NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
374647 |
1ehx   |
4589 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ehx
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 1423
_Distance_constraint_stats_list.Viol_count 3729
_Distance_constraint_stats_list.Viol_total 4106.718
_Distance_constraint_stats_list.Viol_max 0.445
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0551
_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 GLN 0.329 0.024 17 0 "[ . 1 . 2]"
1 3 ASP 1.342 0.181 5 0 "[ . 1 . 2]"
1 4 PRO 0.086 0.027 12 0 "[ . 1 . 2]"
1 5 THR 1.571 0.173 16 0 "[ . 1 . 2]"
1 6 ILE 1.471 0.160 17 0 "[ . 1 . 2]"
1 7 ASN 9.697 0.422 3 0 "[ . 1 . 2]"
1 8 PRO 8.394 0.422 3 0 "[ . 1 . 2]"
1 9 THR 0.758 0.101 2 0 "[ . 1 . 2]"
1 10 SER 1.338 0.101 2 0 "[ . 1 . 2]"
1 11 ILE 2.371 0.149 6 0 "[ . 1 . 2]"
1 12 SER 1.550 0.144 6 0 "[ . 1 . 2]"
1 13 ALA 3.344 0.144 6 0 "[ . 1 . 2]"
1 14 LYS 2.391 0.258 13 0 "[ . 1 . 2]"
1 15 ALA 6.758 0.221 6 0 "[ . 1 . 2]"
1 16 GLY 0.769 0.056 9 0 "[ . 1 . 2]"
1 17 SER 8.673 0.221 6 0 "[ . 1 . 2]"
1 18 PHE 7.148 0.269 13 0 "[ . 1 . 2]"
1 19 ALA 1.327 0.112 18 0 "[ . 1 . 2]"
1 20 ASP 0.764 0.046 13 0 "[ . 1 . 2]"
1 21 THR 4.689 0.235 12 0 "[ . 1 . 2]"
1 22 LYS 6.919 0.235 12 0 "[ . 1 . 2]"
1 23 ILE 6.110 0.174 17 0 "[ . 1 . 2]"
1 24 THR 1.222 0.123 16 0 "[ . 1 . 2]"
1 25 LEU 7.407 0.297 20 0 "[ . 1 . 2]"
1 26 THR 0.182 0.036 17 0 "[ . 1 . 2]"
1 27 PRO 4.904 0.252 8 0 "[ . 1 . 2]"
1 28 ASN 16.269 0.431 19 0 "[ . 1 . 2]"
1 29 GLY 10.544 0.431 19 0 "[ . 1 . 2]"
1 30 ASN 4.488 0.213 8 0 "[ . 1 . 2]"
1 31 THR 1.657 0.066 16 0 "[ . 1 . 2]"
1 32 PHE 3.015 0.101 2 0 "[ . 1 . 2]"
1 33 ASN 0.206 0.089 7 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 4.293 0.312 15 0 "[ . 1 . 2]"
1 36 SER 7.617 0.218 3 0 "[ . 1 . 2]"
1 37 GLU 4.274 0.445 8 0 "[ . 1 . 2]"
1 38 LEU 4.651 0.206 15 0 "[ . 1 . 2]"
1 39 GLN 12.320 0.425 16 0 "[ . 1 . 2]"
1 40 SER 12.104 0.425 16 0 "[ . 1 . 2]"
1 41 SER 4.928 0.274 8 0 "[ . 1 . 2]"
1 42 GLN 9.805 0.232 13 0 "[ . 1 . 2]"
1 43 TYR 7.245 0.219 8 0 "[ . 1 . 2]"
1 44 THR 6.743 0.219 8 0 "[ . 1 . 2]"
1 45 LYS 5.642 0.196 14 0 "[ . 1 . 2]"
1 46 GLY 0.813 0.054 3 0 "[ . 1 . 2]"
1 47 THR 1.550 0.116 12 0 "[ . 1 . 2]"
1 48 ASN 2.701 0.212 10 0 "[ . 1 . 2]"
1 49 GLU 3.637 0.149 12 0 "[ . 1 . 2]"
1 50 VAL 3.734 0.146 7 0 "[ . 1 . 2]"
1 51 THR 1.417 0.146 7 0 "[ . 1 . 2]"
