . 6.000 5.902 5.825 6.006 0.006 7 0 "[ . 1 .]" 1
107 1 29 GLU H 1 31 PHE HB2 4.700 . 6.000 5.938 5.794 6.029 0.029 4 0 "[ . 1 .]" 1
108 1 29 GLU H 1 32 GLU HG2 4.900 . 6.000 4.671 4.244 6.045 0.045 14 0 "[ . 1 .]" 1
109 1 28 HIS HA 1 29 GLU H 3.300 . 4.700 3.586 3.572 3.603 . 0 0 "[ . 1 .]" 1
110 1 29 GLU H 1 29 GLU QB . . 2.800 2.420 2.116 2.679 . 0 0 "[ . 1 .]" 1
111 1 29 GLU H 1 29 GLU HG2 2.300 . 3.000 2.319 1.888 3.117 0.117 14 0 "[ . 1 .]" 1
112 1 29 GLU H 1 30 TYR H 2.700 . 3.600 2.838 2.759 2.888 . 0 0 "[ . 1 .]" 1
113 1 29 GLU QB 1 30 TYR H 3.300 . 3.600 2.881 2.438 3.454 . 0 0 "[ . 1 .]" 1
114 1 29 GLU HG2 1 30 TYR H 4.400 . 6.000 3.510 2.143 4.280 . 0 0 "[ . 1 .]" 1
115 1 30 TYR H 1 30 TYR HA 2.600 . 3.400 2.844 2.823 2.854 . 0 0 "[ . 1 .]" 1
116 1 30 TYR H 1 30 TYR HB3 2.600 . 3.400 2.728 2.549 2.889 . 0 0 "[ . 1 .]" 1
117 1 30 TYR H 1 30 TYR HB2 2.500 . 3.300 2.395 2.190 2.610 . 0 0 "[ . 1 .]" 1
118 1 30 TYR H 1 30 TYR QD 4.400 . 6.000 4.141 3.961 4.240 . 0 0 "[ . 1 .]" 1
119 1 28 HIS HA 1 31 PHE H 3.900 . 5.800 4.255 4.110 4.456 . 0 0 "[ . 1 .]" 1
120 1 30 TYR HA 1 31 PHE H 3.400 . 4.800 3.569 3.558 3.583 . 0 0 "[ . 1 .]" 1
121 1 30 TYR QD 1 31 PHE H 3.800 . 5.600 3.536 3.176 3.850 . 0 0 "[ . 1 .]" 1
122 1 31 PHE H 1 31 PHE HB2 3.000 . 4.100 2.329 2.286 2.377 . 0 0 "[ . 1 .]" 1
123 1 31 PHE H 1 31 PHE HB3 2.300 . 6.000 3.566 3.546 3.595 . 0 0 "[ . 1 .]" 1
124 1 31 PHE H 1 37 ILE MD 3.700 . 5.400 3.410 3.276 3.564 . 0 0 "[ . 1 .]" 1
125 1 31 PHE H 1 32 GLU H 2.400 . 3.100 2.685 2.555 2.767 . 0 0 "[ . 1 .]" 1
126 1 31 PHE HB2 1 32 GLU H 3.300 . 4.700 3.136 3.038 3.174 . 0 0 "[ . 1 .]" 1
127 1 31 PHE HB3 1 32 GLU H 3.800 . 5.600 3.845 3.799 3.920 . 0 0 "[ . 1 .]" 1
128 1 32 GLU H 1 32 GLU HA 2.600 . 3.400 2.827 2.794 2.856 . 0 0 "[ . 1 .]" 1
129 1 32 GLU H 1 32 GLU HB3 2.500 . 3.300 2.694 2.477 3.440 0.140 14 0 "[ . 1 .]" 1
130 1 32 GLU H 1 32 GLU HB2 3.200 . 4.500 3.320 1.991 3.678 . 0 0 "[ . 1 .]" 1
131 1 32 GLU H 1 32 GLU HG3 2.700 . 3.600 3.384 2.448 4.140 0.540 10 1 "[ . + .]" 1
132 1 32 GLU H 1 33 GLN H 2.900 . 3.900 2.599 2.540 2.676 . 0 0 "[ . 1 .]" 1
133 1 32 GLU H 1 37 ILE MD 2.600 . 3.500 2.540 2.425 2.628 . 0 0 "[ . 1 .]" 1
134 1 31 PHE HA 1 33 GLN H 3.300 . 4.600 3.718 3.638 3.769 . 0 0 "[ . 1 .]" 1
135 1 32 GLU HB3 1 33 GLN H 3.900 . 5.800 4.005 3.283 4.220 . 0 0 "[ . 1 .]" 1
136 1 33 GLN H 1 33 GLN HA 2.700 . 3.600 2.829 2.815 2.845 . 0 0 "[ . 1 .]" 1
137 1 33 GLN H 1 34 PHE H 2.800 . 3.800 2.660 2.602 2.718 . 0 0 "[ . 1 .]" 1
138 1 33 GLN HA 1 33 GLN HE21 3.800 . 5.600 4.254 2.668 5.114 . 0 0 "[ . 1 .]" 1
139 1 33 GLN HE21 1 33 GLN QG 2.800 . 3.800 2.334 2.132 2.798 . 0 0 "[ . 1 .]" 1
140 1 32 GLU HA 1 34 PHE H 3.700 . 5.400 3.411 3.228 3.653 . 0 0 "[ . 1 .]" 1
141 1 33 GLN HA 1 34 PHE H 3.800 . 5.600 3.376 3.343 3.428 . 0 0 "[ . 1 .]" 1
142 1 34 PHE H 1 34 PHE QB 3.400 . 4.100 2.423 2.351 2.522 . 0 0 "[ . 1 .]" 1
143 1 34 PHE H 1 35 GLY H 2.300 . 3.000 2.278 2.160 2.550 . 0 0 "[ . 1 .]" 1
144 1 34 PHE H 1 59 MET ME 3.500 . 5.000 3.547 3.133 4.025 . 0 0 "[ . 1 .]" 1
145 1 32 GLU HA 1 35 GLY H 3.000 . 4.100 3.325 2.979 3.994 . 0 0 "[ . 1 .]" 1
146 1 33 GLN HA 1 35 GLY H 3.800 . 5.600 3.894 3.456 4.353 . 0 0 "[ . 1 .]" 1
147 1 34 PHE HA 1 35 GLY H 3.600 . 5.200 3.406 3.233 3.545 . 0 0 "[ . 1 .]" 1
148 1 34 PHE QB 1 35 GLY H 4.100 . 4.800 3.096 2.876 3.510 . 0 0 "[ . 1 .]" 1
149 1 35 GLY H 1 35 GLY HA3 3.000 . 4.100 2.882 2.842 2.940 . 0 0 "[ . 1 .]" 1
150 1 35 GLY H 1 35 GLY HA2 2.600 . 3.400 2.714 2.606 2.773 . 0 0 "[ . 1 .]" 1
151 1 35 GLY H 1 36 ASP H 4.100 . 6.000 3.876 2.264 4.379 . 0 0 "[ . 1 .]" 1
152 1 35 GLY H 1 59 MET ME 3.000 . 4.200 3.186 2.314 3.884 . 0 0 "[ . 1 .]" 1
153 1 36 ASP H 1 64 SER HA 5.000 . 6.000 5.653 5.123 6.332 0.332 4 0 "[ . 1 .]" 1
154 1 35 GLY HA3 1 36 ASP H 2.300 . 2.900 2.311 2.123 3.464 0.564 4 1 "[ +. 1 .]" 1
155 1 35 GLY HA2 1 36 ASP H 2.500 . 3.300 3.100 2.517 3.369 0.069 13 0 "[ . 1 .]" 1
156 1 36 ASP H 1 36 ASP HA 2.500 . 3.300 2.866 2.253 2.954 . 0 0 "[ . 1 .]" 1
157 1 36 ASP H 1 36 ASP QB 2.200 . 2.800 2.555 2.296 3.221 0.421 4 0 "[ . 1 .]" 1
158 1 36 ASP H 1 37 ILE H 4.700 . 6.000 4.339 3.751 4.551 . 0 0 "[ . 1 .]" 1
159 1 36 ASP H 1 60 LYS HB3 3.600 . 5.200 3.998 3.546 5.290 0.090 4 0 "[ . 1 .]" 1
160 1 36 ASP H 1 60 LYS HB2 3.700 . 5.400 4.941 4.368 5.477 0.077 4 0 "[ . 1 .]" 1
161 1 37 ILE H 1 40 ALA MB 4.900 . 6.000 5.980 5.851 6.080 0.080 7 0 "[ . 1 .]" 1
162 1 36 ASP HA 1 37 ILE H 2.100 . 2.700 2.163 2.087 2.281 . 0 0 "[ . 1 .]" 1
163 1 36 ASP QB 1 37 ILE H 3.200 . 4.500 3.155 2.794 3.446 . 0 0 "[ . 1 .]" 1
164 1 37 ILE H 1 37 ILE HA 2.900 . 4.000 2.923 2.901 2.937 . 0 0 "[ . 1 .]" 1
165 1 37 ILE H 1 37 ILE HB 2.200 . 2.800 2.346 2.274 2.412 . 0 0 "[ . 1 .]" 1
166 1 37 ILE H 1 37 ILE MD 4.000 . 6.000 3.923 3.742 4.090 . 0 0 "[ . 1 .]" 1
167 1 37 ILE H 1 38 GLU H 4.500 . 6.000 4.459 4.421 4.502 . 0 0 "[ . 1 .]" 1
168 1 37 ILE H 1 60 LYS HB3 4.100 . 6.000 5.019 4.707 5.330 . 0 0 "[ . 1 .]" 1
169 1 37 ILE H 1 60 LYS HB2 4.000 . 6.000 4.354 3.894 4.929 . 0 0 "[ . 1 .]" 1
170 1 38 GLU H 1 60 LYS H 3.500 . 5.000 3.221 2.917 3.512 . 0 0 "[ . 1 .]" 1
171 1 38 GLU H 1 58 THR MG 4.000 . 6.000 3.951 3.755 4.111 . 0 0 "[ . 1 .]" 1
172 1 38 GLU H 1 40 ALA MB 5.000 . 6.000 5.417 5.213 5.538 . 0 0 "[ . 1 .]" 1
173 1 38 GLU H 1 58 THR HB 3.800 . 5.600 3.706 3.588 3.852 . 0 0 "[ . 1 .]" 1
174 1 37 ILE HA 1 38 GLU H 2.100 . 2.600 2.140 2.090 2.170 . 0 0 "[ . 1 .]" 1
175 1 38 GLU H 1 38 GLU HA 2.800 . 3.800 2.886 2.873 2.902 . 0 0 "[ . 1 .]" 1
176 1 38 GLU H 1 38 GLU HB3 2.700 . 3.600 3.206 2.585 3.543 . 0 0 "[ . 1 .]" 1
177 1 38 GLU H 1 38 GLU HB2 2.600 . 3.500 2.235 2.065 2.432 . 0 0 "[ . 1 .]" 1
178 1 38 GLU H 1 38 GLU QG 4.200 . 6.000 3.265 2.436 4.055 . 0 0 "[ . 1 .]" 1
179 1 38 GLU H 1 59 MET HA 2.700 . 3.600 2.690 2.565 2.814 . 0 0 "[ . 1 .]" 1
180 1 37 ILE HA 1 39 GLU H 4.000 . 6.000 3.932 3.750 4.035 . 0 0 "[ . 1 .]" 1
181 1 38 GLU H 1 39 GLU H 2.300 . 2.900 2.366 2.305 2.442 . 0 0 "[ . 1 .]" 1
182 1 38 GLU HA 1 39 GLU H 3.600 . 5.200 3.525 3.505 3.562 . 0 0 "[ . 1 .]" 1
183 1 38 GLU HB3 1 39 GLU H 2.900 . 3.900 2.942 2.454 3.317 . 0 0 "[ . 1 .]" 1
184 1 38 GLU HB2 1 39 GLU H 3.400 . 4.800 2.913 2.218 3.626 . 0 0 "[ . 1 .]" 1
185 1 38 GLU QG 1 39 GLU H 3.800 . 5.600 4.141 3.862 4.427 . 0 0 "[ . 1 .]" 1
186 1 39 GLU H 1 39 GLU HA 3.000 . 4.100 2.889 2.863 2.928 . 0 0 "[ . 1 .]" 1
187 1 39 GLU H 1 40 ALA H 3.900 . 5.800 4.232 4.186 4.276 . 0 0 "[ . 1 .]" 1
188 1 39 GLU H 1 58 THR H 2.900 . 3.900 2.968 2.746 3.200 . 0 0 "[ . 1 .]" 1
189 1 39 GLU H 1 58 THR HB 2.700 . 3.600 2.575 2.440 2.772 . 0 0 "[ . 1 .]" 1
190 1 39 GLU H 1 58 THR MG 4.100 . 6.000 3.960 3.766 4.164 . 0 0 "[ . 1 .]" 1
191 1 28 HIS H 1 40 ALA H 4.500 . 6.000 6.049 5.952 6.114 0.114 9 0 "[ . 1 .]" 1
192 1 39 GLU HA 1 40 ALA H 2.200 . 2.800 2.244 2.222 2.276 . 0 0 "[ . 1 .]" 1
193 1 39 GLU HB3 1 40 ALA H 3.400 . 4.800 4.051 3.769 4.205 . 0 0 "[ . 1 .]" 1
194 1 39 GLU HB2 1 40 ALA H 4.500 . 6.000 4.189 4.050 4.436 . 0 0 "[ . 1 .]" 1
195 1 39 GLU HG2 1 40 ALA H 3.600 . 5.200 3.761 2.830 4.361 . 0 0 "[ . 1 .]" 1
196 1 40 ALA H 1 40 ALA HA 2.900 . 4.000 2.931 2.925 2.941 . 0 0 "[ . 1 .]" 1
197 1 40 ALA H 1 40 ALA MB 2.600 . 3.500 2.606 2.583 2.627 . 0 0 "[ . 1 .]" 1
198 1 40 ALA HA 1 41 VAL H 2.200 . 2.800 2.145 2.118 2.194 . 0 0 "[ . 1 .]" 1
199 1 40 ALA MB 1 41 VAL H 3.300 . 4.700 3.264 3.211 3.302 . 0 0 "[ . 1 .]" 1
200 1 41 VAL H 1 41 VAL HA 2.600 . 3.400 2.936 2.930 2.942 . 0 0 "[ . 1 .]" 1
201 1 41 VAL H 1 41 VAL HB 3.600 . 5.300 3.880 3.857 3.893 . 0 0 "[ . 1 .]" 1
202 1 41 VAL H 1 42 VAL HA 4.000 . 6.000 4.860 4.812 4.925 . 0 0 "[ . 1 .]" 1
203 1 59 MET H 1 59 MET HB2 2.500 . 3.300 2.502 2.446 2.605 . 0 0 "[ . 1 .]" 1
204 1 41 VAL HA 1 42 VAL H 2.000 . 2.500 2.231 2.198 2.254 . 0 0 "[ . 1 .]" 1
205 1 42 VAL H 1 42 VAL HA 3.000 . 4.100 2.939 2.925 2.952 . 0 0 "[ . 1 .]" 1
206 1 42 VAL H 1 42 VAL HB 2.300 . 3.000 2.542 2.478 2.596 . 0 0 "[ . 1 .]" 1
207 1 43 ILE H 1 43 ILE HA 2.800 . 3.800 2.900 2.891 2.911 . 0 0 "[ . 1 .]" 1
208 1 43 ILE H 1 55 GLY HA2 2.500 . 3.300 2.151 2.029 2.296 . 0 0 "[ . 1 .]" 1
209 1 27 LEU MD1 1 43 ILE H 4.300 . 6.000 4.276 4.137 4.363 . 0 0 "[ . 1 .]" 1
210 1 42 VAL HA 1 43 ILE H 2.200 . 2.800 2.277 2.255 2.297 . 0 0 "[ . 1 .]" 1
211 1 43 ILE MD 1 44 THR H 3.600 . 5.300 3.342 3.148 3.451 . 0 0 "[ . 1 .]" 1
212 1 44 THR H 1 52 ARG H 4.400 . 6.000 4.730 4.594 4.931 . 0 0 "[ . 1 .]" 1
213 1 44 THR H 1 52 ARG HB2 5.100 . 6.000 5.364 4.860 5.813 . 0 0 "[ . 1 .]" 1
214 1 43 ILE HA 1 44 THR H 2.000 . 2.500 2.070 2.052 2.090 . 0 0 "[ . 1 .]" 1
215 1 44 THR H 1 44 THR HB 3.400 . 4.800 3.742 3.708 3.770 . 0 0 "[ . 1 .]" 1
216 1 45 ASP H 1 52 ARG HG3 3.600 . 5.200 2.729 2.319 3.256 . 0 0 "[ . 1 .]" 1
217 1 44 THR HB 1 45 ASP H 2.500 . 3.300 2.940 2.771 3.013 . 0 0 "[ . 1 .]" 1
218 1 44 THR MG 1 45 ASP H 3.900 . 5.800 3.850 3.759 3.945 . 0 0 "[ . 1 .]" 1
219 1 45 ASP H 1 45 ASP HA 2.800 . 3.800 2.765 2.739 2.828 . 0 0 "[ . 1 .]" 1
220 1 45 ASP H 1 45 ASP HB3 2.600 . 3.500 2.414 2.331 2.531 . 0 0 "[ . 1 .]" 1
221 1 45 ASP H 1 45 ASP HB2 2.500 . 3.300 2.620 2.514 2.737 . 0 0 "[ . 1 .]" 1
222 1 45 ASP H 1 50 LYS H 3.200 . 4.500 3.074 2.766 3.423 . 0 0 "[ . 1 .]" 1
223 1 45 ASP H 1 51 SER HA 4.300 . 6.000 4.201 4.014 4.455 . 0 0 "[ . 1 .]" 1
224 1 45 ASP H 1 52 ARG H 4.600 . 6.000 4.327 4.115 4.656 . 0 0 "[ . 1 .]" 1
225 1 46 ARG H 2 6 DG H5'' 3.000 . 6.000 6.047 5.869 6.191 0.191 4 0 "[ . 1 .]" 1
226 1 45 ASP HA 1 46 ARG H 2.400 . 3.100 2.160 2.133 2.194 . 0 0 "[ . 1 .]" 1
227 1 45 ASP HB3 1 46 ARG H 4.100 . 6.000 4.204 4.086 4.329 . 0 0 "[ . 1 .]" 1
228 1 45 ASP HB2 1 46 ARG H 4.600 . 6.000 4.063 3.979 4.177 . 0 0 "[ . 1 .]" 1
229 1 46 ARG H 1 46 ARG QB 2.500 . 3.300 2.380 2.177 2.854 . 0 0 "[ . 1 .]" 1
230 1 46 ARG H 1 46 ARG QG 3.800 . 5.600 3.334 1.889 4.054 0.111 11 0 "[ . 1 .]" 1
231 1 47 ASN H 1 48 THR MG 4.600 . 6.000 4.386 3.992 4.553 . 0 0 "[ . 1 .]" 1
232 1 47 ASN H 1 49 GLN H 3.700 . 5.400 3.440 3.339 3.673 . 0 0 "[ . 1 .]" 1
233 1 45 ASP HB3 1 47 ASN H 3.800 . 5.600 3.825 3.546 4.052 . 0 0 "[ . 1 .]" 1
234 1 46 ARG HA 1 47 ASN H 3.200 . 4.500 3.475 3.414 3.545 . 0 0 "[ . 1 .]" 1
235 1 46 ARG QB 1 47 ASN H 3.100 . 4.300 3.311 2.620 3.801 . 0 0 "[ . 1 .]" 1
236 1 47 ASN H 1 47 ASN HA 2.300 . 2.900 2.905 2.848 2.927 0.027 12 0 "[ . 1 .]" 1
237 1 47 ASN H 1 47 ASN QB 3.600 . 3.800 2.407 2.260 2.581 . 0 0 "[ . 1 .]" 1
238 1 47 ASN H 1 48 THR H 2.600 . 3.500 2.472 2.318 2.696 . 0 0 "[ . 1 .]" 1
239 1 47 ASN QB 1 47 ASN HD21 3.100 . 4.300 2.310 2.159 2.780 . 0 0 "[ . 1 .]" 1
240 1 48 THR H 1 50 LYS H 4.300 . 6.000 3.873 3.615 4.056 . 0 0 "[ . 1 .]" 1
241 1 47 ASN HA 1 48 THR H 2.700 . 3.600 3.547 3.378 3.580 . 0 0 "[ . 1 .]" 1
242 1 47 ASN QB 1 48 THR H 3.300 . 4.100 2.455 2.210 3.272 . 0 0 "[ . 1 .]" 1
243 1 48 THR H 1 48 THR HA 2.600 . 3.500 2.920 2.905 2.942 . 0 0 "[ . 1 .]" 1
244 1 48 THR H 1 48 THR MG 2.500 . 3.300 2.632 2.433 3.076 . 0 0 "[ . 1 .]" 1
245 1 48 THR H 1 49 GLN H 2.300 . 2.900 2.155 1.624 2.298 0.076 10 0 "[ . 1 .]" 1
246 1 48 THR H 1 49 GLN HA 4.300 . 6.000 4.408 3.834 4.561 . 0 0 "[ . 1 .]" 1
247 1 45 ASP HB2 1 49 GLN H 4.500 . 6.000 4.587 4.204 4.897 . 0 0 "[ . 1 .]" 1
248 1 48 THR HA 1 49 GLN H 3.100 . 4.300 3.378 3.345 3.402 . 0 0 "[ . 1 .]" 1
249 1 48 THR MG 1 49 GLN H 4.500 . 6.000 4.060 3.983 4.164 . 0 0 "[ . 1 .]" 1
250 1 49 GLN H 1 49 GLN HA 2.100 . 2.600 2.289 2.264 2.318 . 0 0 "[ . 1 .]" 1
251 1 49 GLN H 1 49 GLN QG 2.800 . 3.800 2.796 2.682 2.917 . 0 0 "[ . 1 .]" 1
252 1 49 GLN H 1 50 LYS H 2.500 . 3.300 2.532 2.444 2.607 . 0 0 "[ . 1 .]" 1
253 1 49 GLN HE21 1 49 GLN QG 3.400 . 4.800 2.507 2.169 2.781 . 0 0 "[ . 1 .]" 1
254 1 50 LYS H 1 50 LYS HB3 3.000 . 4.100 3.275 3.122 3.392 . 0 0 "[ . 1 .]" 1
255 1 44 THR HB 1 50 LYS H 3.600 . 5.200 3.195 2.804 3.536 . 0 0 "[ . 1 .]" 1
256 1 45 ASP HB3 1 50 LYS H 3.100 . 4.300 2.661 2.348 3.314 . 0 0 "[ . 1 .]" 1
257 1 45 ASP HB2 1 50 LYS H 3.600 . 5.200 4.198 3.796 4.755 . 0 0 "[ . 1 .]" 1
258 1 48 THR MG 1 50 LYS H 4.400 . 6.000 4.499 4.294 4.656 . 0 0 "[ . 1 .]" 1
259 1 49 GLN QB 1 50 LYS H 3.700 . 5.400 3.638 3.576 3.686 . 0 0 "[ . 1 .]" 1
260 1 49 GLN HA 1 50 LYS H 2.800 . 3.800 2.904 2.820 3.028 . 0 0 "[ . 1 .]" 1
261 1 50 LYS H 1 50 LYS HA 2.500 . 3.300 2.917 2.870 2.944 . 0 0 "[ . 1 .]" 1
262 1 50 LYS H 1 50 LYS HB2 2.500 . 3.300 2.500 2.401 2.640 . 0 0 "[ . 1 .]" 1
263 1 50 LYS H 1 50 LYS QG 2.500 . 3.300 2.517 2.132 2.744 . 0 0 "[ . 1 .]" 1
264 1 44 THR MG 1 51 SER H 3.900 . 5.800 2.893 2.665 3.451 . 0 0 "[ . 1 .]" 1
265 1 50 LYS H 1 51 SER H 4.600 . 6.000 4.531 4.494 4.625 . 0 0 "[ . 1 .]" 1
266 1 50 LYS HA 1 51 SER H 2.400 . 3.100 2.232 2.169 2.393 . 0 0 "[ . 1 .]" 1
267 1 50 LYS HB3 1 51 SER H 3.700 . 5.400 3.059 2.603 3.339 . 0 0 "[ . 1 .]" 1
268 1 50 LYS HB2 1 51 SER H 4.200 . 6.000 4.047 3.757 4.223 . 0 0 "[ . 1 .]" 1
269 1 51 SER H 1 51 SER HB3 3.100 . 4.300 3.262 2.538 3.614 . 0 0 "[ . 1 .]" 1
270 1 51 SER H 1 51 SER HB2 2.700 . 3.600 2.790 2.472 3.553 . 0 0 "[ . 1 .]" 1
271 1 44 THR HA 1 52 ARG H 2.800 . 3.800 2.747 2.483 3.050 . 0 0 "[ . 1 .]" 1
272 1 44 THR MG 1 52 ARG H 4.200 . 6.000 3.441 3.028 3.650 . 0 0 "[ . 1 .]" 1
273 1 51 SER H 1 52 ARG H 4.600 . 6.000 4.552 4.489 4.582 . 0 0 "[ . 1 .]" 1
274 1 51 SER HA 1 52 ARG H 2.200 . 2.800 2.158 2.134 2.186 . 0 0 "[ . 1 .]" 1
275 1 51 SER HB3 1 52 ARG H 3.800 . 5.600 3.516 3.106 4.082 . 0 0 "[ . 1 .]" 1
276 1 52 ARG H 1 52 ARG HB2 3.700 . 5.400 2.505 2.382 2.694 . 0 0 "[ . 1 .]" 1
277 1 52 ARG H 1 52 ARG HB3 3.100 . 4.300 3.652 3.598 3.708 . 0 0 "[ . 1 .]" 1
278 1 52 ARG H 1 52 ARG HG3 3.100 . 4.300 2.586 2.406 2.846 . 0 0 "[ . 1 .]" 1
279 1 52 ARG H 1 52 ARG HG2 3.800 . 5.600 3.513 3.067 3.859 . 0 0 "[ . 1 .]" 1
280 1 52 ARG H 1 53 GLY H 2.900 . 4.000 2.574 2.398 2.682 . 0 0 "[ . 1 .]" 1
281 1 52 ARG HA 1 53 GLY H 3.700 . 5.500 3.069 3.001 3.140 . 0 0 "[ . 1 .]" 1
282 1 53 GLY H 1 53 GLY HA2 2.800 . 3.800 2.302 2.293 2.309 . 0 0 "[ . 1 .]" 1
283 1 52 ARG HB3 1 54 TYR H 3.500 . 5.000 4.324 3.901 4.566 . 0 0 "[ . 1 .]" 1
284 1 18 LEU HB2 1 54 TYR H 3.600 . 5.200 3.876 3.808 3.982 . 0 0 "[ . 1 .]" 1
285 1 52 ARG HB2 1 54 TYR H 4.000 . 6.000 3.277 3.086 3.472 . 0 0 "[ . 1 .]" 1
286 1 52 ARG H 1 54 TYR H 3.600 . 5.200 3.373 3.231 3.643 . 0 0 "[ . 1 .]" 1
287 1 54 TYR H 1 54 TYR HB3 4.500 . 6.000 3.471 3.404 3.525 . 0 0 "[ . 1 .]" 1
288 1 18 LEU MD1 1 54 TYR H 4.000 . 6.000 4.056 3.890 4.236 . 0 0 "[ . 1 .]" 1
289 1 53 GLY H 1 54 TYR H 2.700 . 3.600 2.721 2.606 2.788 . 0 0 "[ . 1 .]" 1
290 1 53 GLY HA2 1 54 TYR H 3.300 . 4.700 3.136 3.043 3.187 . 0 0 "[ . 1 .]" 1
291 1 54 TYR H 1 54 TYR HA 2.900 . 4.000 2.876 2.854 2.894 . 0 0 "[ . 1 .]" 1
292 1 54 TYR H 1 54 TYR QD 3.900 . 5.800 3.299 3.074 3.482 . 0 0 "[ . 1 .]" 1
293 1 54 TYR HB2 1 55 GLY H 2.600 . 3.400 2.299 2.245 2.374 . 0 0 "[ . 1 .]" 1
294 1 15 VAL H 1 55 GLY H 3.200 . 4.500 3.165 2.959 3.381 . 0 0 "[ . 1 .]" 1
295 1 54 TYR H 1 55 GLY H 4.400 . 6.000 4.381 4.355 4.402 . 0 0 "[ . 1 .]" 1
296 1 54 TYR HB3 1 55 GLY H 4.000 . 6.000 3.686 3.621 3.766 . 0 0 "[ . 1 .]" 1
297 1 15 VAL HB 1 55 GLY H 2.800 . 3.800 2.661 2.497 2.849 . 0 0 "[ . 1 .]" 1
298 1 18 LEU MD1 1 55 GLY H 2.800 . 3.800 2.613 2.303 2.815 . 0 0 "[ . 1 .]" 1
299 1 54 TYR HA 1 55 GLY H 2.400 . 3.200 2.501 2.477 2.545 . 0 0 "[ . 1 .]" 1
300 1 54 TYR QD 1 55 GLY H 3.600 . 5.200 3.164 3.025 3.269 . 0 0 "[ . 1 .]" 1
301 1 55 GLY H 1 55 GLY HA3 2.700 . 3.600 2.684 2.655 2.710 . 0 0 "[ . 1 .]" 1
302 1 41 VAL H 1 56 PHE H 3.000 . 4.200 3.216 3.130 3.304 . 0 0 "[ . 1 .]" 1
303 1 43 ILE MD 1 56 PHE H 3.600 . 5.200 3.291 3.127 3.565 . 0 0 "[ . 1 .]" 1
304 1 55 GLY H 1 56 PHE H 4.300 . 6.000 4.373 4.342 4.386 . 0 0 "[ . 1 .]" 1
305 1 43 ILE H 1 56 PHE H 3.900 . 5.800 4.236 4.151 4.360 . 0 0 "[ . 1 .]" 1
306 1 55 GLY HA3 1 56 PHE H 2.400 . 3.100 2.489 2.420 2.532 . 0 0 "[ . 1 .]" 1
307 1 55 GLY HA2 1 56 PHE H 2.500 . 3.300 2.601 2.532 2.669 . 0 0 "[ . 1 .]" 1
308 1 56 PHE H 1 56 PHE HA 3.000 . 4.200 2.926 2.920 2.932 . 0 0 "[ . 1 .]" 1
309 1 56 PHE H 1 56 PHE HB3 3.900 . 5.800 3.763 3.739 3.803 . 0 0 "[ . 1 .]" 1
310 1 56 PHE H 1 56 PHE HB2 3.200 . 4.400 2.668 2.632 2.705 . 0 0 "[ . 1 .]" 1
311 1 56 PHE H 1 56 PHE QD 3.400 . 4.900 3.432 3.277 3.734 . 0 0 "[ . 1 .]" 1
312 1 57 VAL H 1 57 VAL HB 2.700 . 3.600 2.697 2.623 2.782 . 0 0 "[ . 1 .]" 1
313 1 14 PHE HA 1 57 VAL H 4.100 . 6.000 3.949 3.828 4.164 . 0 0 "[ . 1 .]" 1
314 1 12 LYS HA 1 57 VAL H 4.400 . 6.000 4.844 4.454 5.210 . 0 0 "[ . 1 .]" 1
315 1 13 ILE H 1 57 VAL H 3.000 . 4.200 3.307 2.968 3.542 . 0 0 "[ . 1 .]" 1
316 1 13 ILE HB 1 57 VAL H 3.000 . 4.100 3.005 2.833 3.200 . 0 0 "[ . 1 .]" 1
317 1 56 PHE HA 1 57 VAL H 2.300 . 3.000 2.083 2.055 2.125 . 0 0 "[ . 1 .]" 1
318 1 56 PHE HB3 1 57 VAL H 3.400 . 4.900 3.014 2.863 3.078 . 0 0 "[ . 1 .]" 1
319 1 56 PHE HB2 1 57 VAL H 4.000 . 6.000 4.133 4.050 4.172 . 0 0 "[ . 1 .]" 1
320 1 56 PHE QD 1 57 VAL H 3.500 . 5.000 3.457 3.282 3.636 . 0 0 "[ . 1 .]" 1
321 1 57 VAL H 1 57 VAL HA 2.900 . 4.000 2.950 2.943 2.956 . 0 0 "[ . 1 .]" 1
322 1 57 VAL H 1 58 THR H 4.100 . 6.000 4.272 4.222 4.332 . 0 0 "[ . 1 .]" 1
323 1 40 ALA MB 1 58 THR H 4.200 . 6.000 4.040 3.766 4.257 . 0 0 "[ . 1 .]" 1
324 1 39 GLU HB3 1 58 THR H 3.700 . 5.400 3.553 2.891 4.047 . 0 0 "[ . 1 .]" 1
325 1 39 GLU HB2 1 58 THR H 4.800 . 6.000 4.996 4.483 5.472 . 0 0 "[ . 1 .]" 1
326 1 40 ALA HA 1 58 THR H 3.100 . 4.300 3.412 3.166 3.605 . 0 0 "[ . 1 .]" 1
327 1 57 VAL HA 1 58 THR H 2.200 . 2.800 2.132 2.106 2.145 . 0 0 "[ . 1 .]" 1
328 1 58 THR H 1 58 THR HB 2.800 . 3.800 2.661 2.599 2.723 . 0 0 "[ . 1 .]" 1
329 1 58 THR H 1 58 THR MG 4.100 . 6.000 3.846 3.830 3.862 . 0 0 "[ . 1 .]" 1
330 1 59 MET H 1 59 MET HB3 2.500 . 3.300 2.366 2.283 2.945 . 0 0 "[ . 1 .]" 1
331 1 58 THR MG 1 59 MET H 2.800 . 3.800 3.120 3.061 3.216 . 0 0 "[ . 1 .]" 1
332 1 59 MET H 1 59 MET HG3 4.200 . 6.000 3.646 2.621 3.797 . 0 0 "[ . 1 .]" 1
333 1 59 MET HA 1 60 LYS H 2.200 . 2.800 2.207 2.144 2.270 . 0 0 "[ . 1 .]" 1
334 1 59 MET HB3 1 60 LYS H 2.400 . 3.100 2.779 2.582 2.957 . 0 0 "[ . 1 .]" 1
335 1 59 MET HB2 1 60 LYS H 4.100 . 6.000 3.838 3.692 3.953 . 0 0 "[ . 1 .]" 1
336 1 59 MET HG3 1 60 LYS H 4.400 . 6.000 5.056 4.872 5.174 . 0 0 "[ . 1 .]" 1
337 1 60 LYS H 1 60 LYS HA 2.400 . 3.100 2.848 2.832 2.870 . 0 0 "[ . 1 .]" 1
338 1 60 LYS H 1 60 LYS HB3 2.400 . 3.100 2.608 2.467 2.754 . 0 0 "[ . 1 .]" 1
339 1 60 LYS H 1 60 LYS HB2 2.200 . 2.800 2.404 2.243 2.511 . 0 0 "[ . 1 .]" 1
340 1 60 LYS H 1 60 LYS QG 3.500 . 5.100 3.956 3.903 3.988 . 0 0 "[ . 1 .]" 1
341 1 11 THR MG 1 61 ASP H 3.200 . 4.500 3.691 3.549 3.834 . 0 0 "[ . 1 .]" 1
342 1 59 MET HB2 1 61 ASP H 3.700 . 5.400 3.220 3.130 3.344 . 0 0 "[ . 1 .]" 1
343 1 59 MET HG3 1 61 ASP H 4.600 . 6.000 4.882 4.798 5.317 . 0 0 "[ . 1 .]" 1
