NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600756 |
5hvc   |
30007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5hvc
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 1557
_Distance_constraint_stats_list.Viol_count 3158
_Distance_constraint_stats_list.Viol_total 7148.138
_Distance_constraint_stats_list.Viol_max 0.812
_Distance_constraint_stats_list.Viol_rms 0.0445
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.1132
_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 SER 0.005 0.005 8 0 "[ . 1 . 2]"
1 3 HIS 5.992 0.254 1 0 "[ . 1 . 2]"
1 4 MET 16.321 0.352 16 0 "[ . 1 . 2]"
1 5 ARG 16.669 0.520 8 4 "[ .- + 1 . * *2]"
1 6 LEU 5.711 0.302 20 0 "[ . 1 . 2]"
1 7 ASN 5.777 0.376 16 0 "[ . 1 . 2]"
1 8 GLY 0.615 0.133 10 0 "[ . 1 . 2]"
1 9 LEU 12.596 0.517 17 1 "[ . 1 . + 2]"
1 10 SER 15.014 0.812 10 1 "[ . + . 2]"
1 11 PRO 26.698 0.812 10 1 "[ . + . 2]"
1 12 GLN 17.033 0.812 10 1 "[ . + . 2]"
1 13 GLN 13.444 0.323 10 0 "[ . 1 . 2]"
1 14 GLN 14.032 0.517 17 1 "[ . 1 . + 2]"
1 15 GLN 22.276 0.812 10 1 "[ . + . 2]"
1 16 GLN 18.316 0.812 10 1 "[ . + . 2]"
1 17 THR 12.367 0.278 5 0 "[ . 1 . 2]"
1 18 LEU 8.921 0.395 7 0 "[ . 1 . 2]"
1 19 ALA 18.111 0.378 7 0 "[ . 1 . 2]"
1 20 THR 7.073 0.315 14 0 "[ . 1 . 2]"
1 21 LEU 17.410 0.302 20 0 "[ . 1 . 2]"
1 22 VAL 7.208 0.262 14 0 "[ . 1 . 2]"
1 23 ALA 5.834 0.154 10 0 "[ . 1 . 2]"
1 24 ALA 6.177 0.283 15 0 "[ . 1 . 2]"
1 25 ALA 7.358 0.154 10 0 "[ . 1 . 2]"
1 26 THR 12.678 0.499 4 0 "[ . 1 . 2]"
1 27 ALA 10.056 0.499 4 0 "[ . 1 . 2]"
1 28 THR 3.690 0.174 15 0 "[ . 1 . 2]"
1 29 VAL 4.151 0.159 1 0 "[ . 1 . 2]"
1 30 LEU 5.396 0.273 20 0 "[ . 1 . 2]"
1 31 GLY 6.904 0.171 2 0 "[ . 1 . 2]"
1 32 HIS 6.316 0.273 20 0 "[ . 1 . 2]"
1 33 HIS 5.884 0.254 1 0 "[ . 1 . 2]"
1 34 THR 13.029 0.424 3 0 "[ . 1 . 2]"
1 35 PRO 42.596 0.812 10 1 "[ . + . 2]"
1 36 GLU 10.078 0.230 19 0 "[ . 1 . 2]"
1 37 SER 12.257 0.389 9 0 "[ . 1 . 2]"
1 38 ILE 13.741 0.345 12 0 "[ . 1 . 2]"
1 39 SER 0.955 0.143 18 0 "[ . 1 . 2]"
1 40 PRO 25.893 0.323 10 0 "[ . 1 . 2]"
1 41 ALA 19.155 0.345 12 0 "[ . 1 . 2]"
1 42 THR 19.041 0.345 12 0 "[ . 1 . 2]"
1 43 ALA 10.813 0.340 7 0 "[ . 1 . 2]"
1 44 PHE 6.403 0.127 14 0 "[ . 1 . 2]"
1 45 LYS 26.315 0.406 18 0 "[ . 1 . 2]"
1 46 ASP 7.398 0.244 17 0 "[ . 1 . 2]"
1 47 LEU 7.271 0.796 10 1 "[ . + . 2]"
1 48 GLY 0.312 0.052 4 0 "[ . 1 . 2]"
1 49 ILE 15.965 0.345 12 0 "[ . 1 . 2]"
1 50 ASP 0.081 0.078 19 0 "[ . 1 . 2]"
1 51 SER 4.134 0.167 3 0 "[ . 1 . 2]"
1 52 LEU 23.419 0.389 9 0 "[ . 1 . 2]"
1 53 THR 18.699 0.378 7 0 "[ . 1 . 2]"
1 54 ALA 5.053 0.499 4 0 "[ . 1 . 2]"
1 55 LEU 17.825 0.796 10 1 "[ . + . 2]"
1 56 GLU 22.333 0.796 10 1 "[ . + . 2]"
1 57 LEU 12.638 0.488 17 0 "[ . 1 . 2]"
1 58 ARG 38.474 0.812 10 5 "[ .- * + . * *2]"
1 59 ASN 24.271 0.389 9 0 "[ . 1 . 2]"
1 60 THR 6.274 0.154 10 0 "[ . 1 . 2]"
1 61 LEU 13.720 0.225 19 0 "[ . 1 . 2]"
1 62 THR 1.955 0.127 14 0 "[ . 1 . 2]"
1 63 HIS 12.709 0.389 9 0 "[ . 1 . 2]"
1 64 ASN 14.053 0.316 2 0 "[ . 1 . 2]"
1 65 THR 8.621 0.322 6 0 "[ . 1 . 2]"
1 66 GLY 6.157 0.206 6 0 "[ . 1 . 2]"
1 67 LEU 13.551 0.323 9 0 "[ . 1 . 2]"
1 68 ASP 21.507 0.323 9 0 "[ . 1 . 2]"
1 69 LEU 7.523 0.259 3 0 "[ . 1 . 2]"
1 70 PRO 18.521 0.499 4 0 "[ . 1 . 2]"
1 71 PRO 22.555 0.812 10 1 "[ . + . 2]"
1 72 THR 10.214 0.323 10 0 "[ . 1 . 2]"
1 73 LEU 10.643 0.323 10 0 "[ . 1 . 2]"
1 74 ILE 5.779 0.443 2 0 "[ . 1 . 2]"
1 75 PHE 17.823 0.520 8 4 "[ .- + 1 . * *2]"
1 76 ASP 11.945 0.406 18 0 "[ . 1 . 2]"
1 77 HIS 14.104 0.323 11 0 "[ . 1 . 2]"
1 78 PRO 23.725 0.499 4 0 "[ . 1 . 2]"
1 79 THR 5.872 0.234 20 0 "[ . 1 . 2]"
1 80 PRO 10.071 0.406 18 0 "[ . 1 . 2]"
1 81 HIS 17.052 0.261 5 0 "[ . 1 . 2]"
1 82 ALA 3.256 0.144 4 0 "[ . 1 . 2]"
1 83 LEU 10.792 0.378 7 0 "[ . 1 . 2]"
1 84 THR 14.859 0.389 9 0 "[ . 1 . 2]"
1 85 GLN 31.304 0.812 10 1 "[ . + . 2]"
1 86 HIS 14.980 0.250 13 0 "[ . 1 . 2]"
1 87 LEU 13.605 0.796 10 1 "[ . + . 2]"
1 88 HIS 15.166 0.812 2 1 "[ + . 1 . 2]"
1 89 THR 13.593 0.499 4 0 "[ . 1 . 2]"
1 90 ARG 17.606 0.266 16 0 "[ . 1 . 2]"
1 91 LEU 13.515 0.812 2 1 "[ + . 1 . 2]"
1 92 THR 16.493 0.389 9 0 "[ . 1 . 2]"
1 93 GLN 44.383 0.812 10 1 "[ . + . 2]"
1 94 SER 6.339 0.188 1 0 "[ . 1 . 2]"
1 95 HIS 11.911 0.520 8 4 "[ .- + 1 . * *2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 2 SER QB 1.900 . 2.400 2.311 2.178 2.405 0.005 8 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 5 ARG QG 2.300 . 2.900 2.360 2.169 2.684 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 6 LEU H 2.400 . 3.100 2.568 2.424 2.705 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 6 LEU QB 2.600 . 3.500 2.288 1.921 2.456 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 6 LEU QB 2.600 . 3.400 2.288 1.921 2.456 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 9 LEU H 3.000 . 4.200 3.276 3.024 3.450 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 95 HIS H 2.100 . 2.600 2.254 2.061 2.559 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 48 GLY H 2.400 . 3.100 2.475 2.437 2.491 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 78 PRO HA 3.100 . 4.300 3.803 3.773 3.836 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 95 HIS HD2 2.900 . 3.900 3.081 2.252 3.672 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER QB 1 9 LEU H 2.900 . 4.000 2.976 2.863 3.254 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER QB 1 9 LEU HB2 3.200 . 4.500 3.659 2.987 4.151 . 0 0 "[ . 1 . 2]" 1
13 1 2 SER QB 1 9 LEU HB3 3.400 . 4.800 3.877 3.186 4.345 . 0 0 "[ . 1 . 2]" 1
14 1 2 SER QB 1 14 GLN H 2.800 . 3.800 2.799 2.755 2.843 . 0 0 "[ . 1 . 2]" 1
15 1 2 SER QB 1 14 GLN HB2 2.700 . 3.600 2.998 2.942 3.012 . 0 0 "[ . 1 . 2]" 1
16 1 2 SER QB 1 14 GLN HB3 2.800 . 3.800 2.497 2.411 2.677 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER QB 1 14 GLN HG2 2.800 . 3.800 2.513 2.401 2.646 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER QB 1 14 GLN HG3 2.800 . 3.800 3.107 2.959 3.562 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER QB 1 15 GLN H 3.100 . 4.300 3.515 3.502 3.529 . 0 0 "[ . 1 . 2]" 1
20 1 2 SER QB 1 15 GLN HA 3.400 . 4.800 4.175 3.957 4.354 . 0 0 "[ . 1 . 2]" 1
21 1 3 HIS HA 1 3 HIS HB2 2.500 . 3.300 2.979 2.636 3.030 . 0 0 "[ . 1 . 2]" 1
22 1 3 HIS HA 1 3 HIS QB 2.200 . 2.800 2.436 2.361 2.521 . 0 0 "[ . 1 . 2]" 1
23 1 3 HIS HA 1 3 HIS HB3 2.500 . 3.300 2.601 2.464 2.988 . 0 0 "[ . 1 . 2]" 1
24 1 3 HIS HA 1 3 HIS HD2 3.000 . 3.600 3.315 2.575 3.841 0.241 11 0 "[ . 1 . 2]" 1
25 1 3 HIS HA 1 4 MET H 2.600 . 3.500 2.669 2.140 3.556 0.056 11 0 "[ . 1 . 2]" 1
26 1 3 HIS HB2 1 4 MET H 3.200 . 4.500 3.372 2.036 4.009 . 0 0 "[ . 1 . 2]" 1
27 1 3 HIS HB3 1 3 HIS HD2 2.700 . 3.600 2.864 2.683 3.780 0.180 11 0 "[ . 1 . 2]" 1
28 1 3 HIS HB3 1 4 MET H 3.400 . 4.800 2.347 1.865 3.720 0.135 3 0 "[ . 1 . 2]" 1
29 1 3 HIS HB3 1 58 ARG HA 3.300 . 4.700 3.628 3.543 3.747 . 0 0 "[ . 1 . 2]" 1
30 1 3 HIS HB3 1 58 ARG HB2 3.300 . 4.700 2.790 2.147 3.223 . 0 0 "[ . 1 . 2]" 1
31 1 3 HIS HB3 1 58 ARG HB3 3.400 . 4.800 2.575 2.064 3.196 . 0 0 "[ . 1 . 2]" 1
32 1 3 HIS HB3 1 90 ARG HA 2.500 . 3.300 3.404 2.484 3.554 0.254 1 0 "[ . 1 . 2]" 1
33 1 3 HIS HB3 1 90 ARG HD2 1.800 . 2.200 1.747 1.735 1.753 . 0 0 "[ . 1 . 2]" 1
34 1 3 HIS HB3 1 90 ARG QG 2.400 . 3.100 2.170 2.137 2.437 . 0 0 "[ . 1 . 2]" 1
35 1 3 HIS HB3 1 95 HIS HD2 2.800 . 3.800 3.607 2.773 3.933 0.133 1 0 "[ . 1 . 2]" 1
36 1 3 HIS HB3 1 45 LYS QD 1.800 . 2.200 2.076 2.072 2.080 . 0 0 "[ . 1 . 2]" 1
37 1 3 HIS HB3 1 90 ARG QB 3.100 . 4.300 3.383 2.372 3.469 . 0 0 "[ . 1 . 2]" 1
38 1 3 HIS HD2 1 16 GLN HG3 2.900 . 4.000 3.570 2.978 4.006 0.006 17 0 "[ . 1 . 2]" 1
39 1 3 HIS HD2 1 31 GLY HA2 3.500 . 5.000 4.851 4.069 5.080 0.080 14 0 "[ . 1 . 2]" 1
40 1 3 HIS HD2 1 82 ALA H 3.700 . 5.400 3.571 3.261 3.827 . 0 0 "[ . 1 . 2]" 1
41 1 3 HIS HD2 1 83 LEU HG 3.200 . 4.500 4.194 3.991 4.307 . 0 0 "[ . 1 . 2]" 1
42 1 3 HIS HE1 1 45 LYS H 3.400 . 4.800 3.938 3.834 4.048 . 0 0 "[ . 1 . 2]" 1
43 1 3 HIS HE1 1 45 LYS HA 3.100 . 4.300 4.186 3.926 4.300 . 0 0 "[ . 1 . 2]" 1
44 1 3 HIS HE1 1 46 ASP H 2.400 . 3.100 2.684 2.628 2.723 . 0 0 "[ . 1 . 2]" 1
45 1 3 HIS HE1 1 46 ASP HA 2.700 . 3.600 3.440 3.331 3.474 . 0 0 "[ . 1 . 2]" 1
46 1 3 HIS HE1 1 46 ASP QB 2.900 . 4.000 2.897 2.752 3.247 . 0 0 "[ . 1 . 2]" 1
47 1 3 HIS HE1 1 47 LEU HA 2.400 . 3.100 2.854 2.829 2.891 . 0 0 "[ . 1 . 2]" 1
48 1 3 HIS HE1 1 47 LEU QB 2.700 . 3.400 2.344 2.291 2.368 . 0 0 "[ . 1 . 2]" 1
49 1 3 HIS HE1 1 47 LEU HG 2.600 . 3.400 2.400 2.293 2.728 . 0 0 "[ . 1 . 2]" 1
50 1 3 HIS HE1 1 48 GLY H 2.500 . 3.300 2.529 2.324 2.623 . 0 0 "[ . 1 . 2]" 1
51 1 3 HIS HE1 1 55 LEU QB 3.400 . 4.900 4.572 4.377 4.727 . 0 0 "[ . 1 . 2]" 1
52 1 4 MET H 1 4 MET HA 2.800 . 3.800 2.852 2.593 2.935 . 0 0 "[ . 1 . 2]" 1
53 1 4 MET H 1 4 MET HB2 3.000 . 4.200 2.562 2.199 3.520 . 0 0 "[ . 1 . 2]" 1
54 1 4 MET H 1 4 MET HB3 3.200 . 4.500 2.794 2.371 3.508 . 0 0 "[ . 1 . 2]" 1
55 1 4 MET H 1 4 MET HG2 3.400 . 4.900 4.286 1.940 4.544 . 0 0 "[ . 1 . 2]" 1
56 1 4 MET H 1 4 MET HG3 3.500 . 5.000 4.185 2.336 4.701 . 0 0 "[ . 1 . 2]" 1
57 1 4 MET H 1 19 ALA H 2.600 . 3.500 2.526 2.389 2.667 . 0 0 "[ . 1 . 2]" 1
58 1 4 MET H 1 19 ALA HA 2.900 . 4.000 3.494 3.428 3.520 . 0 0 "[ . 1 . 2]" 1
59 1 4 MET H 1 20 THR HA 2.400 . 3.100 2.824 2.779 2.896 . 0 0 "[ . 1 . 2]" 1
60 1 4 MET H 1 21 LEU H 2.700 . 3.600 2.544 2.284 2.698 . 0 0 "[ . 1 . 2]" 1
61 1 4 MET H 1 22 VAL H 3.200 . 4.500 4.346 4.119 4.534 0.034 3 0 "[ . 1 . 2]" 1
62 1 4 MET H 1 55 LEU H 3.400 . 4.800 4.715 4.521 4.801 0.001 1 0 "[ . 1 . 2]" 1
63 1 4 MET H 1 50 ASP HB2 3.600 . 5.200 3.562 2.861 4.656 . 0 0 "[ . 1 . 2]" 1
64 1 4 MET H 1 50 ASP HB3 3.600 . 5.200 2.986 2.695 3.364 . 0 0 "[ . 1 . 2]" 1
65 1 4 MET H 1 51 SER HB2 2.800 . 3.800 3.241 2.646 3.967 0.167 3 0 "[ . 1 . 2]" 1
66 1 4 MET H 1 54 ALA H 2.900 . 4.000 3.821 3.690 3.958 . 0 0 "[ . 1 . 2]" 1
67 1 4 MET H 1 58 ARG HA 3.000 . 4.200 3.344 3.098 3.648 . 0 0 "[ . 1 . 2]" 1
68 1 4 MET H 1 51 SER HA 3.000 . 4.200 3.506 3.459 3.547 . 0 0 "[ . 1 . 2]" 1
69 1 4 MET H 1 51 SER HB3 2.900 . 3.900 3.754 2.790 4.010 0.110 9 0 "[ . 1 . 2]" 1
70 1 4 MET H 1 52 LEU HA 2.500 . 3.300 2.817 2.747 2.866 . 0 0 "[ . 1 . 2]" 1
71 1 4 MET H 1 53 THR H 2.300 . 3.000 2.699 2.580 2.821 . 0 0 "[ . 1 . 2]" 1
72 1 4 MET H 1 61 LEU HA 2.500 . 3.300 2.818 2.797 2.845 . 0 0 "[ . 1 . 2]" 1
73 1 4 MET H 1 88 HIS H 2.800 . 3.800 2.516 2.478 2.577 . 0 0 "[ . 1 . 2]" 1
74 1 4 MET H 1 89 THR HB 2.300 . 2.900 2.550 2.494 2.616 . 0 0 "[ . 1 . 2]" 1
75 1 4 MET H 1 86 HIS HA 3.100 . 4.300 3.470 3.381 3.673 . 0 0 "[ . 1 . 2]" 1
76 1 4 MET H 1 89 THR HA 2.500 . 3.300 2.801 2.769 2.825 . 0 0 "[ . 1 . 2]" 1
77 1 4 MET HA 1 4 MET HB2 2.500 . 3.300 2.582 2.375 2.956 . 0 0 "[ . 1 . 2]" 1
78 1 4 MET HA 1 4 MET HB3 2.500 . 3.300 2.922 2.229 3.003 . 0 0 "[ . 1 . 2]" 1
79 1 4 MET HA 1 4 MET HG2 2.500 . 3.300 2.957 2.600 3.489 0.189 19 0 "[ . 1 . 2]" 1
80 1 4 MET HA 1 4 MET HG3 2.500 . 3.300 2.512 2.179 3.590 0.290 19 0 "[ . 1 . 2]" 1
81 1 4 MET HA 1 5 ARG H 2.400 . 3.100 3.007 2.724 3.452 0.352 16 0 "[ . 1 . 2]" 1
82 1 4 MET HA 1 6 LEU QB 2.400 . 3.100 2.369 2.345 2.401 . 0 0 "[ . 1 . 2]" 1
83 1 4 MET HA 1 20 THR H 2.300 . 3.000 2.393 2.258 2.475 . 0 0 "[ . 1 . 2]" 1
84 1 4 MET HA 1 20 THR HA 2.400 . 3.100 3.016 3.001 3.022 . 0 0 "[ . 1 . 2]" 1
85 1 4 MET HA 1 29 VAL HA 3.000 . 4.200 3.586 3.557 3.636 . 0 0 "[ . 1 . 2]" 1
86 1 4 MET HA 1 38 ILE H 2.700 . 3.600 3.348 3.172 3.398 . 0 0 "[ . 1 . 2]" 1
87 1 4 MET HA 1 45 LYS H 2.500 . 3.300 2.709 2.669 2.725 . 0 0 "[ . 1 . 2]" 1
88 1 4 MET HA 1 45 LYS QE 2.800 . 3.800 2.678 2.347 3.420 . 0 0 "[ . 1 . 2]" 1
89 1 4 MET QB 1 65 THR HA 2.600 . 3.500 1.936 1.739 2.301 . 0 0 "[ . 1 . 2]" 1
90 1 4 MET HB2 1 65 THR HA 2.800 . 3.800 2.031 1.765 3.574 0.035 5 0 "[ . 1 . 2]" 1
91 1 4 MET HB3 1 5 ARG QG 3.100 . 4.300 3.526 2.933 4.449 0.149 19 0 "[ . 1 . 2]" 1
92 1 4 MET HB3 1 58 ARG HA 2.500 . 3.300 2.797 2.484 3.015 . 0 0 "[ . 1 . 2]" 1
93 1 4 MET HB3 1 73 LEU HG 3.000 . 4.100 2.841 2.402 2.934 . 0 0 "[ . 1 . 2]" 1
94 1 4 MET HB3 1 74 ILE H 3.000 . 4.100 2.683 1.982 2.984 . 0 0 "[ . 1 . 2]" 1
95 1 4 MET HB3 1 78 PRO HA 2.800 . 3.800 4.001 3.964 4.030 0.230 19 0 "[ . 1 . 2]" 1
96 1 4 MET HB3 1 78 PRO HD2 2.400 . 3.100 2.275 2.262 2.298 . 0 0 "[ . 1 . 2]" 1
97 1 4 MET HB3 1 78 PRO HD3 2.500 . 3.300 2.775 2.727 2.815 . 0 0 "[ . 1 . 2]" 1
98 1 4 MET HB3 1 87 LEU HA 2.500 . 3.300 2.994 2.985 3.002 . 0 0 "[ . 1 . 2]" 1
99 1 4 MET HB3 1 88 HIS H 2.700 . 3.600 2.942 2.767 3.075 . 0 0 "[ . 1 . 2]" 1
100 1 4 MET HB3 1 78 PRO HB3 2.400 . 3.100 2.864 2.815 2.902 . 0 0 "[ . 1 . 2]" 1
101 1 4 MET HB3 1 72 THR HA 3.000 . 4.100 4.259 4.156 4.423 0.323 10 0 "[ . 1 . 2]" 1
102 1 4 MET HB3 1 65 THR HA 2.800 . 3.800 3.108 2.139 3.852 0.052 14 0 "[ . 1 . 2]" 1
103 1 4 MET QG 1 5 ARG H 3.300 . 4.700 3.727 1.914 4.536 . 0 0 "[ . 1 . 2]" 1
104 1 4 MET HG2 1 5 ARG H 3.600 . 5.300 4.177 2.404 5.309 0.009 18 0 "[ . 1 . 2]" 1
105 1 4 MET HG2 1 5 ARG QG 2.800 . 3.800 2.455 1.798 3.307 0.002 16 0 "[ . 1 . 2]" 1
106 1 4 MET HG2 1 20 THR H 3.400 . 4.800 3.757 2.176 4.510 . 0 0 "[ . 1 . 2]" 1
107 1 4 MET HG2 1 70 PRO HD2 3.100 . 4.300 3.812 3.788 3.841 . 0 0 "[ . 1 . 2]" 1
108 1 4 MET HG2 1 70 PRO HD3 3.000 . 4.100 2.892 2.795 2.979 . 0 0 "[ . 1 . 2]" 1
109 1 4 MET HG2 1 70 PRO HG2 2.500 . 3.300 3.005 2.999 3.012 . 0 0 "[ . 1 . 2]" 1
110 1 4 MET HG2 1 93 GLN HE22 2.800 . 3.800 3.320 3.210 3.490 . 0 0 "[ . 1 . 2]" 1
111 1 4 MET HG2 1 89 THR HA 3.000 . 4.200 3.520 2.996 4.203 0.003 19 0 "[ . 1 . 2]" 1
112 1 4 MET HG2 1 56 GLU H 2.600 . 3.400 2.936 2.735 3.037 . 0 0 "[ . 1 . 2]" 1
113 1 4 MET HG2 1 93 GLN H 2.500 . 3.300 2.719 2.154 3.369 0.069 4 0 "[ . 1 . 2]" 1
114 1 4 MET HG2 1 93 GLN HB3 1.900 . 2.300 2.311 2.173 2.408 0.108 18 0 "[ . 1 . 2]" 1
115 1 4 MET HG2 1 78 PRO HA 2.200 . 2.800 2.275 2.261 2.288 . 0 0 "[ . 1 . 2]" 1
116 1 4 MET HG2 1 78 PRO HG2 2.400 . 3.100 2.866 2.817 2.905 . 0 0 "[ . 1 . 2]" 1
117 1 4 MET HG2 1 78 PRO HG3 2.500 . 3.300 2.258 2.254 2.262 . 0 0 "[ . 1 . 2]" 1
118 1 4 MET HG2 1 65 THR HA 3.000 . 4.100 4.109 2.482 4.422 0.322 6 0 "[ . 1 . 2]" 1
119 1 4 MET HG3 1 5 ARG H 3.600 . 5.300 4.463 1.924 5.021 . 0 0 "[ . 1 . 2]" 1
120 1 4 MET HG3 1 5 ARG QG 2.900 . 3.900 3.432 2.224 4.013 0.113 18 0 "[ . 1 . 2]" 1
121 1 4 MET HG3 1 9 LEU HB2 2.900 . 3.900 3.910 3.496 4.128 0.228 20 0 "[ . 1 . 2]" 1
122 1 4 MET HG3 1 9 LEU HB3 2.700 . 3.600 2.515 2.151 3.088 . 0 0 "[ . 1 . 2]" 1
123 1 4 MET HG3 1 10 SER HB2 3.100 . 4.300 2.510 1.960 3.575 . 0 0 "[ . 1 . 2]" 1
124 1 4 MET HG3 1 10 SER HB3 3.200 . 4.400 3.631 2.287 4.225 . 0 0 "[ . 1 . 2]" 1
125 1 4 MET HG3 1 11 PRO HA 2.300 . 3.000 2.285 2.224 2.322 . 0 0 "[ . 1 . 2]" 1
126 1 4 MET HG3 1 11 PRO HD2 3.000 . 4.100 3.875 3.809 3.985 . 0 0 "[ . 1 . 2]" 1
127 1 4 MET HG3 1 11 PRO HD3 3.000 . 4.100 3.675 3.162 3.980 . 0 0 "[ . 1 . 2]" 1
128 1 4 MET HG3 1 11 PRO HG2 2.400 . 3.100 2.742 2.620 2.910 . 0 0 "[ . 1 . 2]" 1
129 1 4 MET HG3 1 12 GLN HE22 2.200 . 2.800 2.062 1.814 2.161 . 0 0 "[ . 1 . 2]" 1
130 1 4 MET HG3 1 16 GLN HE21 2.600 . 3.400 2.054 1.791 2.762 0.009 16 0 "[ . 1 . 2]" 1
131 1 4 MET HG3 1 86 HIS HA 2.400 . 3.100 3.023 3.018 3.026 . 0 0 "[ . 1 . 2]" 1
132 1 4 MET HG3 1 87 LEU H 2.800 . 3.800 2.401 2.360 2.473 . 0 0 "[ . 1 . 2]" 1
133 1 4 MET HG3 1 16 GLN HA 2.300 . 3.000 2.527 2.442 2.603 . 0 0 "[ . 1 . 2]" 1
134 1 4 MET HG3 1 65 THR HA 3.000 . 4.100 3.446 2.604 4.193 0.093 20 0 "[ . 1 . 2]" 1
135 1 5 ARG H 1 5 ARG HA 2.800 . 3.800 2.787 2.635 2.941 . 0 0 "[ . 1 . 2]" 1
136 1 5 ARG H 1 5 ARG HA 2.500 . 3.300 2.619 2.527 2.750 . 0 0 "[ . 1 . 2]" 1
137 1 5 ARG H 1 5 ARG HB2 2.800 . 3.800 2.459 2.219 2.870 . 0 0 "[ . 1 . 2]" 1
138 1 5 ARG H 1 5 ARG HB2 3.000 . 4.100 2.430 2.213 2.832 . 0 0 "[ . 1 . 2]" 1
139 1 5 ARG H 1 5 ARG HB3 2.700 . 3.600 3.284 2.508 3.709 0.109 16 0 "[ . 1 . 2]" 1
140 1 5 ARG H 1 5 ARG HB3 3.000 . 4.100 3.142 2.472 3.505 . 0 0 "[ . 1 . 2]" 1
141 1 5 ARG H 1 5 ARG QD 3.700 . 4.900 4.072 3.367 4.566 . 0 0 "[ . 1 . 2]" 1
142 1 5 ARG H 1 5 ARG QG 3.200 . 4.500 2.926 1.973 3.738 . 0 0 "[ . 1 . 2]" 1
143 1 5 ARG H 1 6 LEU HA 3.300 . 4.600 2.709 2.535 2.889 . 0 0 "[ . 1 . 2]" 1
144 1 5 ARG H 1 6 LEU QB 3.400 . 4.900 2.355 2.088 2.845 . 0 0 "[ . 1 . 2]" 1
145 1 5 ARG H 1 6 LEU QB 3.500 . 5.000 2.355 2.088 2.845 . 0 0 "[ . 1 . 2]" 1
146 1 5 ARG H 1 7 ASN H 3.100 . 4.300 3.273 2.536 3.693 . 0 0 "[ . 1 . 2]" 1
147 1 5 ARG HA 1 5 ARG HB2 2.500 . 3.300 2.823 2.463 3.012 . 0 0 "[ . 1 . 2]" 1
148 1 5 ARG HA 1 5 ARG HB2 2.300 . 3.000 2.822 2.463 3.011 0.011 6 0 "[ . 1 . 2]" 1
149 1 5 ARG HA 1 5 ARG HB3 2.500 . 3.300 2.671 2.447 3.014 . 0 0 "[ . 1 . 2]" 1
150 1 5 ARG HA 1 5 ARG HB3 2.300 . 2.900 2.671 2.447 3.013 0.113 19 0 "[ . 1 . 2]" 1