1 52 LEU 8.978 0.334 13 0 "[ . 1 . 2]"
1 53 LEU 3.799 0.334 13 0 "[ . 1 . 2]"
1 54 ALA 1.014 0.070 16 0 "[ . 1 . 2]"
1 55 SER 1.322 0.118 16 0 "[ . 1 . 2]"
1 56 TYR 3.875 0.115 11 0 "[ . 1 . 2]"
1 57 LEU 4.946 0.112 18 0 "[ . 1 . 2]"
1 58 ASN 3.357 0.118 16 0 "[ . 1 . 2]"
1 59 THR 1.157 0.107 15 0 "[ . 1 . 2]"
1 60 LEU 5.641 0.239 3 0 "[ . 1 . 2]"
1 61 PRO 0.235 0.055 15 0 "[ . 1 . 2]"
1 62 GLU 5.588 0.185 11 0 "[ . 1 . 2]"
1 63 ASN 7.507 0.228 8 0 "[ . 1 . 2]"
1 64 THR 2.581 0.185 11 0 "[ . 1 . 2]"
1 65 THR 3.342 0.242 4 0 "[ . 1 . 2]"
1 66 LYS 7.123 0.242 4 0 "[ . 1 . 2]"
1 67 THR 2.762 0.231 1 0 "[ . 1 . 2]"
1 68 LEU 4.393 0.231 1 0 "[ . 1 . 2]"
1 69 THR 2.387 0.120 9 0 "[ . 1 . 2]"
1 70 PHE 4.477 0.129 2 0 "[ . 1 . 2]"
1 71 ASP 4.133 0.151 8 0 "[ . 1 . 2]"
1 72 PHE 5.087 0.151 8 0 "[ . 1 . 2]"
1 73 GLY 1.218 0.086 20 0 "[ . 1 . 2]"
1 74 VAL 0.474 0.057 19 0 "[ . 1 . 2]"
1 75 GLY 2.355 0.128 19 0 "[ . 1 . 2]"
1 76 THR 2.628 0.128 19 0 "[ . 1 . 2]"
1 77 LYS 2.823 0.118 11 0 "[ . 1 . 2]"
1 78 ASN 2.236 0.217 15 0 "[ . 1 . 2]"
1 79 PRO 2.392 0.157 9 0 "[ . 1 . 2]"
1 80 LYS 0.656 0.065 4 0 "[ . 1 . 2]"
1 81 LEU 4.678 0.200 7 0 "[ . 1 . 2]"
1 82 THR 0.977 0.100 13 0 "[ . 1 . 2]"
1 83 ILE 2.008 0.219 17 0 "[ . 1 . 2]"
1 84 THR 1.439 0.090 8 0 "[ . 1 . 2]"
1 85 VAL 1.968 0.200 6 0 "[ . 1 . 2]"
1 86 LEU 1.219 0.133 8 0 "[ . 1 . 2]"
1 87 PRO 1.389 0.173 9 0 "[ . 1 . 2]"
1 88 LYS 3.654 0.202 4 0 "[ . 1 . 2]"
1 89 ASP 1.457 0.096 1 0 "[ . 1 . 2]"
1 90 ILE 1.093 0.222 1 0 "[ . 1 . 2]"
1 91 PRO 0.653 0.222 1 0 "[ . 1 . 2]"
1 92 GLY 0.002 0.001 6 0 "[ . 1 . 2]"
1 93 LEU 0.053 0.028 17 0 "[ . 1 . 2]"
1 94 GLU 0.047 0.028 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HB3 1 3 ASP H 4.600 . 4.600 2.500 1.862 3.029 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HB3 1 72 PHE CG 7.500 . 7.500 6.634 6.205 7.219 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HB3 1 72 PHE CZ 7.800 . 7.800 7.809 7.800 7.821 0.021 14 0 "[ . 1 . 2]" 1
4 1 2 GLN HB2 1 3 ASP H 4.600 . 4.600 3.234 2.269 3.648 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HB2 1 72 PHE CG 7.500 . 7.500 6.124 5.618 6.730 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HB2 1 72 PHE CZ 7.800 . 7.800 7.747 7.174 7.824 0.024 17 0 "[ . 1 . 2]" 1