344 1 60 LYS H 1 61 ASP H 2.500 . 3.300 2.524 2.392 2.631 . 0 0 "[ . 1 .]" 1
345 1 60 LYS HB2 1 61 ASP H 3.100 . 4.300 4.090 3.947 4.209 . 0 0 "[ . 1 .]" 1
346 1 60 LYS QD 1 61 ASP H 2.400 . 6.000 5.442 5.247 5.644 . 0 0 "[ . 1 .]" 1
347 1 60 LYS QG 1 61 ASP H 4.300 . 6.000 4.253 4.130 4.396 . 0 0 "[ . 1 .]" 1
348 1 61 ASP H 1 61 ASP HA 2.800 . 3.800 2.908 2.889 2.922 . 0 0 "[ . 1 .]" 1
349 1 61 ASP H 1 61 ASP HB3 3.300 . 4.700 2.830 2.651 3.249 . 0 0 "[ . 1 .]" 1
350 1 61 ASP H 1 61 ASP HB2 3.200 . 4.500 3.485 3.282 3.967 . 0 0 "[ . 1 .]" 1
351 1 11 THR MG 1 62 ARG H 3.400 . 4.800 3.291 2.891 3.479 . 0 0 "[ . 1 .]" 1
352 1 61 ASP HA 1 62 ARG H 2.500 . 3.300 2.256 2.208 2.296 . 0 0 "[ . 1 .]" 1
353 1 61 ASP HB3 1 62 ARG H 3.100 . 4.300 3.981 3.732 4.209 . 0 0 "[ . 1 .]" 1
354 1 61 ASP HB2 1 62 ARG H 3.600 . 5.200 3.764 2.716 4.018 . 0 0 "[ . 1 .]" 1
355 1 62 ARG H 1 62 ARG QB 2.600 . 3.400 2.182 2.026 2.276 . 0 0 "[ . 1 .]" 1
356 1 62 ARG H 1 65 ALA MB 4.400 . 6.000 4.746 4.588 4.856 . 0 0 "[ . 1 .]" 1
357 1 63 ALA H 1 65 ALA H 3.900 . 5.800 4.075 3.953 4.167 . 0 0 "[ . 1 .]" 1
358 1 62 ARG HG3 1 63 ALA H 4.100 . 6.000 4.681 4.253 5.068 . 0 0 "[ . 1 .]" 1
359 1 62 ARG QB 1 63 ALA H 2.700 . 3.600 2.662 2.519 3.028 . 0 0 "[ . 1 .]" 1
360 1 62 ARG QD 1 63 ALA H 3.300 . 4.700 4.353 4.112 4.505 . 0 0 "[ . 1 .]" 1
361 1 63 ALA H 1 63 ALA HA 2.600 . 3.500 2.829 2.807 2.848 . 0 0 "[ . 1 .]" 1
362 1 63 ALA H 1 63 ALA MB 2.200 . 2.800 2.247 2.229 2.264 . 0 0 "[ . 1 .]" 1
363 1 63 ALA H 1 64 SER H 2.600 . 3.500 2.632 2.581 2.670 . 0 0 "[ . 1 .]" 1
364 1 62 ARG QB 1 64 SER H 3.300 . 4.700 4.504 4.410 4.638 . 0 0 "[ . 1 .]" 1
365 1 61 ASP HB3 1 64 SER H 3.600 . 5.200 3.283 2.816 4.693 . 0 0 "[ . 1 .]" 1
366 1 61 ASP H 1 64 SER H 4.000 . 6.000 4.542 4.317 4.642 . 0 0 "[ . 1 .]" 1
367 1 63 ALA HA 1 64 SER H 3.100 . 4.300 3.529 3.508 3.557 . 0 0 "[ . 1 .]" 1
368 1 63 ALA MB 1 64 SER H 2.500 . 3.300 2.529 2.473 2.603 . 0 0 "[ . 1 .]" 1
369 1 64 SER H 1 64 SER HA 2.900 . 4.000 2.818 2.807 2.833 . 0 0 "[ . 1 .]" 1
370 1 64 SER H 1 64 SER HB3 3.200 . 4.500 3.528 2.865 3.603 . 0 0 "[ . 1 .]" 1
371 1 64 SER H 1 64 SER HB2 2.500 . 3.300 2.648 2.521 3.453 0.153 4 0 "[ . 1 .]" 1
372 1 64 SER H 1 65 ALA H 2.500 . 3.300 2.625 2.572 2.657 . 0 0 "[ . 1 .]" 1
373 1 59 MET HB3 1 65 ALA H 3.600 . 5.200 3.338 3.180 3.576 . 0 0 "[ . 1 .]" 1
374 1 59 MET HB2 1 65 ALA H 3.600 . 5.200 3.434 3.238 3.670 . 0 0 "[ . 1 .]" 1
375 1 61 ASP H 1 65 ALA H 3.500 . 5.000 4.287 4.090 4.406 . 0 0 "[ . 1 .]" 1
376 1 64 SER HB3 1 65 ALA H 3.700 . 5.400 3.736 3.678 3.956 . 0 0 "[ . 1 .]" 1
377 1 65 ALA H 1 65 ALA MB 2.200 . 2.800 2.230 2.221 2.238 . 0 0 "[ . 1 .]" 1
378 1 65 ALA H 1 66 GLU H 2.500 . 3.300 2.674 2.651 2.702 . 0 0 "[ . 1 .]" 1
379 1 63 ALA HA 1 66 GLU H 2.900 . 3.900 3.378 3.185 3.470 . 0 0 "[ . 1 .]" 1
380 1 65 ALA MB 1 66 GLU H 2.400 . 3.100 2.507 2.451 2.554 . 0 0 "[ . 1 .]" 1
381 1 66 GLU H 1 66 GLU QB 2.300 . 3.000 2.224 2.126 2.318 . 0 0 "[ . 1 .]" 1
382 1 66 GLU H 1 66 GLU HA 2.500 . 3.300 2.829 2.818 2.838 . 0 0 "[ . 1 .]" 1
383 1 66 GLU H 1 66 GLU QG 3.300 . 4.700 3.825 2.504 3.974 . 0 0 "[ . 1 .]" 1
384 1 66 GLU H 1 67 ARG H 2.500 . 3.300 2.639 2.603 2.665 . 0 0 "[ . 1 .]" 1
385 1 67 ARG H 1 67 ARG HG3 3.300 . 4.600 3.176 2.087 3.801 . 0 0 "[ . 1 .]" 1
386 1 67 ARG H 1 67 ARG HA 2.600 . 3.400 2.796 2.767 2.832 . 0 0 "[ . 1 .]" 1
387 1 65 ALA H 1 67 ARG H 4.100 . 6.000 4.234 4.188 4.288 . 0 0 "[ . 1 .]" 1
388 1 66 GLU QG 1 67 ARG H 4.000 . 6.000 4.119 3.686 4.500 . 0 0 "[ . 1 .]" 1
389 1 67 ARG H 1 68 ALA MB 4.600 . 6.000 4.318 4.240 4.386 . 0 0 "[ . 1 .]" 1
390 1 64 SER HA 1 67 ARG H 3.300 . 4.700 3.618 3.476 3.729 . 0 0 "[ . 1 .]" 1
391 1 67 ARG H 1 67 ARG HB3 3.200 . 4.500 3.617 3.597 3.639 . 0 0 "[ . 1 .]" 1
392 1 67 ARG H 1 67 ARG HB2 2.100 . 2.700 2.587 2.531 2.679 . 0 0 "[ . 1 .]" 1
393 1 34 PHE QB 1 68 ALA H 3.800 . 5.600 3.557 3.103 3.877 . 0 0 "[ . 1 .]" 1
394 1 67 ARG HG3 1 68 ALA H 4.400 . 6.000 4.627 4.027 5.049 . 0 0 "[ . 1 .]" 1
395 1 34 PHE QE 1 68 ALA H 4.100 . 6.000 4.060 3.858 4.621 . 0 0 "[ . 1 .]" 1
396 1 65 ALA H 1 68 ALA H 3.800 . 5.600 4.943 4.893 4.996 . 0 0 "[ . 1 .]" 1
397 1 13 ILE MD 1 68 ALA H 4.100 . 6.000 4.070 3.912 4.227 . 0 0 "[ . 1 .]" 1
398 1 65 ALA HA 1 68 ALA H 3.000 . 4.100 3.716 3.617 3.788 . 0 0 "[ . 1 .]" 1
399 1 66 GLU H 1 68 ALA H 3.900 . 5.800 4.122 4.050 4.189 . 0 0 "[ . 1 .]" 1
400 1 67 ARG HA 1 68 ALA H 3.400 . 4.800 3.520 3.496 3.530 . 0 0 "[ . 1 .]" 1
401 1 67 ARG HB3 1 68 ALA H 3.500 . 5.000 3.653 3.492 3.785 . 0 0 "[ . 1 .]" 1
402 1 67 ARG HB2 1 68 ALA H 2.600 . 3.500 2.550 2.408 2.667 . 0 0 "[ . 1 .]" 1
403 1 68 ALA H 1 68 ALA HA 2.700 . 3.600 2.801 2.790 2.810 . 0 0 "[ . 1 .]" 1
404 1 68 ALA H 1 68 ALA MB 2.200 . 2.800 2.230 2.222 2.244 . 0 0 "[ . 1 .]" 1
405 1 68 ALA H 1 69 CYS H 2.600 . 3.500 2.718 2.663 2.754 . 0 0 "[ . 1 .]" 1
406 1 13 ILE MD 1 69 CYS H 3.700 . 5.400 3.874 3.728 4.025 . 0 0 "[ . 1 .]" 1
407 1 66 GLU HA 1 69 CYS H 3.100 . 4.300 2.997 2.841 3.164 . 0 0 "[ . 1 .]" 1
408 1 68 ALA HA 1 69 CYS H 3.500 . 5.000 3.537 3.515 3.579 . 0 0 "[ . 1 .]" 1
409 1 68 ALA MB 1 69 CYS H 2.900 . 4.000 2.644 2.586 2.729 . 0 0 "[ . 1 .]" 1
410 1 69 CYS H 1 69 CYS HA 2.800 . 3.800 2.882 2.872 2.893 . 0 0 "[ . 1 .]" 1
411 1 69 CYS H 1 69 CYS HB3 3.500 . 5.100 3.611 3.593 3.634 . 0 0 "[ . 1 .]" 1
412 1 69 CYS H 1 69 CYS HB2 2.400 . 3.100 2.489 2.441 2.527 . 0 0 "[ . 1 .]" 1
413 1 69 CYS H 1 70 LYS H 2.500 . 3.300 2.492 2.458 2.535 . 0 0 "[ . 1 .]" 1
414 1 70 LYS H 1 70 LYS HB3 2.300 . 3.000 2.706 2.489 3.034 0.034 1 0 "[ . 1 .]" 1
415 1 68 ALA MB 1 70 LYS H 3.000 . 6.000 4.333 4.277 4.391 . 0 0 "[ . 1 .]" 1
416 1 88 LEU HA 1 90 ALA H 3.800 . 5.600 4.339 4.158 4.570 . 0 0 "[ . 1 .]" 1
417 1 70 LYS H 1 71 ASP HB3 4.800 . 6.000 5.173 4.933 5.419 . 0 0 "[ . 1 .]" 1
418 1 69 CYS HA 1 70 LYS H 3.200 . 4.400 3.389 3.335 3.440 . 0 0 "[ . 1 .]" 1
419 1 69 CYS HB3 1 70 LYS H 4.000 . 6.000 4.208 4.167 4.252 . 0 0 "[ . 1 .]" 1
420 1 69 CYS HB2 1 70 LYS H 3.300 . 4.700 3.348 3.236 3.452 . 0 0 "[ . 1 .]" 1
421 1 70 LYS H 1 70 LYS HA 2.500 . 3.300 2.829 2.807 2.866 . 0 0 "[ . 1 .]" 1
422 1 70 LYS H 1 70 LYS HB2 2.300 . 2.900 2.383 2.076 2.597 . 0 0 "[ . 1 .]" 1
423 1 70 LYS H 1 70 LYS QG 3.700 . 5.400 3.991 3.645 4.102 . 0 0 "[ . 1 .]" 1
424 1 70 LYS H 1 71 ASP H 2.700 . 3.600 2.592 2.466 2.744 . 0 0 "[ . 1 .]" 1
425 1 71 ASP H 1 72 PRO HD2 4.500 . 6.000 4.650 4.499 4.827 . 0 0 "[ . 1 .]" 1
426 1 70 LYS HA 1 71 ASP H 3.300 . 4.600 3.515 3.478 3.549 . 0 0 "[ . 1 .]" 1
427 1 70 LYS QB 1 71 ASP H 2.600 . 3.400 2.711 2.569 2.835 . 0 0 "[ . 1 .]" 1
428 1 70 LYS HG3 1 71 ASP H 3.800 . 5.600 4.558 3.736 5.222 . 0 0 "[ . 1 .]" 1
429 1 71 ASP H 1 71 ASP HA 3.000 . 4.100 2.944 2.935 2.949 . 0 0 "[ . 1 .]" 1
430 1 71 ASP H 1 71 ASP HB3 2.600 . 3.400 2.707 2.568 2.777 . 0 0 "[ . 1 .]" 1
431 1 71 ASP H 1 71 ASP HB2 2.700 . 3.600 2.843 2.709 2.996 . 0 0 "[ . 1 .]" 1
432 1 71 ASP HA 1 73 ASN H 3.800 . 5.600 3.598 3.439 3.721 . 0 0 "[ . 1 .]" 1
433 1 72 PRO HD3 1 73 ASN H 3.600 . 5.200 4.098 3.939 4.214 . 0 0 "[ . 1 .]" 1
434 1 72 PRO HD2 1 73 ASN H 2.900 . 4.000 3.030 2.796 3.246 . 0 0 "[ . 1 .]" 1
435 1 72 PRO QG 1 73 ASN H 2.700 . 3.600 3.188 2.897 3.466 . 0 0 "[ . 1 .]" 1
436 1 73 ASN H 1 73 ASN HA 2.800 . 3.800 2.944 2.934 2.958 . 0 0 "[ . 1 .]" 1
437 1 73 ASN H 1 73 ASN HB3 3.100 . 4.300 3.777 3.717 3.821 . 0 0 "[ . 1 .]" 1
438 1 73 ASN H 1 73 ASN HB2 2.800 . 3.800 2.649 2.554 2.744 . 0 0 "[ . 1 .]" 1
439 1 73 ASN H 1 74 PRO HD3 2.700 . 3.600 2.739 2.554 2.891 . 0 0 "[ . 1 .]" 1
440 1 73 ASN H 1 74 PRO HD2 4.200 . 6.000 4.077 3.743 4.294 . 0 0 "[ . 1 .]" 1
441 1 73 ASN HA 1 73 ASN HD21 2.400 . 3.100 1.808 1.669 2.226 0.031 7 0 "[ . 1 .]" 1
442 1 73 ASN HA 1 73 ASN HD22 4.400 . 6.000 3.390 3.283 3.552 . 0 0 "[ . 1 .]" 1
443 1 73 ASN HB3 1 73 ASN HD21 3.300 . 4.700 2.983 2.879 3.466 . 0 0 "[ . 1 .]" 1
444 1 73 ASN HB2 1 73 ASN HD21 3.200 . 4.500 3.448 3.045 3.523 . 0 0 "[ . 1 .]" 1
445 1 73 ASN HB2 1 73 ASN HD22 3.900 . 5.800 4.037 3.841 4.077 . 0 0 "[ . 1 .]" 1
446 1 73 ASN HD21 1 74 PRO HD2 4.600 . 6.000 4.146 3.600 4.697 . 0 0 "[ . 1 .]" 1
447 1 73 ASN HD22 1 82 ASN HA 3.500 . 5.100 3.378 2.827 4.301 . 0 0 "[ . 1 .]" 1
448 1 74 PRO HB2 1 75 ILE H 3.100 . 4.300 3.434 3.151 3.662 . 0 0 "[ . 1 .]" 1
449 1 74 PRO HA 1 75 ILE H 2.200 . 2.800 2.212 2.165 2.234 . 0 0 "[ . 1 .]" 1
450 1 74 PRO HB3 1 75 ILE H 4.000 . 6.000 3.605 3.399 3.895 . 0 0 "[ . 1 .]" 1
451 1 75 ILE H 1 75 ILE HA 2.700 . 3.600 2.889 2.880 2.896 . 0 0 "[ . 1 .]" 1
452 1 75 ILE H 1 75 ILE HB 2.300 . 3.000 2.535 2.463 2.603 . 0 0 "[ . 1 .]" 1
453 1 75 ILE H 1 75 ILE MD 4.000 . 6.000 3.336 3.176 3.494 . 0 0 "[ . 1 .]" 1
454 1 76 ILE H 1 79 ARG HB3 3.800 . 5.600 4.170 3.829 4.415 . 0 0 "[ . 1 .]" 1
455 1 75 ILE H 1 76 ILE H 4.800 . 6.000 4.367 4.332 4.415 . 0 0 "[ . 1 .]" 1
456 1 75 ILE HA 1 76 ILE H 2.100 . 2.600 2.135 2.116 2.158 . 0 0 "[ . 1 .]" 1
457 1 76 ILE H 1 76 ILE HB 2.600 . 3.500 2.684 2.634 2.725 . 0 0 "[ . 1 .]" 1
458 1 76 ILE H 1 76 ILE MD 4.700 . 6.000 4.055 3.984 4.128 . 0 0 "[ . 1 .]" 1
459 1 76 ILE H 1 79 ARG H 3.000 . 4.100 3.105 2.973 3.223 . 0 0 "[ . 1 .]" 1
460 1 76 ILE MD 1 77 ASP H 3.200 . 6.000 5.209 5.063 5.273 . 0 0 "[ . 1 .]" 1
461 1 76 ILE H 1 77 ASP H 4.200 . 6.000 4.235 4.186 4.352 . 0 0 "[ . 1 .]" 1
462 1 26 THR MG 1 77 ASP H 4.000 . 6.000 3.561 3.075 4.220 . 0 0 "[ . 1 .]" 1
463 1 76 ILE HA 1 77 ASP H 2.100 . 2.700 2.126 2.105 2.158 . 0 0 "[ . 1 .]" 1
464 1 77 ASP H 1 77 ASP HA 2.200 . 2.800 2.276 2.259 2.292 . 0 0 "[ . 1 .]" 1
465 1 77 ASP H 1 77 ASP HB3 3.900 . 5.800 3.736 3.577 4.110 . 0 0 "[ . 1 .]" 1
466 1 77 ASP H 1 77 ASP HB2 3.700 . 5.400 3.124 3.035 3.469 . 0 0 "[ . 1 .]" 1
467 1 77 ASP H 1 78 GLY H 2.900 . 3.900 2.641 2.569 2.772 . 0 0 "[ . 1 .]" 1
468 1 77 ASP H 1 78 GLY HA3 4.800 . 6.000 5.273 5.220 5.365 . 0 0 "[ . 1 .]" 1
469 1 75 ILE MD 1 78 GLY H 4.500 . 6.000 5.315 5.002 5.717 . 0 0 "[ . 1 .]" 1
470 1 76 ILE H 1 78 GLY H 3.800 . 5.600 4.202 4.085 4.344 . 0 0 "[ . 1 .]" 1
471 1 76 ILE HA 1 78 GLY H 4.100 . 6.000 3.764 3.626 3.984 . 0 0 "[ . 1 .]" 1
472 1 77 ASP HA 1 78 GLY H 2.600 . 3.500 2.810 2.704 2.872 . 0 0 "[ . 1 .]" 1
473 1 78 GLY H 1 78 GLY HA3 2.700 . 3.600 2.861 2.846 2.883 . 0 0 "[ . 1 .]" 1
474 1 78 GLY H 1 78 GLY HA2 2.400 . 3.100 2.304 2.295 2.316 . 0 0 "[ . 1 .]" 1
475 1 78 GLY H 1 79 ARG H 2.800 . 3.800 2.632 2.576 2.674 . 0 0 "[ . 1 .]" 1
476 1 19 PRO HG2 1 79 ARG H 4.300 . 6.000 5.000 4.664 5.624 . 0 0 "[ . 1 .]" 1
477 1 78 GLY HA3 1 79 ARG H 3.500 . 5.000 3.361 3.296 3.413 . 0 0 "[ . 1 .]" 1
478 1 78 GLY HA2 1 79 ARG H 3.200 . 4.500 3.205 3.138 3.291 . 0 0 "[ . 1 .]" 1
479 1 79 ARG H 1 79 ARG HB2 2.800 . 3.800 3.168 2.958 3.384 . 0 0 "[ . 1 .]" 1
480 1 79 ARG H 1 79 ARG HB3 3.100 . 4.300 2.624 2.429 2.902 . 0 0 "[ . 1 .]" 1
481 1 79 ARG H 1 81 ALA MB 4.200 . 6.000 5.374 5.197 5.513 . 0 0 "[ . 1 .]" 1
482 1 79 ARG HB3 1 79 ARG HE 5.200 . 6.000 4.492 4.233 4.652 . 0 0 "[ . 1 .]" 1
483 1 79 ARG HE 1 79 ARG HG2 3.800 . 5.600 2.538 2.288 2.783 . 0 0 "[ . 1 .]" 1
484 1 79 ARG HG3 1 80 LYS H 3.300 . 4.700 2.706 2.318 3.019 . 0 0 "[ . 1 .]" 1
485 1 76 ILE H 1 80 LYS H 4.000 . 6.000 4.775 4.610 4.901 . 0 0 "[ . 1 .]" 1
486 1 79 ARG HA 1 80 LYS H 2.800 . 3.700 2.208 2.182 2.255 . 0 0 "[ . 1 .]" 1
487 1 80 LYS H 1 80 LYS QB 2.900 . 4.000 2.243 2.211 2.278 . 0 0 "[ . 1 .]" 1
488 1 80 LYS QB 1 81 ALA H 3.500 . 5.000 2.820 2.686 3.087 . 0 0 "[ . 1 .]" 1
489 1 80 LYS HA 1 81 ALA H 2.300 . 2.900 2.133 2.086 2.167 . 0 0 "[ . 1 .]" 1
490 1 81 ALA H 1 81 ALA MB 2.600 . 3.500 2.366 2.339 2.403 . 0 0 "[ . 1 .]" 1
491 1 16 GLY H 1 82 ASN H 2.800 . 3.800 2.966 2.562 3.210 . 0 0 "[ . 1 .]" 1
492 1 81 ALA HA 1 82 ASN H 2.400 . 3.100 2.348 2.312 2.402 . 0 0 "[ . 1 .]" 1
493 1 81 ALA MB 1 82 ASN H 2.500 . 3.300 2.444 2.386 2.510 . 0 0 "[ . 1 .]" 1
494 1 82 ASN H 1 82 ASN HA 3.000 . 4.200 2.950 2.931 2.958 . 0 0 "[ . 1 .]" 1
495 1 82 ASN QB 1 82 ASN HD21 3.000 . 4.200 2.173 2.156 2.208 . 0 0 "[ . 1 .]" 1
496 1 72 PRO HB2 1 83 VAL H 3.500 . 5.000 3.525 3.203 4.012 . 0 0 "[ . 1 .]" 1
497 1 72 PRO HA 1 83 VAL H 3.200 . 4.500 2.768 2.516 3.023 . 0 0 "[ . 1 .]" 1
498 1 73 ASN HA 1 83 VAL H 4.000 . 6.000 3.875 3.602 4.232 . 0 0 "[ . 1 .]" 1
499 1 73 ASN HD21 1 83 VAL H 3.300 . 4.700 3.956 3.538 4.315 . 0 0 "[ . 1 .]" 1
500 1 73 ASN HD22 1 83 VAL H 3.200 . 6.000 4.828 4.190 5.393 . 0 0 "[ . 1 .]" 1
501 1 82 ASN QB 1 83 VAL H 3.700 . 5.400 3.426 3.000 3.842 . 0 0 "[ . 1 .]" 1
502 1 83 VAL H 1 83 VAL HB 2.500 . 3.300 2.607 2.527 2.842 . 0 0 "[ . 1 .]" 1
503 1 83 VAL H 1 84 ASN H 4.200 . 6.000 4.400 4.256 4.501 . 0 0 "[ . 1 .]" 1
504 1 14 PHE QD 1 84 ASN H 4.100 . 6.000 4.138 3.398 4.570 . 0 0 "[ . 1 .]" 1
505 1 14 PHE H 1 84 ASN H 3.100 . 4.300 3.459 3.276 3.557 . 0 0 "[ . 1 .]" 1
506 1 15 VAL HA 1 84 ASN H 3.900 . 5.800 3.898 3.761 4.075 . 0 0 "[ . 1 .]" 1
507 1 83 VAL HB 1 84 ASN H 4.000 . 6.000 4.135 3.951 4.245 . 0 0 "[ . 1 .]" 1
508 1 84 ASN H 1 84 ASN HA 2.900 . 4.000 2.886 2.857 2.903 . 0 0 "[ . 1 .]" 1
509 1 84 ASN H 1 84 ASN HB3 3.700 . 5.400 3.457 3.401 3.583 . 0 0 "[ . 1 .]" 1
510 1 84 ASN H 1 84 ASN HB2 3.500 . 5.100 3.952 3.914 4.021 . 0 0 "[ . 1 .]" 1
511 1 84 ASN HA 1 84 ASN HD21 4.500 . 6.000 3.995 3.564 4.097 . 0 0 "[ . 1 .]" 1
512 1 84 ASN HB3 1 84 ASN HD21 3.800 . 5.600 3.487 3.467 3.534 . 0 0 "[ . 1 .]" 1
513 1 84 ASN HB2 1 84 ASN HD21 2.500 . 3.300 2.352 2.236 2.961 . 0 0 "[ . 1 .]" 1
514 1 84 ASN HD21 1 86 ALA HA 3.700 . 5.500 3.454 3.308 3.603 . 0 0 "[ . 1 .]" 1
515 1 84 ASN HD21 1 88 LEU HB3 4.400 . 6.000 4.155 3.736 5.899 . 0 0 "[ . 1 .]" 1
516 1 84 ASN HD21 1 88 LEU MD1 3.500 . 5.100 3.446 2.810 4.839 . 0 0 "[ . 1 .]" 1
517 1 84 ASN HA 1 84 ASN HD22 5.400 . 6.000 5.098 4.914 5.139 . 0 0 "[ . 1 .]" 1
518 1 84 ASN HB2 1 84 ASN HD22 3.800 . 5.600 3.533 3.480 3.794 . 0 0 "[ . 1 .]" 1
519 1 84 ASN HD22 1 86 ALA HA 3.800 . 5.600 3.414 3.029 3.802 . 0 0 "[ . 1 .]" 1
520 1 84 ASN HD22 1 88 LEU MD1 5.100 . 6.000 4.774 4.250 5.546 . 0 0 "[ . 1 .]" 1
521 1 85 LEU H 1 85 LEU MD1 4.000 . 6.000 3.622 3.572 3.676 . 0 0 "[ . 1 .]" 1
522 1 66 GLU QG 1 85 LEU H 4.500 . 6.000 5.822 5.515 5.887 . 0 0 "[ . 1 .]" 1
523 1 84 ASN H 1 85 LEU H 4.000 . 6.000 4.328 4.225 4.364 . 0 0 "[ . 1 .]" 1
524 1 84 ASN HA 1 85 LEU H 2.300 . 2.900 2.328 2.254 2.378 . 0 0 "[ . 1 .]" 1
525 1 84 ASN HB3 1 85 LEU H 3.700 . 5.400 3.959 3.797 4.139 . 0 0 "[ . 1 .]" 1
526 1 84 ASN HB2 1 85 LEU H 2.700 . 3.600 2.775 2.631 2.993 . 0 0 "[ . 1 .]" 1
527 1 84 ASN HD21 1 85 LEU H 4.000 . 6.000 3.669 3.544 3.898 . 0 0 "[ . 1 .]" 1
528 1 85 LEU H 1 85 LEU HA 2.900 . 3.900 2.769 2.761 2.782 . 0 0 "[ . 1 .]" 1
529 1 85 LEU H 1 85 LEU QB 2.500 . 3.300 2.463 2.395 2.511 . 0 0 "[ . 1 .]" 1
530 1 85 LEU H 1 85 LEU HG 2.300 . 3.000 2.258 2.168 2.371 . 0 0 "[ . 1 .]" 1
531 1 85 LEU HA 1 86 ALA H 2.400 . 3.100 2.180 2.163 2.209 . 0 0 "[ . 1 .]" 1
532 1 85 LEU HB3 1 86 ALA H 3.200 . 4.500 3.148 3.060 3.231 . 0 0 "[ . 1 .]" 1
533 1 85 LEU MD2 1 86 ALA H 4.300 . 6.000 3.435 3.299 3.598 . 0 0 "[ . 1 .]" 1
534 1 86 ALA H 1 86 ALA HA 2.800 . 3.800 2.797 2.767 2.819 . 0 0 "[ . 1 .]" 1
535 1 86 ALA H 1 86 ALA MB 2.600 . 3.400 2.216 2.202 2.230 . 0 0 "[ . 1 .]" 1
536 1 85 LEU HB3 1 87 TYR H 3.400 . 4.900 3.231 3.129 3.329 . 0 0 "[ . 1 .]" 1
537 1 86 ALA H 1 87 TYR H 2.900 . 4.000 2.768 2.703 2.838 . 0 0 "[ . 1 .]" 1
538 1 86 ALA MB 1 87 TYR H 2.800 . 3.800 2.792 2.720 2.871 . 0 0 "[ . 1 .]" 1
539 1 87 TYR H 1 87 TYR HA 2.800 . 3.800 2.838 2.817 2.852 . 0 0 "[ . 1 .]" 1
540 1 87 TYR H 1 87 TYR HB3 2.500 . 3.300 2.385 2.321 2.472 . 0 0 "[ . 1 .]" 1
541 1 87 TYR H 1 87 TYR HB2 4.000 . 6.000 3.597 3.573 3.620 . 0 0 "[ . 1 .]" 1
542 1 87 TYR H 1 87 TYR QD 2.600 . 3.400 1.955 1.794 2.211 0.006 8 0 "[ . 1 .]" 1
543 1 87 TYR H 1 87 TYR QE 4.200 . 6.000 4.290 4.144 4.504 . 0 0 "[ . 1 .]" 1
544 1 88 LEU H 1 88 LEU MD1 4.100 . 6.000 3.731 3.664 3.794 . 0 0 "[ . 1 .]" 1
545 1 88 LEU H 1 88 LEU HG 2.400 . 3.100 2.444 2.326 2.608 . 0 0 "[ . 1 .]" 1
546 1 88 LEU H 1 88 LEU MD2 3.800 . 5.600 3.337 3.197 3.478 . 0 0 "[ . 1 .]" 1
547 1 87 TYR H 1 88 LEU H 3.100 . 4.300 2.586 2.536 2.625 . 0 0 "[ . 1 .]" 1
548 1 87 TYR HA 1 88 LEU H 3.500 . 5.000 3.396 3.359 3.421 . 0 0 "[ . 1 .]" 1
549 1 88 LEU H 1 88 LEU HA 2.900 . 4.000 2.844 2.804 2.873 . 0 0 "[ . 1 .]" 1
550 1 88 LEU H 1 88 LEU HB3 3.400 . 4.800 3.583 3.571 3.601 . 0 0 "[ . 1 .]" 1
551 1 88 LEU H 1 88 LEU HB2 2.800 . 3.800 2.406 2.346 2.485 . 0 0 "[ . 1 .]" 1
552 1 88 LEU HG 1 89 GLY H 4.500 . 6.000 4.768 4.592 4.858 . 0 0 "[ . 1 .]" 1
553 1 88 LEU MD2 1 89 GLY H 3.200 . 4.500 4.630 4.587 4.670 0.170 8 0 "[ . 1 .]" 1
554 1 84 ASN HD22 1 89 GLY H 4.100 . 6.000 4.342 3.799 5.185 . 0 0 "[ . 1 .]" 1
555 1 89 GLY H 2 5 DT H3 4.100 . 6.000 3.520 3.227 3.718 . 0 0 "[ . 1 .]" 1
556 1 88 LEU H 1 89 GLY H 2.800 . 3.800 2.670 2.567 2.771 . 0 0 "[ . 1 .]" 1
557 1 88 LEU HA 1 89 GLY H 3.300 . 4.700 3.357 3.314 3.443 . 0 0 "[ . 1 .]" 1
558 1 88 LEU HB3 1 89 GLY H 3.700 . 5.400 4.156 4.045 4.201 . 0 0 "[ . 1 .]" 1
559 1 89 GLY H 1 89 GLY HA3 2.700 . 3.600 2.638 2.584 2.683 . 0 0 "[ . 1 .]" 1
560 1 89 GLY H 1 89 GLY HA2 2.900 . 4.000 2.918 2.896 2.940 . 0 0 "[ . 1 .]" 1
561 1 89 GLY HA3 1 90 ALA H 3.500 . 5.000 3.396 3.372 3.433 . 0 0 "[ . 1 .]" 1
562 1 89 GLY HA2 1 90 ALA H 3.300 . 4.600 3.115 3.069 3.152 . 0 0 "[ . 1 .]" 1
563 1 90 ALA H 1 90 ALA HA 3.000 . 4.200 2.870 2.831 2.900 . 0 0 "[ . 1 .]" 1
564 1 90 ALA H 1 90 ALA MB 2.500 . 3.300 2.263 2.239 2.297 . 0 0 "[ . 1 .]" 1
565 1 91 LYS H 1 91 LYS HB2 2.400 . 3.100 2.341 1.853 2.542 . 0 0 "[ . 1 .]" 1
566 1 91 LYS H 1 91 LYS HA 2.600 . 3.500 2.868 2.814 2.895 . 0 0 "[ . 1 .]" 1
567 1 90 ALA HA 1 91 LYS H 2.100 . 2.700 2.189 2.131 2.271 . 0 0 "[ . 1 .]" 1
568 1 90 ALA MB 1 91 LYS H 2.900 . 4.000 2.915 2.699 3.165 . 0 0 "[ . 1 .]" 1
569 1 91 LYS H 1 91 LYS QG 2.900 . 3.900 2.557 2.192 3.567 . 0 0 "[ . 1 .]" 1
570 1 92 PRO HB3 1 93 ARG H 4.300 . 6.000 3.995 2.416 4.667 . 0 0 "[ . 1 .]" 1
571 1 92 PRO HA 1 93 ARG H 2.400 . 3.100 2.698 2.124 3.130 0.030 9 0 "[ . 1 .]" 1
572 1 93 ARG HA 1 94 THR H 3.000 . 4.100 2.711 2.138 3.555 . 0 0 "[ . 1 .]" 1
573 1 96 VAL H 1 96 VAL HB 3.900 . 5.800 2.982 2.508 3.714 . 0 0 "[ . 1 .]" 1
574 1 96 VAL HA 1 97 GLN H 2.800 . 3.800 2.695 2.122 3.569 . 0 0 "[ . 1 .]" 1
575 1 43 ILE MD 1 56 PHE HB2 3.700 . 5.400 2.643 2.394 2.940 . 0 0 "[ . 1 .]" 1
576 1 43 ILE MD 2 6 DG H5' 3.800 . 5.600 3.348 2.994 3.570 . 0 0 "[ . 1 .]" 1
577 1 43 ILE MD 1 56 PHE HB3 5.400 . 6.000 4.168 3.953 4.418 . 0 0 "[ . 1 .]" 1
578 1 43 ILE MD 2 6 DG H2' 4.000 . 6.000 4.580 4.521 4.661 . 0 0 "[ . 1 .]" 1
579 1 43 ILE MD 1 56 PHE QD 2.600 . 3.400 1.763 1.706 1.878 0.094 13 0 "[ . 1 .]" 1
580 1 43 ILE MD 1 55 GLY HA2 4.100 . 6.000 3.166 2.985 3.417 . 0 0 "[ . 1 .]" 1