151 1 5 ARG HA 1 5 ARG QD 2.400 . 3.100 2.772 1.920 3.358 0.258 8 0 "[ . 1 . 2]" 1
152 1 5 ARG HA 1 5 ARG QG 2.300 . 2.900 2.480 2.235 2.863 . 0 0 "[ . 1 . 2]" 1
153 1 5 ARG HB2 1 5 ARG HB3 1.800 . 2.200 1.745 1.731 1.755 . 0 0 "[ . 1 . 2]" 1
154 1 5 ARG HB2 1 5 ARG HB3 1.800 . 2.200 1.745 1.731 1.755 . 0 0 "[ . 1 . 2]" 1
155 1 5 ARG HB2 1 5 ARG QD 2.200 . 2.800 2.696 2.089 3.224 0.424 16 0 "[ . 1 . 2]" 1
156 1 5 ARG HB2 1 14 GLN H 2.700 . 3.600 2.426 2.102 2.562 . 0 0 "[ . 1 . 2]" 1
157 1 5 ARG HB2 1 14 GLN HA 2.500 . 3.300 2.855 2.669 2.957 . 0 0 "[ . 1 . 2]" 1
158 1 5 ARG HB2 1 14 GLN HG2 2.700 . 3.600 2.335 1.942 2.617 . 0 0 "[ . 1 . 2]" 1
159 1 5 ARG HB2 1 14 GLN HG3 2.700 . 3.600 2.214 2.035 2.383 . 0 0 "[ . 1 . 2]" 1
160 1 5 ARG HB2 1 14 GLN HE21 3.100 . 4.300 4.032 2.711 4.426 0.126 19 0 "[ . 1 . 2]" 1
161 1 5 ARG HB2 1 14 GLN HE22 3.200 . 4.500 4.444 3.779 4.670 0.170 19 0 "[ . 1 . 2]" 1
162 1 5 ARG HB2 1 15 GLN HA 3.000 . 4.100 2.644 1.968 3.956 . 0 0 "[ . 1 . 2]" 1
163 1 5 ARG HB2 1 57 LEU HA 2.500 . 3.300 2.830 2.522 3.001 . 0 0 "[ . 1 . 2]" 1
164 1 5 ARG HB2 1 57 LEU HG 2.300 . 3.000 2.435 2.288 2.956 . 0 0 "[ . 1 . 2]" 1
165 1 5 ARG HB2 1 58 ARG HA 3.000 . 4.100 3.730 2.949 4.325 0.225 19 0 "[ . 1 . 2]" 1
166 1 5 ARG HB2 1 61 LEU HB2 2.800 . 3.800 2.708 2.436 3.005 . 0 0 "[ . 1 . 2]" 1
167 1 5 ARG HB3 1 5 ARG QD 2.400 . 3.100 2.451 2.082 3.207 0.107 18 0 "[ . 1 . 2]" 1
168 1 5 ARG HB3 1 5 ARG QD 2.200 . 2.800 2.451 2.082 3.206 0.406 18 0 "[ . 1 . 2]" 1
169 1 5 ARG HB3 1 5 ARG QG 2.200 . 2.800 2.341 2.130 2.514 . 0 0 "[ . 1 . 2]" 1
170 1 5 ARG HB3 1 6 LEU H 3.100 . 4.300 4.051 3.566 4.323 0.023 6 0 "[ . 1 . 2]" 1
171 1 5 ARG HB3 1 77 HIS HD2 3.000 . 4.200 2.332 2.187 3.112 . 0 0 "[ . 1 . 2]" 1
172 1 5 ARG HB3 1 15 GLN HA 2.100 . 2.600 2.149 2.133 2.167 . 0 0 "[ . 1 . 2]" 1
173 1 5 ARG HB3 1 15 GLN HE22 3.000 . 4.100 2.988 2.911 3.044 . 0 0 "[ . 1 . 2]" 1
174 1 5 ARG HB3 1 16 GLN H 2.600 . 3.400 2.123 2.002 2.220 . 0 0 "[ . 1 . 2]" 1
175 1 5 ARG HB3 1 45 LYS HG2 2.300 . 2.900 2.454 2.431 2.494 . 0 0 "[ . 1 . 2]" 1
176 1 5 ARG HB3 1 78 PRO HA 2.900 . 3.900 3.767 3.648 3.854 . 0 0 "[ . 1 . 2]" 1
177 1 5 ARG HB3 1 78 PRO HB3 2.400 . 3.100 2.255 2.250 2.259 . 0 0 "[ . 1 . 2]" 1
178 1 5 ARG HB3 1 78 PRO HD3 2.500 . 3.300 2.286 2.271 2.309 . 0 0 "[ . 1 . 2]" 1
179 1 5 ARG HB3 1 45 LYS H 2.400 . 3.100 2.485 2.402 2.529 . 0 0 "[ . 1 . 2]" 1
180 1 5 ARG HB3 1 45 LYS HB3 1.700 . 2.100 1.753 1.750 1.756 . 0 0 "[ . 1 . 2]" 1
181 1 5 ARG HB3 1 45 LYS QE 2.800 . 3.800 3.197 1.937 3.705 . 0 0 "[ . 1 . 2]" 1
182 1 5 ARG HB3 1 45 LYS HG3 2.300 . 3.000 2.995 2.985 3.000 0.000 3 0 "[ . 1 . 2]" 1
183 1 5 ARG HB3 1 58 ARG HA 2.500 . 3.300 3.196 2.290 3.450 0.150 17 0 "[ . 1 . 2]" 1
184 1 5 ARG HB3 1 78 PRO HB2 2.500 . 3.300 2.833 2.787 2.881 . 0 0 "[ . 1 . 2]" 1
185 1 5 ARG HB3 1 78 PRO HD2 2.500 . 3.300 2.940 2.910 2.971 . 0 0 "[ . 1 . 2]" 1
186 1 5 ARG HB3 1 15 GLN HB3 1.600 . 1.900 1.707 1.702 1.711 . 0 0 "[ . 1 . 2]" 1
187 1 5 ARG HB3 1 88 HIS HD2 3.200 . 4.500 3.468 3.010 4.057 . 0 0 "[ . 1 . 2]" 1
188 1 5 ARG HB3 1 88 HIS HE1 3.100 . 4.300 3.394 3.217 3.633 . 0 0 "[ . 1 . 2]" 1
189 1 5 ARG HB3 1 15 GLN H 2.400 . 3.100 1.944 1.868 2.023 . 0 0 "[ . 1 . 2]" 1
190 1 5 ARG HB3 1 15 GLN HG3 1.600 . 1.900 1.709 1.703 1.715 . 0 0 "[ . 1 . 2]" 1
191 1 5 ARG HB3 1 80 PRO HD2 2.800 . 3.800 2.304 2.299 2.308 . 0 0 "[ . 1 . 2]" 1
192 1 5 ARG HB3 1 70 PRO HD3 2.600 . 3.400 2.318 2.304 2.337 . 0 0 "[ . 1 . 2]" 1
193 1 5 ARG QD 1 5 ARG QG 2.100 . 2.500 2.074 2.058 2.084 . 0 0 "[ . 1 . 2]" 1
194 1 5 ARG QD 1 58 ARG HA 3.500 . 5.000 3.677 3.587 3.811 . 0 0 "[ . 1 . 2]" 1
195 1 5 ARG QD 1 58 ARG HG3 2.900 . 3.900 2.383 2.316 2.458 . 0 0 "[ . 1 . 2]" 1
196 1 5 ARG QD 1 59 ASN HA 2.900 . 4.000 2.821 2.438 4.011 0.011 10 0 "[ . 1 . 2]" 1
197 1 5 ARG QD 1 75 PHE HA 2.300 . 2.900 2.542 2.523 2.562 . 0 0 "[ . 1 . 2]" 1
198 1 5 ARG QD 1 76 ASP HA 3.300 . 4.700 4.385 4.256 4.435 . 0 0 "[ . 1 . 2]" 1
199 1 5 ARG QD 1 95 HIS H 2.900 . 4.000 2.936 2.367 3.625 . 0 0 "[ . 1 . 2]" 1
200 1 5 ARG QD 1 95 HIS HA 2.000 . 2.500 2.615 2.423 3.020 0.520 8 4 "[ .- + 1 . * *2]" 1
201 1 5 ARG QD 1 95 HIS HD2 3.000 . 4.100 3.230 2.793 3.955 . 0 0 "[ . 1 . 2]" 1
202 1 5 ARG QG 1 6 LEU H 2.700 . 3.600 2.130 1.778 2.481 0.022 8 0 "[ . 1 . 2]" 1
203 1 5 ARG QG 1 6 LEU HA 2.100 . 2.700 2.262 2.212 2.313 . 0 0 "[ . 1 . 2]" 1
204 1 5 ARG QG 1 18 LEU HA 2.800 . 3.800 3.802 3.678 4.005 0.205 3 0 "[ . 1 . 2]" 1
205 1 5 ARG QG 1 21 LEU HB2 2.300 . 2.900 2.415 2.205 2.977 0.077 18 0 "[ . 1 . 2]" 1
206 1 5 ARG QG 1 21 LEU HB3 2.400 . 3.100 2.815 2.502 2.935 . 0 0 "[ . 1 . 2]" 1
207 1 5 ARG QG 1 75 PHE H 3.000 . 4.100 2.987 2.836 3.131 . 0 0 "[ . 1 . 2]" 1
208 1 5 ARG QG 1 47 LEU HA 2.200 . 2.800 2.384 2.373 2.410 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU H 1 7 ASN H 3.100 . 4.300 3.312 2.549 3.750 . 0 0 "[ . 1 . 2]" 1
210 1 6 LEU QB 1 9 LEU H 2.400 . 3.100 3.062 2.336 3.283 0.183 14 0 "[ . 1 . 2]" 1
211 1 6 LEU QB 1 14 GLN HE21 3.000 . 4.100 2.293 1.711 3.194 0.189 16 0 "[ . 1 . 2]" 1
212 1 6 LEU QB 1 14 GLN HE22 3.100 . 4.300 3.351 2.323 4.109 . 0 0 "[ . 1 . 2]" 1
213 1 6 LEU QB 1 7 ASN HD21 3.400 . 4.900 3.622 2.494 4.716 . 0 0 "[ . 1 . 2]" 1
214 1 6 LEU QB 1 9 LEU H 3.200 . 4.500 2.605 1.717 4.037 0.183 16 0 "[ . 1 . 2]" 1
215 1 6 LEU QB 1 45 LYS H 2.300 . 3.000 2.477 2.414 2.541 . 0 0 "[ . 1 . 2]" 1
216 1 6 LEU QB 1 45 LYS QE 1.700 . 2.100 2.063 2.057 2.067 . 0 0 "[ . 1 . 2]" 1
217 1 6 LEU QB 1 45 LYS HG2 1.700 . 2.100 2.038 1.993 2.149 0.049 9 0 "[ . 1 . 2]" 1
218 1 6 LEU QB 1 45 LYS HG3 1.800 . 2.200 2.149 2.017 2.208 0.008 14 0 "[ . 1 . 2]" 1
219 1 6 LEU QB 1 31 GLY H 3.400 . 4.800 3.957 3.779 4.420 . 0 0 "[ . 1 . 2]" 1
220 1 6 LEU HG 1 7 ASN HD21 3.500 . 5.100 4.244 2.626 5.230 0.130 11 0 "[ . 1 . 2]" 1
221 1 6 LEU HG 1 9 LEU H 2.500 . 3.300 2.798 2.167 3.602 0.302 20 0 "[ . 1 . 2]" 1
222 1 7 ASN H 1 7 ASN HA 2.600 . 3.500 2.842 2.710 2.915 . 0 0 "[ . 1 . 2]" 1
223 1 7 ASN H 1 7 ASN QB 2.500 . 3.300 2.432 2.247 2.758 . 0 0 "[ . 1 . 2]" 1
224 1 7 ASN HA 1 7 ASN QB 2.300 . 2.600 2.313 2.175 2.458 . 0 0 "[ . 1 . 2]" 1
225 1 7 ASN HA 1 7 ASN HD21 3.100 . 4.300 2.916 1.783 4.366 0.117 20 0 "[ . 1 . 2]" 1
226 1 7 ASN HA 1 9 LEU H 2.700 . 3.600 3.048 1.804 3.744 0.144 6 0 "[ . 1 . 2]" 1
227 1 7 ASN HA 1 37 SER HB2 1.700 . 2.100 2.089 2.021 2.152 0.052 4 0 "[ . 1 . 2]" 1
228 1 7 ASN HA 1 80 PRO HD2 2.400 . 3.100 2.280 2.202 2.359 . 0 0 "[ . 1 . 2]" 1
229 1 7 ASN HA 1 80 PRO HD3 2.400 . 3.100 2.225 2.190 2.260 . 0 0 "[ . 1 . 2]" 1
230 1 7 ASN HA 1 80 PRO HG2 3.000 . 4.100 4.046 4.013 4.088 . 0 0 "[ . 1 . 2]" 1
231 1 7 ASN HA 1 80 PRO HG3 3.100 . 4.300 4.061 4.034 4.088 . 0 0 "[ . 1 . 2]" 1
232 1 7 ASN QB 1 7 ASN HD21 3.000 . 4.100 2.239 2.097 2.767 . 0 0 "[ . 1 . 2]" 1
233 1 7 ASN QB 1 7 ASN HD22 3.400 . 4.800 3.279 3.198 3.472 . 0 0 "[ . 1 . 2]" 1
234 1 7 ASN QB 1 7 ASN HD22 2.800 . 3.800 3.279 3.198 3.472 . 0 0 "[ . 1 . 2]" 1
235 1 7 ASN QB 1 9 LEU H 3.600 . 5.200 4.287 3.458 4.859 . 0 0 "[ . 1 . 2]" 1
236 1 7 ASN QB 1 49 ILE HB 2.700 . 3.600 3.451 3.372 3.533 . 0 0 "[ . 1 . 2]" 1
237 1 7 ASN HD21 1 14 GLN HG2 3.100 . 4.300 3.505 3.430 3.785 . 0 0 "[ . 1 . 2]" 1
238 1 7 ASN HD21 1 14 GLN HG3 3.200 . 4.500 3.895 3.409 4.075 . 0 0 "[ . 1 . 2]" 1
239 1 7 ASN HD21 1 15 GLN HA 3.600 . 5.300 4.203 4.097 4.354 . 0 0 "[ . 1 . 2]" 1
240 1 7 ASN HD21 1 15 GLN QB 3.200 . 4.400 2.343 1.824 2.801 0.176 15 0 "[ . 1 . 2]" 1
241 1 7 ASN HD21 1 85 GLN HA 3.200 . 4.500 3.604 2.773 4.495 . 0 0 "[ . 1 . 2]" 1
242 1 7 ASN HD21 1 85 GLN HB2 3.200 . 4.500 3.407 2.204 3.743 . 0 0 "[ . 1 . 2]" 1
243 1 7 ASN HD21 1 85 GLN HG2 2.500 . 3.300 2.592 2.213 3.253 . 0 0 "[ . 1 . 2]" 1
244 1 7 ASN HD21 1 85 GLN HG3 2.600 . 3.400 2.966 2.186 3.298 . 0 0 "[ . 1 . 2]" 1
245 1 7 ASN HD21 1 95 HIS HA 2.700 . 3.600 3.146 2.254 3.976 0.376 16 0 "[ . 1 . 2]" 1
246 1 7 ASN HD21 1 95 HIS HB2 2.900 . 3.900 3.253 2.792 3.955 0.055 13 0 "[ . 1 . 2]" 1
247 1 7 ASN HD21 1 95 HIS HB3 2.900 . 3.900 3.613 2.776 3.946 0.046 6 0 "[ . 1 . 2]" 1
248 1 7 ASN HD22 1 57 LEU H 2.700 . 3.600 2.899 2.669 3.114 . 0 0 "[ . 1 . 2]" 1
249 1 7 ASN HD22 1 57 LEU HB3 3.000 . 4.100 2.650 2.082 3.006 . 0 0 "[ . 1 . 2]" 1
250 1 7 ASN HD22 1 58 ARG HA 2.600 . 3.400 2.738 2.711 2.788 . 0 0 "[ . 1 . 2]" 1
251 1 7 ASN HD22 1 58 ARG HG2 3.100 . 4.300 3.970 3.293 4.415 0.115 8 0 "[ . 1 . 2]" 1
252 1 8 GLY HA2 1 9 LEU H 2.900 . 4.000 3.466 3.334 3.534 . 0 0 "[ . 1 . 2]" 1
253 1 8 GLY HA2 1 10 SER H 2.600 . 3.400 2.561 2.347 3.533 0.133 10 0 "[ . 1 . 2]" 1
254 1 8 GLY HA2 1 21 LEU H 2.900 . 3.900 3.510 3.486 3.525 . 0 0 "[ . 1 . 2]" 1
255 1 8 GLY HA2 1 23 ALA H 2.400 . 3.100 2.696 2.654 2.740 . 0 0 "[ . 1 . 2]" 1
256 1 8 GLY HA2 1 49 ILE H 2.500 . 3.300 2.826 2.799 2.861 . 0 0 "[ . 1 . 2]" 1
257 1 8 GLY HA2 1 38 ILE HB 2.500 . 3.300 2.816 2.778 2.857 . 0 0 "[ . 1 . 2]" 1
258 1 8 GLY HA2 1 38 ILE HG12 2.600 . 3.500 2.943 2.860 3.022 . 0 0 "[ . 1 . 2]" 1
259 1 8 GLY HA2 1 38 ILE HG13 2.500 . 3.300 2.585 2.438 2.827 . 0 0 "[ . 1 . 2]" 1
260 1 8 GLY HA2 1 35 PRO HA 2.700 . 3.600 3.213 3.044 3.425 . 0 0 "[ . 1 . 2]" 1
261 1 8 GLY HA2 1 53 THR H 2.600 . 3.400 2.806 2.767 2.829 . 0 0 "[ . 1 . 2]" 1
262 1 8 GLY HA2 1 24 ALA H 2.400 . 3.100 2.697 2.686 2.710 . 0 0 "[ . 1 . 2]" 1
263 1 8 GLY HA2 1 74 ILE H 3.200 . 4.500 3.483 3.453 3.524 . 0 0 "[ . 1 . 2]" 1
264 1 8 GLY HA2 1 76 ASP H 2.500 . 3.300 2.780 2.738 2.811 . 0 0 "[ . 1 . 2]" 1
265 1 8 GLY HA2 1 76 ASP HB2 2.400 . 3.100 2.548 2.486 2.792 . 0 0 "[ . 1 . 2]" 1
266 1 8 GLY HA2 1 76 ASP HB3 2.300 . 3.000 2.730 2.586 2.837 . 0 0 "[ . 1 . 2]" 1
267 1 8 GLY HA2 1 77 HIS H 2.600 . 3.400 3.214 3.148 3.278 . 0 0 "[ . 1 . 2]" 1
268 1 8 GLY HA2 1 77 HIS HD2 2.700 . 3.600 2.913 2.485 3.571 . 0 0 "[ . 1 . 2]" 1
269 1 8 GLY HA2 1 54 ALA H 2.900 . 3.900 3.484 3.470 3.510 . 0 0 "[ . 1 . 2]" 1
270 1 8 GLY HA2 1 73 LEU H 2.500 . 3.300 2.677 2.660 2.698 . 0 0 "[ . 1 . 2]" 1
271 1 8 GLY HA2 1 15 GLN H 2.900 . 4.000 3.127 2.941 3.269 . 0 0 "[ . 1 . 2]" 1
272 1 8 GLY HA2 1 71 PRO HB2 2.200 . 2.800 2.700 2.654 2.738 . 0 0 "[ . 1 . 2]" 1
273 1 8 GLY HA2 1 80 PRO HG2 2.800 . 3.800 3.641 3.605 3.663 . 0 0 "[ . 1 . 2]" 1
274 1 8 GLY HA2 1 83 LEU HB2 2.700 . 3.600 2.710 2.660 2.737 . 0 0 "[ . 1 . 2]" 1
275 1 8 GLY HA2 1 72 THR H 2.800 . 3.800 3.242 3.122 3.328 . 0 0 "[ . 1 . 2]" 1
276 1 8 GLY HA3 1 9 LEU H 3.000 . 4.200 2.990 2.872 3.299 . 0 0 "[ . 1 . 2]" 1
277 1 8 GLY HA3 1 74 ILE H 2.900 . 4.000 2.770 2.756 2.788 . 0 0 "[ . 1 . 2]" 1
278 1 8 GLY HA3 1 74 ILE HB 2.500 . 3.300 3.002 2.995 3.017 . 0 0 "[ . 1 . 2]" 1
279 1 8 GLY HA3 1 74 ILE HG12 2.900 . 3.900 3.357 3.259 3.400 . 0 0 "[ . 1 . 2]" 1
280 1 8 GLY HA3 1 74 ILE HG13 2.800 . 3.800 3.820 3.748 3.847 0.047 14 0 "[ . 1 . 2]" 1
281 1 8 GLY HA3 1 75 PHE H 3.100 . 4.300 3.457 3.427 3.478 . 0 0 "[ . 1 . 2]" 1
282 1 8 GLY HA3 1 88 HIS H 2.700 . 3.600 2.837 2.826 2.849 . 0 0 "[ . 1 . 2]" 1
283 1 8 GLY HA3 1 88 HIS HB2 2.600 . 3.500 2.494 2.466 2.519 . 0 0 "[ . 1 . 2]" 1
284 1 8 GLY HA3 1 88 HIS HB3 2.700 . 3.600 3.027 3.024 3.033 . 0 0 "[ . 1 . 2]" 1
285 1 8 GLY HA3 1 88 HIS HD2 2.600 . 3.400 2.529 2.428 2.646 . 0 0 "[ . 1 . 2]" 1
286 1 9 LEU H 1 9 LEU HA 2.800 . 3.800 2.887 2.836 2.928 . 0 0 "[ . 1 . 2]" 1
287 1 9 LEU H 1 9 LEU HB2 2.600 . 3.400 2.389 2.090 2.540 . 0 0 "[ . 1 . 2]" 1
288 1 9 LEU H 1 9 LEU HB3 2.900 . 4.000 3.584 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
289 1 9 LEU H 1 10 SER H 3.200 . 4.500 4.548 4.482 4.607 0.107 10 0 "[ . 1 . 2]" 1
290 1 9 LEU H 1 14 GLN HA 3.300 . 4.700 4.314 3.896 4.654 . 0 0 "[ . 1 . 2]" 1
291 1 9 LEU H 1 14 GLN HB2 3.600 . 5.200 4.027 2.712 4.416 . 0 0 "[ . 1 . 2]" 1
292 1 9 LEU H 1 14 GLN HB3 3.700 . 5.400 3.299 1.828 4.049 0.172 10 0 "[ . 1 . 2]" 1
293 1 9 LEU H 1 14 GLN HG2 2.800 . 3.800 2.298 2.148 2.963 . 0 0 "[ . 1 . 2]" 1
294 1 9 LEU H 1 14 GLN HG3 2.900 . 3.900 3.066 2.171 3.399 . 0 0 "[ . 1 . 2]" 1
295 1 9 LEU H 1 14 GLN HG3 3.300 . 4.600 4.344 3.600 5.117 0.517 17 1 "[ . 1 . + 2]" 1
296 1 9 LEU HA 1 9 LEU HB2 3.000 . 4.100 3.008 2.909 3.021 . 0 0 "[ . 1 . 2]" 1
297 1 9 LEU HA 1 9 LEU HB2 2.700 . 3.600 3.008 2.909 3.021 . 0 0 "[ . 1 . 2]" 1
298 1 9 LEU HA 1 9 LEU HB3 2.900 . 4.000 2.523 2.409 2.755 . 0 0 "[ . 1 . 2]" 1
299 1 9 LEU HA 1 9 LEU HB3 2.500 . 3.300 2.465 2.337 2.544 . 0 0 "[ . 1 . 2]" 1
300 1 9 LEU HA 1 9 LEU HG 2.900 . 3.900 3.591 2.728 3.758 . 0 0 "[ . 1 . 2]" 1
301 1 9 LEU HA 1 10 SER H 2.400 . 3.100 2.223 2.146 2.361 . 0 0 "[ . 1 . 2]" 1
302 1 9 LEU HA 1 13 GLN HB2 3.100 . 4.300 3.703 3.208 4.111 . 0 0 "[ . 1 . 2]" 1
303 1 9 LEU HA 1 13 GLN HB3 3.400 . 4.800 4.321 3.677 4.801 0.001 13 0 "[ . 1 . 2]" 1
304 1 9 LEU HA 1 13 GLN HB3 2.900 . 3.900 3.575 3.047 4.056 0.156 10 0 "[ . 1 . 2]" 1
305 1 9 LEU HA 1 13 GLN QG 3.500 . 5.000 3.822 3.252 4.387 . 0 0 "[ . 1 . 2]" 1
306 1 9 LEU HA 1 45 LYS QD 3.400 . 4.900 4.918 4.423 5.095 0.195 13 0 "[ . 1 . 2]" 1
307 1 9 LEU HB2 1 10 SER H 3.300 . 4.700 3.999 3.800 4.307 . 0 0 "[ . 1 . 2]" 1
308 1 9 LEU HB2 1 13 GLN HB2 3.100 . 4.300 3.595 3.381 3.900 . 0 0 "[ . 1 . 2]" 1
309 1 9 LEU HB2 1 13 GLN QG 3.400 . 4.800 4.908 4.827 5.023 0.223 16 0 "[ . 1 . 2]" 1
310 1 9 LEU HB2 1 14 GLN HG2 2.900 . 4.000 2.459 1.967 2.892 . 0 0 "[ . 1 . 2]" 1
311 1 9 LEU HB2 1 14 GLN HG3 3.000 . 4.100 2.667 2.191 3.505 . 0 0 "[ . 1 . 2]" 1
312 1 9 LEU HB2 1 55 LEU H 2.100 . 2.700 2.077 2.046 2.109 . 0 0 "[ . 1 . 2]" 1
313 1 9 LEU HB2 1 55 LEU HA 2.100 . 2.600 2.192 2.160 2.265 . 0 0 "[ . 1 . 2]" 1
314 1 9 LEU HB2 1 56 GLU H 2.400 . 3.100 2.849 2.382 3.077 . 0 0 "[ . 1 . 2]" 1
315 1 9 LEU HB2 1 76 ASP H 2.600 . 3.400 2.772 2.582 3.507 0.107 12 0 "[ . 1 . 2]" 1
316 1 9 LEU HB3 1 10 SER H 2.800 . 3.800 2.866 2.596 3.073 . 0 0 "[ . 1 . 2]" 1
317 1 9 LEU HB3 1 13 GLN QG 2.900 . 4.000 3.284 2.655 3.487 . 0 0 "[ . 1 . 2]" 1
318 1 9 LEU HB3 1 14 GLN H 3.100 . 4.300 3.205 2.651 3.592 . 0 0 "[ . 1 . 2]" 1
319 1 9 LEU HB3 1 10 SER H 3.200 . 4.500 2.895 2.610 3.240 . 0 0 "[ . 1 . 2]" 1
320 1 9 LEU HB3 1 14 GLN HG2 3.100 . 4.300 3.477 2.145 3.864 . 0 0 "[ . 1 . 2]" 1
321 1 9 LEU HB3 1 14 GLN HG3 3.100 . 4.300 3.037 2.697 3.454 . 0 0 "[ . 1 . 2]" 1
322 1 9 LEU HG 1 10 SER H 3.500 . 5.100 4.889 3.553 5.141 0.041 19 0 "[ . 1 . 2]" 1
323 1 10 SER H 1 10 SER HA 2.900 . 4.000 2.838 2.797 2.905 . 0 0 "[ . 1 . 2]" 1
324 1 10 SER H 1 10 SER HB2 2.800 . 3.800 2.565 2.349 3.557 . 0 0 "[ . 1 . 2]" 1
325 1 10 SER H 1 10 SER HB3 3.100 . 4.300 3.456 2.703 3.602 . 0 0 "[ . 1 . 2]" 1
326 1 10 SER H 1 11 PRO HD2 3.800 . 5.600 4.831 4.608 5.038 . 0 0 "[ . 1 . 2]" 1
327 1 10 SER H 1 11 PRO HD3 3.800 . 5.600 5.047 4.804 5.381 . 0 0 "[ . 1 . 2]" 1
328 1 10 SER H 1 13 GLN H 3.200 . 4.500 4.188 3.973 4.402 . 0 0 "[ . 1 . 2]" 1
329 1 10 SER H 1 13 GLN H 2.700 . 3.600 2.617 2.530 2.720 . 0 0 "[ . 1 . 2]" 1
330 1 10 SER H 1 13 GLN HB2 2.900 . 4.000 2.749 2.373 2.949 . 0 0 "[ . 1 . 2]" 1
331 1 10 SER H 1 13 GLN HB3 3.000 . 4.100 3.985 3.662 4.168 0.068 13 0 "[ . 1 . 2]" 1
332 1 10 SER H 1 13 GLN HB3 2.400 . 3.100 2.700 2.405 3.017 . 0 0 "[ . 1 . 2]" 1
333 1 10 SER H 1 13 GLN QG 3.000 . 4.100 2.749 2.430 3.102 . 0 0 "[ . 1 . 2]" 1
334 1 10 SER H 1 35 PRO HG2 3.200 . 4.500 3.895 3.725 4.023 . 0 0 "[ . 1 . 2]" 1
335 1 10 SER H 1 80 PRO HA 3.300 . 4.700 3.550 3.540 3.562 . 0 0 "[ . 1 . 2]" 1
336 1 10 SER H 1 80 PRO HB2 3.200 . 4.400 2.655 2.594 2.695 . 0 0 "[ . 1 . 2]" 1
337 1 10 SER H 1 80 PRO HB3 3.000 . 4.200 3.995 3.953 4.024 . 0 0 "[ . 1 . 2]" 1
338 1 10 SER H 1 80 PRO HD2 3.400 . 4.800 2.680 2.629 2.721 . 0 0 "[ . 1 . 2]" 1
339 1 10 SER H 1 80 PRO HD3 3.200 . 4.500 3.954 3.916 3.980 . 0 0 "[ . 1 . 2]" 1
340 1 10 SER H 1 80 PRO HG2 3.500 . 5.100 3.924 3.863 4.006 . 0 0 "[ . 1 . 2]" 1
341 1 10 SER H 1 82 ALA H 2.700 . 3.600 2.754 2.663 2.827 . 0 0 "[ . 1 . 2]" 1
342 1 10 SER HA 1 10 SER HB2 2.800 . 3.800 2.965 2.587 3.035 . 0 0 "[ . 1 . 2]" 1
343 1 10 SER HA 1 10 SER HB2 2.200 . 2.800 2.272 2.047 2.600 . 0 0 "[ . 1 . 2]" 1
344 1 10 SER HA 1 10 SER HB3 2.700 . 3.600 2.501 2.355 3.024 . 0 0 "[ . 1 . 2]" 1
345 1 10 SER HA 1 11 PRO HB3 3.600 . 5.200 5.510 5.326 5.645 0.445 6 0 "[ . 1 . 2]" 1
346 1 10 SER HA 1 11 PRO HD2 2.800 . 3.700 2.383 2.081 2.835 . 0 0 "[ . 1 . 2]" 1
347 1 10 SER HA 1 11 PRO HD3 2.800 . 3.800 2.342 2.126 2.695 . 0 0 "[ . 1 . 2]" 1
348 1 10 SER HA 1 11 PRO HG2 3.100 . 4.300 4.439 4.254 4.699 0.399 6 0 "[ . 1 . 2]" 1
349 1 10 SER HA 1 11 PRO HG3 3.500 . 5.000 4.426 4.308 4.622 . 0 0 "[ . 1 . 2]" 1
350 1 10 SER HA 1 12 GLN H 3.600 . 5.200 4.655 4.421 4.935 . 0 0 "[ . 1 . 2]" 1
351 1 10 SER HB2 1 39 SER H 2.200 . 2.800 2.024 2.011 2.043 . 0 0 "[ . 1 . 2]" 1
352 1 10 SER HB2 1 49 ILE HB 2.700 . 3.600 2.974 2.947 2.988 . 0 0 "[ . 1 . 2]" 1