581 1 43 ILE HA 1 43 ILE MD 2.000 . 2.500 1.800 1.667 1.879 . 0 0 "[ . 1 .]" 1
582 1 43 ILE MD 1 55 GLY HA3 5.100 . 6.000 4.299 4.074 4.558 . 0 0 "[ . 1 .]" 1
583 1 43 ILE MD 2 6 DG H4' 2.800 . 3.800 2.830 2.617 3.098 . 0 0 "[ . 1 .]" 1
584 1 43 ILE MD 2 6 DG H2'' 4.200 . 6.000 4.636 4.507 4.785 . 0 0 "[ . 1 .]" 1
585 1 43 ILE MD 2 6 DG H1' 2.300 . 3.000 2.804 2.657 3.030 0.030 4 0 "[ . 1 .]" 1
586 1 42 VAL HA 1 43 ILE MD 3.800 . 5.600 3.980 3.871 4.078 . 0 0 "[ . 1 .]" 1
587 1 43 ILE MD 2 6 DG H5'' 4.300 . 6.000 4.325 4.117 4.581 . 0 0 "[ . 1 .]" 1
588 1 75 ILE MD 1 80 LYS HA 2.200 . 2.800 2.112 2.005 2.214 . 0 0 "[ . 1 .]" 1
589 1 75 ILE MD 1 80 LYS HB2 2.400 . 3.100 2.358 2.043 2.725 . 0 0 "[ . 1 .]" 1
590 1 75 ILE HB 1 75 ILE MD 3.100 . 4.300 3.237 3.231 3.241 . 0 0 "[ . 1 .]" 1
591 1 75 ILE MD 1 80 LYS HB3 3.600 . 5.300 3.693 3.424 4.000 . 0 0 "[ . 1 .]" 1
592 1 75 ILE MD 1 79 ARG HG3 3.600 . 6.000 5.305 5.093 5.787 . 0 0 "[ . 1 .]" 1
593 1 74 PRO HB3 1 76 ILE MD 4.600 . 6.000 4.176 3.721 4.498 . 0 0 "[ . 1 .]" 1
594 1 30 TYR HB2 1 76 ILE MD 4.000 . 6.000 4.161 3.786 4.651 . 0 0 "[ . 1 .]" 1
595 1 74 PRO HD2 1 76 ILE MD 4.500 . 6.000 4.017 3.605 4.504 . 0 0 "[ . 1 .]" 1
596 1 30 TYR QD 1 76 ILE MD 3.600 . 5.200 3.202 2.878 3.420 . 0 0 "[ . 1 .]" 1
597 1 31 PHE HZ 1 76 ILE MD 3.400 . 4.800 2.950 2.501 3.322 . 0 0 "[ . 1 .]" 1
598 1 74 PRO HD3 1 76 ILE MD 4.800 . 6.000 5.059 4.794 5.509 . 0 0 "[ . 1 .]" 1
599 1 31 PHE QE 1 76 ILE MD 2.800 . 3.800 2.501 2.195 2.959 . 0 0 "[ . 1 .]" 1
600 1 18 LEU MD2 1 76 ILE MD 2.200 . 2.800 2.267 2.016 2.547 . 0 0 "[ . 1 .]" 1
601 1 76 ILE HB 1 76 ILE MD 2.200 . 2.800 2.427 2.410 2.450 . 0 0 "[ . 1 .]" 1
602 1 74 PRO QG 1 76 ILE MD 3.200 . 4.500 2.916 2.406 3.512 . 0 0 "[ . 1 .]" 1
603 1 76 ILE HA 1 76 ILE MD 3.600 . 5.200 3.849 3.826 3.874 . 0 0 "[ . 1 .]" 1
604 1 30 TYR QE 1 76 ILE MD 3.200 . 4.500 3.579 3.103 3.950 . 0 0 "[ . 1 .]" 1
605 1 30 TYR HB3 1 76 ILE MD 3.300 . 4.600 3.573 3.367 3.951 . 0 0 "[ . 1 .]" 1
606 1 74 PRO HB2 1 76 ILE MD 2.900 . 3.900 2.948 2.534 3.409 . 0 0 "[ . 1 .]" 1
607 1 28 HIS HD2 1 37 ILE MD 3.500 . 5.000 3.591 2.477 4.318 . 0 0 "[ . 1 .]" 1
608 1 31 PHE HA 1 37 ILE MD 3.600 . 5.200 3.888 3.762 4.103 . 0 0 "[ . 1 .]" 1
609 1 28 HIS QB 1 37 ILE MD 3.800 . 5.600 3.837 3.501 4.165 . 0 0 "[ . 1 .]" 1
610 1 37 ILE HA 1 37 ILE MD 3.400 . 4.800 3.768 3.733 3.790 . 0 0 "[ . 1 .]" 1
611 1 32 GLU HA 1 37 ILE MD 2.400 . 3.100 2.688 2.436 2.984 . 0 0 "[ . 1 .]" 1
612 1 32 GLU HG2 1 37 ILE MD 3.800 . 5.600 3.388 1.884 4.032 0.116 10 0 "[ . 1 .]" 1
613 1 30 TYR HB3 1 37 ILE MD 2.200 . 6.000 5.311 5.102 5.519 . 0 0 "[ . 1 .]" 1
614 1 37 ILE MD 1 59 MET ME 3.200 . 4.400 3.438 2.895 3.952 . 0 0 "[ . 1 .]" 1
615 1 37 ILE HB 1 37 ILE MD 2.300 . 2.900 2.382 2.311 2.518 . 0 0 "[ . 1 .]" 1
616 1 33 GLN QG 1 37 ILE MD 2.200 . 6.000 5.591 5.346 5.770 . 0 0 "[ . 1 .]" 1
617 1 32 GLU HG3 1 37 ILE MD 3.300 . 4.700 4.181 2.641 4.626 . 0 0 "[ . 1 .]" 1
618 1 28 HIS HA 1 37 ILE MD 2.300 . 2.900 2.272 1.984 2.633 . 0 0 "[ . 1 .]" 1
619 1 32 GLU HB2 1 37 ILE MD 3.800 . 5.600 3.309 3.112 3.472 . 0 0 "[ . 1 .]" 1
620 1 32 GLU HB3 1 37 ILE MD 2.500 . 3.300 2.441 1.830 4.150 0.850 14 3 "[ -. * +.]" 1
621 1 37 ILE MD 1 40 ALA MB 2.500 . 3.300 2.138 1.811 2.298 . 0 0 "[ . 1 .]" 1
622 1 13 ILE MD 1 59 MET ME 3.300 . 4.700 3.621 3.479 3.774 . 0 0 "[ . 1 .]" 1
623 1 13 ILE MD 1 31 PHE QE 3.400 . 4.800 3.104 2.800 3.729 . 0 0 "[ . 1 .]" 1
624 1 13 ILE MD 1 68 ALA MB 2.200 . 2.800 2.182 1.991 2.330 . 0 0 "[ . 1 .]" 1
625 1 13 ILE MD 1 65 ALA HA 2.100 . 2.700 1.786 1.661 2.061 . 0 0 "[ . 1 .]" 1
626 1 13 ILE MD 1 31 PHE HB2 4.000 . 6.000 4.942 4.607 5.218 . 0 0 "[ . 1 .]" 1
627 1 13 ILE MD 1 59 MET HG3 3.100 . 4.300 2.328 2.257 2.418 . 0 0 "[ . 1 .]" 1
628 1 13 ILE MD 1 65 ALA MB 2.400 . 3.100 2.219 2.075 2.452 . 0 0 "[ . 1 .]" 1
629 1 13 ILE HB 1 13 ILE MD 2.500 . 3.300 2.439 2.416 2.463 . 0 0 "[ . 1 .]" 1
630 1 13 ILE HA 1 13 ILE MD 3.900 . 5.800 3.821 3.801 3.849 . 0 0 "[ . 1 .]" 1
631 1 13 ILE MD 1 85 LEU HA 4.200 . 6.000 4.666 4.516 4.843 . 0 0 "[ . 1 .]" 1
632 1 9 MET ME 1 10 PHE HZ 4.100 . 6.000 3.538 2.642 5.456 . 0 0 "[ . 1 .]" 1
633 1 9 MET ME 1 87 TYR HB3 3.700 . 5.400 4.755 4.210 5.438 0.038 6 0 "[ . 1 .]" 1
634 1 9 MET ME 1 87 TYR QD 2.900 . 3.900 2.777 2.105 3.475 . 0 0 "[ . 1 .]" 1
635 1 9 MET ME 1 10 PHE QD 3.200 . 4.500 3.816 2.881 4.561 0.061 3 0 "[ . 1 .]" 1
636 1 9 MET ME 1 87 TYR HB2 3.600 . 5.200 4.220 3.569 5.006 . 0 0 "[ . 1 .]" 1
637 1 9 MET HA 1 9 MET ME 4.000 . 6.000 4.241 3.786 4.626 . 0 0 "[ . 1 .]" 1
638 1 9 MET ME 1 87 TYR QE 2.800 . 3.800 2.666 2.244 3.930 0.130 3 0 "[ . 1 .]" 1
639 1 9 MET ME 1 10 PHE QE 3.400 . 4.800 2.754 2.187 4.054 . 0 0 "[ . 1 .]" 1
640 1 36 ASP HA 1 59 MET ME 3.100 . 4.300 4.237 4.083 4.388 0.088 15 0 "[ . 1 .]" 1
641 1 59 MET ME 1 65 ALA HA 2.900 . 4.000 3.141 2.908 3.746 . 0 0 "[ . 1 .]" 1
642 1 32 GLU HA 1 59 MET ME 3.100 . 4.300 3.025 2.608 3.495 . 0 0 "[ . 1 .]" 1
643 1 59 MET ME 1 64 SER HA 3.300 . 4.600 3.784 3.623 3.998 . 0 0 "[ . 1 .]" 1
644 1 59 MET ME 1 64 SER HB2 2.600 . 3.400 2.331 1.736 2.616 0.064 4 0 "[ . 1 .]" 1
645 1 31 PHE HB3 1 59 MET ME 2.700 . 3.600 3.399 2.783 3.644 0.044 15 0 "[ . 1 .]" 1
646 1 59 MET ME 1 59 MET HG3 2.400 . 3.100 2.529 2.436 3.348 0.248 11 0 "[ . 1 .]" 1
647 1 31 PHE QE 1 59 MET ME 4.000 . 6.000 5.981 5.757 6.054 0.054 6 0 "[ . 1 .]" 1
648 1 35 GLY HA3 1 59 MET ME 2.800 . 3.800 3.420 2.748 3.777 . 0 0 "[ . 1 .]" 1
649 1 34 PHE QB 1 59 MET ME 3.300 . 3.400 2.414 2.152 2.687 . 0 0 "[ . 1 .]" 1
650 1 59 MET ME 1 64 SER HB3 2.300 . 3.000 2.247 2.074 3.046 0.046 4 0 "[ . 1 .]" 1
651 1 59 MET ME 1 68 ALA MB 2.700 . 3.600 3.595 3.469 3.687 0.087 11 0 "[ . 1 .]" 1
652 1 34 PHE QD 1 59 MET ME 3.100 . 4.300 3.891 3.635 4.225 . 0 0 "[ . 1 .]" 1
653 1 59 MET HA 1 59 MET ME 2.900 . 4.000 3.104 2.996 3.206 . 0 0 "[ . 1 .]" 1
654 1 12 LYS HG3 1 86 ALA MB 3.500 . 5.000 3.426 3.340 3.732 . 0 0 "[ . 1 .]" 1
655 1 12 LYS HB3 1 86 ALA MB 2.600 . 3.400 2.833 2.397 3.056 . 0 0 "[ . 1 .]" 1
656 1 86 ALA MB 1 87 TYR HB3 4.000 . 6.000 4.080 3.968 4.196 . 0 0 "[ . 1 .]" 1
657 1 13 ILE HA 1 86 ALA MB 3.300 . 4.600 3.286 3.162 3.434 . 0 0 "[ . 1 .]" 1
658 1 14 PHE HA 1 86 ALA MB 3.400 . 4.900 3.348 3.099 3.526 . 0 0 "[ . 1 .]" 1
659 1 86 ALA MB 1 87 TYR HA 3.400 . 4.900 3.802 3.752 3.873 . 0 0 "[ . 1 .]" 1
660 1 85 LEU HA 1 86 ALA MB 4.300 . 6.000 3.940 3.901 3.973 . 0 0 "[ . 1 .]" 1
661 1 14 PHE HB3 1 86 ALA MB 3.300 . 4.700 3.279 3.080 3.458 . 0 0 "[ . 1 .]" 1
662 1 86 ALA MB 2 5 DT H1' 3.400 . 4.900 4.454 4.194 4.831 . 0 0 "[ . 1 .]" 1
663 1 12 LYS QE 1 86 ALA MB 3.200 . 3.600 2.784 2.200 3.385 . 0 0 "[ . 1 .]" 1
664 1 56 PHE QD 1 86 ALA MB 3.100 . 4.300 3.059 2.911 3.314 . 0 0 "[ . 1 .]" 1
665 1 56 PHE QE 1 86 ALA MB 2.900 . 4.000 2.226 1.978 2.498 . 0 0 "[ . 1 .]" 1
666 1 86 ALA HA 1 86 ALA MB 2.100 . 2.600 2.121 2.114 2.126 . 0 0 "[ . 1 .]" 1
667 1 14 PHE QD 1 86 ALA MB 4.000 . 6.000 3.778 3.536 3.968 . 0 0 "[ . 1 .]" 1
668 1 63 ALA HA 1 63 ALA MB 1.900 . 2.400 2.129 2.126 2.133 . 0 0 "[ . 1 .]" 1
669 1 63 ALA MB 1 64 SER HA 3.500 . 5.000 3.835 3.779 3.898 . 0 0 "[ . 1 .]" 1
670 1 63 ALA MB 1 67 ARG HG2 2.700 . 3.600 3.841 3.353 4.478 0.878 6 6 "[ ***.+* 1 -.]" 1
671 1 59 MET HB2 1 65 ALA MB 2.500 . 3.300 1.875 1.769 1.998 . 0 0 "[ . 1 .]" 1
672 1 65 ALA HA 1 65 ALA MB 2.100 . 2.600 2.130 2.126 2.134 . 0 0 "[ . 1 .]" 1
673 1 11 THR HB 1 65 ALA MB 3.500 . 5.000 4.214 3.891 4.454 . 0 0 "[ . 1 .]" 1
674 1 62 ARG HA 1 65 ALA MB 2.200 . 2.800 2.649 2.439 2.803 0.003 8 0 "[ . 1 .]" 1
675 1 59 MET HB3 1 65 ALA MB 2.700 . 3.600 2.607 2.497 3.161 . 0 0 "[ . 1 .]" 1
676 1 11 THR HA 1 65 ALA MB 2.100 . 2.600 2.576 2.285 2.673 0.073 6 0 "[ . 1 .]" 1
677 1 64 SER HB3 1 65 ALA MB 2.900 . 6.000 4.949 4.853 5.405 . 0 0 "[ . 1 .]" 1
678 1 2 ALA MB 1 92 PRO HD2 3.300 . 6.000 5.700 4.586 6.641 0.641 13 1 "[ . 1 + .]" 1
679 1 90 ALA MB 2 5 DT H2'' 3.400 . 4.800 4.043 3.317 4.490 . 0 0 "[ . 1 .]" 1
680 1 87 TYR HA 1 90 ALA MB 2.300 . 3.000 2.329 1.947 2.611 . 0 0 "[ . 1 .]" 1
681 1 90 ALA MB 2 5 DT H1' 3.700 . 5.400 5.073 4.457 5.446 0.046 9 0 "[ . 1 .]" 1
682 1 90 ALA HA 1 90 ALA MB 2.000 . 2.500 2.128 2.122 2.132 . 0 0 "[ . 1 .]" 1
683 1 87 TYR HB2 1 90 ALA MB 3.900 . 5.800 3.892 3.510 4.264 . 0 0 "[ . 1 .]" 1
684 1 87 TYR HB3 1 90 ALA MB 2.700 . 6.000 4.329 4.023 4.634 . 0 0 "[ . 1 .]" 1
685 1 31 PHE HB3 1 68 ALA MB 3.100 . 4.300 3.868 3.673 4.022 . 0 0 "[ . 1 .]" 1
686 1 68 ALA HA 1 68 ALA MB 2.100 . 2.700 2.127 2.123 2.132 . 0 0 "[ . 1 .]" 1
687 1 65 ALA HA 1 68 ALA MB 2.500 . 3.300 2.895 2.825 2.976 . 0 0 "[ . 1 .]" 1
688 1 31 PHE QD 1 68 ALA MB 2.500 . 3.300 2.172 1.992 2.397 . 0 0 "[ . 1 .]" 1
689 1 34 PHE QD 1 68 ALA MB 2.800 . 3.800 3.200 2.950 3.339 . 0 0 "[ . 1 .]" 1
690 1 34 PHE QB 1 68 ALA MB 3.100 . 3.800 3.087 2.592 3.372 . 0 0 "[ . 1 .]" 1
691 1 31 PHE QE 1 68 ALA MB 2.800 . 3.800 2.314 2.068 2.647 . 0 0 "[ . 1 .]" 1
692 1 34 PHE QE 1 68 ALA MB 3.700 . 5.400 3.466 3.302 3.656 . 0 0 "[ . 1 .]" 1
693 1 28 HIS HD2 1 40 ALA MB 2.700 . 3.600 2.700 2.317 3.246 . 0 0 "[ . 1 .]" 1
694 1 40 ALA HA 1 40 ALA MB 2.200 . 2.800 2.131 2.126 2.135 . 0 0 "[ . 1 .]" 1
695 1 28 HIS HA 1 40 ALA MB 2.300 . 3.000 2.271 2.130 2.487 . 0 0 "[ . 1 .]" 1
696 1 28 HIS QB 1 40 ALA MB 2.200 . 2.800 2.196 1.938 2.368 . 0 0 "[ . 1 .]" 1
697 1 11 THR HB 1 58 THR MG 2.600 . 3.400 2.891 2.626 3.165 . 0 0 "[ . 1 .]" 1
698 1 38 GLU HB2 1 58 THR MG 2.900 . 3.900 2.788 2.417 3.301 . 0 0 "[ . 1 .]" 1
699 1 38 GLU HB3 1 58 THR MG 2.600 . 3.500 3.054 2.592 3.482 . 0 0 "[ . 1 .]" 1
700 1 12 LYS HD2 1 58 THR MG 2.300 . 6.000 4.709 3.955 5.106 . 0 0 "[ . 1 .]" 1
701 1 58 THR MG 1 59 MET HA 3.500 . 5.000 4.323 4.243 4.392 . 0 0 "[ . 1 .]" 1
702 1 12 LYS HA 1 58 THR MG 2.600 . 3.400 3.020 2.622 3.422 0.022 11 0 "[ . 1 .]" 1
703 1 31 PHE QD 1 40 ALA MB 4.200 . 6.000 4.341 4.023 4.568 . 0 0 "[ . 1 .]" 1
704 1 38 GLU QG 1 58 THR MG 2.900 . 4.000 3.211 2.207 4.060 0.060 3 0 "[ . 1 .]" 1
705 1 39 GLU HG3 1 58 THR MG 2.400 . 6.000 6.078 5.447 6.588 0.588 2 2 "[ + .- 1 .]" 1
706 1 12 LYS HB3 1 58 THR MG 2.600 . 6.000 4.704 4.296 5.010 . 0 0 "[ . 1 .]" 1
707 1 12 LYS HG2 1 58 THR MG 2.500 . 6.000 5.254 4.889 5.794 . 0 0 "[ . 1 .]" 1
708 1 12 LYS HD3 1 58 THR MG 2.200 . 6.000 5.712 5.025 6.037 0.037 1 0 "[ . 1 .]" 1
709 1 8 THR HA 1 8 THR MG 2.000 . 2.500 2.216 2.130 2.312 . 0 0 "[ . 1 .]" 1
710 1 58 THR HB 1 58 THR MG 2.100 . 2.700 2.138 2.132 2.141 . 0 0 "[ . 1 .]" 1
711 1 58 THR HA 1 58 THR MG 2.400 . 3.100 2.323 2.275 2.368 . 0 0 "[ . 1 .]" 1
712 1 76 ILE MD 1 81 ALA MB 2.400 . 3.100 2.283 2.120 2.459 . 0 0 "[ . 1 .]" 1
713 1 74 PRO QG 1 81 ALA MB 3.100 . 4.300 3.294 2.418 4.014 . 0 0 "[ . 1 .]" 1
714 1 81 ALA MB 1 82 ASN HA 3.600 . 5.300 4.088 3.990 4.161 . 0 0 "[ . 1 .]" 1
715 1 47 ASN QB 1 48 THR MG 2.600 . 3.400 2.717 2.389 2.904 . 0 0 "[ . 1 .]" 1
716 1 48 THR HA 1 48 THR MG 2.100 . 2.600 2.306 2.274 2.338 . 0 0 "[ . 1 .]" 1
717 1 44 THR MG 1 51 SER HB3 3.700 . 5.400 3.333 2.649 4.015 . 0 0 "[ . 1 .]" 1
718 1 44 THR MG 1 49 GLN QB 3.200 . 4.500 3.799 3.502 4.054 . 0 0 "[ . 1 .]" 1
719 1 42 VAL HB 1 44 THR MG 3.000 . 4.100 3.732 3.583 3.816 . 0 0 "[ . 1 .]" 1
720 1 48 THR HB 1 48 THR MG 1.900 . 2.300 2.134 2.131 2.138 . 0 0 "[ . 1 .]" 1
721 1 45 ASP HB3 1 48 THR MG 3.700 . 5.400 4.177 3.825 4.388 . 0 0 "[ . 1 .]" 1
722 1 17 GLY HA3 1 81 ALA MB 3.200 . 4.500 3.990 3.680 4.304 . 0 0 "[ . 1 .]" 1
723 1 44 THR HB 1 44 THR MG 1.900 . 2.400 2.135 2.133 2.138 . 0 0 "[ . 1 .]" 1
724 1 44 THR MG 1 51 SER HA 2.000 . 2.500 1.759 1.588 1.901 . 0 0 "[ . 1 .]" 1
725 1 44 THR MG 1 49 GLN HA 3.100 . 4.300 3.785 3.580 3.953 . 0 0 "[ . 1 .]" 1
726 1 73 ASN HA 1 81 ALA MB 3.900 . 5.800 4.333 4.115 4.654 . 0 0 "[ . 1 .]" 1
727 1 74 PRO HD2 1 81 ALA MB 3.000 . 4.100 2.785 2.470 3.039 . 0 0 "[ . 1 .]" 1
728 1 94 THR HB 1 94 THR MG 2.200 . 2.800 2.135 2.129 2.144 . 0 0 "[ . 1 .]" 1
729 1 11 THR MG 1 62 ARG QB 3.100 . 4.300 3.132 2.802 3.459 . 0 0 "[ . 1 .]" 1
730 1 11 THR MG 1 65 ALA MB 2.900 . 3.900 3.515 3.337 3.715 . 0 0 "[ . 1 .]" 1
731 1 11 THR HA 1 11 THR MG 2.200 . 2.800 2.270 2.220 2.318 . 0 0 "[ . 1 .]" 1
732 1 11 THR MG 1 62 ARG QB 2.900 . 4.000 3.160 2.814 3.527 . 0 0 "[ . 1 .]" 1
733 1 11 THR MG 1 62 ARG HA 2.300 . 2.900 2.831 2.490 2.975 0.075 15 0 "[ . 1 .]" 1
734 1 10 PHE QB 1 11 THR MG 3.100 . 4.300 3.210 3.012 3.340 . 0 0 "[ . 1 .]" 1
735 1 11 THR HB 1 11 THR MG 2.100 . 2.600 2.137 2.134 2.142 . 0 0 "[ . 1 .]" 1
736 1 11 THR MG 1 59 MET HB3 3.800 . 5.600 4.314 4.125 4.665 . 0 0 "[ . 1 .]" 1
737 1 88 LEU HB2 1 88 LEU MD2 3.000 . 4.100 3.181 3.175 3.186 . 0 0 "[ . 1 .]" 1
738 1 26 THR MG 1 77 ASP HB3 3.200 . 4.500 3.988 3.498 4.528 0.028 13 0 "[ . 1 .]" 1
739 1 87 TYR QD 1 88 LEU MD2 3.300 . 4.700 3.555 3.445 3.615 . 0 0 "[ . 1 .]" 1
740 1 87 TYR QE 1 88 LEU MD2 2.400 . 3.100 2.885 2.793 3.001 . 0 0 "[ . 1 .]" 1
741 1 26 THR HB 1 26 THR MG 2.000 . 2.500 2.136 2.131 2.138 . 0 0 "[ . 1 .]" 1
742 1 18 LEU MD2 1 18 LEU HG 2.300 . 3.000 2.130 2.128 2.133 . 0 0 "[ . 1 .]" 1
743 1 18 LEU HB2 1 18 LEU MD2 2.300 . 3.000 3.190 3.183 3.196 0.196 1 0 "[ . 1 .]" 1
744 1 26 THR MG 1 29 GLU HG2 3.700 . 6.000 4.448 3.295 5.721 . 0 0 "[ . 1 .]" 1
745 1 88 LEU HB3 1 88 LEU MD2 2.300 . 2.900 2.400 2.382 2.434 . 0 0 "[ . 1 .]" 1
746 1 26 THR HA 1 26 THR MG 2.200 . 2.800 2.356 2.301 2.435 . 0 0 "[ . 1 .]" 1
747 1 22 THR HB 1 26 THR MG 4.400 . 6.000 4.926 4.637 5.389 . 0 0 "[ . 1 .]" 1
748 1 26 THR MG 1 77 ASP HB2 2.900 . 4.000 2.590 2.006 4.024 0.024 13 0 "[ . 1 .]" 1
749 1 88 LEU HA 1 88 LEU MD2 2.000 . 2.500 1.842 1.772 1.923 . 0 0 "[ . 1 .]" 1
750 1 22 THR HA 1 22 THR MG 2.200 . 2.800 2.387 2.330 2.469 . 0 0 "[ . 1 .]" 1
751 1 22 THR HA 1 26 THR MG 3.000 . 4.100 3.467 3.037 3.997 . 0 0 "[ . 1 .]" 1
752 1 18 LEU MD2 1 19 PRO HD3 3.400 . 4.800 3.563 3.352 3.778 . 0 0 "[ . 1 .]" 1
753 1 22 THR MG 1 26 THR HB 2.300 . 3.000 2.081 1.799 2.518 . 0 0 "[ . 1 .]" 1
754 1 22 THR MG 1 77 ASP HB3 3.600 . 5.200 4.155 3.448 5.124 . 0 0 "[ . 1 .]" 1
755 1 22 THR HB 1 22 THR MG 2.100 . 2.600 2.137 2.131 2.140 . 0 0 "[ . 1 .]" 1
756 1 18 LEU HA 1 18 LEU MD2 2.200 . 2.800 1.964 1.897 2.004 . 0 0 "[ . 1 .]" 1
757 1 85 LEU MD2 1 87 TYR QE 3.900 . 5.800 3.850 3.430 4.130 . 0 0 "[ . 1 .]" 1
758 1 84 ASN HA 1 85 LEU MD2 3.000 . 6.000 4.681 4.502 4.889 . 0 0 "[ . 1 .]" 1
759 1 18 LEU MD2 1 19 PRO HD2 3.000 . 4.100 2.553 2.444 2.673 . 0 0 "[ . 1 .]" 1
760 1 85 LEU HB3 1 85 LEU MD2 2.300 . 3.000 2.368 2.334 2.405 . 0 0 "[ . 1 .]" 1
761 1 22 THR MG 1 77 ASP HB2 3.300 . 4.600 3.348 2.634 4.192 . 0 0 "[ . 1 .]" 1
762 1 85 LEU HB2 1 85 LEU MD2 2.900 . 4.000 3.198 3.191 3.203 . 0 0 "[ . 1 .]" 1
763 1 10 PHE QB 1 85 LEU MD2 3.500 . 5.100 3.713 3.381 3.976 . 0 0 "[ . 1 .]" 1
764 1 85 LEU HA 1 85 LEU MD2 2.000 . 2.500 1.972 1.874 2.034 . 0 0 "[ . 1 .]" 1
765 1 19 PRO HD2 1 22 THR MG 3.300 . 4.600 3.843 3.711 3.991 . 0 0 "[ . 1 .]" 1
766 1 65 ALA MB 1 85 LEU MD2 2.300 . 3.000 2.362 2.213 2.490 . 0 0 "[ . 1 .]" 1
767 1 85 LEU MD1 1 85 LEU MD2 2.000 . 2.500 2.086 2.075 2.097 . 0 0 "[ . 1 .]" 1
768 1 18 LEU HA 1 22 THR MG 3.400 . 4.800 4.583 4.385 4.804 0.004 8 0 "[ . 1 .]" 1
769 1 13 ILE HA 1 85 LEU MD2 3.100 . 4.300 2.990 2.791 3.205 . 0 0 "[ . 1 .]" 1
770 1 85 LEU MD2 1 85 LEU HG 2.100 . 2.600 2.128 2.125 2.131 . 0 0 "[ . 1 .]" 1
771 1 10 PHE QD 1 85 LEU MD2 3.500 . 5.000 4.076 3.667 4.559 . 0 0 "[ . 1 .]" 1
772 1 85 LEU MD2 1 87 TYR QD 4.000 . 6.000 3.984 3.832 4.188 . 0 0 "[ . 1 .]" 1
773 1 25 LYS HB2 1 25 LYS HG3 2.900 . 3.900 2.441 2.380 2.516 . 0 0 "[ . 1 .]" 1
774 1 70 LYS HB2 1 70 LYS QG 2.300 . 3.000 2.251 2.138 2.341 . 0 0 "[ . 1 .]" 1
775 1 70 LYS HB3 1 70 LYS QG 2.300 . 2.900 2.268 2.162 2.483 . 0 0 "[ . 1 .]" 1
776 1 70 LYS QE 1 70 LYS QG 2.600 . 3.400 2.349 2.122 2.891 . 0 0 "[ . 1 .]" 1
777 1 25 LYS HG3 1 28 HIS QB 3.800 . 5.600 3.701 3.036 4.274 . 0 0 "[ . 1 .]" 1
778 1 70 LYS HA 1 70 LYS QG 2.500 . 3.300 2.687 2.269 3.042 . 0 0 "[ . 1 .]" 1
779 1 25 LYS HA 1 25 LYS HG3 2.400 . 3.100 2.575 2.393 2.692 . 0 0 "[ . 1 .]" 1
780 1 73 ASN HA 1 80 LYS HG3 3.000 . 4.100 3.442 3.105 3.978 . 0 0 "[ . 1 .]" 1
781 1 25 LYS HA 1 25 LYS HG2 2.600 . 3.500 3.091 2.881 3.373 . 0 0 "[ . 1 .]" 1
782 1 80 LYS QE 1 80 LYS QG 3.100 . 4.300 2.425 2.190 2.677 . 0 0 "[ . 1 .]" 1
783 1 75 ILE MD 1 80 LYS QG 2.800 . 3.800 2.935 2.649 3.732 . 0 0 "[ . 1 .]" 1
784 1 67 ARG HA 1 70 LYS QG 3.300 . 4.700 4.001 3.607 4.387 . 0 0 "[ . 1 .]" 1
785 1 91 LYS QE 1 91 LYS QG 2.600 . 3.400 2.230 2.112 2.711 . 0 0 "[ . 1 .]" 1
786 1 73 ASN HB3 1 80 LYS QG 2.900 . 3.900 2.305 1.999 3.380 . 0 0 "[ . 1 .]" 1
787 1 73 ASN HB2 1 80 LYS QG 3.500 . 5.000 3.834 3.485 4.813 . 0 0 "[ . 1 .]" 1
788 1 25 LYS HG2 1 28 HIS QB 3.500 . 5.000 4.082 3.699 4.505 . 0 0 "[ . 1 .]" 1
789 1 91 LYS HA 1 91 LYS QG 2.600 . 3.500 2.589 2.318 3.022 . 0 0 "[ . 1 .]" 1
790 1 27 LEU MD2 1 31 PHE HZ 3.900 . 5.800 3.846 3.713 4.041 . 0 0 "[ . 1 .]" 1
791 1 27 LEU MD2 1 31 PHE QE 2.500 . 3.300 1.944 1.739 2.104 . 0 0 "[ . 1 .]" 1
792 1 27 LEU MD2 1 76 ILE MD 2.700 . 3.600 2.509 2.160 2.924 . 0 0 "[ . 1 .]" 1
793 1 27 LEU MD2 1 31 PHE QD 3.100 . 4.300 3.060 2.851 3.278 . 0 0 "[ . 1 .]" 1
794 1 27 LEU HA 1 27 LEU MD2 2.100 . 2.600 1.875 1.835 1.916 . 0 0 "[ . 1 .]" 1
795 1 27 LEU MD1 1 27 LEU MD2 2.100 . 2.700 2.089 2.080 2.101 . 0 0 "[ . 1 .]" 1
796 1 27 LEU MD2 1 27 LEU HG 2.300 . 2.900 2.129 2.127 2.131 . 0 0 "[ . 1 .]" 1
797 1 27 LEU HB3 1 27 LEU MD2 2.400 . 3.100 2.447 2.419 2.488 . 0 0 "[ . 1 .]" 1
798 1 50 LYS HE3 1 50 LYS QG 3.000 . 4.100 2.936 2.360 3.509 . 0 0 "[ . 1 .]" 1
799 1 50 LYS HE2 1 50 LYS QG 2.800 . 3.800 2.578 2.327 3.318 . 0 0 "[ . 1 .]" 1
800 1 12 LYS HG2 1 58 THR HA 4.300 . 6.000 5.325 4.912 5.716 . 0 0 "[ . 1 .]" 1
801 1 12 LYS HG3 1 58 THR HA 4.100 . 6.000 4.288 3.806 4.597 . 0 0 "[ . 1 .]" 1
802 1 12 LYS QE 1 12 LYS HG3 3.400 . 4.800 2.494 2.371 2.739 . 0 0 "[ . 1 .]" 1
803 1 85 LEU HB3 1 88 LEU MD1 3.700 . 5.400 3.895 3.661 4.125 . 0 0 "[ . 1 .]" 1
804 1 84 ASN HB2 1 88 LEU MD1 2.400 . 3.100 2.636 2.266 3.128 0.028 9 0 "[ . 1 .]" 1
805 1 18 LEU MD1 1 18 LEU MD2 2.200 . 2.800 2.088 2.079 2.098 . 0 0 "[ . 1 .]" 1
806 1 18 LEU HB2 1 18 LEU MD1 2.300 . 3.000 2.299 2.257 2.321 . 0 0 "[ . 1 .]" 1
807 1 18 LEU MD1 1 54 TYR HA 2.700 . 3.600 2.212 2.011 2.389 . 0 0 "[ . 1 .]" 1
808 1 18 LEU MD1 1 27 LEU HA 5.100 . 6.000 4.925 4.725 5.121 . 0 0 "[ . 1 .]" 1
809 1 15 VAL HB 1 18 LEU MD1 2.700 . 3.600 2.178 2.003 2.389 . 0 0 "[ . 1 .]" 1
810 1 85 LEU MD1 1 88 LEU MD1 2.600 . 3.400 3.019 2.753 3.316 . 0 0 "[ . 1 .]" 1
811 1 27 LEU MD1 1 31 PHE QD 4.300 . 6.000 4.409 4.115 4.550 . 0 0 "[ . 1 .]" 1
812 1 27 LEU MD1 1 31 PHE QE 4.500 . 6.000 3.853 3.406 4.013 . 0 0 "[ . 1 .]" 1
813 1 85 LEU HG 1 88 LEU MD1 3.000 . 4.100 3.677 3.374 3.974 . 0 0 "[ . 1 .]" 1
814 1 88 LEU MD1 1 88 LEU HG 2.000 . 2.500 2.127 2.124 2.132 . 0 0 "[ . 1 .]" 1
815 1 18 LEU MD1 1 18 LEU HG 2.300 . 3.000 2.128 2.125 2.132 . 0 0 "[ . 1 .]" 1
816 1 84 ASN HB3 1 88 LEU MD1 4.000 . 6.000 4.057 3.726 4.516 . 0 0 "[ . 1 .]" 1
817 1 18 LEU MD1 1 22 THR HB 2.800 . 3.800 3.398 3.172 3.671 . 0 0 "[ . 1 .]" 1
818 1 88 LEU HB3 1 88 LEU MD1 2.300 . 3.000 2.345 2.326 2.366 . 0 0 "[ . 1 .]" 1
819 1 18 LEU HA 1 18 LEU MD1 3.800 . 5.600 3.845 3.829 3.861 . 0 0 "[ . 1 .]" 1
820 1 87 TYR QE 1 88 LEU MD1 3.500 . 5.000 3.348 3.142 3.780 . 0 0 "[ . 1 .]" 1
821 1 85 LEU HB2 1 88 LEU MD1 2.500 . 3.300 2.461 2.235 2.673 . 0 0 "[ . 1 .]" 1
822 1 88 LEU MD1 1 88 LEU MD2 2.100 . 2.600 2.095 2.089 2.103 . 0 0 "[ . 1 .]" 1
823 1 36 ASP HB3 1 60 LYS QG 3.700 . 5.400 3.857 3.516 4.241 . 0 0 "[ . 1 .]" 1
824 1 36 ASP HB2 1 60 LYS QG 3.600 . 5.200 3.690 3.414 3.847 . 0 0 "[ . 1 .]" 1
825 1 60 LYS QE 1 60 LYS QG 2.600 . 3.400 2.446 2.221 2.701 . 0 0 "[ . 1 .]" 1
826 1 44 THR HB 1 49 GLN QB 3.700 . 5.400 3.565 3.255 3.913 . 0 0 "[ . 1 .]" 1
827 1 60 LYS HA 1 60 LYS QG 2.300 . 3.000 2.335 2.232 2.448 . 0 0 "[ . 1 .]" 1
828 1 60 LYS QD 1 60 LYS QG 2.000 . 2.500 2.015 2.008 2.022 . 0 0 "[ . 1 .]" 1
829 1 49 GLN QB 1 49 GLN QG 2.000 . 2.500 2.085 2.077 2.089 . 0 0 "[ . 1 .]" 1
830 1 87 TYR QD 1 88 LEU MD1 4.500 . 6.000 4.301 4.129 4.576 . 0 0 "[ . 1 .]" 1
831 1 49 GLN HA 1 49 GLN QB 2.200 . 2.800 2.353 2.325 2.367 . 0 0 "[ . 1 .]" 1
832 1 27 LEU HA 1 27 LEU MD1 3.700 . 5.400 3.784 3.748 3.804 . 0 0 "[ . 1 .]" 1
833 1 48 THR HA 1 49 GLN QB 3.600 . 5.200 4.258 4.176 4.362 . 0 0 "[ . 1 .]" 1
834 1 88 LEU HA 1 88 LEU MD1 3.600 . 5.200 3.806 3.785 3.829 . 0 0 "[ . 1 .]" 1
835 1 24 ASP HA 1 27 LEU MD1 3.100 . 4.300 3.271 3.086 3.520 . 0 0 "[ . 1 .]" 1
836 1 27 LEU MD1 1 27 LEU HG 2.300 . 2.900 2.126 2.124 2.129 . 0 0 "[ . 1 .]" 1
837 1 27 LEU HB2 1 27 LEU MD1 2.300 . 2.900 2.397 2.374 2.431 . 0 0 "[ . 1 .]" 1
838 1 27 LEU HB3 1 27 LEU MD1 2.500 . 3.300 2.302 2.278 2.329 . 0 0 "[ . 1 .]" 1
839 1 27 LEU MD1 1 40 ALA HA 3.300 . 4.700 4.389 4.012 4.604 . 0 0 "[ . 1 .]" 1
840 1 72 PRO HB2 1 72 PRO QG 2.300 . 2.900 2.185 2.180 2.191 . 0 0 "[ . 1 .]" 1
841 1 85 LEU HB2 1 85 LEU MD1 2.000 . 2.500 2.335 2.301 2.367 . 0 0 "[ . 1 .]" 1
842 1 71 ASP HA 1 72 PRO QG 3.900 . 5.800 3.853 3.823 3.899 . 0 0 "[ . 1 .]" 1
843 1 72 PRO HD2 1 72 PRO QG 2.400 . 3.100 2.181 2.178 2.186 . 0 0 "[ . 1 .]" 1
844 1 10 PHE QB 1 85 LEU MD1 3.300 . 4.700 3.235 2.892 3.490 . 0 0 "[ . 1 .]" 1
845 1 72 PRO HD3 1 72 PRO QG 2.400 . 3.100 2.229 2.224 2.235 . 0 0 "[ . 1 .]" 1
846 1 22 THR MG 1 27 LEU MD1 3.400 . 4.900 3.315 2.860 3.580 . 0 0 "[ . 1 .]" 1
847 1 85 LEU HB3 1 85 LEU MD1 2.400 . 3.100 2.387 2.342 2.405 . 0 0 "[ . 1 .]" 1
848 1 10 PHE HA 1 85 LEU MD1 2.400 . 3.100 2.379 1.854 2.674 . 0 0 "[ . 1 .]" 1
849 1 10 PHE QE 1 85 LEU MD1 3.300 . 4.600 3.678 3.257 4.403 . 0 0 "[ . 1 .]" 1
850 1 10 PHE QD 1 85 LEU MD1 2.700 . 3.600 2.474 2.208 2.861 . 0 0 "[ . 1 .]" 1
851 1 85 LEU MD1 1 87 TYR QD 3.300 . 4.700 3.514 3.232 3.670 . 0 0 "[ . 1 .]" 1
852 1 85 LEU MD1 1 85 LEU HG 2.100 . 2.700 2.127 2.123 2.130 . 0 0 "[ . 1 .]" 1
853 1 85 LEU MD1 1 87 TYR QE 2.100 . 2.700 2.073 1.824 2.239 . 0 0 "[ . 1 .]" 1
854 1 85 LEU HA 1 85 LEU MD1 3.700 . 5.400 3.852 3.818 3.874 . 0 0 "[ . 1 .]" 1
855 1 10 PHE QB 1 62 ARG HG2 4.200 . 6.000 3.408 2.733 3.752 . 0 0 "[ . 1 .]" 1
856 1 10 PHE QB 1 62 ARG HG3 2.600 . 3.400 1.871 1.717 2.277 0.283 14 0 "[ . 1 .]" 1
857 1 11 THR MG 1 62 ARG HG2 4.400 . 6.000 5.208 4.789 5.409 . 0 0 "[ . 1 .]" 1
858 1 11 THR MG 1 62 ARG HG3 3.700 . 5.400 4.366 3.950 5.006 . 0 0 "[ . 1 .]" 1
859 1 88 LEU MD2 1 88 LEU HG 2.200 . 2.800 2.125 2.121 2.130 . 0 0 "[ . 1 .]" 1
860 1 27 LEU HG 1 31 PHE QD 4.300 . 6.000 5.227 5.039 5.442 . 0 0 "[ . 1 .]" 1
861 1 27 LEU HB3 1 27 LEU HG 2.900 . 4.000 3.015 3.010 3.019 . 0 0 "[ . 1 .]" 1
862 1 24 ASP HA 1 27 LEU HG 3.700 . 5.400 3.734 3.602 3.928 . 0 0 "[ . 1 .]" 1
863 1 87 TYR QE 1 88 LEU HG 3.100 . 4.300 2.712 2.382 3.252 . 0 0 "[ . 1 .]" 1
864 1 88 LEU HA 1 88 LEU HG 2.900 . 4.000 3.080 3.028 3.184 . 0 0 "[ . 1 .]" 1
865 1 88 LEU HB3 1 88 LEU HG 3.000 . 4.100 3.018 3.015 3.020 . 0 0 "[ . 1 .]" 1
866 1 88 LEU HB2 1 88 LEU HG 2.700 . 3.600 2.437 2.424 2.454 . 0 0 "[ . 1 .]" 1
867 1 6 ARG QD 1 6 ARG QG 2.100 . 2.600 2.076 2.014 2.098 . 0 0 "[ . 1 .]" 1
868 1 73 ASN HA 1 74 PRO QG 4.500 . 6.000 4.264 4.090 4.413 . 0 0 "[ . 1 .]" 1
869 1 46 ARG HG3 1 47 ASN QB 3.600 . 6.000 5.499 4.581 6.499 0.499 10 0 "[ . 1 .]" 1
870 1 46 ARG QD 1 46 ARG QG 1.900 . 2.400 2.047 1.995 2.089 . 0 0 "[ . 1 .]" 1
871 1 46 ARG HA 1 46 ARG QG 2.500 . 3.300 3.087 2.421 3.469 0.169 7 0 "[ . 1 .]" 1
872 1 85 LEU HA 1 85 LEU HG 2.900 . 4.000 3.058 2.994 3.142 . 0 0 "[ . 1 .]" 1
873 1 93 ARG HA 1 93 ARG QG 2.700 . 3.600 2.764 2.295 3.065 . 0 0 "[ . 1 .]" 1
874 1 6 ARG HA 1 6 ARG QG 2.700 . 3.600 3.046 2.484 3.484 . 0 0 "[ . 1 .]" 1
875 1 85 LEU HG 1 87 TYR QE 4.500 . 6.000 4.102 3.858 4.360 . 0 0 "[ . 1 .]" 1
876 1 92 PRO HB2 1 92 PRO QG 2.000 . 2.500 2.198 2.179 2.248 . 0 0 "[ . 1 .]" 1
877 1 92 PRO HB3 1 92 PRO HG3 2.200 . 2.800 2.316 2.286 2.334 . 0 0 "[ . 1 .]" 1
878 1 92 PRO HD2 1 92 PRO HG2 2.100 . 2.600 2.297 2.264 2.329 . 0 0 "[ . 1 .]" 1
879 1 92 PRO HD3 1 92 PRO HG3 2.000 . 2.500 2.295 2.260 2.323 . 0 0 "[ . 1 .]" 1
880 1 66 GLU HA 1 85 LEU HG 3.100 . 4.300 3.879 3.598 4.140 . 0 0 "[ . 1 .]" 1
881 1 52 ARG HB3 1 52 ARG HG3 2.600 . 3.500 3.001 2.976 3.016 . 0 0 "[ . 1 .]" 1
882 1 52 ARG HD2 1 52 ARG HG3 2.700 . 3.600 2.389 2.312 2.447 . 0 0 "[ . 1 .]" 1
883 1 52 ARG HD2 1 52 ARG HG2 2.900 . 3.900 2.691 2.435 3.015 . 0 0 "[ . 1 .]" 1
884 1 19 PRO HD3 1 19 PRO HG3 2.700 . 3.600 2.300 2.283 2.315 . 0 0 "[ . 1 .]" 1
885 1 18 LEU HA 1 19 PRO HG3 4.800 . 6.000 4.409 4.353 4.472 . 0 0 "[ . 1 .]" 1
886 1 33 GLN HA 1 33 GLN QB 2.500 . 3.300 2.362 2.310 2.402 . 0 0 "[ . 1 .]" 1
887 1 19 PRO HG3 1 77 ASP HB2 3.300 . 4.600 3.977 2.374 4.511 . 0 0 "[ . 1 .]" 1
888 1 19 PRO HB2 1 19 PRO HG3 3.000 . 4.100 2.697 2.671 2.732 . 0 0 "[ . 1 .]" 1
889 1 79 ARG HD3 1 79 ARG HG2 2.800 . 3.800 2.450 2.353 2.535 . 0 0 "[ . 1 .]" 1
890 1 69 CYS HA 1 69 CYS HB2 3.000 . 4.100 3.021 3.013 3.024 . 0 0 "[ . 1 .]" 1
891 1 32 GLU HA 1 32 GLU HB3 2.500 . 3.300 2.551 2.464 2.819 . 0 0 "[ . 1 .]" 1
892 1 70 LYS HA 1 70 LYS QD 2.600 . 3.400 2.313 1.755 3.439 0.045 5 0 "[ . 1 .]" 1
893 1 32 GLU HA 1 32 GLU HB2 2.500 . 3.300 2.495 2.363 2.937 . 0 0 "[ . 1 .]" 1
894 1 79 ARG HD2 1 79 ARG HG3 3.000 . 4.100 2.444 2.360 2.551 . 0 0 "[ . 1 .]" 1
895 1 32 GLU HB2 1 32 GLU HG2 2.700 . 3.600 2.887 2.385 3.011 . 0 0 "[ . 1 .]" 1
896 1 50 LYS QD 1 50 LYS HE3 2.500 . 3.300 2.268 2.167 2.370 . 0 0 "[ . 1 .]" 1
897 1 50 LYS QD 1 50 LYS HE2 2.500 . 3.300 2.333 2.169 2.402 . 0 0 "[ . 1 .]" 1
898 1 50 LYS HA 1 50 LYS QD 2.400 . 3.100 2.027 1.928 2.213 . 0 0 "[ . 1 .]" 1
899 1 48 THR HB 1 50 LYS QD 3.600 . 5.300 3.872 3.153 4.370 . 0 0 "[ . 1 .]" 1
900 1 28 HIS QB 1 29 GLU HG2 4.000 . 6.000 3.788 2.929 5.002 . 0 0 "[ . 1 .]" 1
901 1 66 GLU HA 1 66 GLU HB2 2.300 . 3.000 2.574 2.455 2.996 . 0 0 "[ . 1 .]" 1
902 1 36 ASP HB3 1 60 LYS QD 2.600 . 3.500 2.356 2.154 2.755 . 0 0 "[ . 1 .]" 1
903 1 36 ASP HB2 1 60 LYS QD 2.800 . 3.800 2.767 2.305 3.155 . 0 0 "[ . 1 .]" 1
904 1 63 ALA MB 1 66 GLU HB2 4.100 . 6.000 4.876 3.874 5.271 . 0 0 "[ . 1 .]" 1
905 1 63 ALA HA 1 66 GLU HB2 2.900 . 3.900 3.389 2.351 3.847 . 0 0 "[ . 1 .]" 1
906 1 32 GLU HB3 1 32 GLU HG3 2.500 . 3.300 2.894 2.405 3.015 . 0 0 "[ . 1 .]" 1
907 1 75 ILE MD 1 80 LYS QD 3.200 . 4.500 3.853 2.263 4.430 . 0 0 "[ . 1 .]" 1
908 1 28 HIS QB 1 28 HIS HD2 3.100 . 4.300 2.749 2.615 2.965 . 0 0 "[ . 1 .]" 1
909 1 73 ASN HA 1 80 LYS QD 3.600 . 5.200 3.992 2.839 4.385 . 0 0 "[ . 1 .]" 1
910 1 67 ARG HA 1 67 ARG HG3 3.100 . 4.300 3.598 3.253 3.784 . 0 0 "[ . 1 .]" 1
911 1 67 ARG HD2 1 67 ARG HG3 2.600 . 3.400 2.721 2.392 3.019 . 0 0 "[ . 1 .]" 1
912 1 73 ASN HB3 1 80 LYS QD 2.800 . 3.800 2.253 1.661 2.966 0.139 7 0 "[ . 1 .]" 1
913 1 67 ARG HA 1 67 ARG HG2 2.700 . 3.600 2.938 2.377 3.410 . 0 0 "[ . 1 .]" 1
914 1 67 ARG HD2 1 67 ARG HG2 2.800 . 3.700 2.644 2.404 3.018 . 0 0 "[ . 1 .]" 1
915 1 73 ASN HB2 1 80 LYS HD3 3.200 . 4.500 3.735 2.992 4.891 0.391 7 0 "[ . 1 .]" 1
916 1 29 GLU HA 1 29 GLU QB 2.300 . 2.900 2.260 2.136 2.364 . 0 0 "[ . 1 .]" 1
917 1 28 HIS QB 1 29 GLU QB 4.700 . 6.000 4.078 3.519 4.519 . 0 0 "[ . 1 .]" 1
918 1 26 THR HA 1 29 GLU QB 2.600 . 3.400 3.308 3.161 3.548 0.148 8 0 "[ . 1 .]" 1
919 1 29 GLU QB 1 29 GLU HG2 2.600 . 3.400 2.301 2.096 2.453 . 0 0 "[ . 1 .]" 1
920 1 21 HIS HB3 1 21 HIS HD2 3.400 . 4.800 3.390 2.812 3.914 . 0 0 "[ . 1 .]" 1
921 1 12 LYS HB2 1 12 LYS HD3 3.100 . 4.300 2.964 2.771 3.261 . 0 0 "[ . 1 .]" 1
922 1 12 LYS HD3 1 12 LYS QE 3.100 . 3.600 2.326 2.164 2.413 . 0 0 "[ . 1 .]" 1
923 1 12 LYS HD2 1 12 LYS HG3 2.900 . 3.900 2.435 2.390 2.526 . 0 0 "[ . 1 .]" 1
924 1 46 ARG HA 1 46 ARG QB 2.000 . 2.500 2.250 2.121 2.396 . 0 0 "[ . 1 .]" 1
925 1 45 ASP HA 1 46 ARG QB 4.400 . 6.000 4.224 3.982 4.637 . 0 0 "[ . 1 .]" 1
926 1 10 PHE QB 1 62 ARG HB2 3.500 . 4.500 2.843 1.956 3.428 . 0 0 "[ . 1 .]" 1
927 1 62 ARG HB3 1 62 ARG QD 2.800 . 3.400 2.384 2.213 2.911 . 0 0 "[ . 1 .]" 1
928 1 10 PHE QB 1 62 ARG HB3 4.400 . 6.000 4.066 3.373 4.505 . 0 0 "[ . 1 .]" 1
929 1 62 ARG HB2 1 62 ARG QD 2.600 . 4.000 2.701 2.380 3.295 . 0 0 "[ . 1 .]" 1
930 1 6 ARG HB3 1 6 ARG QD 2.300 . 3.000 2.780 2.214 3.420 0.420 3 0 "[ . 1 .]" 1
931 1 6 ARG HA 1 6 ARG HB3 2.300 . 3.000 2.518 2.233 3.021 0.021 12 0 "[ . 1 .]" 1
932 1 6 ARG HA 1 6 ARG HB2 2.400 . 3.100 2.700 2.393 3.019 . 0 0 "[ . 1 .]" 1
933 1 38 GLU HB3 1 58 THR HB 2.700 . 3.600 2.884 2.444 3.340 . 0 0 "[ . 1 .]" 1
934 1 6 ARG HB2 1 6 ARG QD 2.500 . 3.300 2.850 2.173 3.387 0.087 7 0 "[ . 1 .]" 1
935 1 93 ARG HA 1 93 ARG QB 2.400 . 3.100 2.377 2.332 2.463 . 0 0 "[ . 1 .]" 1
936 1 38 GLU HA 1 38 GLU HB3 2.500 . 3.300 2.774 2.537 3.018 . 0 0 "[ . 1 .]" 1
937 1 38 GLU HB2 1 58 THR HB 3.500 . 5.000 2.916 1.979 4.003 0.021 14 0 "[ . 1 .]" 1
938 1 9 MET HB2 1 9 MET HG2 3.000 . 4.100 3.005 3.002 3.009 . 0 0 "[ . 1 .]" 1
939 1 9 MET HG2 1 87 TYR QD 3.100 . 4.300 3.419 3.002 4.038 . 0 0 "[ . 1 .]" 1
940 1 9 MET HA 1 9 MET HG3 2.900 . 4.000 2.591 2.420 2.786 . 0 0 "[ . 1 .]" 1
941 1 9 MET HG2 1 10 PHE QD 3.700 . 5.400 4.134 2.949 5.420 0.020 12 0 "[ . 1 .]" 1
942 1 9 MET HA 1 9 MET HG2 2.700 . 3.600 2.724 2.338 3.147 . 0 0 "[ . 1 .]" 1
943 1 9 MET HG3 1 87 TYR QD 3.500 . 5.000 3.927 2.747 5.004 0.004 14 0 "[ . 1 .]" 1
944 1 9 MET ME 1 9 MET HG2 3.400 . 4.800 2.565 2.466 3.382 . 0 0 "[ . 1 .]" 1
945 1 9 MET ME 1 9 MET HG3 3.600 . 5.200 2.913 2.422 3.416 . 0 0 "[ . 1 .]" 1
946 1 9 MET HB2 1 9 MET HG3 2.500 . 3.300 2.447 2.419 2.474 . 0 0 "[ . 1 .]" 1
947 1 9 MET HG2 1 87 TYR QE 3.600 . 5.200 4.096 3.450 4.746 . 0 0 "[ . 1 .]" 1
948 1 9 MET HG2 1 87 TYR HB2 3.900 . 5.800 3.914 2.738 5.141 . 0 0 "[ . 1 .]" 1
949 1 34 PHE QB 1 67 ARG HB3 3.900 . 5.800 4.019 3.637 4.293 . 0 0 "[ . 1 .]" 1
950 1 9 MET HG3 1 87 TYR HB2 3.900 . 5.800 4.081 3.221 4.985 . 0 0 "[ . 1 .]" 1
951 1 33 GLN HA 1 33 GLN QG 3.200 . 4.500 2.672 2.366 3.051 . 0 0 "[ . 1 .]" 1
952 1 9 MET HG3 1 87 TYR QE 3.700 . 6.000 4.988 3.510 6.100 0.100 11 0 "[ . 1 .]" 1
953 1 51 SER HA 1 52 ARG HB2 4.900 . 6.000 4.597 4.435 4.810 . 0 0 "[ . 1 .]" 1
954 1 52 ARG HB3 1 54 TYR QE 3.500 . 5.000 2.394 2.106 2.793 . 0 0 "[ . 1 .]" 1
955 1 34 PHE QD 1 67 ARG HB2 3.700 . 5.400 2.055 1.936 2.701 0.064 12 0 "[ . 1 .]" 1
956 1 64 SER HA 1 67 ARG HB3 4.000 . 6.000 4.695 4.554 4.926 . 0 0 "[ . 1 .]" 1
957 1 64 SER HA 1 67 ARG HB2 2.900 . 3.900 3.152 3.012 3.314 . 0 0 "[ . 1 .]" 1
958 1 34 PHE QD 1 67 ARG HB3 3.500 . 5.000 2.416 2.013 2.683 . 0 0 "[ . 1 .]" 1
959 1 34 PHE QB 1 67 ARG HB2 3.000 . 4.100 2.789 2.511 3.015 . 0 0 "[ . 1 .]" 1
960 1 9 MET HG3 1 10 PHE QD 4.400 . 6.000 4.911 4.424 5.537 . 0 0 "[ . 1 .]" 1
961 1 67 ARG HB3 1 67 ARG HD3 3.300 . 4.700 3.263 2.491 3.867 . 0 0 "[ . 1 .]" 1
962 1 67 ARG HB3 1 67 ARG HG3 2.900 . 4.000 2.603 2.317 3.007 . 0 0 "[ . 1 .]" 1
963 1 67 ARG HB2 1 67 ARG HG3 2.500 . 3.300 2.407 2.220 2.553 . 0 0 "[ . 1 .]" 1
964 1 80 LYS QB 1 80 LYS QE 2.800 . 3.800 2.102 1.851 3.157 . 0 0 "[ . 1 .]" 1
965 1 58 THR HA 1 59 MET HB3 5.100 . 6.000 5.722 5.696 5.778 . 0 0 "[ . 1 .]" 1
966 1 92 PRO HA 1 92 PRO HB2 2.600 . 3.500 2.758 2.671 2.982 . 0 0 "[ . 1 .]" 1
967 1 80 LYS HA 1 80 LYS QB 2.500 . 3.300 2.339 2.314 2.362 . 0 0 "[ . 1 .]" 1
968 1 92 PRO HB3 1 92 PRO HD2 3.800 . 5.600 3.882 3.854 3.909 . 0 0 "[ . 1 .]" 1
969 1 3 MET HB3 1 3 MET QG 2.600 . 3.400 2.317 2.153 2.432 . 0 0 "[ . 1 .]" 1
970 1 92 PRO HA 1 92 PRO HB3 2.100 . 2.600 2.299 2.268 2.318 . 0 0 "[ . 1 .]" 1
971 1 92 PRO HB3 1 92 PRO HD3 3.300 . 4.600 3.333 2.965 4.066 . 0 0 "[ . 1 .]" 1
972 1 70 LYS HA 1 70 LYS HB2 2.200 . 2.800 2.560 2.428 2.759 . 0 0 "[ . 1 .]" 1
973 1 92 PRO HB2 1 92 PRO HD3 3.600 . 5.200 3.948 3.853 4.042 . 0 0 "[ . 1 .]" 1
974 1 15 VAL HB 1 27 LEU MD1 3.600 . 5.200 3.177 2.906 3.507 . 0 0 "[ . 1 .]" 1
975 1 59 MET HA 1 59 MET HG3 3.500 . 5.100 3.758 3.483 3.792 . 0 0 "[ . 1 .]" 1
976 1 91 LYS HB2 1 92 PRO HD3 4.800 . 6.000 4.727 4.356 4.969 . 0 0 "[ . 1 .]" 1
977 1 91 LYS HB3 1 92 PRO HD2 2.300 . 3.000 2.732 2.002 3.113 0.113 2 0 "[ . 1 .]" 1
978 1 91 LYS HA 1 91 LYS HB3 2.300 . 3.000 2.490 2.410 2.574 . 0 0 "[ . 1 .]" 1
979 1 91 LYS QB 1 91 LYS QE 3.600 . 5.200 3.496 1.973 3.848 0.027 6 0 "[ . 1 .]" 1
980 1 30 TYR QE 1 74 PRO HB2 3.400 . 4.900 2.718 2.183 3.258 . 0 0 "[ . 1 .]" 1
981 1 59 MET HG3 1 65 ALA MB 3.100 . 4.300 2.198 2.002 2.524 . 0 0 "[ . 1 .]" 1
982 1 3 MET HA 1 3 MET QB 2.600 . 3.400 2.332 2.185 2.455 . 0 0 "[ . 1 .]" 1
983 1 23 SER HB3 1 25 LYS HB3 3.900 . 5.800 4.706 4.420 5.278 . 0 0 "[ . 1 .]" 1
984 1 9 MET HA 1 9 MET HB3 2.700 . 3.600 2.849 2.618 3.017 . 0 0 "[ . 1 .]" 1
985 1 9 MET HB3 1 9 MET HG3 2.700 . 3.600 3.007 3.002 3.010 . 0 0 "[ . 1 .]" 1
986 1 25 LYS HA 1 25 LYS HB3 2.600 . 3.500 3.021 3.013 3.027 . 0 0 "[ . 1 .]" 1
987 1 9 MET HA 1 9 MET HB2 2.400 . 3.100 2.719 2.448 2.983 . 0 0 "[ . 1 .]" 1
988 1 25 LYS HA 1 25 LYS HB2 2.400 . 3.100 2.470 2.365 2.539 . 0 0 "[ . 1 .]" 1
989 1 9 MET HB3 1 87 TYR HB3 4.100 . 6.000 4.899 3.737 5.889 . 0 0 "[ . 1 .]" 1
990 1 9 MET HB3 1 9 MET ME 3.300 . 4.700 3.046 1.982 4.072 . 0 0 "[ . 1 .]" 1
991 1 9 MET HB3 1 87 TYR QE 4.300 . 6.000 4.979 3.951 5.802 . 0 0 "[ . 1 .]" 1
992 1 36 ASP HB3 1 60 LYS HB2 2.900 . 4.000 2.711 2.097 3.317 . 0 0 "[ . 1 .]" 1
993 1 60 LYS HB2 1 60 LYS QE 2.900 . 3.900 1.960 1.736 2.861 0.164 15 0 "[ . 1 .]" 1
994 1 36 ASP HB3 1 60 LYS HB3 3.200 . 4.500 2.726 2.460 3.062 . 0 0 "[ . 1 .]" 1
995 1 72 PRO HA 1 72 PRO HB3 2.400 . 3.100 2.288 2.277 2.297 . 0 0 "[ . 1 .]" 1
996 1 36 ASP HB2 1 60 LYS HB2 3.000 . 4.100 3.122 2.871 3.582 . 0 0 "[ . 1 .]" 1
997 1 72 PRO HB2 1 72 PRO HD3 3.900 . 5.800 3.919 3.901 3.936 . 0 0 "[ . 1 .]" 1
998 1 36 ASP HB2 1 60 LYS HB3 2.500 . 3.300 2.091 1.922 2.262 . 0 0 "[ . 1 .]" 1
999 1 50 LYS HA 1 50 LYS HB3 2.300 . 3.000 2.474 2.390 2.528 . 0 0 "[ . 1 .]" 1
1000 1 39 GLU HB3 1 39 GLU HG2 2.700 . 3.600 2.447 2.275 3.005 . 0 0 "[ . 1 .]" 1
1001 1 50 LYS HB3 1 50 LYS QG 2.400 . 3.100 2.357 2.315 2.404 . 0 0 "[ . 1 .]" 1
1002 1 43 ILE HB 1 54 TYR QE 3.700 . 5.400 3.121 2.976 3.344 . 0 0 "[ . 1 .]" 1
1003 1 43 ILE HB 1 43 ILE MD 3.300 . 4.700 3.222 3.202 3.234 . 0 0 "[ . 1 .]" 1
1004 1 43 ILE HB 2 6 DG H5' 4.600 . 6.000 4.330 4.131 4.561 . 0 0 "[ . 1 .]" 1
1005 1 43 ILE HB 1 56 PHE QD 4.900 . 6.000 4.321 4.104 4.937 . 0 0 "[ . 1 .]" 1
1006 1 39 GLU HB2 1 39 GLU HG2 2.600 . 3.400 2.640 2.402 3.013 . 0 0 "[ . 1 .]" 1
1007 1 12 LYS HA 1 12 LYS HB2 2.900 . 3.900 2.445 2.408 2.563 . 0 0 "[ . 1 .]" 1
1008 1 43 ILE HB 1 55 GLY HA2 4.200 . 6.000 2.966 2.826 3.102 . 0 0 "[ . 1 .]" 1
1009 1 43 ILE HB 1 55 GLY HA3 5.300 . 6.000 4.521 4.369 4.695 . 0 0 "[ . 1 .]" 1
1010 1 12 LYS HB2 1 12 LYS HD2 2.600 . 3.500 2.465 2.401 2.541 . 0 0 "[ . 1 .]" 1
1011 1 12 LYS HB3 1 58 THR HA 4.800 . 6.000 5.342 5.045 5.531 . 0 0 "[ . 1 .]" 1
1012 1 12 LYS HB2 1 58 THR HA 4.200 . 6.000 4.310 3.918 4.697 . 0 0 "[ . 1 .]" 1
1013 1 46 ARG QB 1 49 GLN QG 2.200 . 6.000 5.159 4.521 5.636 . 0 0 "[ . 1 .]" 1
1014 1 97 GLN HB3 1 97 GLN QG 2.100 . 2.600 2.346 2.291 2.396 . 0 0 "[ . 1 .]" 1
1015 1 48 THR MG 1 49 GLN HG3 3.200 . 6.000 5.372 5.186 5.510 . 0 0 "[ . 1 .]" 1
1016 1 44 THR MG 1 49 GLN QG 3.600 . 5.200 4.985 4.731 5.216 0.016 2 0 "[ . 1 .]" 1
1017 1 48 THR HA 1 49 GLN HG3 2.900 . 3.900 3.844 3.651 3.925 0.025 3 0 "[ . 1 .]" 1
1018 1 49 GLN HA 1 49 GLN QG 2.100 . 2.700 2.457 2.368 2.556 . 0 0 "[ . 1 .]" 1
1019 1 79 ARG HB3 1 79 ARG HG2 2.800 . 3.800 2.363 2.300 2.473 . 0 0 "[ . 1 .]" 1
1020 1 79 ARG HB3 1 79 ARG HD3 3.100 . 4.300 3.188 2.592 3.758 . 0 0 "[ . 1 .]" 1
1021 1 82 ASN HA 1 83 VAL HB 4.900 . 6.000 4.599 4.501 4.705 . 0 0 "[ . 1 .]" 1
1022 1 69 CYS HA 1 83 VAL HB 3.800 . 5.600 3.354 2.912 3.641 . 0 0 "[ . 1 .]" 1
1023 1 74 PRO HD3 1 83 VAL HB 3.400 . 4.800 3.231 3.071 3.554 . 0 0 "[ . 1 .]" 1
1024 1 72 PRO HA 1 83 VAL HB 2.600 . 3.400 2.774 2.452 3.076 . 0 0 "[ . 1 .]" 1
1025 1 79 ARG HB3 1 79 ARG HD2 3.200 . 4.500 3.525 2.911 3.813 . 0 0 "[ . 1 .]" 1
1026 1 79 ARG HB2 1 79 ARG HD2 3.700 . 5.400 2.716 2.419 3.107 . 0 0 "[ . 1 .]" 1
1027 1 56 PHE HA 1 57 VAL HB 4.300 . 6.000 4.512 4.394 4.620 . 0 0 "[ . 1 .]" 1
1028 1 13 ILE HB 1 57 VAL HB 2.600 . 3.500 2.355 2.085 2.551 . 0 0 "[ . 1 .]" 1
1029 1 74 PRO HD2 1 83 VAL HB 4.300 . 6.000 3.825 3.466 4.144 . 0 0 "[ . 1 .]" 1
1030 1 83 VAL HA 1 83 VAL HB 3.000 . 4.100 3.022 3.017 3.028 . 0 0 "[ . 1 .]" 1
1031 1 38 GLU HA 1 38 GLU QG 2.400 . 3.100 2.585 2.175 2.888 . 0 0 "[ . 1 .]" 1
1032 1 38 GLU QG 1 60 LYS HA 2.700 . 3.600 2.756 1.946 3.751 0.151 9 0 "[ . 1 .]" 1
1033 1 19 PRO HD2 1 79 ARG HB2 4.200 . 6.000 4.525 4.220 4.834 . 0 0 "[ . 1 .]" 1
1034 1 38 GLU QG 1 60 LYS QG 3.400 . 4.800 3.158 2.426 4.392 . 0 0 "[ . 1 .]" 1
1035 1 38 GLU HB2 1 38 GLU QG 2.100 . 2.700 2.208 2.139 2.348 . 0 0 "[ . 1 .]" 1
1036 1 38 GLU QG 1 60 LYS QE 3.500 . 4.000 3.059 1.783 4.140 0.140 9 0 "[ . 1 .]" 1
1037 1 38 GLU HB3 1 38 GLU QG 2.200 . 2.800 2.343 2.153 2.459 . 0 0 "[ . 1 .]" 1
1038 1 38 GLU QG 1 58 THR HB 3.900 . 5.800 4.109 3.483 4.805 . 0 0 "[ . 1 .]" 1
1039 1 72 PRO HB3 1 83 VAL HB 3.600 . 5.200 4.789 4.502 5.231 0.031 3 0 "[ . 1 .]" 1
1040 1 75 ILE HA 1 75 ILE HB 2.900 . 4.000 3.025 3.021 3.029 . 0 0 "[ . 1 .]" 1
1041 1 75 ILE HB 1 76 ILE HA 3.700 . 5.400 4.814 4.752 4.881 . 0 0 "[ . 1 .]" 1
1042 1 32 GLU HB3 1 32 GLU HG2 3.000 . 4.100 2.481 2.219 3.005 . 0 0 "[ . 1 .]" 1
1043 1 29 GLU HA 1 32 GLU HG3 2.800 . 3.800 3.635 2.916 3.900 0.100 4 0 "[ . 1 .]" 1
1044 1 29 GLU HA 1 32 GLU HG2 3.700 . 5.400 2.769 1.983 5.123 0.017 6 0 "[ . 1 .]" 1
1045 1 32 GLU HA 1 32 GLU HG2 3.400 . 4.800 3.594 2.243 4.204 . 0 0 "[ . 1 .]" 1