353 1 10 SER HB2 1 49 ILE HG12 2.900 . 3.900 2.469 2.112 2.592 . 0 0 "[ . 1 . 2]" 1
354 1 10 SER HB2 1 49 ILE HG13 2.900 . 4.000 3.547 3.437 3.587 . 0 0 "[ . 1 . 2]" 1
355 1 10 SER HB2 1 50 ASP H 2.300 . 3.000 2.116 2.093 2.145 . 0 0 "[ . 1 . 2]" 1
356 1 10 SER HB2 1 50 ASP HB2 3.300 . 4.600 4.287 4.201 4.460 . 0 0 "[ . 1 . 2]" 1
357 1 10 SER HB2 1 12 GLN H 2.600 . 3.400 2.746 2.694 2.806 . 0 0 "[ . 1 . 2]" 1
358 1 10 SER HB2 1 13 GLN H 3.700 . 5.400 3.173 2.589 4.418 . 0 0 "[ . 1 . 2]" 1
359 1 10 SER HB3 1 11 PRO HD2 2.900 . 4.000 2.360 1.919 3.407 . 0 0 "[ . 1 . 2]" 1
360 1 10 SER HB3 1 11 PRO HD3 2.900 . 4.000 3.011 2.831 3.273 . 0 0 "[ . 1 . 2]" 1
361 1 10 SER HB3 1 12 GLN H 3.100 . 4.300 3.190 3.065 3.520 . 0 0 "[ . 1 . 2]" 1
362 1 10 SER HB3 1 75 PHE HB2 2.400 . 3.100 3.008 3.003 3.014 . 0 0 "[ . 1 . 2]" 1
363 1 10 SER HB3 1 75 PHE HB3 2.400 . 3.100 2.542 2.523 2.562 . 0 0 "[ . 1 . 2]" 1
364 1 10 SER HB3 1 84 THR H 2.500 . 3.300 2.798 2.784 2.810 . 0 0 "[ . 1 . 2]" 1
365 1 10 SER HB3 1 93 GLN QG 2.200 . 2.800 2.830 2.236 3.189 0.389 9 0 "[ . 1 . 2]" 1
366 1 10 SER HB3 1 11 PRO HG3 3.100 . 4.300 3.989 3.443 5.112 0.812 10 1 "[ . + . 2]" 1
367 1 10 SER HB3 1 13 GLN H 3.700 . 5.400 3.943 2.735 4.970 . 0 0 "[ . 1 . 2]" 1
368 1 10 SER HB3 1 38 ILE H 2.600 . 3.400 3.014 2.971 3.093 . 0 0 "[ . 1 . 2]" 1
369 1 10 SER HB3 1 52 LEU H 2.500 . 3.300 2.816 2.746 2.866 . 0 0 "[ . 1 . 2]" 1
370 1 10 SER HB3 1 52 LEU HB2 2.200 . 2.800 2.685 2.499 2.889 0.089 3 0 "[ . 1 . 2]" 1
371 1 10 SER HB3 1 52 LEU HB3 2.200 . 2.800 2.668 2.402 2.988 0.188 1 0 "[ . 1 . 2]" 1
372 1 10 SER HB3 1 78 PRO HB2 3.300 . 4.600 3.592 3.531 3.668 . 0 0 "[ . 1 . 2]" 1
373 1 10 SER HB3 1 53 THR H 2.900 . 3.900 3.536 3.518 3.562 . 0 0 "[ . 1 . 2]" 1
374 1 10 SER HB3 1 55 LEU QB 2.700 . 3.600 2.723 2.344 2.856 . 0 0 "[ . 1 . 2]" 1
375 1 10 SER HB3 1 54 ALA H 3.400 . 4.800 4.407 4.318 4.459 . 0 0 "[ . 1 . 2]" 1
376 1 11 PRO HA 1 11 PRO HB2 2.500 . 3.300 2.953 2.875 2.992 . 0 0 "[ . 1 . 2]" 1
377 1 11 PRO HA 1 11 PRO HB2 2.400 . 3.100 2.952 2.874 2.991 . 0 0 "[ . 1 . 2]" 1
378 1 11 PRO HA 1 11 PRO HB3 2.300 . 3.000 2.287 2.225 2.323 . 0 0 "[ . 1 . 2]" 1
379 1 11 PRO HA 1 11 PRO HG2 2.800 . 3.800 3.838 3.767 3.903 0.103 17 0 "[ . 1 . 2]" 1
380 1 11 PRO HA 1 11 PRO HG2 2.700 . 3.600 3.664 3.556 3.772 0.172 8 0 "[ . 1 . 2]" 1
381 1 11 PRO HA 1 11 PRO HG3 2.500 . 3.300 2.950 2.652 3.341 0.041 15 0 "[ . 1 . 2]" 1
382 1 11 PRO HA 1 11 PRO HG3 2.700 . 3.600 3.079 2.713 3.570 . 0 0 "[ . 1 . 2]" 1
383 1 11 PRO HA 1 12 GLN H 3.700 . 5.400 3.584 3.567 3.618 . 0 0 "[ . 1 . 2]" 1
384 1 11 PRO HA 1 14 GLN H 3.100 . 4.100 3.660 3.523 3.772 . 0 0 "[ . 1 . 2]" 1
385 1 11 PRO HA 1 14 GLN HB2 3.200 . 3.900 2.729 2.461 2.968 . 0 0 "[ . 1 . 2]" 1
386 1 11 PRO HA 1 14 GLN HB3 3.100 . 4.300 4.240 3.873 4.498 0.198 10 0 "[ . 1 . 2]" 1
387 1 11 PRO HA 1 14 GLN HG2 3.500 . 5.100 4.660 4.089 5.075 . 0 0 "[ . 1 . 2]" 1
388 1 11 PRO HA 1 14 GLN HG3 3.400 . 4.500 3.384 2.825 3.889 . 0 0 "[ . 1 . 2]" 1
389 1 11 PRO HA 1 15 GLN H 3.000 . 4.100 4.179 4.121 4.242 0.142 19 0 "[ . 1 . 2]" 1
390 1 11 PRO HA 1 47 LEU H 2.500 . 3.300 2.854 2.829 2.890 . 0 0 "[ . 1 . 2]" 1
391 1 11 PRO HA 1 47 LEU QB 2.600 . 3.400 2.384 2.373 2.410 . 0 0 "[ . 1 . 2]" 1
392 1 11 PRO HA 1 47 LEU HG 2.700 . 3.600 2.906 2.696 2.959 . 0 0 "[ . 1 . 2]" 1
393 1 11 PRO HA 1 88 HIS HE1 3.100 . 4.300 3.415 2.675 4.235 . 0 0 "[ . 1 . 2]" 1
394 1 11 PRO HA 1 92 THR H 2.500 . 3.300 2.878 2.842 2.904 . 0 0 "[ . 1 . 2]" 1
395 1 11 PRO HA 1 77 HIS H 3.400 . 4.900 4.489 4.307 4.668 . 0 0 "[ . 1 . 2]" 1
396 1 11 PRO HA 1 93 GLN H 2.200 . 2.800 2.742 2.702 2.782 . 0 0 "[ . 1 . 2]" 1
397 1 11 PRO HA 1 76 ASP H 2.800 . 3.800 3.496 3.454 3.528 . 0 0 "[ . 1 . 2]" 1
398 1 11 PRO HA 1 63 HIS HB2 2.300 . 2.900 2.479 2.400 2.952 0.052 17 0 "[ . 1 . 2]" 1
399 1 11 PRO HA 1 63 HIS HB3 2.300 . 3.000 2.979 2.640 3.002 0.002 12 0 "[ . 1 . 2]" 1
400 1 11 PRO HA 1 88 HIS HD2 4.100 . 6.200 4.520 4.094 4.732 . 0 0 "[ . 1 . 2]" 1
401 1 11 PRO HA 1 88 HIS HE1 3.100 . 4.300 3.427 2.677 4.269 . 0 0 "[ . 1 . 2]" 1
402 1 11 PRO HB2 1 12 GLN H 3.200 . 4.400 2.301 2.112 2.443 . 0 0 "[ . 1 . 2]" 1
403 1 11 PRO HB2 1 12 GLN H 2.500 . 3.300 2.015 1.928 2.093 . 0 0 "[ . 1 . 2]" 1
404 1 11 PRO HB3 1 11 PRO HG2 2.400 . 3.100 2.745 2.621 2.917 . 0 0 "[ . 1 . 2]" 1
405 1 11 PRO HB3 1 12 GLN H 3.300 . 4.600 3.732 3.552 3.877 . 0 0 "[ . 1 . 2]" 1
406 1 11 PRO HB3 1 12 GLN H 2.600 . 3.400 3.410 3.308 3.489 0.089 14 0 "[ . 1 . 2]" 1
407 1 11 PRO HB3 1 88 HIS HE1 3.200 . 4.400 2.415 1.955 3.453 0.045 18 0 "[ . 1 . 2]" 1
408 1 11 PRO QD 1 11 PRO HG2 2.500 . 3.300 2.186 2.159 2.222 . 0 0 "[ . 1 . 2]" 1
409 1 11 PRO QD 1 17 THR H 2.600 . 3.400 2.765 2.738 2.785 . 0 0 "[ . 1 . 2]" 1
410 1 11 PRO QD 1 17 THR HB 2.400 . 3.100 3.017 3.013 3.022 . 0 0 "[ . 1 . 2]" 1
411 1 11 PRO QD 1 29 VAL H 2.300 . 2.900 2.330 2.308 2.349 . 0 0 "[ . 1 . 2]" 1
412 1 11 PRO QD 1 70 PRO HG3 2.600 . 3.400 2.318 2.305 2.338 . 0 0 "[ . 1 . 2]" 1
413 1 11 PRO QD 1 57 LEU HB2 2.700 . 3.600 2.894 2.555 3.008 . 0 0 "[ . 1 . 2]" 1
414 1 11 PRO QD 1 57 LEU HB3 2.600 . 3.500 2.654 2.479 2.997 . 0 0 "[ . 1 . 2]" 1
415 1 11 PRO QD 1 57 LEU HG 2.700 . 3.600 3.121 2.548 3.298 . 0 0 "[ . 1 . 2]" 1
416 1 11 PRO HD2 1 11 PRO HG2 2.600 . 3.500 2.277 2.251 2.295 . 0 0 "[ . 1 . 2]" 1
417 1 11 PRO HD2 1 11 PRO HG3 2.600 . 3.400 2.838 2.679 2.939 . 0 0 "[ . 1 . 2]" 1
418 1 11 PRO HD2 1 12 GLN H 3.500 . 5.100 3.537 3.260 3.905 . 0 0 "[ . 1 . 2]" 1
419 1 11 PRO HD2 1 20 THR H 2.400 . 3.100 2.747 2.709 2.808 . 0 0 "[ . 1 . 2]" 1
420 1 11 PRO HD2 1 20 THR HB 2.100 . 2.700 2.744 2.693 2.843 0.143 18 0 "[ . 1 . 2]" 1
421 1 11 PRO HD2 1 52 LEU H 2.800 . 3.700 2.943 2.599 3.441 . 0 0 "[ . 1 . 2]" 1
422 1 11 PRO HD2 1 50 ASP HB3 3.400 . 4.800 4.124 3.903 4.309 . 0 0 "[ . 1 . 2]" 1
423 1 11 PRO HD2 1 41 ALA H 2.500 . 3.300 3.115 3.028 3.182 . 0 0 "[ . 1 . 2]" 1
424 1 11 PRO HD2 1 47 LEU H 3.100 . 4.300 3.406 3.370 3.428 . 0 0 "[ . 1 . 2]" 1
425 1 11 PRO HD2 1 51 SER H 3.200 . 4.500 2.504 2.224 2.656 . 0 0 "[ . 1 . 2]" 1
426 1 11 PRO HD2 1 51 SER HA 1.900 . 2.400 2.292 2.178 2.396 . 0 0 "[ . 1 . 2]" 1
427 1 11 PRO HD2 1 75 PHE HZ 3.400 . 4.900 3.079 2.428 3.815 . 0 0 "[ . 1 . 2]" 1
428 1 11 PRO HD2 1 85 GLN HB3 2.400 . 3.100 2.325 2.276 2.423 . 0 0 "[ . 1 . 2]" 1
429 1 11 PRO HD2 1 57 LEU H 2.600 . 3.500 2.763 2.743 2.775 . 0 0 "[ . 1 . 2]" 1
430 1 11 PRO HD3 1 11 PRO HG2 2.600 . 3.500 2.827 2.720 2.975 . 0 0 "[ . 1 . 2]" 1
431 1 11 PRO HD3 1 12 GLN H 3.500 . 5.100 4.482 4.381 4.592 . 0 0 "[ . 1 . 2]" 1
432 1 11 PRO HD3 1 15 GLN QB 2.100 . 2.600 2.003 1.979 2.014 . 0 0 "[ . 1 . 2]" 1
433 1 11 PRO HD3 1 35 PRO HA 3.100 . 4.300 3.847 3.799 3.882 . 0 0 "[ . 1 . 2]" 1
434 1 11 PRO HD3 1 90 ARG QG 2.400 . 3.100 2.875 2.809 2.954 . 0 0 "[ . 1 . 2]" 1
435 1 11 PRO HD3 1 91 LEU H 3.100 . 4.300 3.556 3.494 3.605 . 0 0 "[ . 1 . 2]" 1
436 1 11 PRO HD3 1 35 PRO HB2 2.600 . 3.400 3.527 3.505 3.574 0.174 15 0 "[ . 1 . 2]" 1
437 1 11 PRO HG2 1 12 GLN H 3.600 . 5.200 3.655 2.844 4.133 . 0 0 "[ . 1 . 2]" 1
438 1 11 PRO HG2 1 22 VAL H 2.400 . 3.100 2.441 2.404 2.506 . 0 0 "[ . 1 . 2]" 1
439 1 11 PRO HG2 1 22 VAL HA 2.500 . 3.300 3.003 2.996 3.009 . 0 0 "[ . 1 . 2]" 1
440 1 11 PRO HG2 1 80 PRO HD2 3.400 . 4.800 3.037 3.004 3.063 . 0 0 "[ . 1 . 2]" 1
441 1 11 PRO HG2 1 80 PRO HG3 2.800 . 3.800 2.979 2.975 2.984 . 0 0 "[ . 1 . 2]" 1
442 1 11 PRO HG2 1 56 GLU H 2.600 . 3.400 2.060 1.966 2.154 . 0 0 "[ . 1 . 2]" 1
443 1 11 PRO HG2 1 80 PRO HA 2.400 . 3.100 2.656 2.614 2.679 . 0 0 "[ . 1 . 2]" 1
444 1 11 PRO HG2 1 80 PRO HD3 3.100 . 4.300 3.905 3.894 3.914 . 0 0 "[ . 1 . 2]" 1
445 1 11 PRO HG3 1 12 GLN QG 1.900 . 2.300 2.008 1.952 2.026 . 0 0 "[ . 1 . 2]" 1
446 1 11 PRO HG3 1 15 GLN HE21 2.500 . 3.300 1.992 1.801 2.146 . 0 0 "[ . 1 . 2]" 1
447 1 11 PRO HG3 1 47 LEU HA 2.400 . 3.100 2.384 2.373 2.410 . 0 0 "[ . 1 . 2]" 1
448 1 11 PRO HG3 1 48 GLY H 3.100 . 4.300 3.089 2.988 3.146 . 0 0 "[ . 1 . 2]" 1
449 1 11 PRO HG3 1 88 HIS HD2 3.300 . 4.600 3.448 3.005 4.008 . 0 0 "[ . 1 . 2]" 1
450 1 11 PRO HG3 1 15 GLN HG2 1.600 . 1.900 1.708 1.703 1.712 . 0 0 "[ . 1 . 2]" 1
451 1 11 PRO HG3 1 15 GLN HE22 2.800 . 3.800 2.984 2.908 3.039 . 0 0 "[ . 1 . 2]" 1
452 1 11 PRO HG3 1 85 GLN HA 2.100 . 2.600 2.806 2.766 2.856 0.256 11 0 "[ . 1 . 2]" 1
453 1 11 PRO HG3 1 88 HIS HE1 3.000 . 4.200 3.226 3.049 3.408 . 0 0 "[ . 1 . 2]" 1
454 1 11 PRO HG3 1 35 PRO HD3 2.100 . 2.600 1.998 1.973 2.010 . 0 0 "[ . 1 . 2]" 1
455 1 11 PRO HG3 1 55 LEU HA 2.600 . 3.400 3.291 2.799 4.196 0.796 10 1 "[ . + . 2]" 1
456 1 11 PRO HG3 1 71 PRO HD3 2.200 . 2.800 2.223 2.214 2.235 . 0 0 "[ . 1 . 2]" 1
457 1 11 PRO HG3 1 58 ARG HA 2.600 . 3.500 2.366 2.291 2.422 . 0 0 "[ . 1 . 2]" 1
458 1 11 PRO HG3 1 82 ALA HA 2.400 . 3.100 2.255 2.106 2.854 . 0 0 "[ . 1 . 2]" 1
459 1 11 PRO HG3 1 85 GLN HB3 1.700 . 2.100 1.743 1.731 1.746 . 0 0 "[ . 1 . 2]" 1
460 1 11 PRO HG3 1 16 GLN HE21 3.300 . 4.600 3.400 1.894 3.758 0.106 8 0 "[ . 1 . 2]" 1
461 1 11 PRO HG3 1 17 THR H 2.500 . 3.300 2.568 2.497 2.643 . 0 0 "[ . 1 . 2]" 1
462 1 11 PRO HG3 1 17 THR HA 3.200 . 4.500 3.993 3.936 4.037 . 0 0 "[ . 1 . 2]" 1
463 1 11 PRO HG3 1 29 VAL H 2.200 . 2.800 1.761 1.660 1.905 . 0 0 "[ . 1 . 2]" 1
464 1 12 GLN H 1 12 GLN HA 2.800 . 3.800 2.816 2.796 2.848 . 0 0 "[ . 1 . 2]" 1
465 1 12 GLN H 1 12 GLN QB 2.400 . 3.100 2.233 2.205 2.286 . 0 0 "[ . 1 . 2]" 1
466 1 12 GLN H 1 12 GLN QG 2.800 . 3.800 3.950 3.931 3.992 0.192 8 0 "[ . 1 . 2]" 1
467 1 12 GLN H 1 13 GLN H 2.800 . 3.800 2.678 2.576 2.762 . 0 0 "[ . 1 . 2]" 1
468 1 12 GLN H 1 14 GLN H 3.600 . 5.200 4.110 3.934 4.281 . 0 0 "[ . 1 . 2]" 1
469 1 12 GLN H 1 88 HIS HA 2.600 . 3.400 2.838 2.827 2.849 . 0 0 "[ . 1 . 2]" 1
470 1 12 GLN H 1 88 HIS HB2 2.500 . 3.300 2.568 2.536 2.626 . 0 0 "[ . 1 . 2]" 1
471 1 12 GLN H 1 88 HIS HB3 2.500 . 3.300 2.579 2.521 2.652 . 0 0 "[ . 1 . 2]" 1
472 1 12 GLN H 1 88 HIS HD2 3.500 . 5.000 4.883 4.829 4.943 . 0 0 "[ . 1 . 2]" 1
473 1 12 GLN H 1 89 THR H 2.500 . 3.300 2.516 2.478 2.577 . 0 0 "[ . 1 . 2]" 1
474 1 12 GLN H 1 89 THR HA 3.500 . 5.000 5.125 5.102 5.151 0.151 14 0 "[ . 1 . 2]" 1
475 1 12 GLN HA 1 12 GLN QB 2.100 . 2.600 2.371 2.315 2.423 . 0 0 "[ . 1 . 2]" 1
476 1 12 GLN HA 1 12 GLN QB 2.100 . 2.700 2.035 1.970 2.126 . 0 0 "[ . 1 . 2]" 1
477 1 12 GLN HA 1 12 GLN QG 2.200 . 2.800 2.466 2.324 2.890 0.090 9 0 "[ . 1 . 2]" 1
478 1 12 GLN HA 1 14 GLN H 3.600 . 5.200 4.359 4.153 4.529 . 0 0 "[ . 1 . 2]" 1
479 1 12 GLN HA 1 15 GLN H 2.700 . 3.600 3.150 2.955 3.301 . 0 0 "[ . 1 . 2]" 1
480 1 12 GLN HA 1 15 GLN QG 2.800 . 3.700 2.417 2.257 2.543 . 0 0 "[ . 1 . 2]" 1
481 1 12 GLN HA 1 16 GLN HG3 2.300 . 2.900 2.818 2.727 2.885 . 0 0 "[ . 1 . 2]" 1
482 1 12 GLN HA 1 71 PRO HB3 2.200 . 2.800 2.307 2.292 2.321 . 0 0 "[ . 1 . 2]" 1
483 1 12 GLN HA 1 58 ARG HG3 2.800 . 3.800 2.497 2.001 2.886 . 0 0 "[ . 1 . 2]" 1
484 1 12 GLN HA 1 80 PRO HB2 2.500 . 3.300 2.964 2.957 2.972 . 0 0 "[ . 1 . 2]" 1
485 1 12 GLN HA 1 80 PRO HG3 2.900 . 3.900 3.042 3.008 3.069 . 0 0 "[ . 1 . 2]" 1
486 1 12 GLN QB 1 12 GLN HE22 2.800 . 3.800 3.102 2.583 3.463 . 0 0 "[ . 1 . 2]" 1
487 1 12 GLN QB 1 12 GLN QG 2.000 . 2.500 2.072 1.995 2.084 . 0 0 "[ . 1 . 2]" 1
488 1 12 GLN QB 1 13 GLN H 2.400 . 3.100 2.254 2.173 2.337 . 0 0 "[ . 1 . 2]" 1
489 1 12 GLN QB 1 14 GLN H 2.800 . 3.800 2.452 2.228 2.608 . 0 0 "[ . 1 . 2]" 1
490 1 12 GLN QB 1 14 GLN HA 3.000 . 4.200 3.962 3.865 4.115 . 0 0 "[ . 1 . 2]" 1
491 1 12 GLN QB 1 15 GLN H 2.300 . 3.000 1.942 1.866 2.020 . 0 0 "[ . 1 . 2]" 1
492 1 12 GLN QB 1 15 GLN HA 2.100 . 2.700 2.149 2.133 2.167 . 0 0 "[ . 1 . 2]" 1
493 1 12 GLN QB 1 53 THR HA 2.000 . 2.500 2.015 1.881 2.184 . 0 0 "[ . 1 . 2]" 1
494 1 12 GLN QB 1 53 THR HB 2.700 . 3.600 3.611 3.518 3.639 0.039 18 0 "[ . 1 . 2]" 1
495 1 12 GLN QB 1 55 LEU QB 2.800 . 3.800 2.913 2.384 3.963 0.163 10 0 "[ . 1 . 2]" 1
496 1 12 GLN QB 1 56 GLU H 2.200 . 2.800 2.520 2.487 2.578 . 0 0 "[ . 1 . 2]" 1
497 1 12 GLN QB 1 57 LEU H 2.500 . 3.300 2.576 2.477 2.691 . 0 0 "[ . 1 . 2]" 1
498 1 12 GLN QB 1 58 ARG QD 2.900 . 3.900 2.560 2.060 3.167 . 0 0 "[ . 1 . 2]" 1
499 1 12 GLN QB 1 86 HIS HD2 3.500 . 5.000 4.797 3.237 5.221 0.221 10 0 "[ . 1 . 2]" 1
500 1 12 GLN QB 1 16 GLN H 2.200 . 2.800 1.993 1.913 2.067 . 0 0 "[ . 1 . 2]" 1
501 1 12 GLN QG 1 13 GLN H 2.200 . 2.800 2.237 2.062 2.440 . 0 0 "[ . 1 . 2]" 1
502 1 13 GLN H 1 13 GLN HA 2.600 . 3.400 2.813 2.782 2.841 . 0 0 "[ . 1 . 2]" 1
503 1 13 GLN H 1 13 GLN HB2 2.700 . 3.600 2.486 2.336 2.613 . 0 0 "[ . 1 . 2]" 1
504 1 13 GLN H 1 13 GLN HB3 2.800 . 3.800 3.599 3.564 3.614 . 0 0 "[ . 1 . 2]" 1
505 1 13 GLN H 1 13 GLN QG 2.500 . 3.300 2.257 2.075 2.465 . 0 0 "[ . 1 . 2]" 1
506 1 13 GLN H 1 14 GLN H 2.500 . 3.300 2.373 2.328 2.465 . 0 0 "[ . 1 . 2]" 1
507 1 13 GLN H 1 14 GLN HA 2.800 . 3.800 3.353 3.314 3.423 . 0 0 "[ . 1 . 2]" 1
508 1 13 GLN H 1 88 HIS HD2 3.500 . 5.000 4.037 3.674 4.462 . 0 0 "[ . 1 . 2]" 1
509 1 13 GLN H 1 17 THR H 2.600 . 3.500 2.907 2.827 3.054 . 0 0 "[ . 1 . 2]" 1
510 1 13 GLN H 1 17 THR HA 2.800 . 3.800 3.567 3.541 3.645 . 0 0 "[ . 1 . 2]" 1
511 1 13 GLN H 1 17 THR HB 2.200 . 2.800 2.163 2.093 2.264 . 0 0 "[ . 1 . 2]" 1
512 1 13 GLN H 1 18 LEU HA 2.600 . 3.500 2.873 2.818 2.886 . 0 0 "[ . 1 . 2]" 1
513 1 13 GLN H 1 18 LEU QB 2.600 . 3.500 2.538 2.339 2.697 . 0 0 "[ . 1 . 2]" 1
514 1 13 GLN H 1 19 ALA H 2.600 . 3.500 2.232 2.189 2.383 . 0 0 "[ . 1 . 2]" 1
515 1 13 GLN H 1 86 HIS HA 2.400 . 3.100 2.770 2.745 2.806 . 0 0 "[ . 1 . 2]" 1
516 1 13 GLN H 1 86 HIS HB2 2.600 . 3.400 2.546 2.507 2.628 . 0 0 "[ . 1 . 2]" 1
517 1 13 GLN H 1 86 HIS HB3 2.500 . 3.300 2.515 2.417 2.555 . 0 0 "[ . 1 . 2]" 1
518 1 13 GLN H 1 87 LEU H 2.600 . 3.500 2.745 2.607 2.828 . 0 0 "[ . 1 . 2]" 1
519 1 13 GLN H 1 87 LEU HA 2.900 . 3.900 3.148 2.939 3.353 . 0 0 "[ . 1 . 2]" 1
520 1 13 GLN H 1 88 HIS H 3.000 . 4.100 3.427 3.328 3.510 . 0 0 "[ . 1 . 2]" 1
521 1 13 GLN H 1 88 HIS HB2 3.700 . 5.400 4.429 4.248 4.532 . 0 0 "[ . 1 . 2]" 1
522 1 13 GLN H 1 88 HIS HB3 3.500 . 5.000 4.245 4.128 4.344 . 0 0 "[ . 1 . 2]" 1
523 1 13 GLN H 1 89 THR H 2.600 . 3.400 2.655 2.556 2.753 . 0 0 "[ . 1 . 2]" 1
524 1 13 GLN H 1 89 THR HA 2.900 . 3.900 3.520 3.475 3.552 . 0 0 "[ . 1 . 2]" 1
525 1 13 GLN H 1 90 ARG HA 2.400 . 3.100 2.786 2.717 2.855 . 0 0 "[ . 1 . 2]" 1
526 1 13 GLN H 1 90 ARG QB 2.700 . 3.600 2.419 2.351 2.491 . 0 0 "[ . 1 . 2]" 1
527 1 13 GLN H 1 90 ARG QG 2.400 . 3.100 2.170 2.087 2.276 . 0 0 "[ . 1 . 2]" 1
528 1 13 GLN H 1 90 ARG QB 2.700 . 3.600 2.419 2.351 2.491 . 0 0 "[ . 1 . 2]" 1
529 1 13 GLN HA 1 13 GLN HB2 2.000 . 2.500 2.253 2.243 2.258 . 0 0 "[ . 1 . 2]" 1
530 1 13 GLN HA 1 13 GLN HB3 2.800 . 3.800 2.503 2.428 2.590 . 0 0 "[ . 1 . 2]" 1
531 1 13 GLN HA 1 13 GLN HB3 2.100 . 2.600 2.364 2.327 2.405 . 0 0 "[ . 1 . 2]" 1
532 1 13 GLN HA 1 14 GLN H 3.100 . 4.300 3.520 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
533 1 13 GLN HA 1 18 LEU H 2.700 . 3.600 2.837 2.794 2.850 . 0 0 "[ . 1 . 2]" 1
534 1 13 GLN HA 1 59 ASN H 2.300 . 3.000 2.845 2.755 2.943 . 0 0 "[ . 1 . 2]" 1
535 1 13 GLN HA 1 55 LEU H 2.400 . 3.100 2.853 2.832 2.864 . 0 0 "[ . 1 . 2]" 1
536 1 13 GLN HA 1 55 LEU QB 2.100 . 2.700 2.185 2.154 2.255 . 0 0 "[ . 1 . 2]" 1
537 1 13 GLN HA 1 82 ALA H 2.500 . 3.300 2.793 2.782 2.806 . 0 0 "[ . 1 . 2]" 1
538 1 13 GLN HA 1 19 ALA H 2.500 . 3.300 2.813 2.769 2.823 . 0 0 "[ . 1 . 2]" 1
539 1 13 GLN HA 1 49 ILE HB 2.900 . 4.000 3.589 3.391 3.739 . 0 0 "[ . 1 . 2]" 1
540 1 13 GLN HA 1 49 ILE HG12 3.000 . 4.200 3.668 3.583 3.717 . 0 0 "[ . 1 . 2]" 1
541 1 13 GLN HA 1 49 ILE HG13 3.000 . 4.200 3.340 3.034 3.608 . 0 0 "[ . 1 . 2]" 1
542 1 13 GLN HA 1 50 ASP H 2.900 . 3.900 3.449 3.228 3.538 . 0 0 "[ . 1 . 2]" 1
543 1 13 GLN HA 1 52 LEU H 2.800 . 3.800 3.484 3.437 3.525 . 0 0 "[ . 1 . 2]" 1
544 1 13 GLN HA 1 61 LEU HB2 2.600 . 3.500 2.913 2.287 2.958 . 0 0 "[ . 1 . 2]" 1
545 1 13 GLN HA 1 75 PHE HZ 3.000 . 4.100 2.384 2.067 2.870 . 0 0 "[ . 1 . 2]" 1
546 1 13 GLN HA 1 51 SER H 3.400 . 4.900 2.807 2.762 2.840 . 0 0 "[ . 1 . 2]" 1
547 1 13 GLN HA 1 61 LEU HB3 2.500 . 3.300 2.560 2.415 2.930 . 0 0 "[ . 1 . 2]" 1
548 1 13 GLN HA 1 63 HIS H 2.600 . 3.500 3.317 3.287 3.383 . 0 0 "[ . 1 . 2]" 1
549 1 13 GLN HA 1 54 ALA H 2.800 . 3.800 3.107 3.015 3.172 . 0 0 "[ . 1 . 2]" 1
550 1 13 GLN HB2 1 13 GLN QG 2.200 . 2.800 2.151 2.131 2.160 . 0 0 "[ . 1 . 2]" 1
551 1 13 GLN HB3 1 14 GLN H 2.600 . 3.500 3.286 3.105 3.343 . 0 0 "[ . 1 . 2]" 1
552 1 13 GLN HE21 1 13 GLN QG 2.800 . 3.800 2.276 2.146 2.795 . 0 0 "[ . 1 . 2]" 1
553 1 13 GLN HE22 1 13 GLN QG 2.700 . 3.600 3.288 3.208 3.489 . 0 0 "[ . 1 . 2]" 1
554 1 14 GLN H 1 14 GLN HA 2.700 . 3.600 2.801 2.757 2.844 . 0 0 "[ . 1 . 2]" 1