1046 1 32 GLU HA 1 32 GLU HG3 3.500 . 5.000 3.651 3.545 3.738 . 0 0 "[ . 1 .]" 1
1047 1 27 LEU MD1 1 41 VAL HB 4.300 . 6.000 5.054 4.947 5.222 . 0 0 "[ . 1 .]" 1
1048 1 41 VAL HA 1 41 VAL HB 2.400 . 3.100 2.480 2.438 2.518 . 0 0 "[ . 1 .]" 1
1049 1 41 VAL HB 1 43 ILE MD 3.500 . 5.100 3.471 3.312 3.630 . 0 0 "[ . 1 .]" 1
1050 1 66 GLU QG 1 67 ARG HA 3.600 . 6.000 4.499 3.565 5.623 . 0 0 "[ . 1 .]" 1
1051 1 20 TYR HB2 1 51 SER HB3 4.900 . 6.000 5.492 4.385 6.043 0.043 4 0 "[ . 1 .]" 1
1052 1 66 GLU HB3 1 66 GLU QG 2.400 . 3.100 2.377 2.265 2.498 . 0 0 "[ . 1 .]" 1
1053 1 66 GLU HA 1 66 GLU QG 2.600 . 3.300 2.214 2.090 2.367 . 0 0 "[ . 1 .]" 1
1054 1 63 ALA HA 1 66 GLU QG 3.800 . 5.600 4.626 3.200 4.923 . 0 0 "[ . 1 .]" 1
1055 1 40 ALA HA 1 41 VAL HB 4.700 . 6.000 5.727 5.690 5.778 . 0 0 "[ . 1 .]" 1
1056 1 87 TYR HA 1 87 TYR HB2 2.300 . 2.900 2.339 2.309 2.362 . 0 0 "[ . 1 .]" 1
1057 1 87 TYR HB3 1 87 TYR QD 2.600 . 3.500 2.626 2.544 2.698 . 0 0 "[ . 1 .]" 1
1058 1 9 MET QB 1 87 TYR HB3 3.700 . 5.400 3.188 2.741 3.713 . 0 0 "[ . 1 .]" 1
1059 1 87 TYR HB2 1 87 TYR QD 2.400 . 3.100 2.277 2.249 2.299 . 0 0 "[ . 1 .]" 1
1060 1 20 TYR HA 1 20 TYR HB3 2.800 . 3.800 2.479 2.432 2.524 . 0 0 "[ . 1 .]" 1
1061 1 26 THR HA 1 29 GLU HG2 3.100 . 4.300 2.956 1.991 4.153 . 0 0 "[ . 1 .]" 1
1062 1 29 GLU HA 1 29 GLU HG2 2.700 . 3.600 3.475 2.823 4.107 0.507 14 1 "[ . 1 +.]" 1
1063 1 39 GLU HB2 1 39 GLU HG3 2.800 . 3.800 2.778 2.372 3.012 . 0 0 "[ . 1 .]" 1
1064 1 29 GLU HA 1 29 GLU HG3 2.900 . 3.900 3.718 3.500 3.869 . 0 0 "[ . 1 .]" 1
1065 1 20 TYR HB3 1 20 TYR QE 4.500 . 6.000 4.491 4.460 4.519 . 0 0 "[ . 1 .]" 1
1066 1 26 THR HA 1 29 GLU HG3 3.300 . 4.700 3.742 3.113 4.234 . 0 0 "[ . 1 .]" 1
1067 1 39 GLU HA 1 39 GLU HG3 2.800 . 3.700 2.960 2.420 3.624 . 0 0 "[ . 1 .]" 1
1068 1 39 GLU HG3 1 58 THR HB 4.500 . 6.000 5.173 4.772 5.743 . 0 0 "[ . 1 .]" 1
1069 1 30 TYR HB2 1 30 TYR QD 3.300 . 4.700 2.420 2.355 2.481 . 0 0 "[ . 1 .]" 1
1070 1 30 TYR HB3 1 30 TYR QE 4.500 . 6.000 4.411 4.395 4.438 . 0 0 "[ . 1 .]" 1
1071 1 30 TYR HB2 1 30 TYR QE 4.400 . 6.000 4.421 4.400 4.444 . 0 0 "[ . 1 .]" 1
1072 1 30 TYR HA 1 30 TYR HB2 2.700 . 3.600 2.562 2.464 2.668 . 0 0 "[ . 1 .]" 1
1073 1 9 MET HB2 1 10 PHE QB 3.700 . 5.400 4.940 4.309 5.490 0.090 13 0 "[ . 1 .]" 1
1074 1 47 ASN HA 1 47 ASN QB 2.600 . 3.100 2.385 2.280 2.440 . 0 0 "[ . 1 .]" 1
1075 1 10 PHE QB 1 10 PHE QD 2.900 . 3.600 2.122 2.116 2.130 . 0 0 "[ . 1 .]" 1
1076 1 75 ILE HA 1 76 ILE HB 4.300 . 6.000 4.674 4.628 4.733 . 0 0 "[ . 1 .]" 1
1077 1 76 ILE HA 1 76 ILE HB 3.000 . 4.100 3.027 3.023 3.032 . 0 0 "[ . 1 .]" 1
1078 1 18 LEU MD2 1 76 ILE HB 3.100 . 4.300 2.686 2.452 3.062 . 0 0 "[ . 1 .]" 1
1079 1 34 PHE QB 1 67 ARG HG2 4.600 . 6.000 4.787 4.315 5.480 . 0 0 "[ . 1 .]" 1
1080 1 19 PRO HG2 1 77 ASP HB3 3.500 . 5.000 2.418 2.052 3.322 . 0 0 "[ . 1 .]" 1
1081 1 19 PRO HG2 1 77 ASP HB2 3.700 . 5.400 3.406 2.397 3.886 . 0 0 "[ . 1 .]" 1
1082 1 19 PRO HB3 1 77 ASP HB2 4.400 . 6.000 5.980 4.498 6.434 0.434 5 0 "[ . 1 .]" 1
1083 1 19 PRO HD3 1 77 ASP HB3 4.100 . 6.000 4.200 3.561 5.379 . 0 0 "[ . 1 .]" 1
1084 1 76 ILE HA 1 77 ASP HB2 4.300 . 6.000 4.465 4.230 4.603 . 0 0 "[ . 1 .]" 1
1085 1 19 PRO HD3 1 77 ASP HB2 4.500 . 6.000 5.372 4.086 5.737 . 0 0 "[ . 1 .]" 1
1086 1 21 HIS HD2 1 77 ASP HB2 3.000 . 6.000 6.204 5.436 6.964 0.964 1 5 "[+* .* -*1 .]" 1
1087 1 77 ASP HA 1 77 ASP HB2 2.600 . 3.400 2.602 2.472 3.015 . 0 0 "[ . 1 .]" 1
1088 1 34 PHE QB 1 34 PHE QD 3.000 . 4.200 2.122 2.108 2.133 . 0 0 "[ . 1 .]" 1
1089 1 31 PHE HB2 1 68 ALA MB 3.400 . 6.000 5.102 4.953 5.282 . 0 0 "[ . 1 .]" 1
1090 1 31 PHE HB2 1 31 PHE QD 2.600 . 3.400 2.371 2.282 2.449 . 0 0 "[ . 1 .]" 1
1091 1 31 PHE HB3 1 31 PHE QD 2.800 . 3.800 2.403 2.323 2.549 . 0 0 "[ . 1 .]" 1
1092 1 31 PHE HB3 1 37 ILE MD 2.900 . 4.000 2.351 2.124 2.583 . 0 0 "[ . 1 .]" 1
1093 1 31 PHE HB2 1 37 ILE MD 3.100 . 4.300 1.892 1.774 2.013 0.126 4 0 "[ . 1 .]" 1
1094 1 71 ASP HB3 1 72 PRO HD3 4.500 . 6.000 5.044 4.992 5.092 . 0 0 "[ . 1 .]" 1
1095 1 71 ASP HB3 1 72 PRO HD2 4.400 . 6.000 4.632 4.387 4.774 . 0 0 "[ . 1 .]" 1
1096 1 73 ASN HA 1 82 ASN QB 4.100 . 6.000 4.994 4.227 5.323 . 0 0 "[ . 1 .]" 1
1097 1 54 TYR HB3 2 4 DG H8 4.000 . 6.000 4.789 4.215 5.526 . 0 0 "[ . 1 .]" 1
1098 1 13 ILE HB 1 58 THR HA 3.900 . 5.800 4.741 4.159 5.133 . 0 0 "[ . 1 .]" 1
1099 1 54 TYR QB 1 54 TYR QD 3.300 . 4.700 2.134 2.126 2.142 . 0 0 "[ . 1 .]" 1
1100 1 7 ASP HA 1 7 ASP QB 2.400 . 3.100 2.327 2.165 2.453 . 0 0 "[ . 1 .]" 1
1101 1 14 PHE HB3 1 14 PHE QD 3.000 . 4.100 2.291 2.273 2.331 . 0 0 "[ . 1 .]" 1
1102 1 12 LYS HA 1 13 ILE HB 4.100 . 6.000 4.564 4.482 4.616 . 0 0 "[ . 1 .]" 1
1103 1 14 PHE HA 1 14 PHE HB2 2.800 . 3.800 2.428 2.388 2.454 . 0 0 "[ . 1 .]" 1
1104 1 14 PHE HB3 2 5 DT H1' 5.400 . 6.000 5.965 5.616 6.062 0.062 9 0 "[ . 1 .]" 1
1105 1 14 PHE HB2 1 14 PHE QD 3.100 . 4.300 2.535 2.455 2.584 . 0 0 "[ . 1 .]" 1
1106 1 14 PHE HB2 1 86 ALA HA 2.700 . 3.600 2.453 2.192 2.750 . 0 0 "[ . 1 .]" 1
1107 1 80 LYS QD 1 80 LYS QE 2.200 . 2.800 2.050 2.007 2.095 . 0 0 "[ . 1 .]" 1
1108 1 37 ILE HA 1 37 ILE HB 2.900 . 3.900 2.997 2.985 3.008 . 0 0 "[ . 1 .]" 1
1109 1 75 ILE MD 1 80 LYS QE 2.800 . 3.800 2.550 2.008 3.627 . 0 0 "[ . 1 .]" 1
1110 1 37 ILE HB 1 59 MET HA 4.200 . 6.000 4.978 4.807 5.097 . 0 0 "[ . 1 .]" 1
1111 1 12 LYS HB3 1 12 LYS QE 4.200 . 6.000 4.002 3.863 4.177 . 0 0 "[ . 1 .]" 1
1112 1 14 PHE HB2 2 5 DT H1' 3.800 . 5.600 4.606 4.338 4.749 . 0 0 "[ . 1 .]" 1
1113 1 12 LYS QE 1 12 LYS HG2 2.900 . 4.000 2.560 2.351 2.954 . 0 0 "[ . 1 .]" 1
1114 1 12 LYS QE 1 56 PHE QD 3.300 . 4.600 2.946 2.552 3.979 . 0 0 "[ . 1 .]" 1
1115 1 12 LYS HD2 1 12 LYS QE 2.300 . 3.000 2.302 2.155 2.409 . 0 0 "[ . 1 .]" 1
1116 1 85 LEU HB3 1 88 LEU HG 4.100 . 6.000 3.400 3.128 3.635 . 0 0 "[ . 1 .]" 1
1117 1 85 LEU HB2 1 88 LEU HG 2.800 . 3.800 2.385 2.059 2.708 . 0 0 "[ . 1 .]" 1
1118 1 85 LEU HB3 1 88 LEU MD2 5.000 . 6.000 4.623 4.271 4.919 . 0 0 "[ . 1 .]" 1
1119 1 36 ASP QB 1 60 LYS QD 2.500 . 3.300 2.220 2.027 2.592 . 0 0 "[ . 1 .]" 1
1120 1 28 HIS HD2 1 37 ILE HB 4.000 . 6.000 3.778 2.767 4.895 . 0 0 "[ . 1 .]" 1
1121 1 85 LEU HA 1 85 LEU HB3 2.400 . 3.100 2.507 2.482 2.535 . 0 0 "[ . 1 .]" 1
1122 1 36 ASP QB 1 60 LYS HB2 2.700 . 3.600 2.534 2.053 2.975 . 0 0 "[ . 1 .]" 1
1123 1 36 ASP QB 1 60 LYS QG 4.000 . 6.000 3.341 3.199 3.494 . 0 0 "[ . 1 .]" 1
1124 1 85 LEU HB3 1 87 TYR QD 2.400 . 3.100 2.182 2.067 2.273 . 0 0 "[ . 1 .]" 1
1125 1 36 ASP HA 1 36 ASP HB2 2.600 . 3.400 3.011 2.960 3.031 . 0 0 "[ . 1 .]" 1
1126 1 36 ASP HA 1 36 ASP HB3 2.400 . 3.100 2.549 2.463 2.590 . 0 0 "[ . 1 .]" 1
1127 1 85 LEU QB 1 85 LEU HG 2.500 . 3.300 2.365 2.343 2.380 . 0 0 "[ . 1 .]" 1
1128 1 85 LEU HB3 1 85 LEU HG 2.800 . 3.800 3.021 3.016 3.024 . 0 0 "[ . 1 .]" 1
1129 1 12 LYS QE 1 56 PHE QE 3.300 . 4.600 2.680 2.179 4.140 . 0 0 "[ . 1 .]" 1
1130 1 12 LYS QE 2 6 DG H2' 4.500 . 6.000 5.485 5.245 5.670 . 0 0 "[ . 1 .]" 1
1131 1 18 LEU HB2 1 19 PRO HD3 4.700 . 6.000 5.132 5.016 5.227 . 0 0 "[ . 1 .]" 1
1132 1 18 LEU HB2 1 18 LEU HG 2.900 . 3.900 2.470 2.449 2.489 . 0 0 "[ . 1 .]" 1
1133 1 38 GLU HA 1 60 LYS QE 2.500 . 3.300 2.989 2.490 3.319 0.019 8 0 "[ . 1 .]" 1
1134 1 70 LYS HA 1 70 LYS QE 3.500 . 5.000 3.894 2.139 4.748 . 0 0 "[ . 1 .]" 1
1135 1 25 LYS HD3 1 25 LYS QE 2.400 . 3.100 2.264 2.154 2.384 . 0 0 "[ . 1 .]" 1
1136 1 18 LEU HA 1 18 LEU HB3 2.900 . 4.000 2.529 2.508 2.550 . 0 0 "[ . 1 .]" 1
1137 1 25 LYS QD 1 25 LYS QE 2.000 . 2.500 2.040 1.994 2.092 . 0 0 "[ . 1 .]" 1
1138 1 25 LYS HB2 1 25 LYS QE 2.600 . 3.400 2.661 1.944 3.310 . 0 0 "[ . 1 .]" 1
1139 1 91 LYS QE 2 5 DT H2'' 3.400 . 6.000 5.735 4.429 6.076 0.076 3 0 "[ . 1 .]" 1
1140 1 73 ASN HA 1 73 ASN HB2 2.900 . 4.000 3.012 2.993 3.024 . 0 0 "[ . 1 .]" 1
1141 1 73 ASN HA 1 73 ASN HB3 2.600 . 3.400 2.545 2.489 2.595 . 0 0 "[ . 1 .]" 1
1142 1 18 LEU HB2 1 53 GLY HA3 4.000 . 6.000 4.364 4.185 4.741 . 0 0 "[ . 1 .]" 1
1143 1 88 LEU HB2 1 88 LEU MD1 2.500 . 3.300 2.371 2.342 2.399 . 0 0 "[ . 1 .]" 1
1144 1 88 LEU HA 1 88 LEU HB3 2.600 . 3.400 2.506 2.469 2.531 . 0 0 "[ . 1 .]" 1
1145 1 88 LEU HA 1 88 LEU HB2 2.800 . 3.800 3.012 3.006 3.019 . 0 0 "[ . 1 .]" 1
1146 1 84 ASN HA 1 84 ASN HB2 2.400 . 3.100 2.479 2.436 2.536 . 0 0 "[ . 1 .]" 1
1147 1 24 ASP HA 1 27 LEU HB3 3.800 . 5.600 4.713 4.525 4.877 . 0 0 "[ . 1 .]" 1
1148 1 27 LEU HB2 1 27 LEU MD2 3.300 . 4.600 3.194 3.188 3.198 . 0 0 "[ . 1 .]" 1
1149 1 24 ASP HA 1 27 LEU HB2 3.000 . 4.100 3.043 2.867 3.204 . 0 0 "[ . 1 .]" 1
1150 1 27 LEU HA 1 27 LEU HB3 2.600 . 3.500 2.527 2.509 2.535 . 0 0 "[ . 1 .]" 1
1151 1 79 ARG HB2 1 79 ARG HD3 3.700 . 5.400 2.637 2.387 3.244 . 0 0 "[ . 1 .]" 1
1152 1 45 ASP HB2 1 48 THR MG 4.800 . 6.000 5.102 4.789 5.554 . 0 0 "[ . 1 .]" 1
1153 1 19 PRO HD3 1 79 ARG HD3 3.900 . 5.800 3.155 1.991 4.398 0.009 1 0 "[ . 1 .]" 1
1154 1 19 PRO HD3 1 79 ARG HD2 4.400 . 6.000 4.115 2.799 4.845 . 0 0 "[ . 1 .]" 1
1155 1 45 ASP HB3 1 52 ARG HD3 5.100 . 6.000 6.136 5.657 6.495 0.495 7 0 "[ . 1 .]" 1
1156 1 6 ARG QD 1 7 ASP QB 3.200 . 4.500 3.989 3.182 4.447 . 0 0 "[ . 1 .]" 1
1157 1 6 ARG QD 1 6 ARG HG3 2.400 . 3.100 2.300 2.155 2.404 . 0 0 "[ . 1 .]" 1
1158 1 46 ARG HA 1 46 ARG QD 2.500 . 3.300 3.180 1.994 3.755 0.455 10 0 "[ . 1 .]" 1
1159 1 93 ARG QD 1 93 ARG QG 2.000 . 2.500 2.051 1.969 2.092 . 0 0 "[ . 1 .]" 1
1160 1 93 ARG QB 1 93 ARG QD 2.200 . 2.800 2.422 2.090 2.861 0.061 6 0 "[ . 1 .]" 1
1161 1 6 ARG HA 1 6 ARG QD 2.600 . 3.500 3.091 1.776 3.632 0.132 14 0 "[ . 1 .]" 1
1162 1 46 ARG QD 1 49 GLN QG 2.800 . 6.000 5.521 3.954 6.041 0.041 4 0 "[ . 1 .]" 1
1163 1 93 ARG HA 1 93 ARG QD 2.700 . 3.600 2.508 1.784 3.788 0.188 8 0 "[ . 1 .]" 1
1164 1 6 ARG QD 1 6 ARG HG2 2.200 . 2.800 2.374 2.274 2.462 . 0 0 "[ . 1 .]" 1
1165 1 43 ILE HB 1 52 ARG HD2 4.200 . 6.000 4.877 3.478 6.028 0.028 2 0 "[ . 1 .]" 1
1166 1 52 ARG HD3 1 52 ARG HG3 2.600 . 3.400 2.692 2.432 3.018 . 0 0 "[ . 1 .]" 1
1167 1 52 ARG HA 1 52 ARG HD2 4.000 . 6.000 4.769 4.662 4.929 . 0 0 "[ . 1 .]" 1
1168 1 52 ARG HB3 1 52 ARG HD2 3.700 . 5.400 3.427 3.015 3.783 . 0 0 "[ . 1 .]" 1
1169 1 52 ARG HD3 1 54 TYR QE 3.400 . 4.800 3.237 2.728 3.874 . 0 0 "[ . 1 .]" 1
1170 1 52 ARG HB3 1 52 ARG HD3 2.800 . 3.800 2.612 2.266 3.111 . 0 0 "[ . 1 .]" 1
1171 1 52 ARG HB2 1 52 ARG HD3 3.100 . 4.300 2.752 2.458 3.030 . 0 0 "[ . 1 .]" 1
1172 1 52 ARG HB2 1 52 ARG HD2 3.800 . 5.600 3.307 2.574 3.835 . 0 0 "[ . 1 .]" 1
1173 1 52 ARG HD2 1 54 TYR QE 4.400 . 6.000 4.251 3.268 5.093 . 0 0 "[ . 1 .]" 1
1174 1 62 ARG QD 1 62 ARG HG2 2.400 . 3.100 2.303 2.165 2.422 . 0 0 "[ . 1 .]" 1
1175 1 10 PHE QB 1 62 ARG QD 3.400 . 4.900 2.846 2.303 3.407 . 0 0 "[ . 1 .]" 1
1176 1 10 PHE QD 1 62 ARG QD 3.800 . 5.600 3.419 3.011 4.006 . 0 0 "[ . 1 .]" 1
1177 1 62 ARG HA 1 62 ARG QD 3.800 . 5.600 4.166 4.051 4.412 . 0 0 "[ . 1 .]" 1
1178 1 67 ARG HA 1 67 ARG HD2 3.200 . 4.400 3.117 1.903 4.660 0.260 2 0 "[ . 1 .]" 1
1179 1 67 ARG HD3 1 67 ARG HG2 2.600 . 3.400 2.530 2.359 3.014 . 0 0 "[ . 1 .]" 1
1180 1 67 ARG HB3 1 67 ARG HD2 2.900 . 4.000 3.022 2.381 3.588 . 0 0 "[ . 1 .]" 1
1181 1 35 GLY HA3 1 64 SER HB2 3.800 . 5.600 3.567 2.686 4.205 . 0 0 "[ . 1 .]" 1
1182 1 67 ARG HD3 1 67 ARG HG3 2.700 . 3.600 2.645 2.414 3.016 . 0 0 "[ . 1 .]" 1
1183 1 67 ARG HB2 1 67 ARG HD2 3.300 . 4.600 3.538 2.396 3.926 . 0 0 "[ . 1 .]" 1
1184 1 67 ARG HB2 1 67 ARG HD3 3.500 . 5.000 3.693 2.690 4.231 . 0 0 "[ . 1 .]" 1
1185 1 35 GLY HA2 1 59 MET ME 4.600 . 6.000 4.477 3.849 4.832 . 0 0 "[ . 1 .]" 1
1186 1 56 PHE HB3 1 56 PHE QD 3.000 . 4.100 2.438 2.360 2.596 . 0 0 "[ . 1 .]" 1
1187 1 56 PHE HA 1 56 PHE HB3 3.000 . 4.100 2.581 2.546 2.591 . 0 0 "[ . 1 .]" 1
1188 1 42 VAL HA 1 55 GLY HA3 2.800 . 3.800 2.158 1.984 2.300 . 0 0 "[ . 1 .]" 1
1189 1 27 LEU MD1 1 55 GLY HA3 3.500 . 5.000 2.327 2.214 2.460 . 0 0 "[ . 1 .]" 1
1190 1 18 LEU MD1 1 55 GLY HA3 3.600 . 5.300 2.885 2.640 3.169 . 0 0 "[ . 1 .]" 1
1191 1 20 TYR QD 1 53 GLY HA2 3.700 . 5.400 2.728 2.492 3.021 . 0 0 "[ . 1 .]" 1
1192 1 20 TYR QD 1 53 GLY HA3 4.700 . 6.000 3.323 2.973 3.792 . 0 0 "[ . 1 .]" 1
1193 1 74 PRO HB3 1 74 PRO HD3 3.500 . 5.000 3.705 3.055 4.046 . 0 0 "[ . 1 .]" 1
1194 1 74 PRO HA 1 74 PRO HD2 3.800 . 5.600 3.962 3.891 4.091 . 0 0 "[ . 1 .]" 1
1195 1 74 PRO HB2 1 74 PRO HD2 3.700 . 5.400 3.352 2.950 4.023 . 0 0 "[ . 1 .]" 1
1196 1 74 PRO HD3 1 81 ALA MB 4.500 . 6.000 4.311 4.061 4.558 . 0 0 "[ . 1 .]" 1
1197 1 71 ASP HA 1 72 PRO HB2 5.100 . 6.000 5.517 5.470 5.553 . 0 0 "[ . 1 .]" 1
1198 1 71 ASP HA 1 71 ASP HB2 2.700 . 3.600 2.546 2.481 2.579 . 0 0 "[ . 1 .]" 1
1199 1 71 ASP HA 1 72 PRO HD3 2.500 . 3.300 2.434 2.296 2.606 . 0 0 "[ . 1 .]" 1
1200 1 71 ASP HA 1 72 PRO HD2 2.300 . 2.900 2.052 2.010 2.105 . 0 0 "[ . 1 .]" 1
1201 1 71 ASP HA 1 71 ASP HB3 3.000 . 4.100 3.025 3.017 3.036 . 0 0 "[ . 1 .]" 1
1202 1 19 PRO HD2 1 19 PRO HG2 2.700 . 3.600 2.298 2.282 2.312 . 0 0 "[ . 1 .]" 1
1203 1 19 PRO HB2 1 19 PRO HD2 4.000 . 6.000 4.012 3.956 4.036 . 0 0 "[ . 1 .]" 1
1204 1 19 PRO HB2 1 19 PRO HD3 4.000 . 6.000 3.929 3.896 3.963 . 0 0 "[ . 1 .]" 1
1205 1 19 PRO HD2 1 79 ARG HB3 5.100 . 6.000 3.184 3.023 3.421 . 0 0 "[ . 1 .]" 1
1206 1 18 LEU HB2 1 19 PRO HD2 4.600 . 6.000 4.179 4.066 4.271 . 0 0 "[ . 1 .]" 1
1207 1 18 LEU MD1 1 19 PRO HD2 4.600 . 6.000 4.390 4.260 4.563 . 0 0 "[ . 1 .]" 1
1208 1 18 LEU MD1 1 19 PRO HD3 5.100 . 6.000 5.623 5.451 5.789 . 0 0 "[ . 1 .]" 1
1209 1 19 PRO HD3 1 22 THR MG 4.600 . 6.000 5.336 5.193 5.500 . 0 0 "[ . 1 .]" 1
1210 1 91 LYS HB3 1 92 PRO HD3 3.500 . 5.000 3.750 3.151 4.162 . 0 0 "[ . 1 .]" 1
1211 1 92 PRO HB2 1 92 PRO HD2 3.400 . 4.800 3.728 2.880 4.047 . 0 0 "[ . 1 .]" 1
1212 1 91 LYS HA 1 92 PRO HD2 2.200 . 2.800 2.427 2.145 2.834 0.034 5 0 "[ . 1 .]" 1
1213 1 91 LYS HA 1 92 PRO HD3 2.000 . 2.500 2.078 1.773 2.515 0.015 15 0 "[ . 1 .]" 1
1214 1 92 PRO HD3 1 92 PRO QG 2.500 . 3.300 2.207 2.182 2.245 . 0 0 "[ . 1 .]" 1
1215 1 91 LYS HB2 1 92 PRO HD2 3.800 . 5.600 4.166 3.519 4.492 . 0 0 "[ . 1 .]" 1
1216 1 72 PRO HB3 1 72 PRO HD3 3.100 . 4.300 2.980 2.950 3.014 . 0 0 "[ . 1 .]" 1
1217 1 72 PRO HB2 1 72 PRO HD2 4.100 . 6.000 4.039 4.023 4.048 . 0 0 "[ . 1 .]" 1
1218 1 72 PRO HB3 1 72 PRO HD2 3.700 . 5.400 3.867 3.859 3.880 . 0 0 "[ . 1 .]" 1
1219 1 71 ASP HB2 1 72 PRO HD2 5.100 . 6.000 4.465 4.285 4.565 . 0 0 "[ . 1 .]" 1
1220 1 71 ASP HB2 1 72 PRO HD3 5.100 . 6.000 4.892 4.847 4.989 . 0 0 "[ . 1 .]" 1
1221 1 81 ALA HA 1 81 ALA MB 2.400 . 3.100 2.128 2.125 2.131 . 0 0 "[ . 1 .]" 1
1222 1 73 ASN HA 1 82 ASN HA 3.000 . 4.100 3.102 2.871 3.373 . 0 0 "[ . 1 .]" 1
1223 1 73 ASN HA 1 74 PRO HD2 2.400 . 3.100 2.708 2.292 2.997 . 0 0 "[ . 1 .]" 1
1224 1 73 ASN HA 1 80 LYS QB 3.500 . 5.100 2.924 2.720 3.130 . 0 0 "[ . 1 .]" 1
1225 1 80 LYS HA 1 81 ALA HA 4.000 . 6.000 4.374 4.345 4.394 . 0 0 "[ . 1 .]" 1
1226 1 90 ALA HA 2 5 DT H2'' 3.500 . 5.100 3.788 3.135 4.220 . 0 0 "[ . 1 .]" 1
1227 1 90 ALA HA 2 5 DT H1' 3.600 . 5.200 5.003 4.315 5.320 0.120 4 0 "[ . 1 .]" 1
1228 1 11 THR MG 1 61 ASP HA 2.800 . 3.800 3.232 2.776 3.435 . 0 0 "[ . 1 .]" 1
1229 1 61 ASP HA 1 61 ASP HB2 2.300 . 6.000 2.389 2.287 2.491 . 0 0 "[ . 1 .]" 1
1230 1 61 ASP HA 1 62 ARG HB2 5.100 . 6.000 4.598 4.428 4.936 . 0 0 "[ . 1 .]" 1
1231 1 61 ASP HA 1 61 ASP HB3 2.400 . 3.100 2.976 2.528 3.029 . 0 0 "[ . 1 .]" 1
1232 1 18 LEU HA 1 19 PRO HD3 2.700 . 3.600 2.470 2.335 2.554 . 0 0 "[ . 1 .]" 1
1233 1 18 LEU HA 1 19 PRO HD2 2.400 . 3.100 2.002 1.888 2.120 . 0 0 "[ . 1 .]" 1
1234 1 18 LEU HA 1 19 PRO HG2 4.800 . 6.000 4.194 4.079 4.295 . 0 0 "[ . 1 .]" 1
1235 1 18 LEU HA 1 19 PRO HB3 4.800 . 6.000 5.064 4.943 5.175 . 0 0 "[ . 1 .]" 1
1236 1 18 LEU HA 1 18 LEU HG 3.200 . 4.500 3.007 2.964 3.041 . 0 0 "[ . 1 .]" 1
1237 1 59 MET HA 1 65 ALA MB 4.800 . 6.000 4.500 4.407 4.671 . 0 0 "[ . 1 .]" 1
1238 1 38 GLU HB3 1 59 MET HA 4.500 . 6.000 5.399 4.404 5.851 . 0 0 "[ . 1 .]" 1
1239 1 59 MET HA 1 59 MET HB3 2.300 . 3.000 2.454 2.422 2.496 . 0 0 "[ . 1 .]" 1
1240 1 82 ASN HA 1 82 ASN HB3 2.700 . 3.600 2.553 2.430 3.012 . 0 0 "[ . 1 .]" 1
1241 1 37 ILE HA 1 59 MET HA 2.100 . 2.700 2.143 2.015 2.262 . 0 0 "[ . 1 .]" 1
1242 1 82 ASN HA 1 82 ASN HB2 2.800 . 3.800 2.954 2.344 3.039 . 0 0 "[ . 1 .]" 1
1243 1 84 ASN HA 1 84 ASN HB3 2.200 . 2.800 2.443 2.382 2.494 . 0 0 "[ . 1 .]" 1
1244 1 34 PHE QB 1 68 ALA HA 3.800 . 5.600 4.418 3.818 4.853 . 0 0 "[ . 1 .]" 1
1245 1 95 ASN HA 1 95 ASN HB2 2.700 . 3.600 2.624 2.403 3.033 . 0 0 "[ . 1 .]" 1
1246 1 31 PHE QE 1 68 ALA HA 4.000 . 6.000 4.468 3.901 4.883 . 0 0 "[ . 1 .]" 1
1247 1 95 ASN HA 1 95 ASN HB3 2.700 . 3.600 2.786 2.441 3.032 . 0 0 "[ . 1 .]" 1
1248 1 34 PHE QD 1 68 ALA HA 3.400 . 4.800 3.419 3.082 3.824 . 0 0 "[ . 1 .]" 1
1249 1 34 PHE HZ 1 68 ALA HA 3.500 . 5.000 3.142 2.956 3.377 . 0 0 "[ . 1 .]" 1
1250 1 34 PHE QE 1 68 ALA HA 3.500 . 5.000 2.610 2.425 2.793 . 0 0 "[ . 1 .]" 1
1251 1 45 ASP HA 1 45 ASP HB3 2.600 . 3.400 3.017 3.009 3.029 . 0 0 "[ . 1 .]" 1
1252 1 45 ASP HA 1 45 ASP HB2 2.400 . 3.100 2.390 2.353 2.437 . 0 0 "[ . 1 .]" 1
1253 1 91 LYS HA 1 91 LYS HG3 3.200 . 4.500 3.175 2.347 3.798 . 0 0 "[ . 1 .]" 1
1254 1 91 LYS HA 1 91 LYS HG2 3.000 . 4.100 2.944 2.498 3.653 . 0 0 "[ . 1 .]" 1
1255 1 91 LYS HA 1 92 PRO QG 4.800 . 6.000 3.841 3.640 3.986 . 0 0 "[ . 1 .]" 1
1256 1 90 ALA MB 1 91 LYS HA 2.800 . 6.000 4.366 4.292 4.470 . 0 0 "[ . 1 .]" 1
1257 1 91 LYS HA 1 91 LYS HB2 2.700 . 3.600 3.022 3.006 3.029 . 0 0 "[ . 1 .]" 1
1258 1 79 ARG HA 1 79 ARG HB3 2.500 . 3.300 3.021 3.007 3.029 . 0 0 "[ . 1 .]" 1
1259 1 79 ARG HA 1 79 ARG HG3 2.700 . 3.600 2.848 2.496 3.217 . 0 0 "[ . 1 .]" 1
1260 1 79 ARG HA 1 80 LYS HB2 4.500 . 6.000 4.615 4.499 4.706 . 0 0 "[ . 1 .]" 1
1261 1 75 ILE MD 1 79 ARG HA 4.200 . 6.000 4.072 3.789 4.523 . 0 0 "[ . 1 .]" 1
1262 1 79 ARG HA 1 79 ARG HD3 4.100 . 6.000 3.886 3.043 4.705 . 0 0 "[ . 1 .]" 1
1263 1 79 ARG HA 1 79 ARG HB2 3.000 . 4.100 2.423 2.355 2.542 . 0 0 "[ . 1 .]" 1
1264 1 79 ARG HA 1 79 ARG HG2 3.200 . 4.500 3.608 2.925 3.930 . 0 0 "[ . 1 .]" 1
1265 1 79 ARG HA 1 79 ARG HD2 3.500 . 5.000 3.136 2.009 4.368 . 0 0 "[ . 1 .]" 1
1266 1 36 ASP HA 1 37 ILE HB 4.700 . 6.000 4.381 4.306 4.465 . 0 0 "[ . 1 .]" 1
1267 1 36 ASP HA 1 60 LYS HB3 4.000 . 6.000 4.131 4.027 4.304 . 0 0 "[ . 1 .]" 1
1268 1 7 ASP HA 1 8 THR MG 4.100 . 6.000 4.995 4.544 5.756 . 0 0 "[ . 1 .]" 1
1269 1 54 TYR HA 1 54 TYR HB2 2.900 . 4.000 2.473 2.446 2.498 . 0 0 "[ . 1 .]" 1
1270 1 54 TYR HA 1 54 TYR HB3 2.800 . 3.800 2.419 2.388 2.451 . 0 0 "[ . 1 .]" 1
1271 1 54 TYR HA 1 55 GLY HA3 4.000 . 6.000 4.229 4.198 4.256 . 0 0 "[ . 1 .]" 1
1272 1 54 TYR HA 1 54 TYR QD 4.600 . 6.000 3.761 3.755 3.770 . 0 0 "[ . 1 .]" 1
1273 1 77 ASP HA 1 77 ASP HB3 2.500 . 3.300 2.974 2.565 3.033 . 0 0 "[ . 1 .]" 1
1274 1 47 ASN HA 1 48 THR MG 4.000 . 6.000 4.635 4.348 4.778 . 0 0 "[ . 1 .]" 1