555 1 14 GLN H 1 14 GLN HB2 2.900 . 4.000 2.453 2.108 2.638 . 0 0 "[ . 1 . 2]" 1
556 1 14 GLN H 1 14 GLN HB3 2.900 . 4.000 3.576 3.438 3.620 . 0 0 "[ . 1 . 2]" 1
557 1 14 GLN H 1 14 GLN HB3 2.700 . 3.600 3.576 3.438 3.619 0.019 7 0 "[ . 1 . 2]" 1
558 1 14 GLN H 1 14 GLN HG2 2.900 . 4.000 3.381 2.838 3.606 . 0 0 "[ . 1 . 2]" 1
559 1 14 GLN H 1 14 GLN HG2 2.800 . 3.700 3.381 2.838 3.606 . 0 0 "[ . 1 . 2]" 1
560 1 14 GLN H 1 14 GLN HG2 3.000 . 4.100 3.381 2.838 3.606 . 0 0 "[ . 1 . 2]" 1
561 1 14 GLN H 1 14 GLN HG3 2.800 . 3.800 2.346 1.983 3.706 . 0 0 "[ . 1 . 2]" 1
562 1 14 GLN H 1 14 GLN HG3 2.700 . 3.600 2.346 1.983 3.705 0.105 20 0 "[ . 1 . 2]" 1
563 1 14 GLN H 1 15 GLN H 2.800 . 3.800 2.693 2.572 2.822 . 0 0 "[ . 1 . 2]" 1
564 1 14 GLN HA 1 14 GLN HB3 2.700 . 3.600 2.508 2.419 2.698 . 0 0 "[ . 1 . 2]" 1
565 1 14 GLN HA 1 14 GLN HG2 2.600 . 3.500 2.516 2.402 2.649 . 0 0 "[ . 1 . 2]" 1
566 1 14 GLN HA 1 14 GLN HG3 2.700 . 3.600 3.115 2.964 3.588 . 0 0 "[ . 1 . 2]" 1
567 1 14 GLN HA 1 17 THR H 3.200 . 4.500 3.585 3.199 3.901 . 0 0 "[ . 1 . 2]" 1
568 1 14 GLN HA 1 17 THR HB 2.600 . 3.500 2.661 2.327 2.998 . 0 0 "[ . 1 . 2]" 1
569 1 14 GLN HA 1 17 THR HB 2.800 . 3.800 2.660 2.326 2.996 . 0 0 "[ . 1 . 2]" 1
570 1 14 GLN HB2 1 14 GLN HG2 2.800 . 3.800 2.979 2.539 3.009 . 0 0 "[ . 1 . 2]" 1
571 1 14 GLN HB2 1 14 GLN HG3 3.000 . 4.100 2.414 2.312 2.478 . 0 0 "[ . 1 . 2]" 1
572 1 14 GLN HB2 1 15 GLN H 2.900 . 4.000 2.583 2.396 2.691 . 0 0 "[ . 1 . 2]" 1
573 1 14 GLN HB2 1 88 HIS HD2 3.100 . 3.900 3.017 2.510 3.513 . 0 0 "[ . 1 . 2]" 1
574 1 14 GLN HB3 1 14 GLN HG2 2.900 . 4.000 2.483 2.405 2.990 . 0 0 "[ . 1 . 2]" 1
575 1 14 GLN HB3 1 14 GLN HG2 2.900 . 3.900 2.483 2.405 2.990 . 0 0 "[ . 1 . 2]" 1
576 1 14 GLN HB3 1 14 GLN HG3 2.900 . 4.000 2.981 2.538 3.013 . 0 0 "[ . 1 . 2]" 1
577 1 14 GLN HB3 1 14 GLN HG3 2.900 . 3.900 2.980 2.538 3.013 . 0 0 "[ . 1 . 2]" 1
578 1 14 GLN HB3 1 15 GLN H 2.800 . 3.800 3.549 3.049 3.763 . 0 0 "[ . 1 . 2]" 1
579 1 14 GLN HB3 1 15 GLN H 2.800 . 3.800 3.549 3.049 3.763 . 0 0 "[ . 1 . 2]" 1
580 1 14 GLN HB3 1 88 HIS HD2 3.200 . 4.500 2.631 2.160 3.242 . 0 0 "[ . 1 . 2]" 1
581 1 14 GLN HE21 1 14 GLN HG2 3.000 . 4.100 2.319 2.157 3.036 . 0 0 "[ . 1 . 2]" 1
582 1 14 GLN HE21 1 14 GLN HG3 3.100 . 4.300 3.170 2.175 3.541 . 0 0 "[ . 1 . 2]" 1
583 1 14 GLN HE22 1 14 GLN HG2 3.100 . 4.300 3.512 3.434 3.822 . 0 0 "[ . 1 . 2]" 1
584 1 14 GLN HE22 1 14 GLN HG3 3.200 . 4.500 3.905 3.463 4.083 . 0 0 "[ . 1 . 2]" 1
585 1 14 GLN HG2 1 15 GLN H 3.500 . 5.100 4.942 4.707 5.060 . 0 0 "[ . 1 . 2]" 1
586 1 14 GLN HG2 1 76 ASP H 2.500 . 3.300 2.464 2.215 2.623 . 0 0 "[ . 1 . 2]" 1
587 1 14 GLN HG2 1 77 HIS HD2 2.800 . 3.700 2.708 2.388 2.806 . 0 0 "[ . 1 . 2]" 1
588 1 14 GLN HG2 1 78 PRO HA 2.200 . 2.800 2.727 2.696 2.766 . 0 0 "[ . 1 . 2]" 1
589 1 14 GLN HG2 1 78 PRO HG2 2.400 . 3.100 2.242 2.239 2.250 . 0 0 "[ . 1 . 2]" 1
590 1 14 GLN HG2 1 78 PRO HG3 2.400 . 3.100 2.840 2.799 2.889 . 0 0 "[ . 1 . 2]" 1
591 1 14 GLN HG2 1 71 PRO HA 2.100 . 2.600 2.306 2.292 2.321 . 0 0 "[ . 1 . 2]" 1
592 1 14 GLN HG2 1 71 PRO QG 2.000 . 2.500 2.246 2.239 2.252 . 0 0 "[ . 1 . 2]" 1
593 1 14 GLN HG2 1 77 HIS H 2.400 . 3.100 2.707 2.459 2.776 . 0 0 "[ . 1 . 2]" 1
594 1 14 GLN HG2 1 78 PRO HD2 2.700 . 3.600 3.427 3.261 3.547 . 0 0 "[ . 1 . 2]" 1
595 1 14 GLN HG2 1 78 PRO HD3 2.700 . 3.600 3.771 3.732 3.796 0.196 7 0 "[ . 1 . 2]" 1
596 1 14 GLN HG3 1 15 GLN H 3.400 . 4.800 4.335 3.982 4.907 0.107 20 0 "[ . 1 . 2]" 1
597 1 14 GLN HG3 1 45 LYS HA 3.100 . 4.300 4.117 4.055 4.218 . 0 0 "[ . 1 . 2]" 1
598 1 14 GLN HG3 1 46 ASP HA 2.100 . 2.600 2.374 2.343 2.419 . 0 0 "[ . 1 . 2]" 1
599 1 14 GLN HG3 1 47 LEU H 2.700 . 3.600 2.878 2.740 3.203 . 0 0 "[ . 1 . 2]" 1
600 1 14 GLN HG3 1 48 GLY H 3.400 . 4.800 4.361 4.289 4.428 . 0 0 "[ . 1 . 2]" 1
601 1 14 GLN HG3 1 49 ILE HB 2.500 . 3.300 2.090 1.994 2.194 . 0 0 "[ . 1 . 2]" 1
602 1 14 GLN HG3 1 86 HIS H 2.500 . 3.300 2.557 2.516 2.640 . 0 0 "[ . 1 . 2]" 1
603 1 14 GLN HG3 1 87 LEU H 2.800 . 3.800 3.790 3.762 3.842 0.042 4 0 "[ . 1 . 2]" 1
604 1 14 GLN HG3 1 86 HIS HA 2.500 . 3.300 2.452 2.413 2.476 . 0 0 "[ . 1 . 2]" 1
605 1 14 GLN HG3 1 86 HIS HD2 3.300 . 4.600 3.724 3.652 3.779 . 0 0 "[ . 1 . 2]" 1
606 1 15 GLN H 1 15 GLN HA 2.700 . 3.600 2.798 2.785 2.813 . 0 0 "[ . 1 . 2]" 1
607 1 15 GLN H 1 15 GLN HA 2.400 . 3.100 2.799 2.786 2.814 . 0 0 "[ . 1 . 2]" 1
608 1 15 GLN H 1 15 GLN QB 2.400 . 3.100 2.577 2.536 2.622 . 0 0 "[ . 1 . 2]" 1
609 1 15 GLN H 1 15 GLN QG 2.500 . 3.100 2.013 1.912 2.124 . 0 0 "[ . 1 . 2]" 1
610 1 15 GLN H 1 62 THR HA 2.700 . 3.600 3.110 3.057 3.202 . 0 0 "[ . 1 . 2]" 1
611 1 15 GLN H 1 75 PHE HA 3.000 . 4.100 3.496 3.454 3.528 . 0 0 "[ . 1 . 2]" 1
612 1 15 GLN H 1 76 ASP HA 2.400 . 3.100 2.897 2.871 2.921 . 0 0 "[ . 1 . 2]" 1
613 1 15 GLN H 1 76 ASP HB2 2.600 . 3.500 2.472 2.218 2.635 . 0 0 "[ . 1 . 2]" 1
614 1 15 GLN H 1 76 ASP HB3 2.600 . 3.500 2.776 2.584 3.517 0.017 12 0 "[ . 1 . 2]" 1
615 1 15 GLN H 1 77 HIS H 2.400 . 3.100 2.308 2.181 2.399 . 0 0 "[ . 1 . 2]" 1
616 1 15 GLN HA 1 15 GLN QB 2.300 . 3.000 2.334 2.324 2.345 . 0 0 "[ . 1 . 2]" 1
617 1 15 GLN HA 1 15 GLN QG 2.400 . 3.100 2.505 2.440 2.567 . 0 0 "[ . 1 . 2]" 1
618 1 15 GLN HA 1 16 GLN H 3.000 . 4.200 3.551 3.524 3.567 . 0 0 "[ . 1 . 2]" 1
619 1 15 GLN HA 1 16 GLN H 2.900 . 4.000 3.555 3.527 3.569 . 0 0 "[ . 1 . 2]" 1
620 1 15 GLN HA 1 17 THR H 3.600 . 5.200 4.314 4.083 4.393 . 0 0 "[ . 1 . 2]" 1
621 1 15 GLN HA 1 17 THR HB 3.000 . 4.200 4.416 4.285 4.478 0.278 5 0 "[ . 1 . 2]" 1
622 1 15 GLN HA 1 18 LEU H 3.200 . 4.400 3.381 3.304 3.527 . 0 0 "[ . 1 . 2]" 1
623 1 15 GLN HA 1 18 LEU QB 3.000 . 4.100 3.767 2.968 4.092 . 0 0 "[ . 1 . 2]" 1
624 1 15 GLN HA 1 18 LEU HG 3.100 . 4.300 2.555 1.960 3.809 . 0 0 "[ . 1 . 2]" 1
625 1 15 GLN HA 1 19 ALA H 3.200 . 4.500 3.939 3.818 4.162 . 0 0 "[ . 1 . 2]" 1
626 1 15 GLN HA 1 19 ALA H 3.200 . 4.500 3.858 3.769 4.043 . 0 0 "[ . 1 . 2]" 1
627 1 15 GLN HA 1 22 VAL H 2.700 . 3.600 2.749 2.728 2.770 . 0 0 "[ . 1 . 2]" 1
628 1 15 GLN HA 1 22 VAL HB 2.500 . 3.300 3.009 3.002 3.016 . 0 0 "[ . 1 . 2]" 1
629 1 15 GLN HA 1 84 THR H 2.800 . 3.800 2.611 2.531 2.689 . 0 0 "[ . 1 . 2]" 1
630 1 15 GLN HA 1 87 LEU H 2.600 . 3.500 2.800 2.777 2.830 . 0 0 "[ . 1 . 2]" 1
631 1 15 GLN HA 1 87 LEU HB2 2.700 . 3.600 2.983 2.973 2.992 . 0 0 "[ . 1 . 2]" 1
632 1 15 GLN HA 1 87 LEU HB3 2.600 . 3.400 2.552 2.392 2.600 . 0 0 "[ . 1 . 2]" 1
633 1 15 GLN HA 1 87 LEU HG 2.700 . 3.600 3.480 2.988 3.598 . 0 0 "[ . 1 . 2]" 1
634 1 15 GLN HA 1 88 HIS H 2.900 . 3.900 3.436 3.407 3.451 . 0 0 "[ . 1 . 2]" 1
635 1 15 GLN HA 1 88 HIS HD2 3.300 . 4.600 3.810 3.275 4.359 . 0 0 "[ . 1 . 2]" 1
636 1 15 GLN HA 1 90 ARG QB 2.900 . 3.900 2.474 2.196 2.609 . 0 0 "[ . 1 . 2]" 1
637 1 15 GLN HA 1 90 ARG QG 2.900 . 3.900 2.616 2.393 2.908 . 0 0 "[ . 1 . 2]" 1
638 1 15 GLN HA 1 91 LEU H 3.500 . 5.000 4.029 3.600 4.444 . 0 0 "[ . 1 . 2]" 1
639 1 15 GLN HA 1 88 HIS HD2 3.200 . 4.500 3.832 3.282 4.407 . 0 0 "[ . 1 . 2]" 1
640 1 15 GLN QB 1 15 GLN HE21 3.200 . 4.400 2.344 1.824 2.804 0.176 15 0 "[ . 1 . 2]" 1
641 1 15 GLN QB 1 15 GLN HE21 2.600 . 3.500 1.993 1.801 2.147 . 0 0 "[ . 1 . 2]" 1
642 1 15 GLN QB 1 16 GLN H 2.600 . 3.500 2.137 2.012 2.239 . 0 0 "[ . 1 . 2]" 1
643 1 15 GLN HE21 1 15 GLN QG 2.600 . 3.500 2.482 2.203 2.813 . 0 0 "[ . 1 . 2]" 1
644 1 15 GLN HE21 1 85 GLN HB3 3.300 . 4.700 2.864 1.788 4.004 0.112 1 0 "[ . 1 . 2]" 1
645 1 15 GLN HE22 1 15 GLN QG 3.300 . 4.700 3.380 3.288 3.488 . 0 0 "[ . 1 . 2]" 1
646 1 15 GLN HE22 1 70 PRO HB2 2.500 . 3.300 2.034 1.993 2.080 . 0 0 "[ . 1 . 2]" 1
647 1 15 GLN HE22 1 70 PRO HG3 3.000 . 4.200 4.092 4.001 4.199 . 0 0 "[ . 1 . 2]" 1
648 1 15 GLN HE22 1 71 PRO HA 3.000 . 4.100 3.308 3.180 3.398 . 0 0 "[ . 1 . 2]" 1
649 1 15 GLN HE22 1 71 PRO HB2 3.000 . 4.100 3.942 3.686 4.152 0.052 10 0 "[ . 1 . 2]" 1
650 1 15 GLN HE22 1 71 PRO HB3 3.200 . 4.500 4.453 4.356 4.507 0.007 1 0 "[ . 1 . 2]" 1
651 1 15 GLN HE22 1 71 PRO HD2 3.000 . 4.100 2.817 2.673 2.982 . 0 0 "[ . 1 . 2]" 1
652 1 15 GLN HE22 1 71 PRO HD3 3.100 . 4.300 3.910 3.825 4.003 . 0 0 "[ . 1 . 2]" 1
653 1 15 GLN HE22 1 71 PRO QG 2.700 . 3.600 3.191 2.910 3.450 . 0 0 "[ . 1 . 2]" 1
654 1 15 GLN HE22 1 72 THR HA 2.600 . 3.400 2.916 2.900 2.926 . 0 0 "[ . 1 . 2]" 1
655 1 15 GLN HE22 1 72 THR HB 3.100 . 4.300 3.588 3.514 3.609 . 0 0 "[ . 1 . 2]" 1
656 1 15 GLN HE22 1 73 LEU H 2.600 . 3.400 2.344 2.250 2.483 . 0 0 "[ . 1 . 2]" 1
657 1 15 GLN HE22 1 73 LEU HA 2.600 . 3.500 2.918 2.485 3.593 0.093 19 0 "[ . 1 . 2]" 1
658 1 15 GLN HE22 1 73 LEU HG 3.300 . 4.600 4.045 3.783 4.490 . 0 0 "[ . 1 . 2]" 1
659 1 15 GLN HE22 1 76 ASP H 3.400 . 4.900 4.084 3.714 4.363 . 0 0 "[ . 1 . 2]" 1
660 1 15 GLN HE22 1 76 ASP HB2 2.800 . 3.800 3.680 2.590 3.906 0.106 8 0 "[ . 1 . 2]" 1
661 1 15 GLN HE22 1 76 ASP HB3 2.800 . 3.800 2.334 2.188 3.130 . 0 0 "[ . 1 . 2]" 1
662 1 15 GLN HE22 1 77 HIS H 3.000 . 4.100 3.137 2.760 3.376 . 0 0 "[ . 1 . 2]" 1
663 1 15 GLN HE22 1 77 HIS HB2 3.200 . 4.500 2.817 2.776 2.879 . 0 0 "[ . 1 . 2]" 1
664 1 15 GLN HE22 1 77 HIS HB3 3.100 . 4.300 3.903 3.877 3.936 . 0 0 "[ . 1 . 2]" 1
665 1 15 GLN QG 1 16 GLN H 2.900 . 3.900 3.791 3.751 3.822 . 0 0 "[ . 1 . 2]" 1
666 1 15 GLN QG 1 88 HIS HD2 3.500 . 5.000 3.539 3.045 4.183 . 0 0 "[ . 1 . 2]" 1
667 1 15 GLN QG 1 88 HIS HE1 3.500 . 4.800 3.444 3.260 3.694 . 0 0 "[ . 1 . 2]" 1
668 1 16 GLN H 1 16 GLN HA 2.400 . 3.100 2.757 2.737 2.775 . 0 0 "[ . 1 . 2]" 1
669 1 16 GLN H 1 16 GLN HG2 2.500 . 3.300 3.420 3.378 3.507 0.207 12 0 "[ . 1 . 2]" 1
670 1 16 GLN H 1 16 GLN QG 2.500 . 3.300 2.061 1.982 2.137 . 0 0 "[ . 1 . 2]" 1
671 1 16 GLN H 1 16 GLN HG3 2.600 . 3.400 2.078 1.995 2.160 . 0 0 "[ . 1 . 2]" 1
672 1 16 GLN H 1 17 THR H 2.600 . 3.400 2.793 2.731 2.853 . 0 0 "[ . 1 . 2]" 1
673 1 16 GLN H 1 17 THR H 2.600 . 3.500 2.792 2.731 2.853 . 0 0 "[ . 1 . 2]" 1
674 1 16 GLN H 1 38 ILE H 2.600 . 3.400 2.545 2.255 2.704 . 0 0 "[ . 1 . 2]" 1
675 1 16 GLN H 1 73 LEU H 3.000 . 4.100 3.119 2.991 3.255 . 0 0 "[ . 1 . 2]" 1
676 1 16 GLN H 1 73 LEU HA 2.800 . 3.800 3.499 3.470 3.542 . 0 0 "[ . 1 . 2]" 1
677 1 16 GLN H 1 73 LEU HB2 2.900 . 3.900 2.189 2.004 3.373 . 0 0 "[ . 1 . 2]" 1
678 1 16 GLN H 1 73 LEU HB3 2.900 . 4.000 2.706 1.989 3.006 . 0 0 "[ . 1 . 2]" 1
679 1 16 GLN H 1 73 LEU HG 3.400 . 4.800 4.199 3.713 4.371 . 0 0 "[ . 1 . 2]" 1
680 1 16 GLN H 1 74 ILE HA 2.500 . 3.300 2.771 2.757 2.789 . 0 0 "[ . 1 . 2]" 1
681 1 16 GLN H 1 74 ILE HB 2.500 . 3.300 2.785 2.679 2.830 . 0 0 "[ . 1 . 2]" 1
682 1 16 GLN H 1 74 ILE HG12 2.600 . 3.400 1.781 1.732 1.916 0.068 8 0 "[ . 1 . 2]" 1
683 1 16 GLN H 1 74 ILE HG13 2.700 . 3.600 3.367 3.319 3.484 . 0 0 "[ . 1 . 2]" 1
684 1 16 GLN H 1 90 ARG QB 3.000 . 4.100 2.457 2.278 2.762 . 0 0 "[ . 1 . 2]" 1
685 1 16 GLN H 1 90 ARG QG 3.100 . 4.300 4.028 3.856 4.157 . 0 0 "[ . 1 . 2]" 1
686 1 16 GLN H 1 91 LEU HB2 2.600 . 3.400 2.355 2.188 2.425 . 0 0 "[ . 1 . 2]" 1
687 1 16 GLN H 1 87 LEU HA 3.300 . 4.700 4.038 3.606 4.465 . 0 0 "[ . 1 . 2]" 1
688 1 16 GLN H 1 89 THR HA 3.400 . 4.800 4.590 4.177 4.839 0.039 14 0 "[ . 1 . 2]" 1
689 1 16 GLN H 1 90 ARG HA 2.800 . 3.800 3.557 3.496 3.607 . 0 0 "[ . 1 . 2]" 1
690 1 16 GLN H 1 90 ARG QB 3.000 . 4.100 2.457 2.278 2.762 . 0 0 "[ . 1 . 2]" 1
691 1 16 GLN H 1 91 LEU HA 2.400 . 3.100 2.812 2.759 2.865 . 0 0 "[ . 1 . 2]" 1
692 1 16 GLN H 1 91 LEU HB3 2.600 . 3.400 3.517 3.456 3.546 0.146 10 0 "[ . 1 . 2]" 1
693 1 16 GLN H 1 91 LEU HG 2.600 . 3.400 2.426 2.125 3.843 0.443 2 0 "[ . 1 . 2]" 1
694 1 16 GLN HA 1 16 GLN QB 2.200 . 2.800 2.374 2.363 2.387 . 0 0 "[ . 1 . 2]" 1
695 1 16 GLN HA 1 17 THR H 2.900 . 3.900 3.498 3.463 3.516 . 0 0 "[ . 1 . 2]" 1
696 1 16 GLN HA 1 18 LEU QB 2.600 . 3.500 2.217 2.156 2.350 . 0 0 "[ . 1 . 2]" 1
697 1 16 GLN HA 1 21 LEU HB2 2.400 . 3.100 2.202 1.955 3.191 0.091 7 0 "[ . 1 . 2]" 1
698 1 16 GLN HA 1 21 LEU HB3 2.500 . 3.300 2.282 1.733 2.659 . 0 0 "[ . 1 . 2]" 1
699 1 16 GLN HA 1 84 THR H 2.800 . 3.800 3.819 3.781 3.852 0.052 18 0 "[ . 1 . 2]" 1
700 1 16 GLN HA 1 19 ALA H 2.700 . 3.600 3.240 3.046 3.385 . 0 0 "[ . 1 . 2]" 1
701 1 16 GLN QB 1 16 GLN HG3 2.100 . 2.600 2.370 2.332 2.398 . 0 0 "[ . 1 . 2]" 1
702 1 16 GLN HB2 1 17 THR H 2.600 . 3.500 2.635 2.553 2.723 . 0 0 "[ . 1 . 2]" 1
703 1 16 GLN HB3 1 17 THR H 2.600 . 3.500 3.606 3.578 3.650 0.150 7 0 "[ . 1 . 2]" 1
704 1 16 GLN HB3 1 23 ALA HA 2.900 . 4.000 3.522 3.326 3.678 . 0 0 "[ . 1 . 2]" 1
705 1 16 GLN HB3 1 38 ILE H 2.400 . 3.100 2.596 2.518 2.667 . 0 0 "[ . 1 . 2]" 1
706 1 16 GLN HB3 1 70 PRO HB3 2.400 . 3.100 3.005 2.999 3.012 . 0 0 "[ . 1 . 2]" 1
707 1 16 GLN HB3 1 70 PRO HD3 2.500 . 3.300 2.990 2.978 3.004 . 0 0 "[ . 1 . 2]" 1
708 1 16 GLN HE21 1 16 GLN HG3 2.700 . 3.600 2.696 2.226 3.489 . 0 0 "[ . 1 . 2]" 1
709 1 16 GLN HE21 1 45 LYS H 3.500 . 5.000 4.629 4.554 4.679 . 0 0 "[ . 1 . 2]" 1
710 1 16 GLN HE21 1 48 GLY HA2 2.700 . 3.600 3.245 3.128 3.314 . 0 0 "[ . 1 . 2]" 1
711 1 16 GLN HE21 1 48 GLY HA3 2.700 . 3.600 3.343 3.286 3.428 . 0 0 "[ . 1 . 2]" 1
712 1 16 GLN HE21 1 50 ASP H 3.500 . 5.000 4.462 4.373 4.493 . 0 0 "[ . 1 . 2]" 1
713 1 16 GLN HE21 1 54 ALA H 3.400 . 4.800 4.035 3.939 4.219 . 0 0 "[ . 1 . 2]" 1
714 1 16 GLN HE21 1 54 ALA HA 3.300 . 4.700 4.542 4.430 4.725 0.025 17 0 "[ . 1 . 2]" 1
715 1 16 GLN HE21 1 55 LEU H 2.400 . 3.100 2.219 2.157 2.331 . 0 0 "[ . 1 . 2]" 1
716 1 16 GLN HE21 1 55 LEU HA 2.800 . 3.800 3.518 3.497 3.535 . 0 0 "[ . 1 . 2]" 1
717 1 16 GLN HE21 1 55 LEU QB 2.400 . 3.100 2.848 2.382 3.075 . 0 0 "[ . 1 . 2]" 1
718 1 16 GLN HE21 1 57 LEU H 2.700 . 3.600 2.709 2.598 2.905 . 0 0 "[ . 1 . 2]" 1
719 1 16 GLN HE21 1 47 LEU HG 3.500 . 5.000 4.587 4.535 4.695 . 0 0 "[ . 1 . 2]" 1
720 1 16 GLN HE21 1 74 ILE H 2.700 . 3.600 2.736 2.707 2.759 . 0 0 "[ . 1 . 2]" 1
721 1 16 GLN HE21 1 74 ILE HB 3.000 . 4.100 2.986 2.835 3.129 . 0 0 "[ . 1 . 2]" 1
722 1 16 GLN HE21 1 76 ASP H 2.300 . 3.000 2.280 2.202 2.351 . 0 0 "[ . 1 . 2]" 1
723 1 16 GLN HE21 1 74 ILE HA 2.900 . 4.000 3.459 3.428 3.479 . 0 0 "[ . 1 . 2]" 1
724 1 16 GLN HE21 1 75 PHE HA 2.500 . 3.300 2.886 2.873 2.894 . 0 0 "[ . 1 . 2]" 1
725 1 16 GLN QG 1 17 THR H 2.900 . 4.000 4.071 4.031 4.117 0.117 14 0 "[ . 1 . 2]" 1
726 1 16 GLN HG3 1 86 HIS HD2 3.500 . 5.000 2.692 2.677 2.708 . 0 0 "[ . 1 . 2]" 1
727 1 17 THR H 1 17 THR HA 2.500 . 3.300 2.767 2.740 2.787 . 0 0 "[ . 1 . 2]" 1
728 1 17 THR H 1 17 THR HB 2.400 . 3.100 2.545 2.498 2.583 . 0 0 "[ . 1 . 2]" 1
729 1 17 THR H 1 17 THR HB 2.300 . 3.000 2.546 2.499 2.583 . 0 0 "[ . 1 . 2]" 1
730 1 17 THR H 1 18 LEU H 2.800 . 3.800 2.914 2.832 3.063 . 0 0 "[ . 1 . 2]" 1
731 1 17 THR H 1 19 ALA H 3.300 . 4.600 3.763 3.703 3.859 . 0 0 "[ . 1 . 2]" 1
732 1 17 THR H 1 23 ALA HA 3.200 . 4.500 3.922 3.862 3.999 . 0 0 "[ . 1 . 2]" 1
733 1 17 THR HA 1 17 THR HB 2.300 . 3.000 3.019 3.015 3.024 0.024 6 0 "[ . 1 . 2]" 1
734 1 17 THR HA 1 19 ALA H 3.400 . 4.900 4.243 4.162 4.430 . 0 0 "[ . 1 . 2]" 1
735 1 17 THR HB 1 18 LEU H 2.600 . 3.500 2.335 2.274 2.374 . 0 0 "[ . 1 . 2]" 1
736 1 17 THR HB 1 19 ALA H 3.200 . 4.400 4.352 4.278 4.438 0.038 7 0 "[ . 1 . 2]" 1
737 1 17 THR HB 1 21 LEU HB2 2.400 . 3.100 2.528 2.321 2.622 . 0 0 "[ . 1 . 2]" 1
738 1 17 THR HB 1 21 LEU HB3 2.300 . 3.000 2.964 2.952 2.976 . 0 0 "[ . 1 . 2]" 1
739 1 17 THR HB 1 92 THR H 2.600 . 3.400 3.136 3.084 3.167 . 0 0 "[ . 1 . 2]" 1
740 1 17 THR HB 1 90 ARG QB 3.300 . 4.700 3.603 3.505 3.715 . 0 0 "[ . 1 . 2]" 1
741 1 17 THR HB 1 91 LEU H 2.600 . 3.500 2.794 2.744 2.842 . 0 0 "[ . 1 . 2]" 1
742 1 17 THR HB 1 91 LEU HB2 2.500 . 3.300 2.990 2.946 2.998 . 0 0 "[ . 1 . 2]" 1
743 1 17 THR HB 1 91 LEU HB3 2.600 . 3.500 2.493 2.462 2.573 . 0 0 "[ . 1 . 2]" 1
744 1 17 THR HB 1 92 THR HA 2.100 . 2.700 2.468 2.433 2.506 . 0 0 "[ . 1 . 2]" 1
745 1 17 THR HB 1 87 LEU H 2.900 . 4.000 3.503 3.464 3.522 . 0 0 "[ . 1 . 2]" 1
746 1 17 THR HB 1 80 PRO HG3 3.000 . 4.100 3.532 3.503 3.582 . 0 0 "[ . 1 . 2]" 1
747 1 17 THR HB 1 21 LEU H 2.500 . 3.300 2.787 2.771 2.801 . 0 0 "[ . 1 . 2]" 1
748 1 17 THR HB 1 89 THR HA 2.200 . 2.800 2.960 2.943 2.971 0.171 8 0 "[ . 1 . 2]" 1
749 1 17 THR HB 1 73 LEU H 2.900 . 3.900 3.291 3.248 3.332 . 0 0 "[ . 1 . 2]" 1
750 1 17 THR HB 1 90 ARG QB 3.300 . 4.700 3.603 3.505 3.715 . 0 0 "[ . 1 . 2]" 1
751 1 17 THR HB 1 90 ARG QG 3.000 . 4.100 3.150 3.007 3.289 . 0 0 "[ . 1 . 2]" 1
752 1 17 THR HB 1 93 GLN H 2.800 . 3.800 3.510 3.233 3.678 . 0 0 "[ . 1 . 2]" 1
753 1 17 THR HB 1 72 THR H 2.600 . 3.500 2.917 2.901 2.928 . 0 0 "[ . 1 . 2]" 1
754 1 17 THR HB 1 72 THR HB 2.300 . 2.900 2.559 2.533 2.611 . 0 0 "[ . 1 . 2]" 1
755 1 17 THR HB 1 81 HIS H 2.400 . 3.100 2.835 2.820 2.853 . 0 0 "[ . 1 . 2]" 1
756 1 17 THR HB 1 89 THR H 2.300 . 2.900 2.487 2.432 2.547 . 0 0 "[ . 1 . 2]" 1
757 1 17 THR HB 1 90 ARG H 2.300 . 3.000 2.559 2.351 2.869 . 0 0 "[ . 1 . 2]" 1
758 1 17 THR HB 1 38 ILE HG13 2.500 . 3.300 2.042 1.925 2.280 . 0 0 "[ . 1 . 2]" 1
759 1 18 LEU H 1 18 LEU QB 2.600 . 3.400 2.540 2.340 2.704 . 0 0 "[ . 1 . 2]" 1
760 1 18 LEU H 1 18 LEU HG 2.600 . 3.300 2.199 1.908 3.695 0.395 7 0 "[ . 1 . 2]" 1
761 1 18 LEU H 1 19 ALA H 2.700 . 3.600 2.232 2.189 2.382 . 0 0 "[ . 1 . 2]" 1
762 1 18 LEU HA 1 19 ALA H 2.800 . 3.800 3.366 3.338 3.417 . 0 0 "[ . 1 . 2]" 1
763 1 18 LEU HA 1 21 LEU H 2.600 . 3.400 2.768 2.596 3.007 . 0 0 "[ . 1 . 2]" 1
764 1 18 LEU QB 1 19 ALA H 2.800 . 3.800 3.252 2.441 3.568 . 0 0 "[ . 1 . 2]" 1
765 1 18 LEU HG 1 19 ALA H 3.000 . 4.200 3.127 2.412 4.578 0.378 7 0 "[ . 1 . 2]" 1
766 1 18 LEU HG 1 21 LEU HA 2.300 . 2.900 2.987 2.965 3.001 0.101 1 0 "[ . 1 . 2]" 1
767 1 18 LEU HG 1 59 ASN HD22 2.800 . 3.800 3.149 2.689 3.930 0.130 9 0 "[ . 1 . 2]" 1
768 1 19 ALA H 1 19 ALA HA 2.400 . 3.100 2.815 2.771 2.826 . 0 0 "[ . 1 . 2]" 1
769 1 19 ALA H 1 20 THR H 2.600 . 3.500 2.525 2.389 2.667 . 0 0 "[ . 1 . 2]" 1
770 1 19 ALA H 1 20 THR HB 3.100 . 4.300 4.492 4.461 4.615 0.315 14 0 "[ . 1 . 2]" 1
771 1 19 ALA H 1 52 LEU H 2.300 . 3.000 2.699 2.580 2.821 . 0 0 "[ . 1 . 2]" 1
772 1 19 ALA H 1 52 LEU HA 2.900 . 4.000 3.535 3.517 3.560 . 0 0 "[ . 1 . 2]" 1
773 1 19 ALA H 1 52 LEU HB2 2.400 . 3.100 2.686 2.133 3.381 0.281 8 0 "[ . 1 . 2]" 1
774 1 19 ALA H 1 52 LEU HB3 2.500 . 3.300 2.802 1.869 3.466 0.166 12 0 "[ . 1 . 2]" 1
775 1 19 ALA H 1 58 ARG HA 3.100 . 4.300 3.525 3.483 3.557 . 0 0 "[ . 1 . 2]" 1
776 1 19 ALA H 1 58 ARG HB2 3.000 . 4.200 3.985 3.876 4.225 0.025 10 0 "[ . 1 . 2]" 1
777 1 19 ALA H 1 58 ARG HB3 3.100 . 4.300 3.187 2.517 4.011 . 0 0 "[ . 1 . 2]" 1
778 1 19 ALA H 1 58 ARG QD 3.200 . 4.500 2.943 2.144 3.558 . 0 0 "[ . 1 . 2]" 1
779 1 19 ALA H 1 77 HIS HB2 3.300 . 4.700 4.575 4.423 4.721 0.021 1 0 "[ . 1 . 2]" 1
780 1 19 ALA H 1 77 HIS HB3 3.400 . 4.800 4.116 3.806 4.281 . 0 0 "[ . 1 . 2]" 1
781 1 19 ALA H 1 80 PRO HA 2.900 . 3.900 3.548 3.448 3.595 . 0 0 "[ . 1 . 2]" 1
782 1 19 ALA H 1 82 ALA H 2.600 . 3.400 2.730 2.666 2.761 . 0 0 "[ . 1 . 2]" 1
783 1 19 ALA H 1 82 ALA HA 2.800 . 3.800 3.381 3.354 3.409 . 0 0 "[ . 1 . 2]" 1
784 1 19 ALA H 1 83 LEU HA 2.600 . 3.500 2.726 2.712 2.736 . 0 0 "[ . 1 . 2]" 1
785 1 19 ALA H 1 83 LEU HB2 2.600 . 3.500 2.228 2.187 2.255 . 0 0 "[ . 1 . 2]" 1
786 1 19 ALA H 1 83 LEU HB3 2.600 . 3.400 3.225 3.155 3.267 . 0 0 "[ . 1 . 2]" 1
787 1 19 ALA H 1 83 LEU HG 3.100 . 4.300 2.554 2.527 2.606 . 0 0 "[ . 1 . 2]" 1
788 1 19 ALA H 1 85 GLN HA 3.400 . 4.800 4.982 4.967 4.999 0.199 18 0 "[ . 1 . 2]" 1
789 1 19 ALA H 1 85 GLN HG2 3.400 . 4.800 4.374 3.768 4.565 . 0 0 "[ . 1 . 2]" 1
790 1 19 ALA H 1 85 GLN HG3 3.400 . 4.900 3.710 3.461 4.795 . 0 0 "[ . 1 . 2]" 1
791 1 19 ALA H 1 85 GLN H 2.600 . 3.400 2.548 2.517 2.598 . 0 0 "[ . 1 . 2]" 1
792 1 19 ALA HA 1 22 VAL H 2.700 . 3.600 3.222 3.088 3.346 . 0 0 "[ . 1 . 2]" 1
793 1 19 ALA HA 1 22 VAL HA 2.900 . 4.000 4.098 4.058 4.127 0.127 14 0 "[ . 1 . 2]" 1
794 1 19 ALA HA 1 53 THR H 2.700 . 3.600 3.419 3.379 3.443 . 0 0 "[ . 1 . 2]" 1
795 1 19 ALA HA 1 40 PRO HD3 3.100 . 4.300 3.544 3.510 3.579 . 0 0 "[ . 1 . 2]" 1
796 1 19 ALA HA 1 80 PRO HG2 2.800 . 3.800 2.060 2.024 2.092 . 0 0 "[ . 1 . 2]" 1
797 1 19 ALA HA 1 22 VAL HB 2.500 . 3.300 3.048 2.708 3.380 0.080 7 0 "[ . 1 . 2]" 1
798 1 20 THR H 1 21 LEU H 2.600 . 3.400 2.544 2.284 2.698 . 0 0 "[ . 1 . 2]" 1
799 1 20 THR HA 1 21 LEU H 2.800 . 3.800 3.524 3.500 3.539 . 0 0 "[ . 1 . 2]" 1
800 1 20 THR HA 1 23 ALA H 2.600 . 3.500 3.481 3.327 3.613 0.113 14 0 "[ . 1 . 2]" 1
801 1 20 THR HB 1 21 LEU H 2.400 . 3.100 2.667 2.501 2.798 . 0 0 "[ . 1 . 2]" 1
802 1 21 LEU H 1 21 LEU HA 2.400 . 3.100 2.795 2.779 2.808 . 0 0 "[ . 1 . 2]" 1
803 1 21 LEU H 1 21 LEU HB2 2.400 . 3.100 2.314 2.153 2.732 . 0 0 "[ . 1 . 2]" 1
804 1 21 LEU H 1 21 LEU HB3 2.500 . 3.300 2.618 2.214 2.816 . 0 0 "[ . 1 . 2]" 1
805 1 21 LEU H 1 21 LEU HB3 2.300 . 3.000 2.619 2.214 2.819 . 0 0 "[ . 1 . 2]" 1
806 1 21 LEU H 1 22 VAL H 2.700 . 3.600 2.789 2.725 2.850 . 0 0 "[ . 1 . 2]" 1
807 1 21 LEU H 1 22 VAL H 2.700 . 3.600 2.788 2.725 2.849 . 0 0 "[ . 1 . 2]" 1
808 1 21 LEU H 1 22 VAL HA 3.500 . 5.100 5.239 5.212 5.271 0.171 2 0 "[ . 1 . 2]" 1
809 1 21 LEU H 1 22 VAL HB 3.300 . 4.700 4.706 4.679 4.732 0.032 20 0 "[ . 1 . 2]" 1
810 1 21 LEU H 1 23 ALA H 3.300 . 4.700 3.950 3.847 4.050 . 0 0 "[ . 1 . 2]" 1
811 1 21 LEU H 1 54 ALA HA 3.200 . 4.500 4.303 3.879 4.498 . 0 0 "[ . 1 . 2]" 1
812 1 21 LEU H 1 90 ARG HA 3.300 . 4.700 3.837 3.352 4.299 . 0 0 "[ . 1 . 2]" 1
813 1 21 LEU H 1 89 THR HA 3.400 . 4.900 3.659 3.029 4.115 . 0 0 "[ . 1 . 2]" 1
814 1 21 LEU H 1 90 ARG QG 3.400 . 4.800 3.737 3.352 3.951 . 0 0 "[ . 1 . 2]" 1
815 1 21 LEU H 1 92 THR HA 2.600 . 3.400 3.474 3.392 3.518 0.118 9 0 "[ . 1 . 2]" 1
816 1 21 LEU H 1 92 THR HB 2.900 . 3.900 3.677 3.272 3.958 0.058 5 0 "[ . 1 . 2]" 1
817 1 21 LEU HA 1 21 LEU HG 2.400 . 3.100 3.040 2.984 3.132 0.032 14 0 "[ . 1 . 2]" 1
818 1 21 LEU HA 1 22 VAL H 3.000 . 4.100 3.528 3.485 3.549 . 0 0 "[ . 1 . 2]" 1
819 1 21 LEU HA 1 23 ALA H 2.900 . 3.900 3.859 3.790 3.936 0.036 3 0 "[ . 1 . 2]" 1
820 1 21 LEU HA 1 24 ALA H 2.800 . 3.800 3.732 3.538 3.811 0.011 8 0 "[ . 1 . 2]" 1
821 1 21 LEU HB2 1 22 VAL H 2.600 . 3.400 3.402 3.273 3.662 0.262 14 0 "[ . 1 . 2]" 1
822 1 21 LEU HB3 1 22 VAL H 2.700 . 3.600 2.084 1.952 2.232 . 0 0 "[ . 1 . 2]" 1
823 1 21 LEU HB3 1 45 LYS HB2 1.600 . 1.900 1.705 1.690 1.732 . 0 0 "[ . 1 . 2]" 1
824 1 21 LEU HB3 1 91 LEU HA 2.100 . 2.700 2.380 2.334 2.529 . 0 0 "[ . 1 . 2]" 1
825 1 21 LEU HB3 1 92 THR H 2.800 . 3.800 3.649 3.407 3.907 0.107 17 0 "[ . 1 . 2]" 1
826 1 22 VAL H 1 22 VAL HA 2.500 . 3.300 2.751 2.730 2.772 . 0 0 "[ . 1 . 2]" 1
827 1 22 VAL H 1 22 VAL HB 2.300 . 3.000 2.443 2.406 2.508 . 0 0 "[ . 1 . 2]" 1
828 1 22 VAL H 1 23 ALA H 2.600 . 3.400 2.747 2.660 2.809 . 0 0 "[ . 1 . 2]" 1
829 1 22 VAL H 1 23 ALA H 2.500 . 3.300 2.769 2.676 2.833 . 0 0 "[ . 1 . 2]" 1
830 1 22 VAL HA 1 23 ALA H 3.100 . 4.300 3.512 3.488 3.528 . 0 0 "[ . 1 . 2]" 1
831 1 22 VAL HA 1 23 ALA H 2.600 . 3.400 3.151 3.102 3.215 . 0 0 "[ . 1 . 2]" 1
832 1 22 VAL HA 1 25 ALA H 3.200 . 4.500 3.565 3.456 3.704 . 0 0 "[ . 1 . 2]" 1
833 1 22 VAL HA 1 26 THR H 3.200 . 4.400 4.439 4.207 4.557 0.157 3 0 "[ . 1 . 2]" 1
834 1 22 VAL HB 1 23 ALA H 2.600 . 3.300 2.515 2.362 2.610 . 0 0 "[ . 1 . 2]" 1
835 1 22 VAL HB 1 83 LEU HA 2.700 . 3.600 2.985 2.982 2.989 . 0 0 "[ . 1 . 2]" 1
836 1 22 VAL HB 1 83 LEU HG 2.700 . 3.600 2.411 2.396 2.421 . 0 0 "[ . 1 . 2]" 1
837 1 22 VAL HB 1 84 THR H 2.700 . 3.600 2.837 2.728 2.925 . 0 0 "[ . 1 . 2]" 1
838 1 23 ALA H 1 23 ALA HA 2.400 . 3.100 2.760 2.738 2.781 . 0 0 "[ . 1 . 2]" 1
839 1 23 ALA H 1 26 THR HA 3.400 . 4.900 4.850 4.812 4.882 . 0 0 "[ . 1 . 2]" 1
840 1 23 ALA H 1 26 THR HB 3.300 . 4.700 4.816 4.770 4.854 0.154 10 0 "[ . 1 . 2]" 1
841 1 23 ALA H 1 53 THR HA 2.900 . 4.000 3.540 3.361 3.733 . 0 0 "[ . 1 . 2]" 1
842 1 23 ALA H 1 54 ALA HA 2.800 . 3.800 3.711 3.596 3.770 . 0 0 "[ . 1 . 2]" 1
843 1 23 ALA H 1 55 LEU HA 3.300 . 4.700 4.387 4.203 4.531 . 0 0 "[ . 1 . 2]" 1
844 1 23 ALA H 1 56 GLU H 2.600 . 3.400 2.709 2.598 2.905 . 0 0 "[ . 1 . 2]" 1
845 1 23 ALA H 1 56 GLU HA 2.800 . 3.800 3.545 3.515 3.573 . 0 0 "[ . 1 . 2]" 1
846 1 23 ALA H 1 56 GLU QB 2.400 . 3.100 2.588 2.482 2.702 . 0 0 "[ . 1 . 2]" 1
847 1 23 ALA H 1 57 LEU HA 2.400 . 3.100 2.662 2.611 2.681 . 0 0 "[ . 1 . 2]" 1
848 1 23 ALA H 1 58 ARG H 2.700 . 3.600 2.898 2.669 3.114 . 0 0 "[ . 1 . 2]" 1
849 1 23 ALA H 1 58 ARG HA 3.400 . 4.900 4.283 4.106 4.417 . 0 0 "[ . 1 . 2]" 1
850 1 23 ALA H 1 86 HIS H 2.500 . 3.300 2.802 2.647 2.890 . 0 0 "[ . 1 . 2]" 1
851 1 23 ALA H 1 86 HIS HA 2.900 . 4.000 3.574 3.541 3.586 . 0 0 "[ . 1 . 2]" 1
852 1 23 ALA H 1 87 LEU HA 2.600 . 3.400 2.805 2.781 2.834 . 0 0 "[ . 1 . 2]" 1
853 1 23 ALA H 1 87 LEU HB2 2.700 . 3.600 2.372 2.315 2.570 . 0 0 "[ . 1 . 2]" 1
854 1 23 ALA H 1 87 LEU HB3 2.800 . 3.800 3.563 3.517 3.585 . 0 0 "[ . 1 . 2]" 1
855 1 23 ALA H 1 86 HIS HB3 2.800 . 3.800 2.401 2.360 2.473 . 0 0 "[ . 1 . 2]" 1
856 1 23 ALA H 1 86 HIS HD2 3.600 . 5.200 3.895 3.724 4.124 . 0 0 "[ . 1 . 2]" 1
857 1 23 ALA HA 1 26 THR H 3.000 . 4.100 3.362 3.312 3.405 . 0 0 "[ . 1 . 2]" 1
858 1 23 ALA HA 1 26 THR H 2.900 . 3.900 3.490 3.427 3.545 . 0 0 "[ . 1 . 2]" 1
859 1 23 ALA HA 1 26 THR HB 3.300 . 4.700 4.710 4.654 4.742 0.042 10 0 "[ . 1 . 2]" 1
860 1 24 ALA H 1 24 ALA HA 2.400 . 3.100 2.794 2.782 2.809 . 0 0 "[ . 1 . 2]" 1
861 1 24 ALA H 1 35 PRO HA 3.800 . 5.600 4.137 3.793 4.709 . 0 0 "[ . 1 . 2]" 1
862 1 24 ALA H 1 35 PRO HB2 3.300 . 4.700 3.821 3.697 4.006 . 0 0 "[ . 1 . 2]" 1
863 1 24 ALA H 1 35 PRO QB 2.900 . 4.000 2.329 2.138 2.561 . 0 0 "[ . 1 . 2]" 1
864 1 24 ALA H 1 35 PRO HB3 3.300 . 4.700 2.385 2.167 2.689 . 0 0 "[ . 1 . 2]" 1
865 1 24 ALA H 1 35 PRO HG2 3.200 . 4.500 4.352 3.985 4.541 0.041 20 0 "[ . 1 . 2]" 1
866 1 24 ALA H 1 35 PRO HG3 3.600 . 5.200 3.724 3.227 4.077 . 0 0 "[ . 1 . 2]" 1
867 1 24 ALA H 1 45 LYS H 2.900 . 3.900 2.902 2.854 2.984 . 0 0 "[ . 1 . 2]" 1
868 1 24 ALA HA 1 26 THR H 3.100 . 4.300 4.395 4.358 4.417 0.117 6 0 "[ . 1 . 2]" 1
869 1 24 ALA HA 1 27 ALA H 3.000 . 4.200 3.435 3.317 3.490 . 0 0 "[ . 1 . 2]" 1
870 1 24 ALA HA 1 35 PRO HB3 2.600 . 3.400 2.407 2.211 2.556 . 0 0 "[ . 1 . 2]" 1
871 1 24 ALA HA 1 35 PRO HB3 2.400 . 3.100 1.918 1.881 1.952 . 0 0 "[ . 1 . 2]" 1
872 1 24 ALA HA 1 35 PRO HG2 2.600 . 3.400 3.601 3.492 3.683 0.283 15 0 "[ . 1 . 2]" 1
873 1 25 ALA H 1 25 ALA HA 2.400 . 3.100 2.815 2.801 2.833 . 0 0 "[ . 1 . 2]" 1
874 1 25 ALA H 1 26 THR H 2.600 . 3.400 2.662 2.586 2.731 . 0 0 "[ . 1 . 2]" 1
875 1 25 ALA H 1 26 THR H 2.600 . 3.400 2.648 2.573 2.713 . 0 0 "[ . 1 . 2]" 1
876 1 25 ALA HA 1 26 THR H 2.600 . 3.500 3.266 3.210 3.320 . 0 0 "[ . 1 . 2]" 1
877 1 26 THR H 1 26 THR HA 2.500 . 3.300 2.820 2.811 2.832 . 0 0 "[ . 1 . 2]" 1
878 1 26 THR H 1 26 THR HA 2.500 . 3.300 2.880 2.863 2.889 . 0 0 "[ . 1 . 2]" 1
879 1 26 THR H 1 26 THR HB 2.800 . 3.800 2.774 2.733 2.848 . 0 0 "[ . 1 . 2]" 1
880 1 26 THR H 1 26 THR HB 2.600 . 3.400 2.768 2.728 2.841 . 0 0 "[ . 1 . 2]" 1
881 1 26 THR H 1 27 ALA H 2.600 . 3.500 2.280 2.226 2.338 . 0 0 "[ . 1 . 2]" 1
882 1 26 THR HA 1 26 THR HB 2.500 . 3.300 2.414 2.357 2.449 . 0 0 "[ . 1 . 2]" 1
883 1 26 THR HA 1 26 THR HB 2.300 . 3.000 2.408 2.351 2.443 . 0 0 "[ . 1 . 2]" 1
884 1 26 THR HA 1 27 ALA H 2.800 . 3.800 3.460 3.412 3.484 . 0 0 "[ . 1 . 2]" 1
885 1 26 THR HB 1 27 ALA H 3.000 . 4.100 4.082 4.017 4.144 0.044 15 0 "[ . 1 . 2]" 1
886 1 26 THR HB 1 27 ALA H 2.600 . 3.500 2.734 2.718 2.750 . 0 0 "[ . 1 . 2]" 1
887 1 26 THR HB 1 30 LEU HG 3.200 . 4.500 3.639 3.419 3.717 . 0 0 "[ . 1 . 2]" 1
888 1 26 THR HB 1 35 PRO HG2 2.300 . 3.000 2.378 2.354 2.394 . 0 0 "[ . 1 . 2]" 1
889 1 26 THR HB 1 54 ALA H 2.700 . 3.600 2.798 2.792 2.806 . 0 0 "[ . 1 . 2]" 1
890 1 26 THR HB 1 55 LEU H 3.100 . 4.300 3.390 3.360 3.409 . 0 0 "[ . 1 . 2]" 1
891 1 26 THR HB 1 55 LEU QB 3.500 . 5.000 4.908 4.876 4.951 . 0 0 "[ . 1 . 2]" 1
892 1 26 THR HB 1 57 LEU H 2.900 . 4.000 3.627 3.534 3.680 . 0 0 "[ . 1 . 2]" 1
893 1 26 THR HB 1 57 LEU HA 3.100 . 4.300 4.282 4.190 4.330 0.030 17 0 "[ . 1 . 2]" 1
894 1 26 THR HB 1 57 LEU HB2 2.700 . 3.600 3.028 2.791 3.329 . 0 0 "[ . 1 . 2]" 1
895 1 26 THR HB 1 57 LEU HB3 2.800 . 3.800 3.490 3.016 3.697 . 0 0 "[ . 1 . 2]" 1
896 1 26 THR HB 1 57 LEU HG 2.900 . 3.900 3.174 2.837 3.645 . 0 0 "[ . 1 . 2]" 1
897 1 26 THR HB 1 58 ARG H 2.700 . 3.600 2.707 2.669 2.754 . 0 0 "[ . 1 . 2]" 1
898 1 26 THR HB 1 58 ARG HB2 2.800 . 3.800 2.361 2.288 2.418 . 0 0 "[ . 1 . 2]" 1
899 1 26 THR HB 1 58 ARG HB3 2.800 . 3.800 2.792 2.480 3.011 . 0 0 "[ . 1 . 2]" 1
900 1 26 THR HB 1 58 ARG HG2 2.700 . 3.600 3.246 2.491 4.099 0.499 4 0 "[ . 1 . 2]" 1
901 1 26 THR HB 1 70 PRO HB3 3.000 . 4.100 3.809 3.785 3.838 . 0 0 "[ . 1 . 2]" 1
902 1 26 THR HB 1 70 PRO HG2 2.500 . 3.300 2.309 2.295 2.333 . 0 0 "[ . 1 . 2]" 1
903 1 26 THR HB 1 70 PRO HG3 2.500 . 3.300 2.701 2.670 2.729 . 0 0 "[ . 1 . 2]" 1
904 1 26 THR HB 1 74 ILE HB 3.200 . 4.500 3.638 3.098 3.809 . 0 0 "[ . 1 . 2]" 1
905 1 26 THR HB 1 74 ILE HG12 3.000 . 4.100 3.205 3.065 3.527 . 0 0 "[ . 1 . 2]" 1
906 1 26 THR HB 1 74 ILE HG13 2.800 . 3.800 1.824 1.786 1.954 0.014 8 0 "[ . 1 . 2]" 1
907 1 26 THR HB 1 90 ARG H 2.800 . 3.800 3.530 3.482 3.561 . 0 0 "[ . 1 . 2]" 1
908 1 26 THR HB 1 89 THR H 2.600 . 3.500 2.803 2.770 2.826 . 0 0 "[ . 1 . 2]" 1
909 1 26 THR HB 1 89 THR HB 2.400 . 3.100 3.012 3.008 3.014 . 0 0 "[ . 1 . 2]" 1
910 1 26 THR HB 1 93 GLN QG 2.900 . 4.000 3.520 2.996 4.204 0.204 19 0 "[ . 1 . 2]" 1
911 1 26 THR HB 1 29 VAL H 3.400 . 4.800 4.899 4.849 4.951 0.151 20 0 "[ . 1 . 2]" 1
912 1 26 THR HB 1 29 VAL HB 2.900 . 3.900 3.811 3.678 3.869 . 0 0 "[ . 1 . 2]" 1
913 1 26 THR HB 1 78 PRO HB2 3.000 . 4.100 3.479 3.293 3.615 . 0 0 "[ . 1 . 2]" 1
914 1 26 THR HB 1 78 PRO HG2 2.500 . 3.300 2.275 2.262 2.298 . 0 0 "[ . 1 . 2]" 1
915 1 27 ALA H 1 27 ALA HA 2.800 . 3.800 2.777 2.758 2.796 . 0 0 "[ . 1 . 2]" 1
916 1 27 ALA H 1 35 PRO HA 3.500 . 5.000 4.102 4.009 4.212 . 0 0 "[ . 1 . 2]" 1
917 1 27 ALA HA 1 28 THR H 3.200 . 4.500 3.542 3.520 3.556 . 0 0 "[ . 1 . 2]" 1
918 1 27 ALA HA 1 30 LEU H 3.000 . 4.100 3.983 3.565 4.129 0.029 6 0 "[ . 1 . 2]" 1
919 1 27 ALA HA 1 30 LEU H 3.000 . 4.100 3.239 2.423 3.541 . 0 0 "[ . 1 . 2]" 1
920 1 27 ALA HA 1 32 HIS QB 3.100 . 4.300 4.326 2.076 4.544 0.244 5 0 "[ . 1 . 2]" 1
921 1 27 ALA HA 1 32 HIS HD2 3.500 . 5.100 3.113 2.389 4.579 . 0 0 "[ . 1 . 2]" 1
922 1 27 ALA HA 1 32 HIS HE1 3.500 . 5.000 3.508 2.447 4.645 . 0 0 "[ . 1 . 2]" 1
923 1 28 THR H 1 28 THR HA 2.600 . 3.300 2.835 2.802 2.864 . 0 0 "[ . 1 . 2]" 1
924 1 28 THR H 1 28 THR HB 2.300 . 2.900 2.483 2.428 2.517 . 0 0 "[ . 1 . 2]" 1
925 1 28 THR H 1 29 VAL H 2.700 . 3.600 2.613 2.513 2.733 . 0 0 "[ . 1 . 2]" 1
926 1 28 THR H 1 29 VAL HB 3.500 . 5.000 4.234 4.143 4.354 . 0 0 "[ . 1 . 2]" 1
927 1 28 THR H 1 30 LEU H 3.400 . 4.700 4.294 4.203 4.368 . 0 0 "[ . 1 . 2]" 1
928 1 28 THR HA 1 28 THR HB 2.500 . 3.300 3.025 3.022 3.027 . 0 0 "[ . 1 . 2]" 1
929 1 28 THR HA 1 29 VAL H 2.700 . 3.600 3.444 3.358 3.498 . 0 0 "[ . 1 . 2]" 1
930 1 28 THR HA 1 31 GLY H 2.900 . 3.900 3.693 3.558 3.946 0.046 20 0 "[ . 1 . 2]" 1
931 1 28 THR HA 1 33 HIS HE1 3.500 . 5.000 4.665 4.117 5.041 0.041 12 0 "[ . 1 . 2]" 1
932 1 28 THR HB 1 29 VAL H 2.400 . 3.100 2.416 2.336 2.587 . 0 0 "[ . 1 . 2]" 1
933 1 29 VAL H 1 29 VAL HA 2.400 . 3.100 2.758 2.749 2.796 . 0 0 "[ . 1 . 2]" 1
934 1 29 VAL H 1 29 VAL HB 2.500 . 3.300 1.914 1.894 1.939 . 0 0 "[ . 1 . 2]" 1
935 1 29 VAL H 1 30 LEU H 2.600 . 3.500 2.869 2.721 2.921 . 0 0 "[ . 1 . 2]" 1
936 1 29 VAL H 1 81 HIS HA 3.100 . 4.300 4.293 4.103 4.379 0.079 3 0 "[ . 1 . 2]" 1
937 1 29 VAL H 1 82 ALA HA 2.600 . 3.500 3.452 3.383 3.542 0.042 1 0 "[ . 1 . 2]" 1
938 1 29 VAL H 1 84 THR H 2.600 . 3.400 2.527 2.496 2.573 . 0 0 "[ . 1 . 2]" 1
939 1 29 VAL H 1 85 GLN HA 2.300 . 3.000 2.753 2.739 2.760 . 0 0 "[ . 1 . 2]" 1
940 1 29 VAL H 1 85 GLN HG2 2.300 . 2.900 2.589 1.951 2.748 . 0 0 "[ . 1 . 2]" 1
941 1 29 VAL H 1 85 GLN HG3 2.300 . 3.000 2.128 1.820 3.159 0.159 1 0 "[ . 1 . 2]" 1
942 1 29 VAL HA 1 29 VAL HB 2.200 . 2.800 2.817 2.792 2.855 0.055 15 0 "[ . 1 . 2]" 1
943 1 29 VAL HA 1 30 LEU H 2.900 . 3.900 3.591 3.560 3.603 . 0 0 "[ . 1 . 2]" 1
944 1 29 VAL HB 1 30 LEU H 3.000 . 3.900 3.212 3.003 3.318 . 0 0 "[ . 1 . 2]" 1
945 1 29 VAL HB 1 31 GLY H 3.900 . 5.800 5.084 4.938 5.417 . 0 0 "[ . 1 . 2]" 1
946 1 30 LEU H 1 30 LEU HA 2.600 . 3.400 2.876 2.860 2.898 . 0 0 "[ . 1 . 2]" 1
947 1 30 LEU H 1 30 LEU HB2 2.600 . 3.500 2.735 2.586 2.801 . 0 0 "[ . 1 . 2]" 1
948 1 30 LEU H 1 30 LEU HB3 2.900 . 3.900 3.592 3.574 3.605 . 0 0 "[ . 1 . 2]" 1
949 1 30 LEU H 1 30 LEU HG 2.600 . 3.400 1.915 1.845 2.094 . 0 0 "[ . 1 . 2]" 1
950 1 30 LEU HA 1 30 LEU HB3 2.700 . 3.600 2.338 2.312 2.380 . 0 0 "[ . 1 . 2]" 1
951 1 30 LEU HA 1 30 LEU HG 2.800 . 3.800 3.280 3.167 3.337 . 0 0 "[ . 1 . 2]" 1
952 1 30 LEU HA 1 31 GLY H 2.800 . 3.800 3.440 3.343 3.552 . 0 0 "[ . 1 . 2]" 1
953 1 30 LEU HA 1 32 HIS HD2 3.500 . 5.100 4.827 4.627 5.373 0.273 20 0 "[ . 1 . 2]" 1
954 1 30 LEU HB2 1 31 GLY H 3.200 . 4.500 3.001 2.592 3.422 . 0 0 "[ . 1 . 2]" 1
955 1 30 LEU HB2 1 32 HIS HD2 3.300 . 4.600 2.026 1.821 2.829 0.179 4 0 "[ . 1 . 2]" 1
956 1 30 LEU HB3 1 31 GLY H 3.100 . 4.300 4.120 3.850 4.338 0.038 17 0 "[ . 1 . 2]" 1
957 1 30 LEU HB3 1 32 HIS HD2 2.900 . 4.000 3.391 2.906 3.653 . 0 0 "[ . 1 . 2]" 1
958 1 31 GLY H 1 31 GLY HA2 2.500 . 3.300 2.370 2.306 2.487 . 0 0 "[ . 1 . 2]" 1
959 1 31 GLY H 1 31 GLY HA3 2.500 . 3.300 2.917 2.870 2.955 . 0 0 "[ . 1 . 2]" 1
960 1 31 GLY HA3 1 48 GLY H 2.400 . 3.100 2.955 2.952 2.957 . 0 0 "[ . 1 . 2]" 1