1275 1 46 ARG QB 1 47 ASN HA 3.300 . 4.700 4.287 3.657 4.517 . 0 0 "[ . 1 .]" 1
1276 1 62 ARG HG3 1 63 ALA HA 3.700 . 5.400 4.857 4.093 5.417 0.017 15 0 "[ . 1 .]" 1
1277 1 63 ALA HA 1 66 GLU HB3 2.600 . 3.400 3.070 2.840 4.005 0.605 4 1 "[ +. 1 .]" 1
1278 1 50 LYS HA 1 50 LYS QG 2.700 . 3.600 2.933 2.815 3.081 . 0 0 "[ . 1 .]" 1
1279 1 50 LYS HA 1 50 LYS HB3 2.300 . 3.000 1.936 1.865 2.040 . 0 0 "[ . 1 .]" 1
1280 1 14 PHE HA 1 86 ALA HA 3.900 . 5.800 4.519 4.365 4.754 . 0 0 "[ . 1 .]" 1
1281 1 3 MET HA 1 3 MET QG 3.600 . 5.200 2.780 2.339 3.351 . 0 0 "[ . 1 .]" 1
1282 1 23 SER HA 1 23 SER HB2 2.300 . 2.900 2.475 2.449 2.518 . 0 0 "[ . 1 .]" 1
1283 1 21 HIS HA 1 21 HIS HB3 2.400 . 3.100 2.440 2.330 2.610 . 0 0 "[ . 1 .]" 1
1284 1 23 SER HA 1 23 SER HB3 2.200 . 2.800 2.449 2.405 2.478 . 0 0 "[ . 1 .]" 1
1285 1 14 PHE HB3 1 86 ALA HA 2.700 . 3.600 2.578 2.445 2.793 . 0 0 "[ . 1 .]" 1
1286 1 21 HIS HA 1 21 HIS HB2 2.700 . 3.600 2.668 2.307 3.021 . 0 0 "[ . 1 .]" 1
1287 1 14 PHE QD 1 86 ALA HA 4.100 . 6.000 4.164 4.049 4.345 . 0 0 "[ . 1 .]" 1
1288 1 44 THR MG 1 50 LYS HA 3.400 . 4.900 3.519 3.226 3.812 . 0 0 "[ . 1 .]" 1
1289 1 39 GLU HA 1 39 GLU HB2 2.400 . 3.100 2.484 2.427 2.710 . 0 0 "[ . 1 .]" 1
1290 1 3 MET HA 1 3 MET HB3 2.900 . 3.900 2.608 2.261 3.026 . 0 0 "[ . 1 .]" 1
1291 1 3 MET HA 1 3 MET HB2 2.700 . 3.600 2.768 2.452 3.030 . 0 0 "[ . 1 .]" 1
1292 1 39 GLU HA 1 39 GLU HB3 2.700 . 3.600 3.023 2.969 3.036 . 0 0 "[ . 1 .]" 1
1293 1 39 GLU HA 1 39 GLU HG2 3.000 . 4.100 3.481 2.389 3.850 . 0 0 "[ . 1 .]" 1
1294 1 59 MET HG3 1 65 ALA HA 2.200 . 2.800 1.863 1.678 2.854 0.054 11 0 "[ . 1 .]" 1
1295 1 59 MET HB2 1 65 ALA HA 4.000 . 6.000 3.638 3.535 3.813 . 0 0 "[ . 1 .]" 1
1296 1 50 LYS HA 1 50 LYS HB2 2.500 . 3.300 3.026 3.019 3.034 . 0 0 "[ . 1 .]" 1
1297 1 3 MET HA 1 3 MET HG2 3.300 . 4.700 3.142 2.448 3.945 . 0 0 "[ . 1 .]" 1
1298 1 38 GLU HB3 1 39 GLU HA 3.600 . 5.300 4.650 4.484 4.807 . 0 0 "[ . 1 .]" 1
1299 1 38 GLU HB2 1 39 GLU HA 4.600 . 6.000 5.306 4.690 5.902 . 0 0 "[ . 1 .]" 1
1300 1 22 THR MG 1 23 SER HA 3.700 . 5.400 3.739 3.626 3.882 . 0 0 "[ . 1 .]" 1
1301 1 93 ARG HA 1 93 ARG HB2 2.500 . 3.300 2.694 2.429 3.031 . 0 0 "[ . 1 .]" 1
1302 1 56 PHE HA 1 56 PHE QD 3.100 . 4.300 2.780 2.309 2.939 . 0 0 "[ . 1 .]" 1
1303 1 56 PHE HA 1 56 PHE HB2 3.000 . 4.100 3.004 2.993 3.012 . 0 0 "[ . 1 .]" 1
1304 1 6 ARG HA 1 6 ARG HG3 3.000 . 4.200 3.641 2.530 4.250 0.050 4 0 "[ . 1 .]" 1
1305 1 52 ARG HA 1 52 ARG HG2 2.700 . 3.600 2.511 2.426 2.606 . 0 0 "[ . 1 .]" 1
1306 1 20 TYR QE 1 52 ARG HA 3.300 . 4.700 3.386 2.962 3.800 . 0 0 "[ . 1 .]" 1
1307 1 52 ARG HA 1 52 ARG HB2 2.700 . 3.600 3.018 3.011 3.028 . 0 0 "[ . 1 .]" 1
1308 1 87 TYR QE 1 88 LEU HA 3.800 . 5.600 4.612 4.459 4.767 . 0 0 "[ . 1 .]" 1
1309 1 52 ARG HA 1 52 ARG HG3 3.000 . 4.100 3.245 2.974 3.504 . 0 0 "[ . 1 .]" 1
1310 1 87 TYR QD 1 88 LEU HA 3.500 . 5.000 4.214 4.140 4.272 . 0 0 "[ . 1 .]" 1
1311 1 52 ARG HA 1 52 ARG HD3 4.300 . 6.000 4.469 4.212 4.683 . 0 0 "[ . 1 .]" 1
1312 1 6 ARG HA 1 6 ARG HG2 3.000 . 4.100 3.498 2.562 4.246 0.146 14 0 "[ . 1 .]" 1
1313 1 6 ARG HA 1 8 THR MG 4.100 . 6.000 6.023 5.468 6.242 0.242 5 0 "[ . 1 .]" 1
1314 1 12 LYS HA 1 58 THR HA 2.500 . 3.300 2.417 2.167 2.582 . 0 0 "[ . 1 .]" 1
1315 1 12 LYS HA 1 12 LYS HD2 4.300 . 6.000 4.358 4.253 4.450 . 0 0 "[ . 1 .]" 1
1316 1 12 LYS HA 1 12 LYS HG3 3.100 . 4.300 2.668 2.622 2.719 . 0 0 "[ . 1 .]" 1
1317 1 85 LEU HA 1 85 LEU HB2 2.800 . 3.800 3.020 3.012 3.028 . 0 0 "[ . 1 .]" 1
1318 1 85 LEU HA 1 87 TYR QD 4.700 . 6.000 4.211 4.103 4.347 . 0 0 "[ . 1 .]" 1
1319 1 85 LEU HA 1 87 TYR QE 5.200 . 6.000 4.869 4.581 5.261 . 0 0 "[ . 1 .]" 1
1320 1 13 ILE HA 1 85 LEU HA 2.400 . 3.100 2.324 2.170 2.561 . 0 0 "[ . 1 .]" 1
1321 1 45 ASP HB3 1 49 GLN HA 4.200 . 6.000 4.140 3.680 4.511 . 0 0 "[ . 1 .]" 1
1322 1 44 THR HB 1 49 GLN HA 2.300 . 3.000 2.335 2.116 2.589 . 0 0 "[ . 1 .]" 1
1323 1 45 ASP HB2 1 49 GLN HA 4.900 . 6.000 5.523 5.052 5.876 . 0 0 "[ . 1 .]" 1
1324 1 80 LYS HA 1 80 LYS HB2 2.400 . 3.100 2.434 2.402 2.464 . 0 0 "[ . 1 .]" 1
1325 1 97 GLN HA 2 7 DC H1' 3.100 . 6.000 5.660 4.147 6.096 0.096 15 0 "[ . 1 .]" 1
1326 1 38 GLU HA 1 38 GLU HB2 2.500 . 3.300 2.860 2.572 3.024 . 0 0 "[ . 1 .]" 1
1327 1 38 GLU HA 1 60 LYS QG 3.800 . 5.600 4.532 3.818 4.999 . 0 0 "[ . 1 .]" 1
1328 1 14 PHE HA 1 14 PHE QD 3.200 . 4.400 2.599 2.481 2.793 . 0 0 "[ . 1 .]" 1
1329 1 80 LYS HA 1 80 LYS HB3 3.100 . 4.300 2.895 1.935 2.972 . 0 0 "[ . 1 .]" 1
1330 1 14 PHE HA 1 56 PHE HA 3.100 . 4.300 3.010 2.934 3.128 . 0 0 "[ . 1 .]" 1
1331 1 10 PHE HA 1 11 THR MG 4.300 . 6.000 4.730 4.592 4.837 . 0 0 "[ . 1 .]" 1
1332 1 10 PHE HA 1 10 PHE QB 2.500 . 3.300 2.412 2.345 2.441 . 0 0 "[ . 1 .]" 1
1333 1 10 PHE HA 1 10 PHE QE 3.900 . 5.800 4.607 4.527 4.727 . 0 0 "[ . 1 .]" 1
1334 1 10 PHE HA 1 10 PHE QD 2.800 . 3.800 2.959 2.801 3.097 . 0 0 "[ . 1 .]" 1
1335 1 10 PHE HA 1 85 LEU MD2 2.700 . 3.600 2.801 2.429 3.132 . 0 0 "[ . 1 .]" 1
1336 1 9 MET HG2 1 10 PHE HA 4.100 . 6.000 4.851 3.611 6.059 0.059 4 0 "[ . 1 .]" 1
1337 1 14 PHE HA 2 5 DT H1' 4.200 . 6.000 5.778 5.352 5.970 . 0 0 "[ . 1 .]" 1
1338 1 24 ASP HA 1 24 ASP HB2 2.900 . 3.900 3.019 3.012 3.025 . 0 0 "[ . 1 .]" 1
1339 1 24 ASP HA 1 24 ASP HB3 2.400 . 3.100 2.385 2.365 2.419 . 0 0 "[ . 1 .]" 1
1340 1 46 ARG HA 1 47 ASN HA 3.000 . 6.000 4.618 4.537 4.716 . 0 0 "[ . 1 .]" 1
1341 1 27 LEU HA 1 27 LEU HB2 2.600 . 3.500 3.015 3.009 3.019 . 0 0 "[ . 1 .]" 1
1342 1 51 SER HA 1 51 SER HB3 2.400 . 3.100 2.480 2.326 3.029 . 0 0 "[ . 1 .]" 1
1343 1 51 SER HA 1 51 SER HB2 2.300 . 3.000 2.864 2.462 3.031 0.031 13 0 "[ . 1 .]" 1
1344 1 45 ASP HB3 1 46 ARG HA 4.100 . 6.000 5.438 5.315 5.547 . 0 0 "[ . 1 .]" 1
1345 1 27 LEU HA 1 30 TYR HB2 3.800 . 5.600 3.819 3.396 4.290 . 0 0 "[ . 1 .]" 1
1346 1 27 LEU HA 1 27 LEU HG 3.000 . 4.200 3.125 3.089 3.162 . 0 0 "[ . 1 .]" 1
1347 1 22 THR MG 1 27 LEU HA 3.800 . 5.600 4.169 3.985 4.328 . 0 0 "[ . 1 .]" 1
1348 1 5 SER HA 1 5 SER HB2 2.400 . 3.100 2.821 2.466 3.033 . 0 0 "[ . 1 .]" 1
1349 1 27 LEU HA 1 30 TYR HB3 3.200 . 4.500 3.259 3.094 3.415 . 0 0 "[ . 1 .]" 1
1350 1 27 LEU HA 1 76 ILE MD 3.800 . 5.600 3.773 3.413 4.141 . 0 0 "[ . 1 .]" 1
1351 1 5 SER HA 1 5 SER HB3 2.400 . 3.100 2.580 2.355 3.036 . 0 0 "[ . 1 .]" 1
1352 1 45 ASP HA 1 46 ARG HA 3.900 . 5.800 4.282 4.222 4.338 . 0 0 "[ . 1 .]" 1
1353 1 34 PHE HA 1 34 PHE QB 3.100 . 3.900 2.389 2.355 2.415 . 0 0 "[ . 1 .]" 1
1354 1 34 PHE HA 1 34 PHE QD 3.000 . 4.100 3.103 3.010 3.159 . 0 0 "[ . 1 .]" 1
1355 1 34 PHE HA 1 68 ALA MB 4.600 . 6.000 5.340 4.938 5.565 . 0 0 "[ . 1 .]" 1
1356 1 34 PHE HA 1 67 ARG HB2 4.300 . 6.000 4.538 4.280 4.825 . 0 0 "[ . 1 .]" 1
1357 1 34 PHE HA 1 67 ARG HB3 4.100 . 6.000 5.112 4.698 5.453 . 0 0 "[ . 1 .]" 1
1358 1 46 ARG HA 1 49 GLN QG 3.000 . 4.100 3.799 3.263 4.140 0.040 3 0 "[ . 1 .]" 1
1359 1 41 VAL HA 1 42 VAL HB 4.000 . 6.000 4.720 4.652 4.785 . 0 0 "[ . 1 .]" 1
1360 1 44 THR HA 1 45 ASP HB3 5.100 . 6.000 4.686 4.580 4.841 . 0 0 "[ . 1 .]" 1
1361 1 44 THR HA 1 52 ARG HG2 3.800 . 5.600 3.806 2.937 4.193 . 0 0 "[ . 1 .]" 1
1362 1 44 THR HA 1 44 THR MG 2.300 . 3.000 2.350 2.299 2.415 . 0 0 "[ . 1 .]" 1
1363 1 44 THR HA 1 44 THR HB 2.200 . 2.800 2.507 2.469 2.550 . 0 0 "[ . 1 .]" 1
1364 1 44 THR HA 1 51 SER HA 2.200 . 2.800 2.436 2.224 2.809 0.009 15 0 "[ . 1 .]" 1
1365 1 44 THR HA 1 52 ARG HG3 2.900 . 3.900 2.463 2.061 2.761 . 0 0 "[ . 1 .]" 1
1366 1 44 THR HA 1 49 GLN HA 3.800 . 5.600 4.550 4.375 4.810 . 0 0 "[ . 1 .]" 1
1367 1 44 THR HA 1 52 ARG HD2 4.100 . 6.000 4.187 3.604 4.731 . 0 0 "[ . 1 .]" 1
1368 1 44 THR HA 1 51 SER HB3 4.100 . 6.000 4.828 4.494 5.457 . 0 0 "[ . 1 .]" 1
1369 1 60 LYS HA 1 60 LYS HB3 2.600 . 3.500 3.015 2.999 3.030 . 0 0 "[ . 1 .]" 1
1370 1 11 THR MG 1 60 LYS HA 2.600 . 6.000 4.194 3.979 4.449 . 0 0 "[ . 1 .]" 1
1371 1 24 ASP HB3 1 41 VAL HA 3.100 . 4.300 2.210 2.023 2.611 . 0 0 "[ . 1 .]" 1
1372 1 24 ASP HB2 1 41 VAL HA 5.000 . 6.000 3.836 3.661 4.124 . 0 0 "[ . 1 .]" 1
1373 1 70 LYS HA 1 70 LYS HG2 2.900 . 4.000 3.167 2.297 3.771 . 0 0 "[ . 1 .]" 1
1374 1 70 LYS HA 1 70 LYS HG3 3.100 . 4.300 3.264 2.917 3.704 . 0 0 "[ . 1 .]" 1
1375 1 25 LYS HA 1 28 HIS QB 2.500 . 3.300 2.356 2.093 2.584 . 0 0 "[ . 1 .]" 1
1376 1 25 LYS HA 1 25 LYS QE 4.200 . 6.000 4.310 3.804 4.609 . 0 0 "[ . 1 .]" 1
1377 1 70 LYS HA 1 70 LYS HB3 2.600 . 3.500 3.008 2.930 3.028 . 0 0 "[ . 1 .]" 1
1378 1 70 LYS HA 1 71 ASP HA 3.700 . 5.500 4.516 4.469 4.597 . 0 0 "[ . 1 .]" 1
1379 1 69 CYS HA 1 70 LYS HA 3.700 . 5.400 4.771 4.700 4.816 . 0 0 "[ . 1 .]" 1
1380 1 9 MET HA 1 87 TYR HA 4.700 . 6.000 5.139 4.685 5.649 . 0 0 "[ . 1 .]" 1
1381 1 87 TYR HA 1 87 TYR QE 4.800 . 6.000 5.645 5.626 5.672 . 0 0 "[ . 1 .]" 1
1382 1 66 GLU HA 1 69 CYS HB3 4.200 . 6.000 4.157 3.999 4.361 . 0 0 "[ . 1 .]" 1
1383 1 87 TYR HA 1 87 TYR HB3 2.400 . 3.100 2.569 2.535 2.614 . 0 0 "[ . 1 .]" 1
1384 1 87 TYR HA 1 87 TYR QD 3.300 . 4.700 3.717 3.695 3.740 . 0 0 "[ . 1 .]" 1
1385 1 68 ALA MB 1 69 CYS HA 4.000 . 6.000 3.836 3.794 3.885 . 0 0 "[ . 1 .]" 1
1386 1 66 GLU HA 1 66 GLU HB3 2.500 . 3.300 2.969 2.536 3.019 . 0 0 "[ . 1 .]" 1
1387 1 69 CYS HA 1 69 CYS HB3 2.400 . 3.100 2.448 2.427 2.468 . 0 0 "[ . 1 .]" 1
1388 1 75 ILE HA 1 75 ILE MD 2.500 . 3.300 2.023 1.937 2.121 . 0 0 "[ . 1 .]" 1
1389 1 66 GLU HA 1 69 CYS HB2 2.700 . 3.600 2.487 2.329 2.688 . 0 0 "[ . 1 .]" 1
1390 1 9 MET HA 1 12 LYS HB2 4.300 . 6.000 5.364 4.979 5.789 . 0 0 "[ . 1 .]" 1
1391 1 9 MET HA 1 87 TYR QE 4.400 . 6.000 5.209 4.930 5.478 . 0 0 "[ . 1 .]" 1
1392 1 67 ARG HA 1 70 LYS HB2 2.800 . 3.800 2.697 2.322 3.145 . 0 0 "[ . 1 .]" 1
1393 1 9 MET HA 1 87 TYR HB3 2.900 . 4.000 2.720 2.311 3.203 . 0 0 "[ . 1 .]" 1
1394 1 9 MET HA 1 87 TYR QD 3.400 . 4.900 3.964 3.735 4.199 . 0 0 "[ . 1 .]" 1
1395 1 67 ARG HA 1 67 ARG HB3 2.600 . 3.400 2.460 2.428 2.488 . 0 0 "[ . 1 .]" 1
1396 1 34 PHE QD 1 67 ARG HA 4.000 . 6.000 4.300 4.036 4.481 . 0 0 "[ . 1 .]" 1
1397 1 9 MET HA 1 87 TYR HB2 3.600 . 5.200 3.762 3.494 4.406 . 0 0 "[ . 1 .]" 1
1398 1 67 ARG HA 1 68 ALA MB 4.500 . 6.000 5.007 4.986 5.026 . 0 0 "[ . 1 .]" 1
1399 1 67 ARG HA 1 67 ARG HD3 3.200 . 4.500 3.648 2.112 4.571 0.071 3 0 "[ . 1 .]" 1
1400 1 57 VAL HA 1 58 THR MG 4.900 . 6.000 5.433 5.404 5.460 . 0 0 "[ . 1 .]" 1
1401 1 40 ALA MB 1 57 VAL HA 3.200 . 4.500 3.310 3.151 3.547 . 0 0 "[ . 1 .]" 1
1402 1 40 ALA HA 1 57 VAL HA 2.400 . 3.100 2.288 2.231 2.324 . 0 0 "[ . 1 .]" 1
1403 1 28 HIS HA 1 28 HIS HD2 3.600 . 5.200 3.342 2.722 3.753 . 0 0 "[ . 1 .]" 1
1404 1 20 TYR HA 1 20 TYR QE 4.600 . 6.000 4.423 4.305 4.555 . 0 0 "[ . 1 .]" 1
1405 1 28 HIS HA 1 31 PHE HB2 4.600 . 6.000 3.826 3.617 4.073 . 0 0 "[ . 1 .]" 1
1406 1 67 ARG HA 1 67 ARG HB2 2.800 . 3.800 3.024 3.011 3.030 . 0 0 "[ . 1 .]" 1
1407 1 28 HIS HA 1 28 HIS QB 2.200 . 2.800 2.378 2.331 2.434 . 0 0 "[ . 1 .]" 1
1408 1 20 TYR HA 1 51 SER HB3 3.200 . 4.500 3.371 2.934 4.155 . 0 0 "[ . 1 .]" 1
1409 1 57 VAL HA 1 58 THR HB 4.400 . 6.000 4.731 4.653 4.812 . 0 0 "[ . 1 .]" 1
1410 1 15 VAL HA 1 83 VAL HA 2.900 . 3.900 2.718 2.608 2.890 . 0 0 "[ . 1 .]" 1
1411 1 27 LEU MD1 1 28 HIS HA 4.200 . 6.000 5.747 5.690 5.818 . 0 0 "[ . 1 .]" 1
1412 1 8 THR HA 1 12 LYS HB2 3.500 . 5.000 3.378 3.182 3.740 . 0 0 "[ . 1 .]" 1
1413 1 8 THR HA 1 11 THR MG 3.900 . 5.800 3.884 3.674 4.121 . 0 0 "[ . 1 .]" 1
1414 1 8 THR HA 1 12 LYS HB3 3.600 . 5.300 4.228 3.830 4.766 . 0 0 "[ . 1 .]" 1
1415 1 7 ASP QB 1 8 THR HA 3.000 . 6.000 4.203 3.851 4.404 . 0 0 "[ . 1 .]" 1
1416 1 8 THR HA 1 58 THR MG 3.400 . 4.900 3.716 3.336 3.867 . 0 0 "[ . 1 .]" 1
1417 1 8 THR HA 1 12 LYS HG3 4.800 . 6.000 5.721 5.192 6.065 0.065 5 0 "[ . 1 .]" 1
1418 1 8 THR HA 1 9 MET HB3 4.600 . 6.000 5.535 5.166 5.849 . 0 0 "[ . 1 .]" 1
1419 1 8 THR HA 1 12 LYS HD3 5.000 . 6.000 5.567 5.103 6.343 0.343 9 0 "[ . 1 .]" 1
1420 1 30 TYR QE 1 76 ILE HA 3.700 . 5.400 3.981 2.994 5.063 . 0 0 "[ . 1 .]" 1
1421 1 82 ASN QB 1 83 VAL HA 3.600 . 5.200 4.307 4.114 4.818 . 0 0 "[ . 1 .]" 1
1422 1 11 THR HA 1 85 LEU MD2 3.400 . 4.900 3.801 3.588 3.980 . 0 0 "[ . 1 .]" 1
1423 1 37 ILE HA 1 40 ALA MB 4.900 . 6.000 5.215 4.951 5.335 . 0 0 "[ . 1 .]" 1
1424 1 37 ILE HA 1 38 GLU HB3 4.500 . 6.000 5.329 4.663 5.664 . 0 0 "[ . 1 .]" 1
1425 1 11 THR HA 1 11 THR HB 2.300 . 2.900 2.541 2.501 2.578 . 0 0 "[ . 1 .]" 1
1426 1 37 ILE HA 1 59 MET ME 3.200 . 4.500 3.441 3.255 3.627 . 0 0 "[ . 1 .]" 1
1427 1 11 THR HA 1 62 ARG HA 2.900 . 3.900 3.253 2.774 3.554 . 0 0 "[ . 1 .]" 1
1428 1 11 THR HB 1 58 THR HA 3.500 . 5.000 4.009 3.665 4.349 . 0 0 "[ . 1 .]" 1
1429 1 39 GLU QB 1 58 THR HA 4.300 . 6.000 5.133 4.604 5.481 . 0 0 "[ . 1 .]" 1
1430 1 57 VAL HB 1 58 THR HA 3.100 . 6.000 4.953 4.799 5.092 . 0 0 "[ . 1 .]" 1
1431 1 48 THR HA 1 50 LYS QD 4.400 . 6.000 5.475 4.918 5.992 . 0 0 "[ . 1 .]" 1
1432 1 94 THR HA 1 94 THR HB 2.300 . 3.000 2.544 2.392 3.022 0.022 10 0 "[ . 1 .]" 1
1433 1 64 SER HA 1 67 ARG HG3 3.500 . 5.100 3.366 2.636 4.197 . 0 0 "[ . 1 .]" 1
1434 1 13 ILE HA 1 14 PHE HB3 4.700 . 6.000 4.574 4.505 4.634 . 0 0 "[ . 1 .]" 1
1435 1 31 PHE HA 1 34 PHE QD 2.700 . 3.600 2.275 1.979 2.469 . 0 0 "[ . 1 .]" 1
1436 1 31 PHE HA 1 31 PHE QD 3.100 . 4.300 2.844 2.498 3.030 . 0 0 "[ . 1 .]" 1
1437 1 64 SER HA 1 64 SER HB3 2.500 . 3.300 2.418 2.279 2.464 . 0 0 "[ . 1 .]" 1
1438 1 31 PHE HA 1 31 PHE HB2 2.700 . 3.600 2.999 2.989 3.007 . 0 0 "[ . 1 .]" 1
1439 1 31 PHE HA 1 34 PHE QE 3.300 . 4.600 2.756 2.548 3.044 . 0 0 "[ . 1 .]" 1
1440 1 64 SER HA 1 64 SER HB2 2.900 . 4.000 3.001 2.619 3.032 . 0 0 "[ . 1 .]" 1
1441 1 13 ILE HA 1 14 PHE HB2 4.200 . 6.000 4.697 4.606 4.805 . 0 0 "[ . 1 .]" 1
1442 1 29 GLU QB 1 30 TYR HA 2.900 . 6.000 4.014 3.640 4.596 . 0 0 "[ . 1 .]" 1
1443 1 18 LEU HB3 1 42 VAL HA 4.100 . 6.000 6.227 6.052 6.451 0.451 7 0 "[ . 1 .]" 1
1444 1 42 VAL HA 1 55 GLY HA2 3.000 . 4.100 2.696 2.520 2.827 . 0 0 "[ . 1 .]" 1
1445 1 30 TYR HA 1 30 TYR QD 3.300 . 4.700 2.873 2.664 3.027 . 0 0 "[ . 1 .]" 1
1446 1 27 LEU MD1 1 42 VAL HA 3.100 . 4.300 2.620 2.464 2.706 . 0 0 "[ . 1 .]" 1
1447 1 18 LEU MD1 1 42 VAL HA 3.800 . 5.600 3.734 3.585 3.941 . 0 0 "[ . 1 .]" 1
1448 1 42 VAL HA 1 43 ILE HB 4.700 . 6.000 4.608 4.533 4.647 . 0 0 "[ . 1 .]" 1
1449 1 73 ASN HA 1 74 PRO HA 3.700 . 5.400 4.691 4.649 4.744 . 0 0 "[ . 1 .]" 1
1450 1 59 MET HG3 1 64 SER HB2 3.300 . 4.700 3.853 3.575 4.760 0.060 11 0 "[ . 1 .]" 1
1451 1 59 MET HG3 1 64 SER HB3 3.800 . 5.600 4.552 4.156 5.398 . 0 0 "[ . 1 .]" 1
1452 1 35 GLY HA3 1 64 SER HB3 2.600 . 3.500 2.479 1.517 3.134 0.183 4 0 "[ . 1 .]" 1
1453 1 59 MET HB3 1 64 SER HB2 2.700 . 3.600 2.775 2.572 3.192 . 0 0 "[ . 1 .]" 1
1454 1 59 MET HB3 1 64 SER HB3 3.500 . 5.000 3.941 3.567 4.456 . 0 0 "[ . 1 .]" 1
1455 1 74 PRO HA 1 74 PRO HD3 3.500 . 5.000 3.852 3.683 3.930 . 0 0 "[ . 1 .]" 1
1456 1 74 PRO HA 1 74 PRO HB2 2.600 . 3.500 2.836 2.691 2.922 . 0 0 "[ . 1 .]" 1
1457 1 74 PRO HA 1 74 PRO HB3 2.400 . 3.100 2.278 2.258 2.308 . 0 0 "[ . 1 .]" 1
1458 1 92 PRO HA 1 94 THR MG 3.800 . 5.600 4.804 3.832 5.675 0.075 10 0 "[ . 1 .]" 1
1459 1 92 PRO HA 1 92 PRO HD3 3.600 . 5.200 3.751 3.427 3.921 . 0 0 "[ . 1 .]" 1
1460 1 74 PRO HA 1 75 ILE MD 4.800 . 6.000 4.374 4.202 4.614 . 0 0 "[ . 1 .]" 1
1461 1 72 PRO HA 1 72 PRO QG 3.700 . 5.400 3.499 3.492 3.505 . 0 0 "[ . 1 .]" 1
1462 1 5 SER HA 1 5 SER QB 2.100 . 2.700 2.327 2.175 2.404 . 0 0 "[ . 1 .]" 1
1463 1 20 TYR HB2 1 51 SER HB2 5.000 . 6.000 4.764 4.046 5.896 . 0 0 "[ . 1 .]" 1
1464 1 20 TYR HB3 1 51 SER HB3 3.700 . 5.400 3.992 2.717 4.550 . 0 0 "[ . 1 .]" 1
1465 1 20 TYR HB3 1 51 SER HB2 3.600 . 5.200 3.159 2.298 4.325 . 0 0 "[ . 1 .]" 1
1466 1 44 THR MG 1 51 SER HB2 3.600 . 5.300 3.742 2.667 4.095 . 0 0 "[ . 1 .]" 1
1467 1 20 TYR QD 1 51 SER HB3 3.400 . 4.900 3.497 2.552 4.488 . 0 0 "[ . 1 .]" 1
1468 1 20 TYR QD 1 51 SER HB2 3.700 . 5.400 2.995 2.217 4.874 . 0 0 "[ . 1 .]" 1
1469 1 25 LYS HB2 1 26 THR HA 3.000 . 6.000 5.599 5.541 5.641 . 0 0 "[ . 1 .]" 1
1470 1 26 THR HA 1 26 THR HB 2.400 . 3.100 3.029 3.022 3.036 . 0 0 "[ . 1 .]" 1
1471 1 21 HIS HD2 1 22 THR HA 2.800 . 6.000 5.702 4.235 6.207 0.207 4 0 "[ . 1 .]" 1
1472 1 22 THR HA 1 22 THR HB 2.700 . 3.600 3.026 3.017 3.032 . 0 0 "[ . 1 .]" 1
1473 1 19 PRO HG3 1 22 THR HA 4.900 . 6.000 5.727 5.576 5.930 . 0 0 "[ . 1 .]" 1
1474 1 22 THR HA 1 26 THR HB 3.800 . 5.600 3.657 3.348 3.942 . 0 0 "[ . 1 .]" 1
1475 1 25 LYS HA 1 26 THR HB 2.800 . 6.000 5.907 5.812 5.976 . 0 0 "[ . 1 .]" 1
1476 1 19 PRO HB2 1 22 THR HB 4.200 . 6.000 5.130 4.851 5.454 . 0 0 "[ . 1 .]" 1
1477 1 18 LEU MD2 1 22 THR HB 3.700 . 5.400 3.740 3.538 4.029 . 0 0 "[ . 1 .]" 1
1478 1 18 LEU HB2 1 22 THR HB 3.800 . 5.600 4.246 3.983 4.623 . 0 0 "[ . 1 .]" 1
1479 1 8 THR HB 1 12 LYS HB2 2.500 . 3.300 1.990 1.663 2.792 0.037 11 0 "[ . 1 .]" 1
1480 1 8 THR HB 1 8 THR MG 2.100 . 2.600 2.131 2.125 2.136 . 0 0 "[ . 1 .]" 1
1481 1 8 THR HB 1 12 LYS HB3 2.500 . 3.300 2.744 2.063 3.359 0.059 5 0 "[ . 1 .]" 1
1482 1 8 THR HB 1 12 LYS HD3 3.200 . 4.500 3.133 2.640 4.100 . 0 0 "[ . 1 .]" 1
1483 1 8 THR HB 1 58 THR MG 3.300 . 6.000 4.164 3.592 4.711 . 0 0 "[ . 1 .]" 1
1484 1 8 THR HB 1 12 LYS HG3 4.500 . 6.000 3.975 3.484 4.681 . 0 0 "[ . 1 .]" 1
1485 1 8 THR HB 1 12 LYS HD2 3.200 . 4.500 2.650 2.340 3.160 . 0 0 "[ . 1 .]" 1
1486 1 38 GLU HA 1 58 THR HB 4.200 . 6.000 5.029 4.786 5.240 . 0 0 "[ . 1 .]" 1
1487 1 39 GLU HA 1 58 THR HB 4.100 . 6.000 4.727 4.526 4.871 . 0 0 "[ . 1 .]" 1
1488 1 8 THR MG 1 58 THR HB 2.800 . 6.000 4.863 4.525 5.453 . 0 0 "[ . 1 .]" 1
1489 1 39 GLU HB3 1 58 THR HB 2.700 . 3.600 2.723 2.232 2.956 . 0 0 "[ . 1 .]" 1
1490 1 39 GLU HB2 1 58 THR HB 3.400 . 4.900 3.818 3.174 4.218 . 0 0 "[ . 1 .]" 1
1491 1 11 THR HB 1 59 MET HB2 3.300 . 4.700 3.639 3.344 4.068 . 0 0 "[ . 1 .]" 1
1492 1 48 THR HA 1 48 THR HB 2.000 . 2.500 2.515 2.503 2.530 0.030 13 0 "[ . 1 .]" 1
1493 1 48 THR HB 1 50 LYS HE2 4.300 . 6.000 4.309 2.082 5.728 . 0 0 "[ . 1 .]" 1
1494 1 48 THR HB 1 50 LYS HB2 4.500 . 6.000 3.851 3.387 4.369 . 0 0 "[ . 1 .]" 1
1495 1 48 THR HB 1 50 LYS QG 2.600 . 3.400 2.105 1.968 2.254 . 0 0 "[ . 1 .]" 1
1496 1 48 THR HB 1 49 GLN QG 4.400 . 6.000 5.238 5.113 5.320 . 0 0 "[ . 1 .]" 1
1497 1 48 THR HB 1 50 LYS HB3 4.500 . 6.000 4.862 4.594 5.047 . 0 0 "[ . 1 .]" 1
1498 1 48 THR HB 1 50 LYS HE3 4.400 . 6.000 4.807 2.618 6.012 0.012 7 0 "[ . 1 .]" 1
1499 1 44 THR HB 1 52 ARG HG2 5.100 . 6.000 5.756 4.826 6.052 0.052 5 0 "[ . 1 .]" 1
1500 1 44 THR HB 1 45 ASP HB3 4.300 . 6.000 4.461 4.209 4.754 . 0 0 "[ . 1 .]" 1
1501 1 44 THR HB 1 51 SER HA 3.400 . 4.800 3.695 3.491 3.831 . 0 0 "[ . 1 .]" 1
1502 1 44 THR HB 1 49 GLN QG 4.300 . 6.000 4.380 4.177 4.668 . 0 0 "[ . 1 .]" 1
1503 1 20 TYR QE 1 53 GLY HA3 3.200 . 4.400 2.546 2.273 3.073 . 0 0 "[ . 1 .]" 1
1504 1 20 TYR QE 1 53 GLY HA2 3.300 . 4.700 3.343 2.927 4.221 . 0 0 "[ . 1 .]" 1
1505 1 20 TYR QE 2 1 DG H1' 3.500 . 5.000 3.487 2.390 4.318 . 0 0 "[ . 1 .]" 1