961 1 31 GLY HA3 1 49 ILE H 2.800 . 3.800 3.340 3.284 3.425 . 0 0 "[ . 1 . 2]" 1
962 1 31 GLY HA3 1 80 PRO HA 3.400 . 4.800 3.666 3.655 3.687 . 0 0 "[ . 1 . 2]" 1
963 1 31 GLY HA3 1 80 PRO HG3 2.900 . 4.000 2.300 2.295 2.306 . 0 0 "[ . 1 . 2]" 1
964 1 31 GLY HA3 1 81 HIS H 3.000 . 4.200 3.954 3.916 3.981 . 0 0 "[ . 1 . 2]" 1
965 1 31 GLY HA3 1 80 PRO HB2 3.300 . 4.600 3.905 3.894 3.914 . 0 0 "[ . 1 . 2]" 1
966 1 32 HIS HA 1 32 HIS QB 2.300 . 3.000 2.173 2.138 2.405 . 0 0 "[ . 1 . 2]" 1
967 1 32 HIS HA 1 32 HIS HD2 3.700 . 5.400 4.467 3.928 4.775 . 0 0 "[ . 1 . 2]" 1
968 1 32 HIS QB 1 32 HIS HD2 2.900 . 3.900 2.765 2.557 2.972 . 0 0 "[ . 1 . 2]" 1
969 1 32 HIS HD2 1 80 PRO HG2 3.500 . 5.000 5.049 5.029 5.064 0.064 14 0 "[ . 1 . 2]" 1
970 1 32 HIS HD2 1 80 PRO HG3 3.500 . 5.000 3.552 3.511 3.590 . 0 0 "[ . 1 . 2]" 1
971 1 32 HIS HD2 1 83 LEU HB2 3.200 . 4.500 3.543 3.441 3.649 . 0 0 "[ . 1 . 2]" 1
972 1 33 HIS HA 1 33 HIS HB2 2.600 . 3.400 2.990 2.934 3.022 . 0 0 "[ . 1 . 2]" 1
973 1 33 HIS HA 1 33 HIS HB3 2.500 . 3.300 2.569 2.489 2.684 . 0 0 "[ . 1 . 2]" 1
974 1 33 HIS HA 1 33 HIS HD2 3.500 . 5.100 4.239 3.774 4.462 . 0 0 "[ . 1 . 2]" 1
975 1 33 HIS HB2 1 33 HIS HD2 2.800 . 3.800 2.739 2.710 2.827 . 0 0 "[ . 1 . 2]" 1
976 1 33 HIS HB3 1 33 HIS HD2 3.100 . 4.100 3.818 3.743 3.908 . 0 0 "[ . 1 . 2]" 1
977 1 33 HIS HB3 1 50 ASP H 3.400 . 4.800 2.608 2.362 2.988 . 0 0 "[ . 1 . 2]" 1
978 1 33 HIS HB3 1 51 SER H 3.300 . 4.600 3.506 3.171 3.959 . 0 0 "[ . 1 . 2]" 1
979 1 33 HIS HB3 1 52 LEU H 3.400 . 4.900 3.562 2.861 4.656 . 0 0 "[ . 1 . 2]" 1
980 1 33 HIS HB3 1 88 HIS HA 2.600 . 3.400 3.029 3.025 3.035 . 0 0 "[ . 1 . 2]" 1
981 1 33 HIS HB3 1 88 HIS HD2 3.200 . 4.500 3.962 3.944 3.977 . 0 0 "[ . 1 . 2]" 1
982 1 34 THR H 1 34 THR HB 3.600 . 5.200 3.447 2.976 4.044 . 0 0 "[ . 1 . 2]" 1
983 1 34 THR HA 1 34 THR HB 2.800 . 3.800 2.441 2.328 2.506 . 0 0 "[ . 1 . 2]" 1
984 1 34 THR HA 1 35 PRO HD2 2.600 . 3.400 2.273 2.152 2.354 . 0 0 "[ . 1 . 2]" 1
985 1 34 THR HA 1 35 PRO HD3 2.600 . 3.400 1.673 1.602 1.721 0.198 5 0 "[ . 1 . 2]" 1
986 1 34 THR HA 1 70 PRO HB3 2.800 . 3.800 2.335 2.328 2.346 . 0 0 "[ . 1 . 2]" 1
987 1 34 THR HA 1 70 PRO HD3 2.700 . 3.600 2.271 2.147 2.387 . 0 0 "[ . 1 . 2]" 1
988 1 34 THR HA 1 70 PRO HG2 3.100 . 4.300 3.605 3.574 3.637 . 0 0 "[ . 1 . 2]" 1
989 1 34 THR HA 1 70 PRO HG3 3.300 . 4.600 3.789 3.754 3.814 . 0 0 "[ . 1 . 2]" 1
990 1 34 THR HA 1 71 PRO HD3 2.800 . 3.800 2.338 2.224 2.462 . 0 0 "[ . 1 . 2]" 1
991 1 34 THR HA 1 71 PRO QG 2.900 . 4.000 3.977 3.899 4.025 0.025 7 0 "[ . 1 . 2]" 1
992 1 34 THR HB 1 35 PRO HD2 2.600 . 3.500 3.605 3.470 3.792 0.292 12 0 "[ . 1 . 2]" 1
993 1 34 THR HB 1 35 PRO HD3 2.500 . 3.300 3.574 3.353 3.724 0.424 3 0 "[ . 1 . 2]" 1
994 1 34 THR HB 1 35 PRO HG2 3.000 . 4.100 4.107 3.887 4.311 0.211 19 0 "[ . 1 . 2]" 1
995 1 34 THR HB 1 36 GLU H 3.300 . 4.600 3.077 2.435 4.032 . 0 0 "[ . 1 . 2]" 1
996 1 34 THR HB 1 36 GLU QG 3.300 . 4.600 2.803 1.975 4.801 0.201 15 0 "[ . 1 . 2]" 1
997 1 34 THR HB 1 36 GLU QG 3.200 . 4.500 2.563 1.968 3.720 . 0 0 "[ . 1 . 2]" 1
998 1 35 PRO HA 1 35 PRO HB2 2.400 . 3.100 2.889 2.811 2.921 . 0 0 "[ . 1 . 2]" 1
999 1 35 PRO HA 1 35 PRO HB3 2.400 . 3.100 2.275 2.258 2.282 . 0 0 "[ . 1 . 2]" 1
1000 1 35 PRO HA 1 35 PRO HD2 3.000 . 4.200 3.840 3.810 3.876 . 0 0 "[ . 1 . 2]" 1
1001 1 35 PRO HA 1 35 PRO HD3 3.200 . 4.400 3.989 3.958 4.007 . 0 0 "[ . 1 . 2]" 1
1002 1 35 PRO HA 1 36 GLU H 3.000 . 4.100 3.379 3.273 3.451 . 0 0 "[ . 1 . 2]" 1
1003 1 35 PRO HA 1 37 SER H 3.600 . 5.300 3.641 3.252 3.860 . 0 0 "[ . 1 . 2]" 1
1004 1 35 PRO HA 1 38 ILE HG12 2.800 . 3.800 2.188 1.967 2.378 . 0 0 "[ . 1 . 2]" 1
1005 1 35 PRO HB2 1 35 PRO HD2 2.900 . 4.000 2.962 2.823 3.294 . 0 0 "[ . 1 . 2]" 1
1006 1 35 PRO HB2 1 36 GLU H 2.400 . 3.100 2.431 2.109 2.604 . 0 0 "[ . 1 . 2]" 1
1007 1 35 PRO HB2 1 36 GLU H 3.100 . 4.300 3.423 3.131 3.766 . 0 0 "[ . 1 . 2]" 1
1008 1 35 PRO HB3 1 35 PRO HD2 2.900 . 4.000 3.836 3.787 3.935 . 0 0 "[ . 1 . 2]" 1
1009 1 35 PRO HB3 1 36 GLU H 3.400 . 4.800 4.376 4.226 4.512 . 0 0 "[ . 1 . 2]" 1
1010 1 35 PRO HD2 1 35 PRO HG3 2.600 . 3.400 3.016 3.001 3.024 . 0 0 "[ . 1 . 2]" 1
1011 1 35 PRO HD2 1 36 GLU H 3.500 . 5.000 2.141 1.939 2.389 0.061 20 0 "[ . 1 . 2]" 1
1012 1 35 PRO HD3 1 36 GLU H 3.200 . 4.500 3.347 3.229 3.481 . 0 0 "[ . 1 . 2]" 1
1013 1 35 PRO HG3 1 36 GLU H 3.200 . 4.500 4.437 4.297 4.593 0.093 6 0 "[ . 1 . 2]" 1
1014 1 36 GLU H 1 36 GLU HA 2.700 . 3.400 2.859 2.821 2.890 . 0 0 "[ . 1 . 2]" 1
1015 1 36 GLU H 1 36 GLU HB2 2.700 . 3.600 3.572 3.460 3.625 0.025 1 0 "[ . 1 . 2]" 1
1016 1 36 GLU H 1 36 GLU HB3 2.700 . 3.600 2.596 2.146 2.882 . 0 0 "[ . 1 . 2]" 1
1017 1 36 GLU H 1 36 GLU QG 2.700 . 3.600 2.120 1.774 3.563 0.026 13 0 "[ . 1 . 2]" 1
1018 1 36 GLU H 1 37 SER H 2.700 . 3.600 2.451 2.327 2.636 . 0 0 "[ . 1 . 2]" 1
1019 1 36 GLU H 1 38 ILE H 4.000 . 5.600 4.203 4.064 4.385 . 0 0 "[ . 1 . 2]" 1
1020 1 36 GLU HA 1 36 GLU QB 2.200 . 2.400 2.176 2.155 2.183 . 0 0 "[ . 1 . 2]" 1
1021 1 36 GLU HA 1 37 SER H 2.700 . 3.600 3.386 3.243 3.442 . 0 0 "[ . 1 . 2]" 1
1022 1 36 GLU QB 1 36 GLU QG 1.800 . 2.200 2.078 1.970 2.088 . 0 0 "[ . 1 . 2]" 1
1023 1 36 GLU QB 1 37 SER H 2.700 . 3.600 3.686 3.633 3.797 0.197 19 0 "[ . 1 . 2]" 1
1024 1 36 GLU HB2 1 37 SER H 3.100 . 4.300 4.132 3.943 4.426 0.126 15 0 "[ . 1 . 2]" 1
1025 1 36 GLU QG 1 37 SER H 2.900 . 3.900 2.742 2.492 3.787 . 0 0 "[ . 1 . 2]" 1
1026 1 36 GLU QG 1 37 SER HA 3.000 . 4.100 3.697 3.325 3.936 . 0 0 "[ . 1 . 2]" 1
1027 1 36 GLU QG 1 37 SER HB2 3.600 . 5.200 3.047 2.582 3.507 . 0 0 "[ . 1 . 2]" 1
1028 1 36 GLU QG 1 37 SER HB3 3.500 . 5.100 4.051 3.680 4.604 . 0 0 "[ . 1 . 2]" 1
1029 1 37 SER H 1 37 SER HA 2.500 . 3.300 2.929 2.915 2.945 . 0 0 "[ . 1 . 2]" 1
1030 1 37 SER H 1 37 SER HB2 2.700 . 3.600 2.784 2.672 3.069 . 0 0 "[ . 1 . 2]" 1
1031 1 37 SER H 1 37 SER HB2 2.600 . 3.500 2.625 1.789 2.967 . 0 0 "[ . 1 . 2]" 1
1032 1 37 SER H 1 37 SER HB3 2.600 . 3.500 2.588 2.493 2.761 . 0 0 "[ . 1 . 2]" 1
1033 1 37 SER H 1 38 ILE H 2.600 . 3.400 2.545 2.255 2.704 . 0 0 "[ . 1 . 2]" 1
1034 1 37 SER H 1 38 ILE HG12 3.100 . 4.300 2.942 2.766 3.082 . 0 0 "[ . 1 . 2]" 1
1035 1 37 SER H 1 38 ILE HG13 3.200 . 4.500 4.524 4.331 4.594 0.094 20 0 "[ . 1 . 2]" 1
1036 1 37 SER HA 1 37 SER HB3 2.300 . 2.900 3.016 3.006 3.039 0.139 15 0 "[ . 1 . 2]" 1
1037 1 37 SER HA 1 38 ILE H 2.600 . 3.400 3.019 2.975 3.098 . 0 0 "[ . 1 . 2]" 1
1038 1 37 SER HB2 1 38 ILE H 3.200 . 4.400 4.473 4.418 4.543 0.143 15 0 "[ . 1 . 2]" 1
1039 1 38 ILE H 1 38 ILE HA 2.500 . 3.300 2.563 2.549 2.581 . 0 0 "[ . 1 . 2]" 1
1040 1 38 ILE H 1 38 ILE HB 2.500 . 3.300 2.596 2.518 2.667 . 0 0 "[ . 1 . 2]" 1
1041 1 38 ILE H 1 38 ILE HG12 2.700 . 3.600 2.346 2.287 2.442 . 0 0 "[ . 1 . 2]" 1
1042 1 38 ILE H 1 38 ILE HG13 2.700 . 3.600 3.693 3.636 3.738 0.138 19 0 "[ . 1 . 2]" 1
1043 1 38 ILE H 1 39 SER H 3.300 . 4.600 4.302 4.147 4.416 . 0 0 "[ . 1 . 2]" 1
1044 1 38 ILE H 1 45 LYS HA 2.500 . 3.300 3.368 3.185 3.421 0.121 4 0 "[ . 1 . 2]" 1
1045 1 38 ILE H 1 47 LEU QB 3.300 . 4.700 3.299 3.178 3.557 . 0 0 "[ . 1 . 2]" 1
1046 1 38 ILE H 1 49 ILE HB 2.200 . 2.800 2.198 2.146 2.248 . 0 0 "[ . 1 . 2]" 1
1047 1 38 ILE H 1 80 PRO HD3 3.200 . 4.500 4.735 4.666 4.845 0.345 12 0 "[ . 1 . 2]" 1
1048 1 38 ILE H 1 89 THR HA 3.100 . 4.300 3.467 3.197 3.691 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ILE H 1 90 ARG HA 3.300 . 4.700 4.013 1.947 4.626 . 0 0 "[ . 1 . 2]" 1
1050 1 38 ILE H 1 91 LEU HA 2.900 . 4.000 3.466 3.335 3.551 . 0 0 "[ . 1 . 2]" 1
1051 1 38 ILE H 1 92 THR HA 2.400 . 3.100 2.897 2.856 2.926 . 0 0 "[ . 1 . 2]" 1
1052 1 38 ILE H 1 92 THR HB 2.600 . 3.400 3.551 3.150 3.676 0.276 19 0 "[ . 1 . 2]" 1
1053 1 38 ILE HA 1 39 SER H 2.400 . 3.100 2.156 2.125 2.190 . 0 0 "[ . 1 . 2]" 1
1054 1 38 ILE HB 1 38 ILE HG12 2.500 . 3.300 2.521 2.478 2.546 . 0 0 "[ . 1 . 2]" 1
1055 1 38 ILE HB 1 38 ILE HG13 2.500 . 3.300 2.386 2.360 2.417 . 0 0 "[ . 1 . 2]" 1
1056 1 38 ILE HB 1 39 SER H 3.300 . 4.700 4.270 4.170 4.387 . 0 0 "[ . 1 . 2]" 1
1057 1 39 SER H 1 39 SER QB 2.300 . 2.900 2.476 2.396 2.545 . 0 0 "[ . 1 . 2]" 1
1058 1 39 SER H 1 40 PRO HD2 3.600 . 5.200 4.775 4.747 4.801 . 0 0 "[ . 1 . 2]" 1
1059 1 39 SER H 1 40 PRO HD3 3.700 . 5.400 4.547 4.493 4.624 . 0 0 "[ . 1 . 2]" 1
1060 1 39 SER HA 1 39 SER QB 2.500 . 3.300 2.343 2.310 2.386 . 0 0 "[ . 1 . 2]" 1
1061 1 39 SER HA 1 40 PRO HD2 2.700 . 3.600 2.008 1.985 2.028 . 0 0 "[ . 1 . 2]" 1
1062 1 39 SER HA 1 40 PRO HD3 2.700 . 3.600 2.431 2.350 2.499 . 0 0 "[ . 1 . 2]" 1
1063 1 39 SER HA 1 50 ASP HB2 2.800 . 3.800 2.864 2.453 3.033 . 0 0 "[ . 1 . 2]" 1
1064 1 39 SER HA 1 50 ASP HB3 2.800 . 3.800 2.676 2.445 3.039 . 0 0 "[ . 1 . 2]" 1
1065 1 39 SER QB 1 42 THR H 2.100 . 2.700 2.217 2.182 2.256 . 0 0 "[ . 1 . 2]" 1
1066 1 40 PRO HA 1 40 PRO HB2 2.200 . 2.800 2.646 2.637 2.652 . 0 0 "[ . 1 . 2]" 1
1067 1 40 PRO HA 1 40 PRO HB3 2.200 . 2.800 2.270 2.267 2.277 . 0 0 "[ . 1 . 2]" 1
1068 1 40 PRO HA 1 41 ALA H 3.000 . 4.100 3.475 3.463 3.488 . 0 0 "[ . 1 . 2]" 1
1069 1 40 PRO HA 1 41 ALA H 2.900 . 4.000 3.330 3.294 3.352 . 0 0 "[ . 1 . 2]" 1
1070 1 40 PRO HA 1 80 PRO HB2 2.500 . 3.300 1.852 1.831 1.908 . 0 0 "[ . 1 . 2]" 1
1071 1 40 PRO HA 1 80 PRO HD2 3.300 . 4.400 2.254 2.142 2.316 . 0 0 "[ . 1 . 2]" 1
1072 1 40 PRO HA 1 81 HIS H 2.800 . 3.800 2.656 2.542 2.729 . 0 0 "[ . 1 . 2]" 1
1073 1 40 PRO HA 1 81 HIS QB 3.300 . 4.600 3.548 3.435 3.613 . 0 0 "[ . 1 . 2]" 1
1074 1 40 PRO HB2 1 41 ALA H 2.600 . 3.500 2.511 2.493 2.555 . 0 0 "[ . 1 . 2]" 1
1075 1 40 PRO HB2 1 41 ALA H 2.800 . 3.800 3.326 3.264 3.387 . 0 0 "[ . 1 . 2]" 1
1076 1 40 PRO HB2 1 81 HIS H 2.900 . 4.000 3.219 3.112 3.382 . 0 0 "[ . 1 . 2]" 1
1077 1 40 PRO HB2 1 81 HIS HA 2.900 . 3.900 3.681 3.494 3.852 . 0 0 "[ . 1 . 2]" 1
1078 1 40 PRO HB2 1 81 HIS HB2 2.800 . 3.800 1.922 1.837 2.017 . 0 0 "[ . 1 . 2]" 1
1079 1 40 PRO HB2 1 81 HIS QB 2.600 . 3.400 1.905 1.823 1.993 . 0 0 "[ . 1 . 2]" 1
1080 1 40 PRO HB2 1 81 HIS HB3 2.800 . 3.800 3.105 3.043 3.197 . 0 0 "[ . 1 . 2]" 1
1081 1 40 PRO HB3 1 40 PRO HD2 2.800 . 3.700 3.922 3.906 3.934 0.234 20 0 "[ . 1 . 2]" 1
1082 1 40 PRO HB3 1 40 PRO HD3 3.000 . 4.100 3.085 3.055 3.130 . 0 0 "[ . 1 . 2]" 1
1083 1 40 PRO HB3 1 41 ALA H 3.100 . 4.100 4.179 4.159 4.198 0.098 3 0 "[ . 1 . 2]" 1
1084 1 40 PRO HB3 1 81 HIS H 2.900 . 3.900 3.398 3.266 3.538 . 0 0 "[ . 1 . 2]" 1
1085 1 40 PRO HB3 1 81 HIS HA 3.000 . 4.100 3.707 3.541 3.823 . 0 0 "[ . 1 . 2]" 1
1086 1 40 PRO HB3 1 81 HIS HB2 2.900 . 4.000 3.035 2.903 3.176 . 0 0 "[ . 1 . 2]" 1
1087 1 40 PRO HB3 1 81 HIS QB 2.700 . 3.600 2.972 2.856 3.090 . 0 0 "[ . 1 . 2]" 1
1088 1 40 PRO HB3 1 81 HIS HB3 3.000 . 4.100 4.249 4.225 4.269 0.169 11 0 "[ . 1 . 2]" 1
1089 1 40 PRO HD2 1 40 PRO QG 2.200 . 2.800 2.174 2.172 2.176 . 0 0 "[ . 1 . 2]" 1
1090 1 40 PRO HD2 1 41 ALA H 2.800 . 3.800 2.729 2.674 2.782 . 0 0 "[ . 1 . 2]" 1
1091 1 40 PRO HD3 1 40 PRO QG 2.300 . 3.000 2.220 2.212 2.223 . 0 0 "[ . 1 . 2]" 1
1092 1 40 PRO HD3 1 41 ALA H 3.100 . 4.300 3.878 3.847 3.902 . 0 0 "[ . 1 . 2]" 1
1093 1 40 PRO HG2 1 41 ALA H 2.900 . 4.000 2.629 2.611 2.686 . 0 0 "[ . 1 . 2]" 1
1094 1 40 PRO HG3 1 41 ALA H 2.900 . 4.000 4.056 4.034 4.080 0.080 20 0 "[ . 1 . 2]" 1
1095 1 41 ALA H 1 41 ALA HA 2.500 . 3.300 2.863 2.851 2.878 . 0 0 "[ . 1 . 2]" 1
1096 1 41 ALA H 1 41 ALA HA 2.400 . 3.100 2.739 2.726 2.748 . 0 0 "[ . 1 . 2]" 1
1097 1 41 ALA H 1 81 HIS QB 3.700 . 5.400 4.409 4.301 4.503 . 0 0 "[ . 1 . 2]" 1
1098 1 41 ALA HA 1 42 THR H 2.600 . 3.500 3.450 3.402 3.464 . 0 0 "[ . 1 . 2]" 1
1099 1 41 ALA HA 1 81 HIS H 2.400 . 3.100 2.385 2.282 2.462 . 0 0 "[ . 1 . 2]" 1
1100 1 41 ALA HA 1 81 HIS HB2 3.000 . 4.100 3.828 3.712 3.922 . 0 0 "[ . 1 . 2]" 1
1101 1 41 ALA HA 1 81 HIS HB3 3.000 . 4.100 2.823 2.708 2.983 . 0 0 "[ . 1 . 2]" 1
1102 1 41 ALA HA 1 81 HIS H 3.200 . 4.500 4.736 4.690 4.761 0.261 5 0 "[ . 1 . 2]" 1
1103 1 41 ALA HA 1 81 HIS QB 3.100 . 4.300 3.528 3.422 3.608 . 0 0 "[ . 1 . 2]" 1
1104 1 42 THR H 1 42 THR HB 2.300 . 3.000 2.564 2.519 2.611 . 0 0 "[ . 1 . 2]" 1
1105 1 42 THR H 1 43 ALA H 3.200 . 4.400 4.514 4.494 4.525 0.125 15 0 "[ . 1 . 2]" 1
1106 1 42 THR HA 1 43 ALA H 2.100 . 2.600 2.191 2.175 2.215 . 0 0 "[ . 1 . 2]" 1
1107 1 42 THR HA 1 46 ASP QB 3.300 . 4.700 4.215 4.136 4.405 . 0 0 "[ . 1 . 2]" 1
1108 1 42 THR HB 1 43 ALA H 2.600 . 3.400 3.716 3.694 3.740 0.340 7 0 "[ . 1 . 2]" 1
1109 1 42 THR HB 1 47 LEU HG 3.100 . 4.300 2.830 2.641 3.021 . 0 0 "[ . 1 . 2]" 1
1110 1 43 ALA H 1 43 ALA HA 2.600 . 3.500 2.889 2.882 2.899 . 0 0 "[ . 1 . 2]" 1
1111 1 43 ALA H 1 46 ASP H 3.400 . 4.800 4.064 3.857 4.201 . 0 0 "[ . 1 . 2]" 1
1112 1 43 ALA H 1 46 ASP QB 2.900 . 4.000 3.038 2.879 3.201 . 0 0 "[ . 1 . 2]" 1
1113 1 43 ALA HA 1 44 PHE H 2.400 . 3.100 2.174 2.133 2.201 . 0 0 "[ . 1 . 2]" 1
1114 1 43 ALA HA 1 44 PHE H 2.300 . 2.900 2.030 1.996 2.072 . 0 0 "[ . 1 . 2]" 1
1115 1 43 ALA HA 1 45 LYS H 3.200 . 4.500 4.194 4.094 4.290 . 0 0 "[ . 1 . 2]" 1
1116 1 44 PHE H 1 44 PHE HA 2.800 . 3.800 2.737 2.718 2.755 . 0 0 "[ . 1 . 2]" 1
1117 1 44 PHE H 1 44 PHE HB2 3.200 . 4.500 2.352 2.298 2.421 . 0 0 "[ . 1 . 2]" 1
1118 1 44 PHE H 1 44 PHE QB 2.700 . 3.600 2.321 2.271 2.384 . 0 0 "[ . 1 . 2]" 1
1119 1 44 PHE H 1 44 PHE HB3 3.200 . 4.500 3.562 3.546 3.586 . 0 0 "[ . 1 . 2]" 1
1120 1 44 PHE H 1 45 LYS H 2.900 . 4.000 2.902 2.854 2.984 . 0 0 "[ . 1 . 2]" 1
1121 1 44 PHE H 1 79 THR HA 2.800 . 3.800 2.435 2.360 2.533 . 0 0 "[ . 1 . 2]" 1
1122 1 44 PHE H 1 80 PRO HD2 3.500 . 5.000 4.710 4.570 4.849 . 0 0 "[ . 1 . 2]" 1
1123 1 44 PHE H 1 80 PRO HD3 3.400 . 4.800 3.376 3.236 3.516 . 0 0 "[ . 1 . 2]" 1
1124 1 44 PHE HA 1 44 PHE HB2 3.000 . 4.100 2.993 2.985 3.013 . 0 0 "[ . 1 . 2]" 1
1125 1 44 PHE HA 1 44 PHE HB3 2.700 . 3.600 2.596 2.557 2.626 . 0 0 "[ . 1 . 2]" 1
1126 1 44 PHE HA 1 45 LYS H 3.200 . 4.500 3.528 3.517 3.546 . 0 0 "[ . 1 . 2]" 1
1127 1 44 PHE HA 1 47 LEU H 2.900 . 3.900 3.288 3.179 3.423 . 0 0 "[ . 1 . 2]" 1
1128 1 44 PHE HA 1 47 LEU QB 2.900 . 3.800 2.109 2.014 2.276 . 0 0 "[ . 1 . 2]" 1
1129 1 44 PHE HA 1 47 LEU HG 3.000 . 4.100 3.308 3.148 3.936 . 0 0 "[ . 1 . 2]" 1
1130 1 44 PHE HA 1 47 LEU HG 2.600 . 3.500 3.053 2.950 3.224 . 0 0 "[ . 1 . 2]" 1
1131 1 44 PHE HA 1 49 ILE QG 3.000 . 4.100 3.205 2.994 3.417 . 0 0 "[ . 1 . 2]" 1
1132 1 44 PHE QB 1 45 LYS H 2.700 . 3.600 2.581 2.463 2.668 . 0 0 "[ . 1 . 2]" 1
1133 1 44 PHE HB2 1 45 LYS H 3.300 . 4.600 2.690 2.548 2.798 . 0 0 "[ . 1 . 2]" 1
1134 1 44 PHE HB2 1 49 ILE H 3.500 . 5.100 5.175 5.115 5.211 0.111 18 0 "[ . 1 . 2]" 1
1135 1 44 PHE HB2 1 49 ILE HB 2.800 . 3.800 3.451 3.372 3.533 . 0 0 "[ . 1 . 2]" 1
1136 1 44 PHE HB2 1 49 ILE QG 3.200 . 4.500 3.426 3.356 3.499 . 0 0 "[ . 1 . 2]" 1
1137 1 44 PHE HB3 1 45 LYS H 3.200 . 4.500 3.384 3.318 3.442 . 0 0 "[ . 1 . 2]" 1
1138 1 44 PHE HB3 1 49 ILE H 3.500 . 5.000 3.840 3.775 3.933 . 0 0 "[ . 1 . 2]" 1
1139 1 44 PHE HB3 1 49 ILE HB 2.900 . 3.900 2.091 1.994 2.194 . 0 0 "[ . 1 . 2]" 1
1140 1 44 PHE HB3 1 49 ILE QG 3.100 . 4.300 1.812 1.788 1.829 0.112 1 0 "[ . 1 . 2]" 1
1141 1 44 PHE HZ 1 80 PRO HA 2.700 . 3.300 2.195 2.125 2.314 . 0 0 "[ . 1 . 2]" 1
1142 1 44 PHE HZ 1 80 PRO HB2 3.400 . 4.900 4.821 4.758 4.884 . 0 0 "[ . 1 . 2]" 1
1143 1 44 PHE HZ 1 80 PRO HB2 3.200 . 4.400 3.461 3.377 3.551 . 0 0 "[ . 1 . 2]" 1
1144 1 44 PHE HZ 1 83 LEU HB3 3.300 . 4.700 4.656 4.557 4.687 . 0 0 "[ . 1 . 2]" 1
1145 1 45 LYS H 1 45 LYS HA 2.300 . 3.000 2.709 2.670 2.725 . 0 0 "[ . 1 . 2]" 1
1146 1 45 LYS H 1 45 LYS HB2 2.200 . 2.800 2.486 2.403 2.531 . 0 0 "[ . 1 . 2]" 1
1147 1 45 LYS H 1 45 LYS HB3 2.200 . 2.800 2.499 2.431 2.564 . 0 0 "[ . 1 . 2]" 1
1148 1 45 LYS H 1 45 LYS QD 2.900 . 4.000 4.081 4.010 4.181 0.181 9 0 "[ . 1 . 2]" 1
1149 1 45 LYS H 1 45 LYS QE 3.300 . 4.600 4.560 3.995 4.762 0.162 8 0 "[ . 1 . 2]" 1
1150 1 45 LYS H 1 46 ASP H 2.600 . 3.400 3.066 3.007 3.169 . 0 0 "[ . 1 . 2]" 1
1151 1 45 LYS H 1 47 LEU H 3.500 . 5.000 3.939 3.835 4.050 . 0 0 "[ . 1 . 2]" 1
1152 1 45 LYS HA 1 45 LYS HB2 2.200 . 2.700 2.419 2.392 2.451 . 0 0 "[ . 1 . 2]" 1
1153 1 45 LYS HA 1 45 LYS HB3 2.300 . 2.900 3.012 3.006 3.016 0.116 6 0 "[ . 1 . 2]" 1
1154 1 45 LYS HA 1 45 LYS HB3 2.100 . 2.600 2.023 1.886 2.130 . 0 0 "[ . 1 . 2]" 1
1155 1 45 LYS HA 1 45 LYS QD 2.700 . 3.600 2.092 1.929 2.210 . 0 0 "[ . 1 . 2]" 1
1156 1 45 LYS HA 1 45 LYS QG 2.300 . 3.000 2.984 2.879 3.053 0.053 1 0 "[ . 1 . 2]" 1
1157 1 45 LYS HA 1 45 LYS HG3 2.600 . 3.400 3.123 2.984 3.211 . 0 0 "[ . 1 . 2]" 1
1158 1 45 LYS HA 1 48 GLY H 3.000 . 4.100 3.703 3.584 3.890 . 0 0 "[ . 1 . 2]" 1
1159 1 45 LYS HA 1 49 ILE HB 2.900 . 3.900 3.059 2.932 3.284 . 0 0 "[ . 1 . 2]" 1
1160 1 45 LYS HB2 1 46 ASP H 2.700 . 3.600 3.560 3.516 3.655 0.055 9 0 "[ . 1 . 2]" 1