1506 1 20 TYR QE 1 54 TYR QE 3.800 . 6.000 6.062 5.954 6.117 0.117 9 0 "[ . 1 .]" 1
1507 1 20 TYR HB2 1 20 TYR QE 4.600 . 6.000 4.389 4.379 4.400 . 0 0 "[ . 1 .]" 1
1508 1 30 TYR QE 1 34 PHE QE 3.400 . 4.800 3.459 2.811 4.027 . 0 0 "[ . 1 .]" 1
1509 1 30 TYR QE 1 31 PHE QE 3.800 . 5.600 4.885 3.999 5.386 . 0 0 "[ . 1 .]" 1
1510 1 30 TYR QE 1 74 PRO HB3 3.700 . 5.400 2.493 2.166 3.028 . 0 0 "[ . 1 .]" 1
1511 1 30 TYR QE 1 68 ALA HA 4.600 . 6.000 5.634 4.749 6.025 0.025 6 0 "[ . 1 .]" 1
1512 1 30 TYR QE 1 74 PRO QG 4.500 . 6.000 3.303 2.837 3.842 . 0 0 "[ . 1 .]" 1
1513 1 30 TYR QE 1 74 PRO HA 4.900 . 6.000 4.376 4.134 4.660 . 0 0 "[ . 1 .]" 1
1514 1 30 TYR QE 1 31 PHE HZ 4.100 . 6.000 5.331 4.350 5.920 . 0 0 "[ . 1 .]" 1
1515 1 30 TYR QE 1 31 PHE QD 4.500 . 6.000 5.230 4.438 5.756 . 0 0 "[ . 1 .]" 1
1516 1 30 TYR HA 1 30 TYR QE 4.200 . 6.000 4.551 4.515 4.603 . 0 0 "[ . 1 .]" 1
1517 1 52 ARG HB2 1 54 TYR QE 3.100 . 4.300 3.154 2.550 3.508 . 0 0 "[ . 1 .]" 1
1518 1 54 TYR QE 2 4 DG H1' 3.000 . 6.000 5.412 4.560 5.882 . 0 0 "[ . 1 .]" 1
1519 1 43 ILE MD 1 54 TYR QE 5.000 . 6.000 4.286 4.068 4.478 . 0 0 "[ . 1 .]" 1
1520 1 87 TYR QE 1 88 LEU HB3 4.200 . 6.000 5.422 5.227 5.735 . 0 0 "[ . 1 .]" 1
1521 1 85 LEU HB2 1 87 TYR QE 2.800 . 3.800 2.496 2.159 2.960 . 0 0 "[ . 1 .]" 1
1522 1 85 LEU HB3 1 87 TYR QE 3.000 . 4.100 2.490 2.185 2.853 . 0 0 "[ . 1 .]" 1
1523 1 10 PHE QE 1 87 TYR QE 3.300 . 4.700 3.882 3.748 3.997 . 0 0 "[ . 1 .]" 1
1524 1 10 PHE HA 1 87 TYR QE 3.500 . 5.000 3.584 3.019 3.821 . 0 0 "[ . 1 .]" 1
1525 1 10 PHE QD 1 87 TYR QE 2.500 . 6.000 3.866 3.410 4.267 . 0 0 "[ . 1 .]" 1
1526 1 21 HIS HB2 1 21 HIS HD2 3.400 . 4.900 3.397 2.685 3.973 . 0 0 "[ . 1 .]" 1
1527 1 14 PHE HZ 2 4 DG H8 4.300 . 6.000 4.668 3.382 5.415 . 0 0 "[ . 1 .]" 1
1528 1 56 PHE HZ 2 6 DG H5'' 4.600 . 6.000 6.028 5.865 6.094 0.094 15 0 "[ . 1 .]" 1
1529 1 54 TYR QD 1 56 PHE HZ 3.300 . 6.000 4.840 4.331 5.269 . 0 0 "[ . 1 .]" 1
1530 1 56 PHE HZ 2 5 DT H1' 2.100 . 2.700 1.566 1.479 1.840 0.021 11 0 "[ . 1 .]" 1
1531 1 54 TYR QE 1 56 PHE HZ 3.600 . 5.200 4.495 3.969 5.027 . 0 0 "[ . 1 .]" 1
1532 1 14 PHE QD 1 56 PHE HZ 3.800 . 5.600 2.749 2.465 2.951 . 0 0 "[ . 1 .]" 1
1533 1 56 PHE HZ 2 6 DG H5' 3.900 . 5.800 4.624 4.296 4.787 . 0 0 "[ . 1 .]" 1
1534 1 56 PHE HZ 2 5 DT H4' 3.700 . 5.400 4.186 3.693 4.736 . 0 0 "[ . 1 .]" 1
1535 1 56 PHE HZ 2 5 DT H2' 5.900 . 6.000 4.506 3.972 4.775 . 0 0 "[ . 1 .]" 1
1536 1 14 PHE HB3 1 56 PHE HZ 5.500 . 6.000 5.700 5.505 5.965 . 0 0 "[ . 1 .]" 1
1537 1 34 PHE HZ 1 68 ALA MB 4.000 . 6.000 4.002 3.768 4.254 . 0 0 "[ . 1 .]" 1
1538 1 56 PHE HB2 1 56 PHE QE 4.700 . 6.000 4.380 4.357 4.396 . 0 0 "[ . 1 .]" 1
1539 1 56 PHE QE 2 6 DG H5'' 4.400 . 6.000 4.402 4.164 4.641 . 0 0 "[ . 1 .]" 1
1540 1 56 PHE QE 1 86 ALA HA 4.300 . 6.000 4.113 3.775 4.606 . 0 0 "[ . 1 .]" 1
1541 1 56 PHE QE 2 6 DG H5' 3.300 . 4.700 2.716 2.464 2.975 . 0 0 "[ . 1 .]" 1
1542 1 54 TYR QE 1 56 PHE QE 3.300 . 4.700 2.971 2.509 3.634 . 0 0 "[ . 1 .]" 1
1543 1 13 ILE HA 1 56 PHE QE 4.600 . 6.000 5.770 5.542 6.037 0.037 14 0 "[ . 1 .]" 1
1544 1 56 PHE QE 2 5 DT H4' 3.200 . 4.500 3.967 3.463 4.476 . 0 0 "[ . 1 .]" 1
1545 1 56 PHE QE 2 6 DG H4' 3.700 . 5.400 4.664 4.289 4.954 . 0 0 "[ . 1 .]" 1
1546 1 43 ILE MD 1 56 PHE QE 3.800 . 5.600 3.316 3.189 3.470 . 0 0 "[ . 1 .]" 1
1547 1 30 TYR QE 1 34 PHE HZ 3.700 . 5.400 3.698 3.261 4.312 . 0 0 "[ . 1 .]" 1
1548 1 14 PHE QE 2 4 DG H1' 4.200 . 6.000 3.799 2.966 4.301 . 0 0 "[ . 1 .]" 1
1549 1 14 PHE QE 2 5 DT H1' 4.300 . 6.000 3.567 2.972 4.039 . 0 0 "[ . 1 .]" 1
1550 1 14 PHE QE 1 55 GLY HA3 4.700 . 6.000 6.233 6.021 6.592 0.592 2 4 "[ + .* *- .]" 1
1551 1 14 PHE QE 2 6 DG H5' 4.100 . 6.000 5.314 4.993 5.742 . 0 0 "[ . 1 .]" 1
1552 1 14 PHE QE 1 15 VAL HA 4.200 . 6.000 5.306 5.081 5.511 . 0 0 "[ . 1 .]" 1
1553 1 14 PHE HA 1 56 PHE QD 3.100 . 4.300 2.992 2.404 3.427 . 0 0 "[ . 1 .]" 1
1554 1 56 PHE QD 2 6 DG H5' 4.300 . 6.000 4.239 4.056 4.495 . 0 0 "[ . 1 .]" 1
1555 1 12 LYS HG2 1 56 PHE QD 3.700 . 5.400 2.939 2.539 3.449 . 0 0 "[ . 1 .]" 1
1556 1 56 PHE HB2 1 56 PHE QD 2.800 . 3.800 2.332 2.270 2.386 . 0 0 "[ . 1 .]" 1
1557 1 56 PHE QD 1 86 ALA HA 4.500 . 6.000 5.378 5.114 5.763 . 0 0 "[ . 1 .]" 1
1558 1 27 LEU HB3 1 31 PHE QE 3.300 . 4.700 3.671 3.337 3.994 . 0 0 "[ . 1 .]" 1
1559 1 14 PHE QD 2 5 DT H1' 3.200 . 4.500 3.415 2.979 3.759 . 0 0 "[ . 1 .]" 1
1560 1 20 TYR HA 1 20 TYR QD 2.400 . 3.100 2.281 2.090 2.558 . 0 0 "[ . 1 .]" 1
1561 1 20 TYR QD 1 21 HIS HD2 2.900 . 6.000 5.719 4.978 6.074 0.074 3 0 "[ . 1 .]" 1
1562 1 31 PHE HB3 1 34 PHE QD 4.800 . 6.000 3.950 3.612 4.224 . 0 0 "[ . 1 .]" 1
1563 1 31 PHE QD 1 34 PHE QD 3.600 . 5.300 3.961 3.591 4.327 . 0 0 "[ . 1 .]" 1
1564 1 13 ILE MD 1 31 PHE QD 3.200 . 4.500 2.942 2.686 3.551 . 0 0 "[ . 1 .]" 1
1565 1 31 PHE QD 1 59 MET ME 3.600 . 5.200 4.228 3.955 4.334 . 0 0 "[ . 1 .]" 1
1566 1 30 TYR QD 1 31 PHE QD 4.100 . 6.000 3.652 3.114 4.063 . 0 0 "[ . 1 .]" 1
1567 1 27 LEU HA 1 31 PHE QD 3.300 . 4.700 2.731 2.437 3.017 . 0 0 "[ . 1 .]" 1
1568 1 85 LEU HG 1 87 TYR QD 5.300 . 6.000 5.046 4.923 5.209 . 0 0 "[ . 1 .]" 1
1569 1 85 LEU HB2 1 87 TYR QD 3.500 . 5.000 3.085 2.802 3.423 . 0 0 "[ . 1 .]" 1
1570 1 87 TYR QD 1 90 ALA MB 4.000 . 6.000 4.948 4.559 5.203 . 0 0 "[ . 1 .]" 1
1571 2 1 DG H1' 2 1 DG H3' 3.500 . 5.000 3.868 3.793 3.910 . 0 0 "[ . 1 .]" 1
1572 2 1 DG H1' 2 1 DG H4' 2.700 . 3.600 3.410 3.321 3.520 . 0 0 "[ . 1 .]" 1
1573 2 1 DG H1' 2 1 DG H8 2.700 . 6.000 3.834 3.520 3.889 . 0 0 "[ . 1 .]" 1
1574 2 1 DG H3' 2 1 DG H4' 2.600 . 3.400 2.696 2.656 2.721 . 0 0 "[ . 1 .]" 1
1575 2 1 DG H3' 2 1 DG H5'' 2.700 . 3.600 2.747 2.475 3.307 . 0 0 "[ . 1 .]" 1
1576 2 1 DG H3' 2 1 DG H8 3.600 . 5.200 4.517 4.195 5.276 0.076 10 0 "[ . 1 .]" 1
1577 2 1 DG H4' 2 1 DG H5' 2.500 . 3.300 2.543 2.410 2.671 . 0 0 "[ . 1 .]" 1
1578 2 1 DG H1' 2 1 DG H5' 3.200 . 4.500 4.577 4.513 4.731 0.231 13 0 "[ . 1 .]" 1
1579 2 1 DG H3' 2 1 DG H5' 2.700 . 3.600 3.478 2.242 3.685 0.085 1 0 "[ . 1 .]" 1
1580 2 1 DG H5' 2 1 DG H8 2.700 . 3.600 3.560 3.358 3.682 0.082 7 0 "[ . 1 .]" 1
1581 2 1 DG H4' 2 1 DG H5'' 1.900 . 2.400 2.406 2.287 2.917 0.517 7 2 "[ . + 1 - .]" 1
1582 2 1 DG H4' 2 1 DG H8 3.600 . 5.200 4.640 4.351 4.798 . 0 0 "[ . 1 .]" 1
1583 2 2 DG H1' 2 2 DG H2'' 2.400 . 3.100 2.439 2.393 2.467 . 0 0 "[ . 1 .]" 1
1584 2 2 DG H1' 2 2 DG H3' 3.300 . 4.700 3.791 3.745 3.868 . 0 0 "[ . 1 .]" 1
1585 2 2 DG H1' 2 2 DG H8 2.900 . 3.900 3.736 3.601 3.879 . 0 0 "[ . 1 .]" 1
1586 2 2 DG H1' 2 3 DT H5' 3.500 . 5.000 4.038 3.085 4.926 . 0 0 "[ . 1 .]" 1
1587 2 2 DG H1' 2 2 DG H2' 2.900 . 3.900 3.064 3.052 3.072 . 0 0 "[ . 1 .]" 1
1588 2 2 DG H2' 2 2 DG H2'' 2.100 . 2.600 1.758 1.755 1.762 . 0 0 "[ . 1 .]" 1
1589 2 2 DG H2' 2 2 DG H3' 2.400 . 3.100 2.420 2.391 2.437 . 0 0 "[ . 1 .]" 1
1590 2 2 DG H2' 2 2 DG H8 2.200 . 2.800 2.162 2.020 2.293 . 0 0 "[ . 1 .]" 1
1591 2 2 DG H2' 2 3 DT H5' 4.200 . 6.000 5.561 4.978 6.075 0.075 2 0 "[ . 1 .]" 1
1592 2 2 DG H2'' 2 2 DG H3' 2.700 . 3.600 2.679 2.659 2.710 . 0 0 "[ . 1 .]" 1
1593 2 2 DG H2'' 2 2 DG H8 3.000 . 4.200 3.117 2.821 3.558 . 0 0 "[ . 1 .]" 1
1594 2 2 DG H2'' 2 3 DT H5' 3.900 . 5.800 5.247 4.547 5.806 0.006 13 0 "[ . 1 .]" 1
1595 2 2 DG H3' 2 2 DG H8 3.700 . 5.400 4.540 4.397 4.675 . 0 0 "[ . 1 .]" 1
1596 2 2 DG H3' 2 3 DT H5' 3.600 . 5.200 4.269 3.645 4.713 . 0 0 "[ . 1 .]" 1
1597 2 2 DG H1' 2 2 DG H4' 3.100 . 4.300 3.320 3.239 3.495 . 0 0 "[ . 1 .]" 1
1598 2 2 DG H2' 2 2 DG H4' 3.900 . 5.800 3.826 3.790 3.867 . 0 0 "[ . 1 .]" 1
1599 2 2 DG H3' 2 2 DG H4' 2.700 . 3.600 2.692 2.668 2.725 . 0 0 "[ . 1 .]" 1
1600 2 2 DG H4' 2 2 DG H8 4.100 . 6.000 5.399 5.112 5.635 . 0 0 "[ . 1 .]" 1
1601 2 2 DG H4' 2 3 DT H2' 3.700 . 5.400 5.401 5.127 5.493 0.093 8 0 "[ . 1 .]" 1
1602 2 3 DT H1' 2 3 DT H3' 3.900 . 5.800 3.814 3.755 3.874 . 0 0 "[ . 1 .]" 1
1603 2 3 DT H1' 2 3 DT H4' 2.900 . 3.900 3.352 3.259 3.521 . 0 0 "[ . 1 .]" 1
1604 2 3 DT H1' 2 3 DT H6 3.000 . 4.100 3.398 3.329 3.659 . 0 0 "[ . 1 .]" 1
1605 2 3 DT H1' 2 4 DG H3' 4.100 . 6.000 5.252 4.903 5.599 . 0 0 "[ . 1 .]" 1
1606 2 3 DT H1' 2 3 DT H2' 3.400 . 4.800 3.066 3.056 3.077 . 0 0 "[ . 1 .]" 1
1607 2 3 DT H2' 2 3 DT H2'' 2.700 . 3.600 1.761 1.758 1.766 0.042 12 0 "[ . 1 .]" 1
1608 2 3 DT H2' 2 3 DT H4' 3.500 . 5.000 3.825 3.767 3.874 . 0 0 "[ . 1 .]" 1
1609 2 3 DT H2' 2 3 DT Q5' 3.500 . 5.100 3.446 3.253 3.674 . 0 0 "[ . 1 .]" 1
1610 2 3 DT H2' 2 3 DT H6 2.800 . 3.800 3.588 1.925 3.792 . 0 0 "[ . 1 .]" 1
1611 2 3 DT H1' 2 3 DT H2'' 2.900 . 4.000 2.431 2.385 2.478 . 0 0 "[ . 1 .]" 1
1612 2 3 DT H2'' 2 3 DT Q5' 4.300 . 6.000 4.403 4.260 4.531 . 0 0 "[ . 1 .]" 1
1613 2 3 DT H2'' 2 3 DT H6 3.700 . 5.400 4.545 3.420 4.660 . 0 0 "[ . 1 .]" 1
1614 2 3 DT H3' 2 3 DT H4' 3.500 . 5.000 2.690 2.662 2.721 . 0 0 "[ . 1 .]" 1
1615 2 3 DT H3' 2 3 DT Q5' 3.200 . 4.400 2.590 2.326 2.767 . 0 0 "[ . 1 .]" 1
1616 2 3 DT H2'' 2 3 DT H4' 4.000 . 6.000 4.065 3.981 4.117 . 0 0 "[ . 1 .]" 1
1617 2 3 DT H4' 2 4 DG H1' 3.200 . 6.000 4.511 3.981 5.063 . 0 0 "[ . 1 .]" 1
1618 2 3 DT H4' 2 4 DG H3' 3.400 . 6.000 5.683 5.227 6.176 0.176 12 0 "[ . 1 .]" 1
1619 2 2 DG H3' 2 3 DT Q5' 3.700 . 5.400 3.971 3.405 4.304 . 0 0 "[ . 1 .]" 1
1620 2 3 DT H1' 2 3 DT Q5' 3.900 . 5.800 4.239 4.185 4.294 . 0 0 "[ . 1 .]" 1
1621 2 3 DT H4' 2 3 DT Q5' 2.300 . 2.900 2.147 2.119 2.172 . 0 0 "[ . 1 .]" 1
1622 2 3 DT Q5' 2 3 DT H6 3.100 . 4.300 3.213 3.031 3.635 . 0 0 "[ . 1 .]" 1
1623 2 3 DT H4' 2 3 DT H6 3.500 . 5.100 4.136 4.044 4.493 . 0 0 "[ . 1 .]" 1
1624 2 4 DG H1' 2 4 DG H8 2.600 . 3.500 2.522 2.491 2.565 . 0 0 "[ . 1 .]" 1
1625 2 4 DG H1' 2 4 DG H2' 3.300 . 4.600 3.049 2.969 3.069 . 0 0 "[ . 1 .]" 1
1626 2 4 DG H2' 2 4 DG H2'' 2.600 . 3.400 1.761 1.758 1.763 0.042 12 0 "[ . 1 .]" 1
1627 2 4 DG H2' 2 4 DG H3' 2.900 . 4.000 2.343 2.316 2.389 . 0 0 "[ . 1 .]" 1
1628 2 4 DG H2' 2 4 DG H4' 3.700 . 5.400 3.909 3.868 3.948 . 0 0 "[ . 1 .]" 1
1629 2 4 DG H2' 2 4 DG H8 3.800 . 5.600 4.501 4.251 4.665 . 0 0 "[ . 1 .]" 1
1630 2 4 DG H1' 2 4 DG H2'' 2.600 . 3.400 2.380 2.282 2.442 . 0 0 "[ . 1 .]" 1
1631 2 4 DG H2'' 2 4 DG H3' 3.200 . 4.500 2.823 2.703 2.992 . 0 0 "[ . 1 .]" 1
1632 2 4 DG H2'' 2 4 DG H4' 3.400 . 4.900 3.689 3.121 4.008 . 0 0 "[ . 1 .]" 1
1633 2 4 DG H2'' 2 4 DG H8 3.600 . 5.200 4.144 3.996 4.398 . 0 0 "[ . 1 .]" 1
1634 2 4 DG H1' 2 4 DG H3' 3.600 . 5.200 3.852 3.777 3.929 . 0 0 "[ . 1 .]" 1
1635 2 3 DT H1' 2 4 DG H4' 3.200 . 4.500 4.212 2.945 4.605 0.105 9 0 "[ . 1 .]" 1
1636 2 3 DT H6 2 4 DG H4' 3.700 . 6.000 6.010 5.710 6.296 0.296 12 0 "[ . 1 .]" 1
1637 2 4 DG H1' 2 4 DG H4' 3.000 . 4.100 2.852 2.563 3.209 . 0 0 "[ . 1 .]" 1
1638 2 4 DG H3' 2 4 DG H4' 3.100 . 4.300 2.874 2.741 2.995 . 0 0 "[ . 1 .]" 1
1639 2 5 DT H1' 2 5 DT H3' 3.400 . 4.800 3.801 3.766 3.836 . 0 0 "[ . 1 .]" 1
1640 2 5 DT H1' 2 5 DT H6 3.000 . 4.100 3.620 3.452 3.700 . 0 0 "[ . 1 .]" 1
1641 2 5 DT H1' 2 5 DT H2' 3.000 . 4.100 3.061 3.054 3.069 . 0 0 "[ . 1 .]" 1
1642 2 5 DT H2' 2 5 DT H2'' 2.300 . 3.000 1.758 1.750 1.763 . 0 0 "[ . 1 .]" 1
1643 2 5 DT H2' 2 5 DT H3' 2.700 . 3.600 2.415 2.400 2.430 . 0 0 "[ . 1 .]" 1
1644 2 5 DT H2' 2 5 DT H6 2.700 . 3.600 3.008 2.719 3.611 0.011 1 0 "[ . 1 .]" 1
1645 2 5 DT H1' 2 5 DT H2'' 2.400 . 3.100 2.432 2.409 2.472 . 0 0 "[ . 1 .]" 1
1646 2 5 DT H2'' 2 5 DT H3' 2.900 . 3.900 2.681 2.649 2.703 . 0 0 "[ . 1 .]" 1
1647 2 5 DT H2'' 2 5 DT H6 3.600 . 5.300 4.241 4.046 4.584 . 0 0 "[ . 1 .]" 1
1648 2 5 DT H3' 2 5 DT H6 3.600 . 5.200 4.609 4.398 5.038 . 0 0 "[ . 1 .]" 1
1649 2 5 DT H1' 2 5 DT H4' 3.100 . 4.300 3.334 3.230 3.426 . 0 0 "[ . 1 .]" 1
1650 2 5 DT H3' 2 5 DT H4' 2.800 . 3.800 2.695 2.668 2.725 . 0 0 "[ . 1 .]" 1
1651 2 5 DT H4' 2 5 DT H6 3.700 . 5.400 4.261 4.122 4.452 . 0 0 "[ . 1 .]" 1
1652 2 5 DT H5' 2 5 DT H5'' 2.400 . 3.100 1.775 1.771 1.778 . 0 0 "[ . 1 .]" 1
1653 2 4 DG H1' 2 5 DT H6 3.000 . 6.000 5.556 4.580 5.942 . 0 0 "[ . 1 .]" 1
1654 2 6 DG H1' 2 6 DG H3' 3.200 . 4.500 3.880 3.859 3.893 . 0 0 "[ . 1 .]" 1
1655 2 6 DG H1' 2 6 DG H8 3.100 . 4.300 3.869 3.864 3.877 . 0 0 "[ . 1 .]" 1
1656 2 6 DG Q2' 2 6 DG H5' 3.700 . 5.400 3.929 3.854 4.035 . 0 0 "[ . 1 .]" 1
1657 2 6 DG Q2' 2 7 DC Q5' 3.800 . 5.600 3.320 2.232 4.082 . 0 0 "[ . 1 .]" 1
1658 2 6 DG H1' 2 6 DG H2' 2.900 . 4.000 3.055 3.050 3.060 . 0 0 "[ . 1 .]" 1
1659 2 6 DG H2' 2 6 DG H3' 2.400 . 3.100 2.385 2.372 2.405 . 0 0 "[ . 1 .]" 1
1660 2 6 DG H2' 2 6 DG H4' 3.200 . 4.500 3.884 3.868 3.894 . 0 0 "[ . 1 .]" 1
1661 2 6 DG H2' 2 6 DG H5' 3.500 . 5.000 4.081 3.990 4.202 . 0 0 "[ . 1 .]" 1
1662 2 6 DG H2' 2 6 DG H5'' 3.300 . 4.700 4.099 3.941 4.177 . 0 0 "[ . 1 .]" 1
1663 2 6 DG H2' 2 6 DG H8 2.300 . 3.000 2.250 2.205 2.343 . 0 0 "[ . 1 .]" 1
1664 2 6 DG H2' 2 7 DC H6 3.800 . 5.600 4.622 3.587 5.547 . 0 0 "[ . 1 .]" 1
1665 2 6 DG H1' 2 6 DG H2'' 2.300 . 3.000 2.396 2.387 2.410 . 0 0 "[ . 1 .]" 1
1666 2 6 DG H2'' 2 6 DG H3' 2.600 . 3.400 2.721 2.705 2.727 . 0 0 "[ . 1 .]" 1
1667 2 6 DG H2'' 2 6 DG H4' 3.300 . 4.700 4.006 3.994 4.040 . 0 0 "[ . 1 .]" 1
1668 2 6 DG H2'' 2 6 DG H8 3.400 . 4.800 3.705 3.663 3.773 . 0 0 "[ . 1 .]" 1
1669 2 6 DG H3' 2 6 DG H4' 2.500 . 3.300 2.721 2.708 2.726 . 0 0 "[ . 1 .]" 1
1670 2 6 DG H3' 2 6 DG H8 3.500 . 5.000 4.233 4.176 4.329 . 0 0 "[ . 1 .]" 1
1671 2 6 DG H1' 2 6 DG H4' 2.800 . 3.800 3.341 3.301 3.382 . 0 0 "[ . 1 .]" 1
1672 2 6 DG H4' 2 6 DG H5'' 2.400 . 3.100 2.305 2.276 2.380 . 0 0 "[ . 1 .]" 1
1673 2 6 DG H4' 2 6 DG H8 3.500 . 5.000 4.868 4.833 4.907 . 0 0 "[ . 1 .]" 1
1674 2 5 DT H3' 2 6 DG H5' 3.100 . 6.000 5.093 4.772 5.369 . 0 0 "[ . 1 .]" 1
1675 2 6 DG H3' 2 6 DG H5' 3.400 . 4.900 3.683 3.657 3.709 . 0 0 "[ . 1 .]" 1
1676 2 6 DG H4' 2 6 DG H5' 2.600 . 3.400 2.544 2.461 2.580 . 0 0 "[ . 1 .]" 1
1677 2 6 DG H5' 2 6 DG H5'' 2.200 . 2.800 1.773 1.768 1.776 . 0 0 "[ . 1 .]" 1
1678 2 6 DG H5' 2 6 DG H8 3.000 . 4.100 3.947 3.814 4.126 0.026 7 0 "[ . 1 .]" 1
1679 2 5 DT H3' 2 6 DG H5'' 2.600 . 6.000 5.058 4.771 5.389 . 0 0 "[ . 1 .]" 1
1680 2 6 DG H2'' 2 6 DG H5'' 3.800 . 5.600 4.977 4.849 5.043 . 0 0 "[ . 1 .]" 1
1681 2 6 DG H3' 2 6 DG H5'' 2.400 . 3.100 2.725 2.549 2.816 . 0 0 "[ . 1 .]" 1
1682 2 6 DG H5'' 2 6 DG H8 3.300 . 4.700 4.760 4.651 4.813 0.113 11 0 "[ . 1 .]" 1
1683 2 7 DC H1' 2 7 DC H5 3.900 . 5.800 5.420 5.392 5.434 . 0 0 "[ . 1 .]" 1
1684 2 7 DC H1' 2 7 DC H6 3.000 . 4.100 3.710 3.665 3.728 . 0 0 "[ . 1 .]" 1
1685 2 7 DC H1' 2 7 DC H2' 2.700 . 3.600 3.000 2.806 3.066 . 0 0 "[ . 1 .]" 1
1686 2 7 DC H2' 2 7 DC H2'' 1.600 . 2.200 1.758 1.755 1.762 . 0 0 "[ . 1 .]" 1
1687 2 7 DC H2' 2 7 DC H3' 2.100 . 2.700 2.376 2.324 2.396 . 0 0 "[ . 1 .]" 1
1688 2 7 DC H2' 2 7 DC H4' 3.300 . 4.600 3.871 3.819 3.899 . 0 0 "[ . 1 .]" 1
1689 2 7 DC H2' 2 7 DC H5 4.000 . 6.000 4.516 4.294 4.740 . 0 0 "[ . 1 .]" 1
1690 2 7 DC H2' 2 7 DC H6 2.100 . 2.700 2.549 2.135 2.805 0.105 13 0 "[ . 1 .]" 1
1691 2 7 DC H1' 2 7 DC H2'' 2.100 . 2.600 2.370 2.296 2.430 . 0 0 "[ . 1 .]" 1
1692 2 7 DC H2'' 2 7 DC H3' 2.600 . 3.400 2.802 2.697 3.046 . 0 0 "[ . 1 .]" 1
1693 2 7 DC H2'' 2 7 DC H4' 3.100 . 4.300 3.728 2.837 4.060 . 0 0 "[ . 1 .]" 1
1694 2 7 DC H2'' 2 7 DC H6 3.500 . 5.000 3.916 3.635 4.100 . 0 0 "[ . 1 .]" 1
1695 2 7 DC H1' 2 7 DC H3' 3.500 . 5.000 3.889 3.793 3.956 . 0 0 "[ . 1 .]" 1
1696 2 7 DC H3' 2 7 DC H4' 2.400 . 3.100 2.791 2.676 3.008 . 0 0 "[ . 1 .]" 1
1697 2 7 DC H3' 2 7 DC H6 3.100 . 4.300 3.655 2.013 4.298 . 0 0 "[ . 1 .]" 1
1698 2 7 DC H1' 2 7 DC H4' 2.600 . 3.400 3.309 2.634 3.496 0.096 4 0 "[ . 1 .]" 1
1699 2 7 DC H4' 2 7 DC H6 3.200 . 4.500 4.358 4.166 4.554 0.054 13 0 "[ . 1 .]" 1
1700 2 6 DG H2'' 2 7 DC Q5' 3.500 . 5.100 3.667 2.255 4.734 . 0 0 "[ . 1 .]" 1
1701 2 6 DG H3' 2 7 DC Q5' 3.000 . 4.100 2.479 2.012 3.878 . 0 0 "[ . 1 .]" 1
1702 2 6 DG H4' 2 7 DC Q5' 3.400 . 4.800 4.122 3.207 4.905 0.105 14 0 "[ . 1 .]" 1
1703 2 6 DG H8 2 7 DC Q5' 2.800 . 6.000 5.728 4.846 6.055 0.055 9 0 "[ . 1 .]" 1
1704 2 7 DC H1' 2 7 DC Q5' 3.300 . 4.700 4.231 4.000 4.427 . 0 0 "[ . 1 .]" 1
1705 2 7 DC H2' 2 7 DC Q5' 3.700 . 5.400 3.492 2.568 4.337 . 0 0 "[ . 1 .]" 1
1706 2 7 DC H3' 2 7 DC Q5' 2.500 . 3.300 2.371 2.144 2.834 . 0 0 "[ . 1 .]" 1
1707 2 7 DC Q5' 2 7 DC H6 3.200 . 4.500 3.048 2.145 3.882 . 0 0 "[ . 1 .]" 1
1708 2 6 DG H3' 2 7 DC H6 3.000 . 4.100 3.703 2.271 4.155 0.055 15 0 "[ . 1 .]" 1
1709 2 7 DC H5 2 7 DC H6 2.200 . 2.800 2.439 2.434 2.442 . 0 0 "[ . 1 .]" 1
1710 1 20 TYR QE 2 1 DG H8 3.700 . 5.400 4.396 3.525 5.496 0.096 4 0 "[ . 1 .]" 1
1711 1 14 PHE HZ 2 4 DG H1' 3.500 . 5.100 3.533 2.938 4.161 . 0 0 "[ . 1 .]" 1
1712 1 54 TYR HB3 2 4 DG H1' 3.500 . 5.000 4.780 4.219 5.079 0.079 1 0 "[ . 1 .]" 1
1713 1 56 PHE QE 2 5 DT H1' 3.200 . 4.500 3.084 2.971 3.245 . 0 0 "[ . 1 .]" 1
1714 1 14 PHE QE 2 5 DT H6 3.700 . 5.500 3.803 3.466 3.991 . 0 0 "[ . 1 .]" 1
1715 1 14 PHE HZ 2 5 DT H6 3.600 . 5.200 3.836 3.457 4.081 . 0 0 "[ . 1 .]" 1
1716 1 56 PHE QD 2 6 DG H1' 3.600 . 5.200 4.408 3.741 4.718 . 0 0 "[ . 1 .]" 1
1717 1 56 PHE QE 2 6 DG H1' 3.900 . 5.800 4.970 4.473 5.317 . 0 0 "[ . 1 .]" 1
1718 1 12 LYS QE 2 6 DG H8 3.900 . 5.800 3.776 3.574 3.911 . 0 0 "[ . 1 .]" 1
1719 1 43 ILE MD 2 6 DG H8 3.500 . 5.000 4.383 4.265 4.478 . 0 0 "[ . 1 .]" 1
1720 1 56 PHE QD 2 6 DG H8 3.400 . 4.900 4.220 3.906 4.449 . 0 0 "[ . 1 .]" 1
1721 1 56 PHE QE 2 6 DG H8 3.000 . 4.100 3.316 2.921 3.612 . 0 0 "[ . 1 .]" 1
1722 1 56 PHE HZ 2 6 DG H8 3.100 . 4.300 3.748 3.544 4.086 . 0 0 "[ . 1 .]" 1
1723 1 54 TYR HH 2 5 DT H4' 3.200 . 4.500 2.967 1.859 4.404 0.041 5 0 "[ . 1 .]" 1
1724 2 5 DT H3 2 5 DT H6 3.700 . 5.400 4.764 4.760 4.773 . 0 0 "[ . 1 .]" 1
1725 1 54 TYR HH 2 6 DG H5' 4.000 . 6.000 4.096 3.341 5.406 . 0 0 "[ . 1 .]" 1
1726 1 54 TYR HH 2 6 DG H5'' 3.900 . 5.800 4.216 3.410 5.300 . 0 0 "[ . 1 .]" 1
1727 2 5 DT H1' 2 6 DG H8 3.400 . 4.900 4.542 4.141 4.845 . 0 0 "[ . 1 .]" 1
1728 1 20 TYR HB3 1 20 TYR QD 2.600 . 3.400 2.663 2.555 2.727 . 0 0 "[ . 1 .]" 1
1729 1 20 TYR HB2 1 20 TYR QD 2.500 . 3.300 2.285 2.275 2.306 . 0 0 "[ . 1 .]" 1
1730 1 52 ARG HD3 1 54 TYR HH 3.500 . 5.100 2.646 1.208 4.096 0.692 15 2 "[ . 1- +]" 1
1731 1 52 ARG HD2 1 54 TYR HH 4.700 . 6.000 3.740 2.549 5.100 . 0 0 "[ . 1 .]" 1
1732 1 54 TYR QE 1 54 TYR HH 3.300 . 4.700 2.421 2.372 2.482 . 0 0 "[ . 1 .]" 1
1733 1 54 TYR HH 1 56 PHE QE 4.200 . 6.000 5.371 4.442 6.713 0.713 11 2 "[ . 1+ - .]" 1
1734 1 87 TYR HB2 1 87 TYR QE 3.500 . 5.100 4.379 4.366 4.398 . 0 0 "[ . 1 .]" 1
1735 1 24 ASP HA 1 42 VAL H 3.500 . 5.000 2.814 2.549 3.070 . 0 0 "[ . 1 .]" 1
1736 1 11 THR HA 1 59 MET H 3.300 . 4.700 3.617 3.453 3.884 . 0 0 "[ . 1 .]" 1
1737 1 68 ALA MB 1 70 LYS H 3.200 . 4.500 4.105 4.013 4.179 . 0 0 "[ . 1 .]" 1
1738 1 9 MET H 1 10 PHE HA 3.900 . 5.800 5.345 5.304 5.365 . 0 0 "[ . 1 .]" 1
1739 1 11 THR H 1 12 LYS HB2 4.500 . 6.000 4.272 4.104 4.427 . 0 0 "[ . 1 .]" 1
1740 1 12 LYS H 1 12 LYS HD2 4.300 . 6.000 4.292 4.103 4.445 . 0 0 "[ . 1 .]" 1
1741 1 12 LYS H 1 12 LYS HG3 4.100 . 6.000 3.652 3.495 3.814 . 0 0 "[ . 1 .]" 1
1742 1 11 THR HA 1 14 PHE H 3.800 . 5.600 4.901 4.843 4.949 . 0 0 "[ . 1 .]" 1
1743 1 16 GLY HA3 1 18 LEU H 4.700 . 6.000 4.096 3.992 4.214 . 0 0 "[ . 1 .]" 1
1744 1 87 TYR HA 1 91 LYS H 4.000 . 6.000 5.139 5.009 5.262 . 0 0 "[ . 1 .]" 1
1745 1 20 TYR HA 1 22 THR H 3.700 . 5.400 3.775 3.657 3.847 . 0 0 "[ . 1 .]" 1
1746 1 23 SER H 1 25 LYS HA 4.300 . 6.000 4.779 4.605 5.054 . 0 0 "[ . 1 .]" 1
1747 1 13 ILE HB 1 28 HIS H 2.800 . 6.000 5.557 5.390 5.709 . 0 0 "[ . 1 .]" 1
1748 1 27 LEU HG 1 28 HIS H 4.700 . 6.000 4.347 4.298 4.412 . 0 0 "[ . 1 .]" 1
1749 1 29 GLU H 1 29 GLU HA 2.500 . 3.300 2.754 2.732 2.773 . 0 0 "[ . 1 .]" 1
1750 1 26 THR MG 1 29 GLU H 4.400 . 6.000 4.159 4.095 4.222 . 0 0 "[ . 1 .]" 1
1751 1 25 LYS HB2 1 29 GLU H 4.200 . 6.000 5.163 5.079 5.217 . 0 0 "[ . 1 .]" 1
1752 1 29 GLU HA 1 32 GLU H 3.400 . 4.800 3.600 3.455 3.718 . 0 0 "[ . 1 .]" 1
1753 1 28 HIS HD2 1 32 GLU H 4.700 . 6.000 4.947 4.547 5.312 . 0 0 "[ . 1 .]" 1
1754 1 29 GLU QB 1 33 GLN H 3.700 . 6.000 5.666 5.447 5.804 . 0 0 "[ . 1 .]" 1
1755 1 34 PHE H 1 35 GLY HA2 4.900 . 6.000 4.333 4.180 4.555 . 0 0 "[ . 1 .]" 1
1756 1 36 ASP H 1 64 SER HB2 3.900 . 5.800 3.487 3.179 3.826 . 0 0 "[ . 1 .]" 1
1757 1 11 THR HB 1 38 GLU H 4.500 . 6.000 4.694 4.620 4.770 . 0 0 "[ . 1 .]" 1
1758 1 41 VAL H 1 42 VAL H 3.000 . 4.200 3.140 3.065 3.215 . 0 0 "[ . 1 .]" 1
1759 1 14 PHE HA 1 41 VAL H 4.700 . 6.000 5.716 5.596 5.798 . 0 0 "[ . 1 .]" 1
1760 1 27 LEU HB2 1 43 ILE H 4.000 . 6.000 4.742 4.395 4.881 . 0 0 "[ . 1 .]" 1
1761 1 43 ILE H 1 43 ILE HB 2.600 . 3.400 2.445 2.387 2.477 . 0 0 "[ . 1 .]" 1
1762 1 43 ILE HB 1 44 THR H 2.700 . 3.600 2.875 2.783 2.975 . 0 0 "[ . 1 .]" 1
1763 1 44 THR H 1 45 ASP HA 3.900 . 5.800 4.160 4.002 4.278 . 0 0 "[ . 1 .]" 1
1764 1 20 TYR HA 1 44 THR H 4.100 . 6.000 6.051 5.967 6.111 0.111 2 0 "[ . 1 .]" 1
1765 1 45 ASP H 1 50 LYS HD3 3.600 . 5.300 3.246 2.579 3.639 . 0 0 "[ . 1 .]" 1
1766 1 50 LYS QG 1 51 SER H 3.100 . 6.000 4.514 4.326 4.703 . 0 0 "[ . 1 .]" 1
1767 1 49 GLN QB 1 51 SER H 3.200 . 6.000 5.764 5.332 6.069 0.069 10 0 "[ . 1 .]" 1
1768 1 15 VAL HA 1 52 ARG H 3.000 . 6.000 5.990 5.879 6.049 0.049 7 0 "[ . 1 .]" 1
1769 1 18 LEU HB2 1 55 GLY H 4.700 . 6.000 4.191 3.955 4.355 . 0 0 "[ . 1 .]" 1
1770 1 38 GLU HB3 1 57 VAL H 3.500 . 5.000 5.086 5.011 5.140 0.140 14 0 "[ . 1 .]" 1
1771 1 11 THR HB 1 58 THR H 4.200 . 6.000 4.651 4.471 4.773 . 0 0 "[ . 1 .]" 1
1772 1 60 LYS HA 1 61 ASP H 2.800 . 3.800 3.024 2.941 3.257 . 0 0 "[ . 1 .]" 1
1773 1 35 GLY HA2 1 61 ASP H 4.600 . 6.000 4.820 4.567 5.104 . 0 0 "[ . 1 .]" 1
1774 1 61 ASP H 1 63 ALA MB 4.800 . 6.000 4.165 4.035 4.271 . 0 0 "[ . 1 .]" 1
1775 1 62 ARG HA 1 63 ALA H 3.500 . 5.000 3.474 3.452 3.528 . 0 0 "[ . 1 .]" 1
1776 1 62 ARG HA 1 65 ALA H 2.300 . 3.000 2.341 2.282 2.579 . 0 0 "[ . 1 .]" 1
1777 1 59 MET HG3 1 65 ALA H 3.200 . 4.500 3.249 3.059 4.052 . 0 0 "[ . 1 .]" 1
1778 1 13 ILE HB 1 65 ALA H 3.700 . 5.400 3.545 3.352 4.035 . 0 0 "[ . 1 .]" 1
1779 1 11 THR HA 1 65 ALA H 4.000 . 6.000 3.448 3.412 3.472 . 0 0 "[ . 1 .]" 1
1780 1 13 ILE HA 1 65 ALA H 3.600 . 5.200 4.395 4.325 4.465 . 0 0 "[ . 1 .]" 1
1781 1 10 PHE QE 1 66 GLU H 4.300 . 6.000 6.189 6.131 6.236 0.236 2 0 "[ . 1 .]" 1
1782 1 59 MET ME 1 67 ARG H 3.900 . 5.800 4.345 4.218 4.512 . 0 0 "[ . 1 .]" 1
1783 1 63 ALA MB 1 67 ARG H 4.100 . 6.000 4.016 3.955 4.084 . 0 0 "[ . 1 .]" 1
1784 1 65 ALA MB 1 68 ALA H 3.700 . 5.400 4.636 4.576 4.702 . 0 0 "[ . 1 .]" 1
1785 1 59 MET HG2 1 68 ALA H 4.100 . 6.000 5.136 4.877 5.389 . 0 0 "[ . 1 .]" 1
1786 1 31 PHE HA 1 68 ALA H 4.300 . 6.000 5.102 5.060 5.159 . 0 0 "[ . 1 .]" 1
1787 1 31 PHE QE 1 68 ALA H 4.100 . 6.000 3.172 2.981 3.418 . 0 0 "[ . 1 .]" 1
1788 1 66 GLU QG 1 69 CYS H 3.200 . 4.500 4.348 4.078 4.584 0.084 6 0 "[ . 1 .]" 1
1789 1 65 ALA MB 1 69 CYS H 4.300 . 6.000 4.600 4.499 4.669 . 0 0 "[ . 1 .]" 1
1790 1 73 ASN HD21 1 80 LYS HG2 3.500 . 5.000 3.473 2.984 4.687 . 0 0 "[ . 1 .]" 1
1791 1 75 ILE HB 1 76 ILE H 4.400 . 6.000 4.160 4.029 4.245 . 0 0 "[ . 1 .]" 1
1792 1 76 ILE H 1 79 ARG HB2 4.100 . 6.000 4.658 4.328 4.757 . 0 0 "[ . 1 .]" 1
1793 1 18 LEU MD2 1 81 ALA H 4.600 . 6.000 3.600 3.425 3.774 . 0 0 "[ . 1 .]" 1
1794 1 5 SER H 1 6 ARG HG2 4.200 . 6.000 4.856 3.634 5.499 . 0 0 "[ . 1 .]" 1
1795 1 85 LEU H 1 85 LEU MD2 3.000 . 4.100 2.667 2.424 2.922 . 0 0 "[ . 1 .]" 1
1796 1 9 MET HG2 1 87 TYR H 4.000 . 6.000 3.978 3.796 4.217 . 0 0 "[ . 1 .]" 1
1797 1 19 PRO HG2 1 20 TYR H 3.900 . 5.800 3.518 3.472 3.547 . 0 0 "[ . 1 .]" 1
1798 1 89 GLY H 1 91 LYS H 4.400 . 6.000 4.437 4.345 4.501 . 0 0 "[ . 1 .]" 1
1799 1 18 LEU HA 1 20 TYR H 3.700 . 6.000 5.848 4.978 6.118 0.118 6 0 "[ . 1 .]" 1
1800 1 20 TYR H 1 51 SER HA 4.100 . 6.000 5.143 4.897 5.665 . 0 0 "[ . 1 .]" 1
1801 1 92 PRO HB2 1 93 ARG H 3.200 . 4.500 2.812 1.844 3.364 0.056 5 0 "[ . 1 .]" 1
1802 1 75 ILE MD 1 76 ILE HB 3.500 . 5.100 3.887 3.748 3.988 . 0 0 "[ . 1 .]" 1
1803 1 13 ILE MD 1 59 MET HB2 4.500 . 6.000 3.716 3.665 3.771 . 0 0 "[ . 1 .]" 1
1804 1 11 THR HA 1 13 ILE MD 4.200 . 6.000 4.743 4.560 4.871 . 0 0 "[ . 1 .]" 1
1805 1 10 PHE QB 1 59 MET ME 3.900 . 5.800 5.679 5.547 5.936 0.136 11 0 "[ . 1 .]" 1
1806 1 59 MET HG3 1 65 ALA MB 2.700 . 3.600 2.184 1.993 2.489 . 0 0 "[ . 1 .]" 1
1807 1 2 ALA MB 1 9 MET HA 2.500 . 6.000 5.848 5.509 6.055 0.055 2 0 "[ . 1 .]" 1
1808 1 90 ALA MB 1 91 LYS HB3 3.300 . 6.000 5.384 5.189 5.588 . 0 0 "[ . 1 .]" 1
1809 1 59 MET HG3 1 68 ALA MB 3.800 . 5.600 3.902 3.725 4.460 . 0 0 "[ . 1 .]" 1
1810 1 27 LEU HA 1 40 ALA MB 3.500 . 5.000 3.628 3.558 3.680 . 0 0 "[ . 1 .]" 1
1811 1 17 GLY HA3 1 81 ALA MB 3.700 . 5.400 3.638 3.451 3.872 . 0 0 "[ . 1 .]" 1
1812 1 8 THR HA 1 58 THR MG 2.800 . 3.700 3.690 3.326 3.823 0.123 3 0 "[ . 1 .]" 1
1813 1 7 ASP QB 1 8 THR MG 3.600 . 5.300 3.262 2.710 3.797 . 0 0 "[ . 1 .]" 1
1814 1 24 ASP HB2 1 40 ALA MB 4.100 . 6.000 4.948 4.700 5.183 . 0 0 "[ . 1 .]" 1
1815 1 48 THR MG 1 49 GLN QG 3.700 . 5.400 4.776 3.510 5.086 . 0 0 "[ . 1 .]" 1
1816 1 11 THR MG 1 61 ASP HB3 3.900 . 5.400 4.499 4.181 4.794 . 0 0 "[ . 1 .]" 1
1817 1 11 THR MG 1 61 ASP HB3 4.100 . 6.000 4.473 4.168 4.756 . 0 0 "[ . 1 .]" 1
1818 1 19 PRO HG2 1 26 THR MG 3.300 . 4.700 4.618 4.355 4.712 0.012 9 0 "[ . 1 .]" 1
1819 1 26 THR MG 1 33 GLN QB 2.900 . 6.000 6.098 5.977 6.227 0.227 5 0 "[ . 1 .]" 1
1820 1 26 THR MG 1 29 GLU QB 3.500 . 6.000 4.385 4.056 4.785 . 0 0 "[ . 1 .]" 1
1821 1 22 THR MG 1 26 THR HA 3.800 . 5.600 3.863 3.748 3.942 . 0 0 "[ . 1 .]" 1
1822 1 18 LEU MD2 1 18 LEU HG 2.300 . 2.900 1.876 1.820 1.931 . 0 0 "[ . 1 .]" 1
1823 1 18 LEU MD2 1 19 PRO HG3 4.300 . 6.000 4.145 3.864 4.628 . 0 0 "[ . 1 .]" 1
1824 1 12 LYS QE 1 85 LEU MD2 2.900 . 6.000 3.838 2.748 4.062 . 0 0 "[ . 1 .]" 1
1825 1 59 MET HG2 1 85 LEU MD2 2.700 . 6.000 3.887 2.753 4.160 . 0 0 "[ . 1 .]" 1
1826 1 10 PHE QB 1 85 LEU MD2 3.500 . 5.100 3.335 3.082 3.561 . 0 0 "[ . 1 .]" 1
1827 1 69 CYS HB3 1 85 LEU MD2 4.100 . 6.000 4.198 3.868 4.396 . 0 0 "[ . 1 .]" 1
1828 1 19 PRO HD3 1 27 LEU MD2 3.700 . 5.500 3.694 3.619 3.773 . 0 0 "[ . 1 .]" 1
1829 1 27 LEU MD2 1 30 TYR HB2 4.200 . 6.000 4.338 4.108 4.576 . 0 0 "[ . 1 .]" 1
1830 1 48 THR HA 1 50 LYS HG2 2.200 . 2.800 2.053 1.933 2.161 . 0 0 "[ . 1 .]" 1
1831 1 12 LYS HD2 1 12 LYS HG3 2.800 . 3.800 2.385 2.340 2.488 . 0 0 "[ . 1 .]" 1
1832 1 11 THR HA 1 12 LYS HG2 3.400 . 4.800 4.485 3.805 4.915 0.115 2 0 "[ . 1 .]" 1
1833 1 10 PHE QB 1 85 LEU MD1 3.600 . 5.200 3.018 2.838 3.171 . 0 0 "[ . 1 .]" 1
1834 1 74 PRO HG2 1 76 ILE HB 3.300 . 4.700 3.273 2.412 3.976 . 0 0 "[ . 1 .]" 1
1835 1 59 MET HB3 1 62 ARG HG2 4.200 . 6.000 4.555 2.687 5.601 . 0 0 "[ . 1 .]" 1
1836 1 59 MET HB3 1 62 ARG HG3 4.300 . 6.000 4.979 2.764 5.654 . 0 0 "[ . 1 .]" 1
1837 1 85 LEU HB3 1 85 LEU HG 3.100 . 4.300 2.981 2.892 3.007 . 0 0 "[ . 1 .]" 1
1838 1 46 ARG QB 1 46 ARG QG 1.800 . 2.200 1.884 1.850 1.907 . 0 0 "[ . 1 .]" 1
1839 1 36 ASP QB 1 38 GLU HB2 4.000 . 6.000 5.093 4.751 5.435 . 0 0 "[ . 1 .]" 1
1840 1 37 ILE HA 1 38 GLU HB3 4.100 . 6.000 4.435 3.858 4.749 . 0 0 "[ . 1 .]" 1
1841 1 15 VAL HA 1 15 VAL HB 3.400 . 4.800 3.005 2.997 3.011 . 0 0 "[ . 1 .]" 1
1842 1 37 ILE HA 1 59 MET HB3 3.000 . 4.200 2.550 2.409 2.778 . 0 0 "[ . 1 .]" 1
1843 1 59 MET HG3 1 64 SER HB2 2.400 . 3.100 1.858 1.675 2.832 0.025 9 0 "[ . 1 .]" 1
1844 1 25 LYS HB3 1 25 LYS QE 3.100 . 4.300 2.400 1.851 3.340 0.049 1 0 "[ . 1 .]" 1
1845 1 37 ILE HA 1 59 MET HB3 3.700 . 5.400 2.974 2.869 3.069 . 0 0 "[ . 1 .]" 1
1846 1 2 ALA MB 1 3 MET HG3 4.100 . 6.000 4.006 2.762 4.343 . 0 0 "[ . 1 .]" 1
1847 1 59 MET HG3 1 68 ALA MB 4.000 . 6.000 3.934 3.740 4.541 . 0 0 "[ . 1 .]" 1
1848 1 96 VAL HA 1 96 VAL HB 3.000 . 4.100 2.993 2.929 3.018 . 0 0 "[ . 1 .]" 1
1849 1 24 ASP HA 1 25 LYS HB2 2.700 . 3.600 2.499 2.431 2.584 . 0 0 "[ . 1 .]" 1
1850 1 24 ASP HA 1 42 VAL HB 2.300 . 3.000 2.467 2.422 2.541 . 0 0 "[ . 1 .]" 1
1851 1 37 ILE HA 1 60 LYS HB3 2.600 . 3.400 2.977 2.963 2.988 . 0 0 "[ . 1 .]" 1
1852 1 50 LYS HB2 1 50 LYS QG 2.200 . 2.800 1.973 1.935 1.996 . 0 0 "[ . 1 .]" 1
1853 1 48 THR HA 1 49 GLN HG3 2.800 . 3.800 3.818 3.631 3.895 0.095 3 0 "[ . 1 .]" 1
1854 1 19 PRO HG3 1 79 ARG HB3 3.500 . 5.100 2.281 1.935 2.701 . 0 0 "[ . 1 .]" 1
1855 1 40 ALA HA 1 57 VAL HB 4.100 . 6.000 4.383 4.294 4.498 . 0 0 "[ . 1 .]" 1
1856 1 20 TYR HB3 1 51 SER HB3 4.100 . 6.000 3.959 2.715 4.489 . 0 0 "[ . 1 .]" 1
1857 1 32 GLU HA 1 37 ILE HB 4.200 . 6.000 3.784 3.468 3.967 . 0 0 "[ . 1 .]" 1
1858 1 85 LEU HB2 1 85 LEU MD2 2.700 . 3.600 2.382 2.194 2.544 . 0 0 "[ . 1 .]" 1
1859 1 12 LYS QE 1 91 LYS QE 3.000 . 6.000 4.642 3.579 5.482 . 0 0 "[ . 1 .]" 1
1860 1 22 THR MG 1 27 LEU HB2 4.100 . 6.000 4.319 4.090 4.492 . 0 0 "[ . 1 .]" 1
1861 1 22 THR MG 1 27 LEU HB3 4.500 . 6.000 4.420 4.227 4.606 . 0 0 "[ . 1 .]" 1
1862 1 3 MET HB2 1 6 ARG QD 2.800 . 6.000 4.841 3.299 6.062 0.062 12 0 "[ . 1 .]" 1
1863 1 46 ARG QD 1 49 GLN HB3 2.500 . 6.000 4.811 3.787 5.508 . 0 0 "[ . 1 .]" 1
1864 1 60 LYS HG2 1 61 ASP HB3 3.700 . 5.400 4.426 3.850 5.035 . 0 0 "[ . 1 .]" 1
1865 1 60 LYS HB3 1 61 ASP HB3 3.000 . 4.100 4.056 3.623 4.467 0.367 3 0 "[ . 1 .]" 1
1866 1 12 LYS QE 1 56 PHE HB2 4.100 . 6.000 4.780 4.492 5.166 . 0 0 "[ . 1 .]" 1
1867 1 89 GLY HA3 1 92 PRO HG3 3.600 . 6.000 6.029 5.767 6.129 0.129 1 0 "[ . 1 .]" 1
1868 1 4 GLY QA 1 6 ARG HG2 4.000 . 6.000 5.223 3.746 6.329 0.329 9 0 "[ . 1 .]" 1
1869 1 13 ILE HB 1 40 ALA HA 4.100 . 6.000 4.300 4.055 4.478 . 0 0 "[ . 1 .]" 1
1870 1 2 ALA HA 1 93 ARG QD 4.000 . 6.000 5.645 5.021 6.138 0.138 10 0 "[ . 1 .]" 1
1871 1 43 ILE HB 1 45 ASP HA 4.500 . 6.000 5.461 5.410 5.519 . 0 0 "[ . 1 .]" 1
1872 1 63 ALA HA 1 68 ALA MB 4.000 . 6.000 6.017 5.777 6.085 0.085 6 0 "[ . 1 .]" 1
1873 1 56 PHE QE 1 86 ALA HA 4.300 . 6.000 3.918 3.680 4.264 . 0 0 "[ . 1 .]" 1
1874 1 12 LYS HA 1 12 LYS QE 4.500 . 6.000 4.686 4.600 4.766 . 0 0 "[ . 1 .]" 1
1875 1 10 PHE QB 1 85 LEU HA 4.400 . 6.000 4.323 4.228 4.434 . 0 0 "[ . 1 .]" 1
1876 1 14 PHE HA 1 14 PHE QD 3.200 . 4.500 2.427 2.224 2.621 . 0 0 "[ . 1 .]" 1
1877 1 10 PHE HA 1 62 ARG QD 4.200 . 6.000 4.690 4.381 4.973 . 0 0 "[ . 1 .]" 1
1878 1 18 LEU HB3 1 27 LEU HA 3.600 . 5.200 4.150 3.972 4.307 . 0 0 "[ . 1 .]" 1
1879 1 24 ASP HA 1 41 VAL HA 3.000 . 4.100 2.782 2.453 3.017 . 0 0 "[ . 1 .]" 1
1880 1 11 THR MG 1 62 ARG HA 2.000 . 2.500 1.779 1.659 1.859 . 0 0 "[ . 1 .]" 1
1881 1 11 THR HB 1 60 LYS HA 4.100 . 6.000 3.623 3.539 3.699 . 0 0 "[ . 1 .]" 1
1882 1 27 LEU HA 1 27 LEU HB2 2.500 . 3.300 2.260 2.176 2.348 . 0 0 "[ . 1 .]" 1
1883 1 29 GLU HA 1 29 GLU QB 2.500 . 3.300 2.072 1.807 2.331 . 0 0 "[ . 1 .]" 1
1884 1 62 ARG HA 1 62 ARG HG3 2.900 . 3.900 2.406 2.354 2.463 . 0 0 "[ . 1 .]" 1
1885 1 25 LYS HA 1 28 HIS HD2 4.600 . 6.000 5.381 4.554 6.066 0.066 14 0 "[ . 1 .]" 1
1886 1 69 CYS HB2 1 70 LYS HA 4.100 . 6.000 4.186 4.056 4.282 . 0 0 "[ . 1 .]" 1
1887 1 25 LYS HA 1 28 HIS HA 3.600 . 5.200 3.664 3.615 3.698 . 0 0 "[ . 1 .]" 1
1888 1 9 MET HB3 1 87 TYR HA 4.100 . 6.000 5.261 5.071 5.394 . 0 0 "[ . 1 .]" 1
1889 1 9 MET HA 1 9 MET ME 3.900 . 5.800 3.810 3.548 4.053 . 0 0 "[ . 1 .]" 1
1890 1 13 ILE HB 1 57 VAL HA 4.300 . 6.000 4.262 4.112 4.435 . 0 0 "[ . 1 .]" 1
1891 1 25 LYS HA 1 28 HIS HA 3.700 . 5.400 3.808 3.776 3.831 . 0 0 "[ . 1 .]" 1
1892 1 37 ILE HA 1 40 ALA MB 4.800 . 6.000 4.785 4.636 4.882 . 0 0 "[ . 1 .]" 1
1893 1 27 LEU HB3 1 31 PHE HA 3.500 . 5.000 3.515 3.386 3.638 . 0 0 "[ . 1 .]" 1
1894 1 48 THR HA 1 49 GLN QB 4.000 . 6.000 3.954 3.881 4.043 . 0 0 "[ . 1 .]" 1
1895 1 31 PHE HA 1 32 GLU HB3 3.200 . 4.500 2.884 2.595 3.164 . 0 0 "[ . 1 .]" 1
1896 1 18 LEU HA 1 19 PRO HA 3.100 . 4.300 4.057 3.952 4.129 . 0 0 "[ . 1 .]" 1
1897 1 27 LEU HB2 1 42 VAL HA 4.000 . 6.000 5.040 4.840 5.131 . 0 0 "[ . 1 .]" 1
1898 1 73 ASN HB2 1 74 PRO HA 3.800 . 5.600 5.136 4.961 5.260 . 0 0 "[ . 1 .]" 1
1899 1 19 PRO HG3 1 26 THR HB 4.200 . 6.000 5.253 5.037 5.570 . 0 0 "[ . 1 .]" 1
1900 1 11 THR HB 1 13 ILE HB 4.800 . 6.000 5.109 4.922 5.330 . 0 0 "[ . 1 .]" 1
1901 1 12 LYS HG3 1 56 PHE QE 4.400 . 6.000 3.916 3.760 4.240 . 0 0 "[ . 1 .]" 1
1902 1 27 LEU HG 1 31 PHE QD 3.700 . 5.400 2.170 1.991 2.394 0.009 10 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 38.124
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0127
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 ILE 0.365 0.031 7 0 "[ . 1 .]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 16 GLY 0.046 0.023 8 0 "[ . 1 .]"
1 23 SER 0.361 0.039 11 0 "[ . 1 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 25 LYS 0.176 0.034 5 0 "[ . 1 .]"
1 26 THR 0.090 0.024 15 0 "[ . 1 .]"
1 27 LEU 0.361 0.039 11 0 "[ . 1 .]"
1 28 HIS 0.011 0.011 7 0 "[ . 1 .]"
1 29 GLU 0.176 0.034 5 0 "[ . 1 .]"
1 30 TYR 0.090 0.024 15 0 "[ . 1 .]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 32 GLU 0.011 0.011 7 0 "[ . 1 .]"
1 39 GLU 0.479 0.033 3 0 "[ . 1 .]"
1 41 VAL 0.049 0.010 7 0 "[ . 1 .]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 56 PHE 0.049 0.010 7 0 "[ . 1 .]"
1 57 VAL 0.365 0.031 7 0 "[ . 1 .]"
1 58 THR 0.479 0.033 3 0 "[ . 1 .]"
1 61 ASP 0.358 0.033 15 0 "[ . 1 .]"
1 62 ARG 0.060 0.018 13 0 "[ . 1 .]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 64 SER 0.313 0.023 10 0 "[ . 1 .]"
1 65 ALA 0.378 0.033 15 0 "[ . 1 .]"
1 66 GLU 0.157 0.029 7 0 "[ . 1 .]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 68 ALA 0.313 0.023 10 0 "[ . 1 .]"
1 69 CYS 0.019 0.011 5 0 "[ . 1 .]"
1 70 LYS 0.096 0.029 7 0 "[ . 1 .]"
1 74 PRO 0.001 0.001 2 0 "[ . 1 .]"
1 76 ILE 0.117 0.015 3 0 "[ . 1 .]"
1 79 ARG 0.117 0.015 3 0 "[ . 1 .]"
1 81 ALA 0.001 0.001 2 0 "[ . 1 .]"
1 82 ASN 0.046 0.023 8 0 "[ . 1 .]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ILE N 1 57 VAL O 2.740 2.740 3.240 2.732 2.718 2.745 0.022 14 0 "[ . 1 .]" 2
2 1 13 ILE H 1 57 VAL O 1.790 . 2.290 1.778 1.759 1.834 0.031 7 0 "[ . 1 .]" 2
3 1 14 PHE N 1 84 ASN O 2.740 2.740 3.240 2.884 2.787 3.105 . 0 0 "[ . 1 .]" 2
4 1 14 PHE H 1 84 ASN O 1.790 . 2.290 1.954 1.852 2.165 . 0 0 "[ . 1 .]" 2
5 1 15 VAL N 1 55 GLY O 2.740 2.740 3.240 2.940 2.867 3.073 . 0 0 "[ . 1 .]" 2
6 1 15 VAL H 1 55 GLY O 1.790 . 2.290 1.977 1.894 2.107 . 0 0 "[ . 1 .]" 2
7 1 16 GLY N 1 82 ASN O 2.740 2.740 3.240 2.791 2.717 2.931 0.023 8 0 "[ . 1 .]" 2
8 1 16 GLY H 1 82 ASN O 1.790 . 2.290 1.970 1.787 2.129 0.003 4 0 "[ . 1 .]" 2
9 1 23 SER O 1 27 LEU N 2.740 2.740 3.240 3.222 3.188 3.252 0.012 9 0 "[ . 1 .]" 2
10 1 23 SER O 1 27 LEU H 1.790 . 2.290 2.313 2.288 2.329 0.039 11 0 "[ . 1 .]" 2
11 1 24 ASP O 1 28 HIS N 2.740 2.740 3.240 2.902 2.783 3.037 . 0 0 "[ . 1 .]" 2
12 1 24 ASP O 1 28 HIS H 1.790 . 2.290 1.945 1.805 2.082 . 0 0 "[ . 1 .]" 2
13 1 25 LYS O 1 29 GLU N 2.740 2.740 3.240 2.775 2.729 2.839 0.011 5 0 "[ . 1 .]" 2
14 1 25 LYS O 1 29 GLU H 1.790 . 2.290 1.797 1.756 1.858 0.034 5 0 "[ . 1 .]" 2
15 1 26 THR O 1 30 TYR N 2.740 2.740 3.240 3.159 3.001 3.245 0.005 7 0 "[ . 1 .]" 2
16 1 26 THR O 1 30 TYR H 1.790 . 2.290 2.243 2.125 2.314 0.024 15 0 "[ . 1 .]" 2
17 1 27 LEU O 1 31 PHE N 2.740 2.740 3.240 3.061 2.970 3.236 . 0 0 "[ . 1 .]" 2
18 1 27 LEU O 1 31 PHE H 1.790 . 2.290 2.111 2.007 2.273 . 0 0 "[ . 1 .]" 2
19 1 28 HIS O 1 32 GLU N 2.740 2.740 3.240 2.945 2.771 3.169 . 0 0 "[ . 1 .]" 2
20 1 28 HIS O 1 32 GLU H 1.790 . 2.290 2.090 1.921 2.301 0.011 7 0 "[ . 1 .]" 2
21 1 39 GLU N 1 58 THR O 2.740 2.740 3.240 3.228 3.171 3.252 0.012 8 0 "[ . 1 .]" 2
22 1 39 GLU H 1 58 THR O 1.790 . 2.290 2.287 2.234 2.310 0.020 14 0 "[ . 1 .]" 2
23 1 41 VAL N 1 56 PHE O 2.740 2.740 3.240 2.860 2.792 2.918 . 0 0 "[ . 1 .]" 2
24 1 41 VAL H 1 56 PHE O 1.790 . 2.290 1.882 1.811 1.955 . 0 0 "[ . 1 .]" 2
25 1 15 VAL O 1 55 GLY N 2.740 2.740 3.240 2.992 2.811 3.191 . 0 0 "[ . 1 .]" 2
26 1 15 VAL O 1 55 GLY H 1.790 . 2.290 2.042 1.849 2.268 . 0 0 "[ . 1 .]" 2
27 1 41 VAL O 1 56 PHE N 2.740 2.740 3.240 2.761 2.730 2.830 0.010 7 0 "[ . 1 .]" 2
28 1 41 VAL O 1 56 PHE H 1.790 . 2.290 1.816 1.783 1.892 0.007 3 0 "[ . 1 .]" 2
29 1 13 ILE O 1 57 VAL N 2.740 2.740 3.240 3.092 3.021 3.173 . 0 0 "[ . 1 .]" 2
30 1 13 ILE O 1 57 VAL H 1.790 . 2.290 2.119 2.054 2.205 . 0 0 "[ . 1 .]" 2
31 1 39 GLU O 1 58 THR N 2.740 2.740 3.240 2.745 2.722 2.762 0.018 3 0 "[ . 1 .]" 2
32 1 39 GLU O 1 58 THR H 1.790 . 2.290 1.772 1.757 1.781 0.033 3 0 "[ . 1 .]" 2
33 1 61 ASP O 1 65 ALA N 2.740 2.740 3.240 3.238 3.175 3.269 0.029 3 0 "[ . 1 .]" 2
34 1 61 ASP O 1 65 ALA H 1.790 . 2.290 2.303 2.258 2.323 0.033 15 0 "[ . 1 .]" 2
35 1 62 ARG O 1 66 GLU N 2.740 2.740 3.240 2.817 2.722 2.947 0.018 13 0 "[ . 1 .]" 2
36 1 62 ARG O 1 66 GLU H 1.790 . 2.290 1.907 1.778 2.048 0.012 3 0 "[ . 1 .]" 2
37 1 63 ALA O 1 67 ARG N 2.740 2.740 3.240 2.928 2.797 3.084 . 0 0 "[ . 1 .]" 2
38 1 63 ALA O 1 67 ARG H 1.790 . 2.290 1.981 1.847 2.148 . 0 0 "[ . 1 .]" 2
39 1 64 SER O 1 68 ALA N 2.740 2.740 3.240 3.250 3.239 3.263 0.023 10 0 "[ . 1 .]" 2
40 1 64 SER O 1 68 ALA H 1.790 . 2.290 2.301 2.297 2.310 0.020 3 0 "[ . 1 .]" 2
41 1 65 ALA O 1 69 CYS N 2.740 2.740 3.240 3.055 2.944 3.119 . 0 0 "[ . 1 .]" 2
42 1 65 ALA O 1 69 CYS H 1.790 . 2.290 2.246 2.091 2.301 0.011 5 0 "[ . 1 .]" 2
43 1 66 GLU O 1 70 LYS N 2.740 2.740 3.240 2.830 2.711 2.944 0.029 7 0 "[ . 1 .]" 2
44 1 66 GLU O 1 70 LYS H 1.790 . 2.290 2.227 2.124 2.314 0.024 14 0 "[ . 1 .]" 2
45 1 76 ILE N 1 79 ARG O 2.740 2.740 3.240 2.737 2.725 2.763 0.015 3 0 "[ . 1 .]" 2
46 1 76 ILE H 1 79 ARG O 1.790 . 2.290 1.793 1.781 1.816 0.009 9 0 "[ . 1 .]" 2
47 1 76 ILE O 1 79 ARG N 2.740 2.740 3.240 2.958 2.807 3.165 . 0 0 "[ . 1 .]" 2
48 1 76 ILE O 1 79 ARG H 1.790 . 2.290 2.054 1.925 2.264 . 0 0 "[ . 1 .]" 2
49 1 74 PRO O 1 81 ALA N 2.740 2.740 3.240 2.895 2.766 3.109 . 0 0 "[ . 1 .]" 2
50 1 74 PRO O 1 81 ALA H 1.790 . 2.290 1.925 1.789 2.131 0.001 2 0 "[ . 1 .]" 2
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