1161 1 45 LYS HB3 1 46 ASP HA 2.900 . 4.000 3.989 3.897 4.052 0.052 4 0 "[ . 1 . 2]" 1
1162 1 45 LYS HB3 1 45 LYS QE 3.000 . 4.100 3.706 3.351 3.861 . 0 0 "[ . 1 . 2]" 1
1163 1 45 LYS HB3 1 46 ASP H 2.600 . 3.400 2.041 1.990 2.163 . 0 0 "[ . 1 . 2]" 1
1164 1 45 LYS QD 1 45 LYS QG 1.800 . 2.200 2.019 2.007 2.026 . 0 0 "[ . 1 . 2]" 1
1165 1 45 LYS QD 1 46 ASP H 3.000 . 4.200 4.392 4.240 4.444 0.244 17 0 "[ . 1 . 2]" 1
1166 1 45 LYS QE 1 45 LYS HG2 2.300 . 3.000 2.823 2.158 3.097 0.097 17 0 "[ . 1 . 2]" 1
1167 1 45 LYS QE 1 45 LYS QG 2.000 . 2.500 2.130 2.075 2.251 . 0 0 "[ . 1 . 2]" 1
1168 1 45 LYS QE 1 45 LYS HG3 2.300 . 3.000 2.469 2.111 3.250 0.250 15 0 "[ . 1 . 2]" 1
1169 1 45 LYS HG2 1 46 ASP HA 3.300 . 4.700 4.760 4.721 4.793 0.093 6 0 "[ . 1 . 2]" 1
1170 1 45 LYS HG3 1 46 ASP HA 3.400 . 4.800 3.179 3.086 3.397 . 0 0 "[ . 1 . 2]" 1
1171 1 46 ASP H 1 46 ASP HA 2.500 . 3.300 2.784 2.761 2.822 . 0 0 "[ . 1 . 2]" 1
1172 1 46 ASP H 1 46 ASP QB 2.300 . 2.900 2.332 2.217 2.496 . 0 0 "[ . 1 . 2]" 1
1173 1 46 ASP HA 1 46 ASP QB 2.400 . 3.100 2.280 2.255 2.313 . 0 0 "[ . 1 . 2]" 1
1174 1 46 ASP HA 1 47 LEU H 2.800 . 3.800 3.440 3.331 3.474 . 0 0 "[ . 1 . 2]" 1
1175 1 46 ASP HA 1 48 GLY H 3.100 . 4.300 3.849 3.724 3.970 . 0 0 "[ . 1 . 2]" 1
1176 1 47 LEU H 1 47 LEU QB 2.300 . 3.000 2.037 1.993 2.123 . 0 0 "[ . 1 . 2]" 1
1177 1 47 LEU H 1 48 GLY H 2.500 . 3.300 2.529 2.324 2.623 . 0 0 "[ . 1 . 2]" 1
1178 1 47 LEU HA 1 48 GLY H 2.800 . 3.800 3.428 3.402 3.460 . 0 0 "[ . 1 . 2]" 1
1179 1 47 LEU QB 1 48 GLY H 3.200 . 4.500 3.090 2.988 3.147 . 0 0 "[ . 1 . 2]" 1
1180 1 48 GLY H 1 48 GLY HA2 2.400 . 3.100 2.476 2.437 2.492 . 0 0 "[ . 1 . 2]" 1
1181 1 48 GLY H 1 48 GLY HA3 2.300 . 3.000 2.956 2.953 2.959 . 0 0 "[ . 1 . 2]" 1
1182 1 48 GLY H 1 49 ILE HB 3.100 . 4.300 3.936 3.838 3.975 . 0 0 "[ . 1 . 2]" 1
1183 1 49 ILE H 1 49 ILE HG12 2.600 . 3.400 2.706 2.562 3.141 . 0 0 "[ . 1 . 2]" 1
1184 1 49 ILE H 1 49 ILE HG13 2.600 . 3.500 3.653 3.588 3.718 0.218 1 0 "[ . 1 . 2]" 1
1185 1 49 ILE HA 1 50 ASP H 2.200 . 2.800 2.117 2.094 2.146 . 0 0 "[ . 1 . 2]" 1
1186 1 49 ILE HB 1 50 ASP H 3.200 . 4.500 4.361 4.306 4.447 . 0 0 "[ . 1 . 2]" 1
1187 1 50 ASP H 1 50 ASP HA 2.500 . 3.300 2.944 2.919 2.950 . 0 0 "[ . 1 . 2]" 1
1188 1 50 ASP H 1 50 ASP HB2 3.100 . 4.300 2.608 2.362 2.988 . 0 0 "[ . 1 . 2]" 1
1189 1 50 ASP H 1 50 ASP HB3 3.100 . 4.300 3.336 2.467 3.741 . 0 0 "[ . 1 . 2]" 1
1190 1 50 ASP H 1 50 ASP HB3 3.000 . 4.100 3.336 2.467 3.741 . 0 0 "[ . 1 . 2]" 1
1191 1 50 ASP H 1 53 THR H 3.000 . 4.100 3.378 3.161 3.535 . 0 0 "[ . 1 . 2]" 1
1192 1 50 ASP H 1 53 THR H 3.000 . 4.100 3.094 2.956 3.222 . 0 0 "[ . 1 . 2]" 1
1193 1 50 ASP H 1 53 THR HB 2.900 . 4.000 3.498 3.257 3.599 . 0 0 "[ . 1 . 2]" 1
1194 1 50 ASP H 1 54 ALA H 3.200 . 4.500 3.593 3.502 3.714 . 0 0 "[ . 1 . 2]" 1
1195 1 50 ASP H 1 75 PHE H 2.300 . 3.000 2.280 2.202 2.351 . 0 0 "[ . 1 . 2]" 1
1196 1 50 ASP H 1 95 HIS HD2 3.300 . 4.700 3.905 1.902 4.129 . 0 0 "[ . 1 . 2]" 1
1197 1 50 ASP H 1 95 HIS HA 2.400 . 3.100 2.898 2.751 2.937 . 0 0 "[ . 1 . 2]" 1
1198 1 50 ASP H 1 95 HIS HB2 2.700 . 3.600 2.912 2.362 3.518 . 0 0 "[ . 1 . 2]" 1
1199 1 50 ASP H 1 95 HIS HB3 2.700 . 3.600 2.941 2.499 3.678 0.078 19 0 "[ . 1 . 2]" 1
1200 1 50 ASP HB2 1 88 HIS H 2.500 . 3.300 2.579 2.521 2.652 . 0 0 "[ . 1 . 2]" 1
1201 1 50 ASP HB3 1 51 SER H 3.300 . 4.600 2.528 2.029 3.633 . 0 0 "[ . 1 . 2]" 1
1202 1 50 ASP HB3 1 52 LEU H 3.500 . 5.000 2.986 2.695 3.364 . 0 0 "[ . 1 . 2]" 1
1203 1 51 SER HA 1 54 ALA H 3.100 . 4.300 3.491 3.307 3.622 . 0 0 "[ . 1 . 2]" 1
1204 1 52 LEU H 1 52 LEU HB2 2.400 . 3.000 2.335 2.030 2.586 . 0 0 "[ . 1 . 2]" 1
1205 1 52 LEU H 1 52 LEU HB3 2.300 . 2.900 2.314 1.993 2.741 . 0 0 "[ . 1 . 2]" 1
1206 1 52 LEU H 1 53 THR HA 3.500 . 5.000 5.220 5.147 5.294 0.294 8 0 "[ . 1 . 2]" 1
1207 1 52 LEU HA 1 52 LEU HB2 2.300 . 3.000 2.826 2.578 3.010 0.010 4 0 "[ . 1 . 2]" 1
1208 1 52 LEU HA 1 52 LEU HB3 2.100 . 2.600 2.502 2.342 2.856 0.256 11 0 "[ . 1 . 2]" 1
1209 1 52 LEU HA 1 55 LEU H 2.800 . 3.800 3.644 3.484 3.760 . 0 0 "[ . 1 . 2]" 1
1210 1 52 LEU HA 1 55 LEU QB 2.600 . 3.400 2.725 2.345 2.860 . 0 0 "[ . 1 . 2]" 1
1211 1 52 LEU HA 1 55 LEU HG 2.900 . 4.000 4.183 4.095 4.234 0.234 20 0 "[ . 1 . 2]" 1
1212 1 52 LEU HG 1 53 THR H 2.800 . 3.800 3.881 3.828 4.057 0.257 11 0 "[ . 1 . 2]" 1
1213 1 53 THR H 1 53 THR HA 2.600 . 3.500 2.806 2.768 2.829 . 0 0 "[ . 1 . 2]" 1
1214 1 53 THR H 1 53 THR HB 2.800 . 3.800 3.504 3.457 3.525 . 0 0 "[ . 1 . 2]" 1
1215 1 53 THR H 1 55 LEU H 3.400 . 4.800 3.834 3.707 3.952 . 0 0 "[ . 1 . 2]" 1
1216 1 53 THR HA 1 55 LEU H 3.000 . 4.100 3.369 3.292 3.424 . 0 0 "[ . 1 . 2]" 1
1217 1 53 THR HA 1 56 GLU H 2.300 . 3.000 2.278 2.237 2.322 . 0 0 "[ . 1 . 2]" 1
1218 1 53 THR HA 1 56 GLU H 2.500 . 3.300 2.454 2.380 2.550 . 0 0 "[ . 1 . 2]" 1
1219 1 53 THR HB 1 56 GLU H 3.200 . 4.500 4.621 4.574 4.728 0.228 11 0 "[ . 1 . 2]" 1
1220 1 54 ALA H 1 54 ALA HA 2.400 . 3.100 2.800 2.793 2.807 . 0 0 "[ . 1 . 2]" 1
1221 1 54 ALA H 1 55 LEU H 2.600 . 3.400 2.547 2.520 2.576 . 0 0 "[ . 1 . 2]" 1
1222 1 54 ALA H 1 55 LEU QB 3.300 . 4.600 4.153 4.086 4.223 . 0 0 "[ . 1 . 2]" 1
1223 1 54 ALA H 1 56 GLU H 3.200 . 4.500 4.035 3.940 4.220 . 0 0 "[ . 1 . 2]" 1
1224 1 54 ALA HA 1 55 LEU H 2.800 . 3.800 3.397 3.366 3.417 . 0 0 "[ . 1 . 2]" 1
1225 1 54 ALA HA 1 57 LEU HB2 2.600 . 3.500 3.115 2.833 3.470 . 0 0 "[ . 1 . 2]" 1
1226 1 55 LEU H 1 55 LEU HA 2.400 . 3.100 2.903 2.888 2.912 . 0 0 "[ . 1 . 2]" 1
1227 1 55 LEU H 1 55 LEU QB 2.100 . 2.700 2.077 2.046 2.109 . 0 0 "[ . 1 . 2]" 1
1228 1 55 LEU H 1 56 GLU H 2.400 . 3.100 2.220 2.157 2.331 . 0 0 "[ . 1 . 2]" 1
1229 1 55 LEU H 1 56 GLU HA 3.500 . 5.000 4.890 4.849 4.963 . 0 0 "[ . 1 . 2]" 1
1230 1 55 LEU H 1 56 GLU QB 3.100 . 4.300 4.288 4.259 4.318 0.018 9 0 "[ . 1 . 2]" 1
1231 1 55 LEU H 1 56 GLU HG2 3.400 . 4.800 4.888 4.841 4.968 0.168 12 0 "[ . 1 . 2]" 1
1232 1 55 LEU H 1 56 GLU HG3 3.300 . 4.700 3.675 3.534 3.843 . 0 0 "[ . 1 . 2]" 1
1233 1 55 LEU H 1 57 LEU H 3.400 . 4.800 3.771 3.654 3.848 . 0 0 "[ . 1 . 2]" 1
1234 1 55 LEU H 1 57 LEU H 3.300 . 4.600 3.770 3.654 3.848 . 0 0 "[ . 1 . 2]" 1
1235 1 55 LEU HA 1 56 GLU HG2 2.400 . 3.100 2.473 2.401 2.526 . 0 0 "[ . 1 . 2]" 1
1236 1 55 LEU HA 1 56 GLU HG3 2.400 . 3.100 3.263 3.212 3.338 0.238 9 0 "[ . 1 . 2]" 1
1237 1 55 LEU HA 1 58 ARG QD 2.700 . 3.600 2.611 1.837 3.038 0.063 10 0 "[ . 1 . 2]" 1
1238 1 55 LEU HG 1 56 GLU H 2.900 . 3.900 3.112 2.647 4.317 0.417 11 0 "[ . 1 . 2]" 1
1239 1 55 LEU HG 1 59 ASN HD21 3.200 . 4.500 3.519 2.739 4.614 0.114 17 0 "[ . 1 . 2]" 1
1240 1 55 LEU HG 1 59 ASN HD22 3.000 . 4.100 3.149 2.690 3.933 . 0 0 "[ . 1 . 2]" 1
1241 1 56 GLU H 1 56 GLU HA 2.400 . 3.100 2.810 2.769 2.832 . 0 0 "[ . 1 . 2]" 1
1242 1 56 GLU H 1 56 GLU QB 2.200 . 2.800 2.526 2.496 2.584 . 0 0 "[ . 1 . 2]" 1
1243 1 56 GLU H 1 56 GLU HG2 2.400 . 3.100 2.936 2.735 3.037 . 0 0 "[ . 1 . 2]" 1
1244 1 56 GLU H 1 56 GLU HG3 2.400 . 3.100 2.060 1.966 2.154 . 0 0 "[ . 1 . 2]" 1
1245 1 56 GLU HA 1 59 ASN H 2.800 . 3.800 3.337 3.087 3.686 . 0 0 "[ . 1 . 2]" 1
1246 1 56 GLU HA 1 59 ASN HB2 2.500 . 3.300 2.158 2.057 2.271 . 0 0 "[ . 1 . 2]" 1
1247 1 56 GLU HA 1 59 ASN HB3 2.600 . 3.400 3.572 3.504 3.600 0.200 12 0 "[ . 1 . 2]" 1
1248 1 56 GLU HA 1 59 ASN HD21 2.800 . 3.600 2.052 1.799 2.458 0.001 20 0 "[ . 1 . 2]" 1
1249 1 56 GLU HA 1 59 ASN HD22 2.900 . 3.900 3.456 2.972 3.956 0.056 11 0 "[ . 1 . 2]" 1
1250 1 56 GLU HG3 1 57 LEU H 3.000 . 4.100 4.108 4.078 4.135 0.035 16 0 "[ . 1 . 2]" 1
1251 1 57 LEU H 1 57 LEU HB2 2.500 . 3.300 2.308 2.005 2.490 . 0 0 "[ . 1 . 2]" 1
1252 1 57 LEU H 1 57 LEU HB3 2.500 . 3.300 3.331 2.592 3.568 0.268 14 0 "[ . 1 . 2]" 1
1253 1 57 LEU H 1 57 LEU HG 2.900 . 3.900 3.012 2.357 4.388 0.488 17 0 "[ . 1 . 2]" 1
1254 1 57 LEU H 1 83 LEU HA 3.200 . 4.500 3.385 3.274 3.512 . 0 0 "[ . 1 . 2]" 1
1255 1 57 LEU H 1 86 HIS HB2 2.800 . 3.800 3.792 3.764 3.843 0.043 4 0 "[ . 1 . 2]" 1
1256 1 58 ARG H 1 58 ARG HG3 3.200 . 4.500 3.805 2.459 4.560 0.060 17 0 "[ . 1 . 2]" 1
1257 1 58 ARG H 1 59 ASN H 2.600 . 3.500 2.849 2.731 2.922 . 0 0 "[ . 1 . 2]" 1
1258 1 58 ARG HA 1 59 ASN H 3.000 . 4.100 3.528 3.485 3.559 . 0 0 "[ . 1 . 2]" 1
1259 1 58 ARG HA 1 61 LEU HB2 3.400 . 4.800 2.316 1.848 3.956 0.152 10 0 "[ . 1 . 2]" 1
1260 1 58 ARG HA 1 61 LEU HG 3.200 . 4.500 4.105 2.961 4.631 0.131 8 0 "[ . 1 . 2]" 1
1261 1 58 ARG HA 1 62 THR H 3.600 . 5.200 3.413 3.163 3.987 . 0 0 "[ . 1 . 2]" 1
1262 1 58 ARG QB 1 58 ARG QD 2.700 . 3.600 2.150 2.041 2.207 . 0 0 "[ . 1 . 2]" 1
1263 1 58 ARG HB3 1 59 ASN H 2.400 . 3.100 2.881 2.468 3.309 0.209 19 0 "[ . 1 . 2]" 1
1264 1 58 ARG QD 1 59 ASN H 2.500 . 3.300 2.152 1.929 2.292 . 0 0 "[ . 1 . 2]" 1
1265 1 58 ARG QD 1 71 PRO HA 2.900 . 3.900 2.750 2.279 3.165 . 0 0 "[ . 1 . 2]" 1
1266 1 59 ASN H 1 59 ASN HA 2.500 . 3.300 2.782 2.757 2.815 . 0 0 "[ . 1 . 2]" 1
1267 1 59 ASN H 1 59 ASN HB2 2.700 . 3.600 2.232 2.129 2.347 . 0 0 "[ . 1 . 2]" 1
1268 1 59 ASN H 1 59 ASN HB3 2.600 . 3.400 3.503 3.452 3.569 0.169 6 0 "[ . 1 . 2]" 1
1269 1 59 ASN H 1 59 ASN HD21 3.300 . 4.700 3.929 3.828 3.997 . 0 0 "[ . 1 . 2]" 1
1270 1 59 ASN H 1 59 ASN HD22 3.400 . 4.900 4.521 4.377 4.771 . 0 0 "[ . 1 . 2]" 1
1271 1 59 ASN H 1 60 THR H 2.600 . 3.500 2.813 2.717 2.920 . 0 0 "[ . 1 . 2]" 1
1272 1 59 ASN HA 1 59 ASN HB2 2.800 . 3.300 2.986 2.948 3.008 . 0 0 "[ . 1 . 2]" 1
1273 1 59 ASN HA 1 59 ASN HB3 2.600 . 3.100 2.644 2.599 2.730 . 0 0 "[ . 1 . 2]" 1
1274 1 59 ASN HA 1 59 ASN HD21 3.300 . 4.700 4.379 4.308 4.429 . 0 0 "[ . 1 . 2]" 1
1275 1 59 ASN HA 1 59 ASN HD22 3.400 . 4.900 4.525 4.435 4.614 . 0 0 "[ . 1 . 2]" 1
1276 1 59 ASN HA 1 60 THR H 3.000 . 4.100 3.553 3.525 3.573 . 0 0 "[ . 1 . 2]" 1
1277 1 59 ASN HA 1 62 THR H 3.000 . 4.100 3.957 3.503 4.084 . 0 0 "[ . 1 . 2]" 1
1278 1 59 ASN HA 1 62 THR H 2.300 . 3.000 2.346 2.079 2.430 . 0 0 "[ . 1 . 2]" 1
1279 1 59 ASN HB2 1 59 ASN HD21 2.700 . 3.600 2.293 2.229 2.321 . 0 0 "[ . 1 . 2]" 1
1280 1 59 ASN HB2 1 59 ASN HD22 2.700 . 3.600 3.500 3.467 3.509 . 0 0 "[ . 1 . 2]" 1
1281 1 59 ASN HB2 1 60 THR H 2.800 . 3.800 2.598 2.411 2.888 . 0 0 "[ . 1 . 2]" 1
1282 1 59 ASN HB3 1 59 ASN HD21 2.700 . 3.500 2.810 2.722 2.862 . 0 0 "[ . 1 . 2]" 1
1283 1 59 ASN HB3 1 59 ASN HD22 2.800 . 3.800 3.731 3.692 3.765 . 0 0 "[ . 1 . 2]" 1
1284 1 59 ASN HB3 1 60 THR H 2.800 . 3.800 3.159 2.887 3.401 . 0 0 "[ . 1 . 2]" 1
1285 1 59 ASN HB3 1 81 HIS H 2.300 . 3.000 2.186 2.131 2.221 . 0 0 "[ . 1 . 2]" 1
1286 1 59 ASN HB3 1 82 ALA H 2.600 . 3.400 2.676 2.619 2.728 . 0 0 "[ . 1 . 2]" 1
1287 1 59 ASN HB3 1 90 ARG HA 2.800 . 3.700 2.020 1.766 3.627 0.134 4 0 "[ . 1 . 2]" 1
1288 1 59 ASN HB3 1 90 ARG QB 3.100 . 4.300 2.787 2.516 3.382 . 0 0 "[ . 1 . 2]" 1
1289 1 59 ASN HB3 1 90 ARG QG 2.500 . 3.300 2.378 2.147 2.481 . 0 0 "[ . 1 . 2]" 1
1290 1 60 THR H 1 60 THR HA 2.500 . 3.300 2.841 2.812 2.888 . 0 0 "[ . 1 . 2]" 1
1291 1 60 THR H 1 60 THR HB 2.400 . 3.000 2.587 2.437 2.669 . 0 0 "[ . 1 . 2]" 1
1292 1 60 THR H 1 61 LEU H 2.600 . 3.500 2.596 2.377 2.781 . 0 0 "[ . 1 . 2]" 1
1293 1 60 THR H 1 62 THR H 3.500 . 5.000 4.361 4.155 4.569 . 0 0 "[ . 1 . 2]" 1
1294 1 60 THR HA 1 61 LEU H 2.800 . 3.800 3.539 3.514 3.589 . 0 0 "[ . 1 . 2]" 1
1295 1 60 THR HA 1 63 HIS H 3.000 . 4.100 3.725 3.297 3.900 . 0 0 "[ . 1 . 2]" 1
1296 1 60 THR HA 1 63 HIS HB2 2.700 . 3.600 3.397 2.275 3.667 0.067 14 0 "[ . 1 . 2]" 1
1297 1 60 THR HA 1 63 HIS QB 2.600 . 3.400 2.590 2.256 2.695 . 0 0 "[ . 1 . 2]" 1
1298 1 60 THR HA 1 63 HIS HB3 2.700 . 3.600 2.750 2.557 3.733 0.133 17 0 "[ . 1 . 2]" 1
1299 1 60 THR HA 1 63 HIS HD2 3.200 . 4.500 4.481 4.417 4.522 0.022 20 0 "[ . 1 . 2]" 1
1300 1 60 THR HB 1 61 LEU H 2.400 . 3.100 2.571 2.459 2.665 . 0 0 "[ . 1 . 2]" 1
1301 1 61 LEU H 1 61 LEU HB2 2.900 . 3.900 2.351 2.125 2.685 . 0 0 "[ . 1 . 2]" 1
1302 1 61 LEU H 1 61 LEU HB3 2.700 . 3.600 3.456 1.959 3.594 . 0 0 "[ . 1 . 2]" 1
1303 1 61 LEU H 1 62 THR H 2.600 . 3.400 2.792 2.636 2.921 . 0 0 "[ . 1 . 2]" 1
1304 1 61 LEU HA 1 64 ASN H 2.700 . 3.600 3.315 3.190 3.461 . 0 0 "[ . 1 . 2]" 1
1305 1 61 LEU HA 1 64 ASN HB2 2.900 . 3.900 2.621 2.493 2.802 . 0 0 "[ . 1 . 2]" 1
1306 1 61 LEU HA 1 64 ASN HB3 2.800 . 3.800 3.966 3.938 3.993 0.193 12 0 "[ . 1 . 2]" 1
1307 1 61 LEU HB2 1 62 THR H 3.000 . 4.100 2.602 2.388 4.059 . 0 0 "[ . 1 . 2]" 1
1308 1 61 LEU HB3 1 62 THR H 2.900 . 4.000 3.216 2.751 3.634 . 0 0 "[ . 1 . 2]" 1
1309 1 62 THR H 1 62 THR HA 2.500 . 3.300 2.822 2.746 2.850 . 0 0 "[ . 1 . 2]" 1
1310 1 62 THR H 1 62 THR HB 2.400 . 3.100 2.364 2.089 2.449 . 0 0 "[ . 1 . 2]" 1
1311 1 62 THR H 1 63 HIS H 2.700 . 3.500 2.565 2.460 2.711 . 0 0 "[ . 1 . 2]" 1
1312 1 62 THR H 1 63 HIS QB 3.300 . 4.700 4.264 4.165 4.356 . 0 0 "[ . 1 . 2]" 1
1313 1 62 THR H 1 64 ASN H 3.600 . 5.200 4.194 3.927 4.272 . 0 0 "[ . 1 . 2]" 1
1314 1 62 THR HA 1 62 THR HB 2.400 . 3.100 2.631 2.532 3.020 . 0 0 "[ . 1 . 2]" 1
1315 1 62 THR HA 1 64 ASN H 2.900 . 4.000 3.564 3.286 3.722 . 0 0 "[ . 1 . 2]" 1
1316 1 62 THR HA 1 65 THR H 2.700 . 3.600 3.163 3.098 3.248 . 0 0 "[ . 1 . 2]" 1
1317 1 62 THR HA 1 67 LEU H 2.500 . 3.300 2.947 2.766 3.051 . 0 0 "[ . 1 . 2]" 1
1318 1 62 THR HA 1 67 LEU H 2.800 . 3.800 3.360 3.224 3.609 . 0 0 "[ . 1 . 2]" 1
1319 1 63 HIS H 1 63 HIS HA 2.300 . 3.000 2.833 2.790 2.854 . 0 0 "[ . 1 . 2]" 1
1320 1 63 HIS H 1 63 HIS HB2 2.400 . 3.100 2.470 2.091 2.589 . 0 0 "[ . 1 . 2]" 1
1321 1 63 HIS H 1 63 HIS QB 2.300 . 2.900 2.200 2.073 2.221 . 0 0 "[ . 1 . 2]" 1
1322 1 63 HIS H 1 63 HIS HB3 2.400 . 3.100 2.516 2.364 3.408 0.308 17 0 "[ . 1 . 2]" 1
1323 1 63 HIS H 1 64 ASN H 2.400 . 3.100 2.345 2.196 2.418 . 0 0 "[ . 1 . 2]" 1
1324 1 63 HIS H 1 64 ASN H 2.500 . 3.300 2.582 2.458 2.725 . 0 0 "[ . 1 . 2]" 1
1325 1 63 HIS H 1 64 ASN HA 2.800 . 3.800 3.474 3.438 3.497 . 0 0 "[ . 1 . 2]" 1
1326 1 63 HIS H 1 64 ASN HB2 3.100 . 4.300 2.882 2.749 3.074 . 0 0 "[ . 1 . 2]" 1
1327 1 63 HIS H 1 64 ASN HB3 3.000 . 4.200 3.207 2.954 3.405 . 0 0 "[ . 1 . 2]" 1
1328 1 63 HIS H 1 66 GLY H 2.500 . 3.300 2.302 2.245 2.363 . 0 0 "[ . 1 . 2]" 1
1329 1 63 HIS HA 1 63 HIS QB 2.100 . 2.700 2.363 2.316 2.471 . 0 0 "[ . 1 . 2]" 1
1330 1 63 HIS HA 1 63 HIS HD2 3.100 . 4.300 4.279 2.897 4.373 0.073 3 0 "[ . 1 . 2]" 1
1331 1 63 HIS HA 1 64 ASN H 2.800 . 3.600 3.510 3.436 3.527 . 0 0 "[ . 1 . 2]" 1
1332 1 63 HIS QB 1 63 HIS HD2 2.600 . 3.500 2.687 2.636 3.025 . 0 0 "[ . 1 . 2]" 1
1333 1 63 HIS QB 1 64 ASN H 2.500 . 3.300 2.321 2.227 2.836 . 0 0 "[ . 1 . 2]" 1
1334 1 63 HIS HB2 1 63 HIS HD2 2.900 . 4.000 3.793 3.152 3.865 . 0 0 "[ . 1 . 2]" 1
1335 1 63 HIS HB2 1 64 ASN H 2.600 . 3.400 3.638 2.977 3.716 0.316 2 0 "[ . 1 . 2]" 1
1336 1 63 HIS HB3 1 63 HIS HD2 3.000 . 4.100 2.783 2.689 3.900 . 0 0 "[ . 1 . 2]" 1
1337 1 63 HIS HB3 1 64 ASN H 2.600 . 3.500 2.380 2.247 3.566 0.066 17 0 "[ . 1 . 2]" 1
1338 1 63 HIS HD2 1 64 ASN H 3.300 . 4.600 3.742 3.168 4.862 0.262 17 0 "[ . 1 . 2]" 1
1339 1 64 ASN H 1 64 ASN HA 2.500 . 3.100 2.828 2.799 2.895 . 0 0 "[ . 1 . 2]" 1
1340 1 64 ASN H 1 64 ASN HB2 2.600 . 3.500 2.124 2.068 2.196 . 0 0 "[ . 1 . 2]" 1
1341 1 64 ASN H 1 64 ASN HB3 2.600 . 3.400 3.443 3.378 3.487 0.087 17 0 "[ . 1 . 2]" 1
1342 1 64 ASN H 1 64 ASN HD22 3.200 . 4.400 4.174 3.995 4.393 . 0 0 "[ . 1 . 2]" 1
1343 1 64 ASN H 1 65 THR H 2.300 . 3.000 2.178 2.111 2.238 . 0 0 "[ . 1 . 2]" 1
1344 1 64 ASN H 1 65 THR HB 3.300 . 4.600 3.856 3.721 3.957 . 0 0 "[ . 1 . 2]" 1
1345 1 64 ASN HA 1 64 ASN HB2 2.300 . 3.000 2.944 2.911 2.964 . 0 0 "[ . 1 . 2]" 1
1346 1 64 ASN HA 1 64 ASN HB3 2.600 . 3.100 2.714 2.673 2.770 . 0 0 "[ . 1 . 2]" 1
1347 1 64 ASN HA 1 64 ASN HD21 2.600 . 3.400 3.431 3.301 3.462 0.062 19 0 "[ . 1 . 2]" 1
1348 1 64 ASN HA 1 64 ASN HD22 3.100 . 4.300 3.930 3.835 3.964 . 0 0 "[ . 1 . 2]" 1
1349 1 64 ASN HA 1 65 THR H 2.400 . 3.100 2.756 2.740 2.769 . 0 0 "[ . 1 . 2]" 1
1350 1 64 ASN HB2 1 64 ASN HD21 2.800 . 3.800 2.245 2.194 2.282 . 0 0 "[ . 1 . 2]" 1
1351 1 64 ASN HB2 1 65 THR H 3.200 . 4.500 2.921 2.777 3.136 . 0 0 "[ . 1 . 2]" 1
1352 1 64 ASN HB3 1 64 ASN HD21 2.800 . 3.800 3.467 3.432 3.489 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ASN HB3 1 65 THR H 3.200 . 4.400 3.221 2.964 3.427 . 0 0 "[ . 1 . 2]" 1
1354 1 64 ASN HD21 1 82 ALA H 3.200 . 4.400 3.808 3.739 3.861 . 0 0 "[ . 1 . 2]" 1
1355 1 64 ASN HD22 1 71 PRO HA 3.100 . 4.300 3.595 3.458 3.693 . 0 0 "[ . 1 . 2]" 1
1356 1 64 ASN HD22 1 72 THR H 2.600 . 3.400 2.346 2.251 2.485 . 0 0 "[ . 1 . 2]" 1
1357 1 64 ASN HD22 1 72 THR HA 2.800 . 3.800 3.292 3.249 3.333 . 0 0 "[ . 1 . 2]" 1
1358 1 64 ASN HD22 1 73 LEU HA 2.400 . 3.100 2.679 2.661 2.700 . 0 0 "[ . 1 . 2]" 1
1359 1 64 ASN HD22 1 73 LEU HB2 2.700 . 3.600 2.434 2.050 2.609 . 0 0 "[ . 1 . 2]" 1
1360 1 64 ASN HD22 1 73 LEU HG 3.200 . 4.500 2.640 2.190 4.470 . 0 0 "[ . 1 . 2]" 1
1361 1 64 ASN HD22 1 74 ILE H 3.100 . 4.300 3.119 2.991 3.255 . 0 0 "[ . 1 . 2]" 1
1362 1 65 THR H 1 65 THR HA 2.700 . 3.600 2.878 2.852 2.900 . 0 0 "[ . 1 . 2]" 1
1363 1 65 THR H 1 65 THR HB 3.000 . 4.200 3.596 3.572 3.617 . 0 0 "[ . 1 . 2]" 1
1364 1 65 THR H 1 66 GLY HA2 3.300 . 4.500 4.582 4.547 4.626 0.126 6 0 "[ . 1 . 2]" 1
1365 1 65 THR H 1 66 GLY HA3 3.400 . 4.800 4.961 4.933 5.006 0.206 6 0 "[ . 1 . 2]" 1
1366 1 65 THR H 1 67 LEU H 2.900 . 3.900 3.848 3.679 3.942 0.042 17 0 "[ . 1 . 2]" 1
1367 1 65 THR HA 1 65 THR HB 2.200 . 2.800 2.487 2.454 2.517 . 0 0 "[ . 1 . 2]" 1
1368 1 65 THR HA 1 66 GLY H 2.600 . 3.400 3.440 3.403 3.469 0.069 17 0 "[ . 1 . 2]" 1
1369 1 65 THR HA 1 67 LEU H 3.300 . 4.700 4.304 4.095 4.432 . 0 0 "[ . 1 . 2]" 1
1370 1 65 THR HA 1 67 LEU HG 3.200 . 4.500 3.918 3.725 4.075 . 0 0 "[ . 1 . 2]" 1
1371 1 65 THR HB 1 66 GLY H 2.400 . 3.100 2.808 2.792 2.822 . 0 0 "[ . 1 . 2]" 1
1372 1 65 THR HB 1 67 LEU H 2.900 . 3.900 3.271 3.004 3.441 . 0 0 "[ . 1 . 2]" 1
1373 1 65 THR HB 1 67 LEU QB 3.100 . 4.300 3.921 3.377 4.133 . 0 0 "[ . 1 . 2]" 1
1374 1 65 THR HB 1 67 LEU HG 2.600 . 3.500 2.040 1.900 2.152 . 0 0 "[ . 1 . 2]" 1
1375 1 66 GLY H 1 66 GLY HA2 2.400 . 3.100 2.313 2.297 2.340 . 0 0 "[ . 1 . 2]" 1
1376 1 66 GLY H 1 66 GLY HA3 2.500 . 3.300 2.881 2.850 2.906 . 0 0 "[ . 1 . 2]" 1
1377 1 66 GLY H 1 67 LEU H 2.600 . 3.400 2.403 2.241 2.491 . 0 0 "[ . 1 . 2]" 1
1378 1 66 GLY HA2 1 67 LEU H 3.000 . 4.000 3.174 3.130 3.237 . 0 0 "[ . 1 . 2]" 1
1379 1 66 GLY HA3 1 67 LEU H 3.000 . 4.100 3.294 3.231 3.352 . 0 0 "[ . 1 . 2]" 1
1380 1 67 LEU H 1 67 LEU HA 2.700 . 3.600 2.922 2.884 2.943 . 0 0 "[ . 1 . 2]" 1
1381 1 67 LEU H 1 67 LEU QB 2.700 . 3.600 2.787 2.488 2.969 . 0 0 "[ . 1 . 2]" 1
1382 1 67 LEU H 1 67 LEU HG 2.500 . 3.300 1.813 1.729 2.078 . 0 0 "[ . 1 . 2]" 1
1383 1 67 LEU H 1 68 ASP H 3.300 . 4.600 4.268 4.204 4.406 . 0 0 "[ . 1 . 2]" 1
1384 1 67 LEU HA 1 68 ASP H 2.300 . 2.900 2.723 2.518 2.805 . 0 0 "[ . 1 . 2]" 1
1385 1 67 LEU HA 1 68 ASP HA 3.200 . 4.500 4.510 4.459 4.540 0.040 8 0 "[ . 1 . 2]" 1
1386 1 67 LEU HA 1 68 ASP HB2 3.200 . 4.500 4.371 4.310 4.457 . 0 0 "[ . 1 . 2]" 1
1387 1 67 LEU HA 1 68 ASP HB3 3.100 . 4.300 4.584 4.547 4.623 0.323 9 0 "[ . 1 . 2]" 1
1388 1 67 LEU QB 1 68 ASP H 2.800 . 3.800 1.885 1.818 2.048 0.182 14 0 "[ . 1 . 2]" 1
1389 1 67 LEU HG 1 68 ASP H 3.600 . 5.200 4.389 4.277 4.644 . 0 0 "[ . 1 . 2]" 1
1390 1 68 ASP H 1 68 ASP HA 2.700 . 3.600 2.930 2.912 2.941 . 0 0 "[ . 1 . 2]" 1
1391 1 68 ASP H 1 68 ASP HB2 2.500 . 3.300 3.257 3.156 3.298 . 0 0 "[ . 1 . 2]" 1
1392 1 68 ASP H 1 68 ASP HB3 2.500 . 3.300 2.685 2.597 2.782 . 0 0 "[ . 1 . 2]" 1
1393 1 68 ASP H 1 69 LEU H 3.400 . 4.600 4.123 3.942 4.200 . 0 0 "[ . 1 . 2]" 1
1394 1 68 ASP HA 1 68 ASP HB2 2.300 . 3.000 2.408 2.390 2.423 . 0 0 "[ . 1 . 2]" 1
1395 1 68 ASP HA 1 68 ASP HB3 2.300 . 3.000 3.006 2.991 3.015 0.015 18 0 "[ . 1 . 2]" 1
1396 1 68 ASP HA 1 69 LEU H 2.200 . 2.800 2.065 2.004 2.103 . 0 0 "[ . 1 . 2]" 1
1397 1 68 ASP HB2 1 69 LEU H 3.000 . 4.100 4.137 4.096 4.202 0.102 3 0 "[ . 1 . 2]" 1
1398 1 68 ASP HB3 1 69 LEU H 3.000 . 4.000 4.189 4.157 4.259 0.259 3 0 "[ . 1 . 2]" 1
1399 1 68 ASP HB3 1 80 PRO HA 3.300 . 4.700 3.934 3.928 3.937 . 0 0 "[ . 1 . 2]" 1
1400 1 68 ASP HB3 1 80 PRO HG2 2.900 . 4.000 2.304 2.299 2.308 . 0 0 "[ . 1 . 2]" 1
1401 1 68 ASP HB3 1 80 PRO HG3 2.900 . 4.000 2.983 2.979 2.986 . 0 0 "[ . 1 . 2]" 1
1402 1 69 LEU H 1 69 LEU HB2 3.200 . 4.400 2.674 2.494 2.782 . 0 0 "[ . 1 . 2]" 1
1403 1 69 LEU H 1 69 LEU HB2 2.500 . 3.300 2.509 2.466 2.576 . 0 0 "[ . 1 . 2]" 1
1404 1 69 LEU H 1 69 LEU HB3 3.400 . 4.800 3.780 3.667 3.839 . 0 0 "[ . 1 . 2]" 1
1405 1 69 LEU H 1 69 LEU HG 3.100 . 4.300 3.298 2.874 4.431 0.131 3 0 "[ . 1 . 2]" 1
1406 1 70 PRO HB2 1 73 LEU H 3.200 . 4.500 3.415 3.271 3.484 . 0 0 "[ . 1 . 2]" 1
1407 1 70 PRO HB2 1 73 LEU H 2.400 . 3.100 3.074 2.607 3.158 0.058 5 0 "[ . 1 . 2]" 1
1408 1 70 PRO HB3 1 72 THR H 2.800 . 3.700 3.747 3.720 3.772 0.072 8 0 "[ . 1 . 2]" 1
1409 1 70 PRO HB3 1 73 LEU H 3.400 . 4.900 4.879 4.765 4.938 0.038 5 0 "[ . 1 . 2]" 1
1410 1 70 PRO HD2 1 73 LEU H 3.500 . 5.000 4.284 4.133 4.413 . 0 0 "[ . 1 . 2]" 1
1411 1 70 PRO HG2 1 72 THR H 3.200 . 4.400 3.113 2.966 3.408 . 0 0 "[ . 1 . 2]" 1
1412 1 70 PRO HG2 1 73 LEU H 3.200 . 4.500 2.551 2.494 2.606 . 0 0 "[ . 1 . 2]" 1
1413 1 70 PRO HG3 1 73 LEU H 3.000 . 4.100 4.219 4.186 4.256 0.156 10 0 "[ . 1 . 2]" 1
1414 1 71 PRO HB3 1 71 PRO HD3 2.800 . 3.600 3.026 2.977 3.079 . 0 0 "[ . 1 . 2]" 1
1415 1 71 PRO QD 1 72 THR H 2.800 . 3.800 2.756 2.624 2.905 . 0 0 "[ . 1 . 2]" 1
1416 1 72 THR HA 1 72 THR HB 2.700 . 3.600 2.559 2.533 2.611 . 0 0 "[ . 1 . 2]" 1
1417 1 72 THR HA 1 75 PHE HB2 3.100 . 4.300 2.843 2.771 2.897 . 0 0 "[ . 1 . 2]" 1
1418 1 72 THR HA 1 75 PHE HB3 3.200 . 4.500 4.472 4.394 4.531 0.031 8 0 "[ . 1 . 2]" 1
1419 1 72 THR HB 1 75 PHE HB2 3.000 . 4.100 2.895 2.790 2.980 . 0 0 "[ . 1 . 2]" 1
1420 1 72 THR HB 1 75 PHE HB3 3.000 . 4.100 4.159 4.052 4.201 0.101 12 0 "[ . 1 . 2]" 1
1421 1 73 LEU H 1 73 LEU HB3 2.700 . 3.600 3.518 2.730 3.618 0.018 5 0 "[ . 1 . 2]" 1
1422 1 73 LEU HA 1 73 LEU HB2 2.800 . 3.800 2.950 2.555 3.009 . 0 0 "[ . 1 . 2]" 1
1423 1 73 LEU HA 1 73 LEU HB3 2.800 . 3.800 2.612 2.504 2.994 . 0 0 "[ . 1 . 2]" 1
1424 1 73 LEU HA 1 73 LEU HG 3.000 . 4.100 3.023 2.931 3.077 . 0 0 "[ . 1 . 2]" 1
1425 1 74 ILE HA 1 77 HIS H 2.900 . 4.000 3.838 3.672 3.994 . 0 0 "[ . 1 . 2]" 1
1426 1 74 ILE HB 1 74 ILE HG12 2.600 . 3.400 2.418 2.390 2.439 . 0 0 "[ . 1 . 2]" 1
1427 1 75 PHE H 1 75 PHE HA 2.700 . 3.600 2.887 2.874 2.894 . 0 0 "[ . 1 . 2]" 1
1428 1 75 PHE H 1 75 PHE HB2 2.600 . 3.300 2.271 2.251 2.297 . 0 0 "[ . 1 . 2]" 1
1429 1 75 PHE H 1 75 PHE HB3 2.600 . 3.400 3.524 3.511 3.537 0.137 1 0 "[ . 1 . 2]" 1
1430 1 75 PHE HA 1 75 PHE HB2 2.400 . 3.100 3.008 3.004 3.014 . 0 0 "[ . 1 . 2]" 1
1431 1 75 PHE HB2 1 76 ASP H 2.700 . 3.600 2.853 2.748 2.921 . 0 0 "[ . 1 . 2]" 1
1432 1 75 PHE HB2 1 76 ASP HA 3.300 . 4.700 4.567 4.463 4.631 . 0 0 "[ . 1 . 2]" 1
1433 1 75 PHE HB2 1 88 HIS H 2.500 . 3.300 2.569 2.537 2.627 . 0 0 "[ . 1 . 2]" 1
1434 1 75 PHE HB2 1 88 HIS HA 2.500 . 3.300 2.495 2.468 2.520 . 0 0 "[ . 1 . 2]" 1
1435 1 75 PHE HB2 1 88 HIS HD2 3.100 . 4.300 3.188 3.133 3.288 . 0 0 "[ . 1 . 2]" 1
1436 1 75 PHE HB3 1 76 ASP H 2.700 . 3.600 3.691 3.581 3.751 0.151 2 0 "[ . 1 . 2]" 1
1437 1 75 PHE HB3 1 77 HIS H 2.600 . 3.500 3.794 3.765 3.823 0.323 11 0 "[ . 1 . 2]" 1
1438 1 76 ASP HA 1 76 ASP HB2 2.400 . 3.100 2.617 2.517 2.994 . 0 0 "[ . 1 . 2]" 1
1439 1 76 ASP HA 1 76 ASP HB3 2.300 . 3.000 2.954 2.603 3.021 0.021 8 0 "[ . 1 . 2]" 1
1440 1 76 ASP HA 1 77 HIS HD2 3.400 . 4.900 4.911 4.739 4.978 0.078 1 0 "[ . 1 . 2]" 1
1441 1 76 ASP HB3 1 77 HIS H 2.800 . 3.800 2.850 2.631 3.585 . 0 0 "[ . 1 . 2]" 1
1442 1 77 HIS H 1 78 PRO HD2 3.200 . 4.500 4.637 4.583 4.671 0.171 2 0 "[ . 1 . 2]" 1
1443 1 77 HIS H 1 78 PRO HD3 3.300 . 4.700 3.255 3.149 3.330 . 0 0 "[ . 1 . 2]" 1
1444 1 77 HIS HA 1 78 PRO HD2 2.800 . 3.800 2.760 2.685 2.871 . 0 0 "[ . 1 . 2]" 1
1445 1 77 HIS HA 1 78 PRO HD3 2.800 . 3.800 2.109 2.024 2.188 . 0 0 "[ . 1 . 2]" 1
1446 1 77 HIS HB2 1 83 LEU HA 2.700 . 3.600 3.544 3.294 3.703 0.103 1 0 "[ . 1 . 2]" 1
1447 1 77 HIS HB3 1 77 HIS HD2 3.000 . 4.200 3.905 3.879 3.938 . 0 0 "[ . 1 . 2]" 1
1448 1 77 HIS HB3 1 78 PRO HD2 3.600 . 5.200 4.585 4.450 4.762 . 0 0 "[ . 1 . 2]" 1
1449 1 77 HIS HB3 1 78 PRO HD3 3.500 . 5.000 4.386 4.305 4.456 . 0 0 "[ . 1 . 2]" 1
1450 1 77 HIS HB3 1 83 LEU HA 2.800 . 3.800 3.658 3.500 3.696 . 0 0 "[ . 1 . 2]" 1
1451 1 78 PRO HA 1 78 PRO HB2 2.600 . 3.400 2.744 2.712 2.785 . 0 0 "[ . 1 . 2]" 1
1452 1 78 PRO HA 1 78 PRO HB3 2.500 . 3.300 2.275 2.261 2.288 . 0 0 "[ . 1 . 2]" 1
1453 1 78 PRO HA 1 78 PRO HD2 3.600 . 5.200 3.866 3.820 3.904 . 0 0 "[ . 1 . 2]" 1
1454 1 78 PRO HA 1 78 PRO HD3 3.200 . 4.500 3.989 3.966 4.006 . 0 0 "[ . 1 . 2]" 1
1455 1 78 PRO HA 1 78 PRO HG2 3.100 . 4.300 4.053 4.020 4.082 . 0 0 "[ . 1 . 2]" 1
1456 1 78 PRO HA 1 78 PRO HG3 3.100 . 4.300 3.792 3.668 3.886 . 0 0 "[ . 1 . 2]" 1
1457 1 78 PRO HA 1 79 THR H 2.900 . 3.800 2.211 2.192 2.226 . 0 0 "[ . 1 . 2]" 1
1458 1 78 PRO QB 1 79 THR H 2.800 . 3.800 3.730 3.719 3.744 . 0 0 "[ . 1 . 2]" 1
1459 1 78 PRO HB2 1 78 PRO HD3 3.000 . 4.100 4.079 4.050 4.092 . 0 0 "[ . 1 . 2]" 1
1460 1 78 PRO HB2 1 79 THR H 3.600 . 5.200 4.073 4.057 4.085 . 0 0 "[ . 1 . 2]" 1
1461 1 78 PRO HB3 1 78 PRO HD3 2.900 . 4.000 3.736 3.615 3.873 . 0 0 "[ . 1 . 2]" 1
1462 1 78 PRO HB3 1 79 THR H 3.500 . 5.000 4.329 4.287 4.355 . 0 0 "[ . 1 . 2]" 1
1463 1 78 PRO HD2 1 79 THR H 3.300 . 4.600 4.526 4.487 4.570 . 0 0 "[ . 1 . 2]" 1
1464 1 78 PRO HD3 1 78 PRO HG2 2.500 . 3.300 2.777 2.728 2.816 . 0 0 "[ . 1 . 2]" 1
1465 1 78 PRO HD3 1 78 PRO HG3 2.600 . 3.500 2.286 2.271 2.309 . 0 0 "[ . 1 . 2]" 1
1466 1 79 THR H 1 79 THR HA 3.000 . 4.100 2.684 2.676 2.700 . 0 0 "[ . 1 . 2]" 1
1467 1 79 THR H 1 79 THR HA 2.600 . 3.400 2.647 2.639 2.661 . 0 0 "[ . 1 . 2]" 1
1468 1 79 THR H 1 82 ALA H 3.000 . 4.100 3.808 3.739 3.861 . 0 0 "[ . 1 . 2]" 1
1469 1 79 THR H 1 83 LEU H 3.200 . 4.200 3.595 3.499 3.713 . 0 0 "[ . 1 . 2]" 1
1470 1 79 THR HA 1 80 PRO HD2 2.600 . 3.400 2.906 2.849 2.960 . 0 0 "[ . 1 . 2]" 1
1471 1 79 THR HA 1 80 PRO HD3 2.600 . 3.400 2.282 2.233 2.325 . 0 0 "[ . 1 . 2]" 1
1472 1 79 THR HB 1 80 PRO HD2 2.700 . 3.600 2.410 2.287 2.555 . 0 0 "[ . 1 . 2]" 1
1473 1 79 THR HB 1 80 PRO HD3 2.700 . 3.600 3.418 3.281 3.544 . 0 0 "[ . 1 . 2]" 1
1474 1 79 THR HB 1 81 HIS H 2.800 . 3.800 2.392 2.287 2.470 . 0 0 "[ . 1 . 2]" 1
1475 1 79 THR HB 1 82 ALA H 3.300 . 4.700 2.858 2.734 2.954 . 0 0 "[ . 1 . 2]" 1
1476 1 81 HIS H 1 81 HIS HA 2.500 . 3.300 2.835 2.820 2.853 . 0 0 "[ . 1 . 2]" 1
1477 1 81 HIS H 1 81 HIS HB2 2.600 . 3.400 2.748 2.708 2.791 . 0 0 "[ . 1 . 2]" 1
1478 1 81 HIS H 1 81 HIS HB3 2.600 . 3.400 2.296 2.210 2.349 . 0 0 "[ . 1 . 2]" 1
1479 1 81 HIS H 1 81 HIS HD2 3.600 . 5.200 4.847 4.726 4.936 . 0 0 "[ . 1 . 2]" 1
1480 1 81 HIS H 1 82 ALA H 2.800 . 3.800 2.754 2.663 2.827 . 0 0 "[ . 1 . 2]" 1
1481 1 81 HIS HA 1 81 HIS HB2 2.700 . 3.600 2.350 2.321 2.369 . 0 0 "[ . 1 . 2]" 1
1482 1 81 HIS HA 1 81 HIS QB 2.400 . 3.100 2.271 2.246 2.286 . 0 0 "[ . 1 . 2]" 1
1483 1 81 HIS HA 1 81 HIS HB3 2.600 . 3.500 3.006 2.997 3.012 . 0 0 "[ . 1 . 2]" 1
1484 1 81 HIS HA 1 81 HIS HD2 3.600 . 4.700 4.641 4.487 4.727 0.027 3 0 "[ . 1 . 2]" 1
1485 1 81 HIS HA 1 82 ALA H 3.000 . 4.100 3.590 3.569 3.602 . 0 0 "[ . 1 . 2]" 1
1486 1 81 HIS HA 1 84 THR H 2.900 . 3.900 3.129 2.965 3.282 . 0 0 "[ . 1 . 2]" 1
1487 1 81 HIS HA 1 85 GLN HG2 3.300 . 4.600 4.621 3.892 4.744 0.144 20 0 "[ . 1 . 2]" 1
1488 1 81 HIS HA 1 85 GLN HG3 3.300 . 4.700 4.541 4.313 4.896 0.196 1 0 "[ . 1 . 2]" 1
1489 1 81 HIS QB 1 81 HIS HD2 2.800 . 3.800 2.688 2.658 2.762 . 0 0 "[ . 1 . 2]" 1
1490 1 81 HIS HB2 1 81 HIS HD2 3.300 . 4.600 3.816 3.772 3.893 . 0 0 "[ . 1 . 2]" 1
1491 1 81 HIS HB2 1 82 ALA H 2.900 . 4.000 4.043 4.008 4.073 0.073 3 0 "[ . 1 . 2]" 1
1492 1 81 HIS HB3 1 81 HIS HD2 3.200 . 4.500 2.747 2.717 2.825 . 0 0 "[ . 1 . 2]" 1
1493 1 81 HIS HB3 1 82 ALA H 2.900 . 4.000 2.716 2.654 2.771 . 0 0 "[ . 1 . 2]" 1
1494 1 81 HIS HD2 1 82 ALA H 3.300 . 4.700 3.591 3.270 3.858 . 0 0 "[ . 1 . 2]" 1
1495 1 81 HIS HD2 1 82 ALA HA 3.200 . 4.100 3.621 3.138 3.919 . 0 0 "[ . 1 . 2]" 1
1496 1 81 HIS HE1 1 85 GLN HG2 3.400 . 4.800 3.802 3.544 4.358 . 0 0 "[ . 1 . 2]" 1
1497 1 81 HIS HE1 1 85 GLN HG3 3.400 . 4.900 4.830 3.973 4.969 0.069 5 0 "[ . 1 . 2]" 1
1498 1 82 ALA H 1 82 ALA HA 2.500 . 3.300 2.794 2.783 2.807 . 0 0 "[ . 1 . 2]" 1
1499 1 82 ALA HA 1 85 GLN HG2 2.800 . 3.700 3.790 3.712 3.844 0.144 4 0 "[ . 1 . 2]" 1
1500 1 82 ALA HA 1 85 GLN HG3 2.800 . 3.800 2.296 2.119 3.135 . 0 0 "[ . 1 . 2]" 1
1501 1 83 LEU H 1 83 LEU HB2 2.400 . 3.100 2.319 2.283 2.350 . 0 0 "[ . 1 . 2]" 1
1502 1 83 LEU HA 1 86 HIS HB2 3.000 . 3.900 3.282 3.002 3.574 . 0 0 "[ . 1 . 2]" 1
1503 1 83 LEU HA 1 86 HIS HB3 2.900 . 4.000 2.422 2.278 2.586 . 0 0 "[ . 1 . 2]" 1
1504 1 83 LEU HA 1 86 HIS HD2 3.500 . 5.100 4.489 4.306 4.594 . 0 0 "[ . 1 . 2]" 1
1505 1 84 THR H 1 84 THR HA 2.500 . 3.300 2.798 2.784 2.810 . 0 0 "[ . 1 . 2]" 1
1506 1 84 THR H 1 84 THR HB 2.800 . 3.800 2.614 2.533 2.692 . 0 0 "[ . 1 . 2]" 1
1507 1 84 THR HA 1 84 THR HB 3.000 . 4.000 3.030 3.026 3.033 . 0 0 "[ . 1 . 2]" 1
1508 1 84 THR HA 1 85 GLN H 2.500 . 3.300 3.450 3.433 3.474 0.174 7 0 "[ . 1 . 2]" 1
1509 1 84 THR HB 1 85 GLN H 3.100 . 4.300 2.857 2.724 2.966 . 0 0 "[ . 1 . 2]" 1
1510 1 84 THR HB 1 85 GLN H 2.800 . 3.800 2.657 2.515 2.763 . 0 0 "[ . 1 . 2]" 1
1511 1 85 GLN H 1 85 GLN HB3 2.400 . 3.100 3.306 3.243 3.350 0.250 13 0 "[ . 1 . 2]" 1
1512 1 85 GLN HA 1 85 GLN HG2 2.400 . 3.100 2.837 2.736 2.998 . 0 0 "[ . 1 . 2]" 1
1513 1 85 GLN HA 1 88 HIS HB2 2.700 . 3.600 3.645 3.583 3.694 0.094 10 0 "[ . 1 . 2]" 1
1514 1 85 GLN HA 1 88 HIS HB3 2.500 . 3.300 2.899 2.732 3.005 . 0 0 "[ . 1 . 2]" 1
1515 1 86 HIS H 1 86 HIS HD2 3.600 . 5.200 5.168 5.033 5.206 0.006 3 0 "[ . 1 . 2]" 1
1516 1 86 HIS HA 1 86 HIS HB2 2.800 . 3.800 2.452 2.413 2.476 . 0 0 "[ . 1 . 2]" 1
1517 1 86 HIS HA 1 86 HIS HB3 2.600 . 3.500 3.024 3.019 3.027 . 0 0 "[ . 1 . 2]" 1
1518 1 86 HIS HA 1 86 HIS HD2 3.300 . 4.700 4.619 4.510 4.679 . 0 0 "[ . 1 . 2]" 1
1519 1 86 HIS HB2 1 86 HIS HD2 3.000 . 4.100 3.726 3.653 3.781 . 0 0 "[ . 1 . 2]" 1
1520 1 86 HIS HB3 1 86 HIS HD2 3.000 . 4.100 2.692 2.677 2.708 . 0 0 "[ . 1 . 2]" 1
1521 1 86 HIS HD2 1 87 LEU H 3.500 . 5.100 3.904 3.731 4.140 . 0 0 "[ . 1 . 2]" 1
1522 1 86 HIS HD2 1 87 LEU HA 3.300 . 4.700 3.955 3.692 4.252 . 0 0 "[ . 1 . 2]" 1
1523 1 86 HIS HE1 1 90 ARG HD2 3.300 . 4.300 4.152 2.531 4.303 0.003 18 0 "[ . 1 . 2]" 1
1524 1 86 HIS HE1 1 90 ARG HD3 3.000 . 4.100 2.827 2.511 4.238 0.138 12 0 "[ . 1 . 2]" 1
1525 1 86 HIS HE1 1 90 ARG QG 3.200 . 4.500 3.780 3.377 4.016 . 0 0 "[ . 1 . 2]" 1
1526 1 87 LEU H 1 87 LEU HB2 2.400 . 3.100 2.251 1.794 2.355 . 0 0 "[ . 1 . 2]" 1
1527 1 88 HIS HA 1 88 HIS HD2 2.600 . 3.400 2.538 2.431 2.655 . 0 0 "[ . 1 . 2]" 1
1528 1 88 HIS HA 1 89 THR H 3.300 . 4.700 3.511 3.476 3.548 . 0 0 "[ . 1 . 2]" 1
1529 1 88 HIS HA 1 91 LEU HB3 2.800 . 3.800 3.913 3.608 4.612 0.812 2 1 "[ + . 1 . 2]" 1
1530 1 88 HIS HB2 1 88 HIS HD2 3.200 . 4.500 3.188 3.133 3.288 . 0 0 "[ . 1 . 2]" 1
1531 1 88 HIS HB2 1 89 THR H 2.800 . 3.800 3.832 3.752 3.899 0.099 14 0 "[ . 1 . 2]" 1
1532 1 88 HIS HB3 1 88 HIS HD2 3.200 . 4.500 3.962 3.944 3.978 . 0 0 "[ . 1 . 2]" 1
1533 1 88 HIS HB3 1 89 THR H 2.700 . 3.600 2.602 2.460 2.738 . 0 0 "[ . 1 . 2]" 1
1534 1 90 ARG H 1 90 ARG HD2 3.100 . 4.300 3.634 3.254 4.345 0.045 12 0 "[ . 1 . 2]" 1
1535 1 90 ARG H 1 90 ARG HD3 3.000 . 4.100 4.231 4.071 4.349 0.249 3 0 "[ . 1 . 2]" 1
1536 1 90 ARG HA 1 90 ARG HD2 2.600 . 3.400 2.020 1.766 3.627 0.227 12 0 "[ . 1 . 2]" 1
1537 1 90 ARG HA 1 90 ARG HD3 2.500 . 3.300 3.436 2.484 3.566 0.266 16 0 "[ . 1 . 2]" 1
1538 1 90 ARG HA 1 93 GLN QG 2.900 . 3.900 3.826 2.647 4.056 0.156 10 0 "[ . 1 . 2]" 1
1539 1 90 ARG QB 1 91 LEU H 2.600 . 3.400 2.135 2.017 2.234 . 0 0 "[ . 1 . 2]" 1
1540 1 91 LEU H 1 91 LEU HB3 2.300 . 3.000 2.345 2.108 3.246 0.246 2 0 "[ . 1 . 2]" 1
1541 1 91 LEU H 1 92 THR H 2.700 . 3.400 2.636 2.439 2.770 . 0 0 "[ . 1 . 2]" 1
1542 1 91 LEU HA 1 91 LEU HG 2.700 . 3.600 3.024 2.827 3.653 0.053 14 0 "[ . 1 . 2]" 1
1543 1 92 THR H 1 93 GLN QG 2.300 . 3.000 2.376 2.140 2.800 . 0 0 "[ . 1 . 2]" 1
1544 1 93 GLN H 1 93 GLN HA 2.400 . 3.100 2.871 2.811 2.920 . 0 0 "[ . 1 . 2]" 1
1545 1 93 GLN H 1 93 GLN HB2 2.500 . 3.300 2.694 2.164 3.581 0.281 9 0 "[ . 1 . 2]" 1
1546 1 93 GLN H 1 93 GLN QB 2.400 . 3.100 2.252 2.094 2.451 . 0 0 "[ . 1 . 2]" 1
1547 1 93 GLN H 1 93 GLN HB3 2.500 . 3.300 3.071 2.117 3.590 0.290 10 0 "[ . 1 . 2]" 1
1548 1 93 GLN H 1 93 GLN QG 2.500 . 3.300 2.719 2.154 3.370 0.070 4 0 "[ . 1 . 2]" 1
1549 1 93 GLN HA 1 93 GLN HB2 2.200 . 2.800 2.730 2.220 3.002 0.202 1 0 "[ . 1 . 2]" 1
1550 1 93 GLN HA 1 93 GLN HB3 2.300 . 2.900 2.624 2.441 2.903 0.003 4 0 "[ . 1 . 2]" 1
1551 1 93 GLN HA 1 93 GLN QG 2.200 . 2.800 2.841 2.238 3.217 0.417 9 0 "[ . 1 . 2]" 1
1552 1 93 GLN HE22 1 93 GLN QG 2.800 . 3.800 3.320 3.210 3.491 . 0 0 "[ . 1 . 2]" 1
1553 1 94 SER HA 1 94 SER QB 1.800 . 2.200 2.249 2.161 2.341 0.141 10 0 "[ . 1 . 2]" 1
1554 1 94 SER HA 1 95 HIS H 2.200 . 2.800 2.370 2.129 2.878 0.078 10 0 "[ . 1 . 2]" 1
1555 1 94 SER QB 1 95 HIS H 2.800 . 3.800 3.472 1.814 3.966 0.166 15 0 "[ . 1 . 2]" 1
1556 1 95 HIS H 1 95 HIS HB3 2.700 . 3.600 2.975 2.508 3.761 0.161 19 0 "[ . 1 . 2]" 1
1557 1 95 HIS HA 1 95 HIS HB2 2.200 . 2.800 2.616 2.423 3.020 0.220 8 0 "[ . 1 . 2]" 1
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