7 1 2 GLN QB 1 3 ASP H 4.300 . 4.300 2.408 1.781 2.862 0.019 11 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 30 ASN H 6.200 . 6.200 4.495 3.657 5.391 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLN QB 1 72 PHE CG 7.200 . 7.200 5.646 5.311 6.187 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN QB 1 72 PHE CZ 7.600 . 7.600 6.926 6.631 6.968 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLN QG 1 72 PHE CG 8.400 . 8.400 6.558 5.831 7.084 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP H 1 3 ASP HB3 3.800 . 3.800 3.271 2.457 3.626 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASP H 1 3 ASP HB2 3.800 . 3.800 3.097 2.462 3.801 0.001 7 0 "[ . 1 . 2]" 1
14 1 3 ASP H 1 3 ASP QB 3.400 . 3.400 2.734 2.375 3.230 . 0 0 "[ . 1 . 2]" 1
15 1 3 ASP H 1 4 PRO HA 5.600 . 5.600 4.515 4.148 4.735 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP H 1 4 PRO QG 5.900 . 5.900 4.643 3.827 5.240 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASP H 1 28 ASN QB 6.900 . 6.900 5.979 4.918 6.903 0.003 6 0 "[ . 1 . 2]" 1
18 1 3 ASP H 1 30 ASN HA 5.200 . 5.200 4.901 4.641 5.204 0.004 9 0 "[ . 1 . 2]" 1
19 1 3 ASP H 1 30 ASN HB3 5.000 . 5.000 4.117 3.241 4.405 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASP H 1 30 ASN HB2 5.000 . 5.000 4.907 4.145 5.018 0.018 2 0 "[ . 1 . 2]" 1
21 1 3 ASP H 1 30 ASN QB 4.800 . 4.800 3.913 3.132 4.137 . 0 0 "[ . 1 . 2]" 1
22 1 3 ASP H 1 74 VAL QG 6.000 . 6.000 4.467 3.671 5.783 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASP HA 1 3 ASP HB3 2.800 . 2.800 2.694 2.346 2.981 0.181 5 0 "[ . 1 . 2]" 1
24 1 3 ASP HA 1 3 ASP HB2 2.800 . 2.800 2.684 2.357 2.842 0.042 14 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 5 THR H 2.500 . 2.500 2.247 2.168 2.382 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HA 1 30 ASN H 5.800 . 5.800 4.268 4.134 4.542 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HA 1 30 ASN HD21 6.200 . 6.200 2.396 2.192 2.622 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO HA 1 30 ASN HD22 6.200 . 6.200 2.153 1.867 2.486 . 0 0 "[ . 1 . 2]" 1
29 1 4 PRO HA 1 72 PHE CZ 7.000 . 7.000 4.888 3.995 5.332 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HB3 1 72 PHE CG 6.900 . 6.900 3.332 2.449 4.217 . 0 0 "[ . 1 . 2]" 1
31 1 4 PRO HB3 1 72 PHE CZ 6.700 . 6.700 3.701 2.826 4.049 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO HB2 1 72 PHE CG 6.900 . 6.900 3.669 2.867 4.666 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HB2 1 72 PHE CZ 6.700 . 6.700 3.706 3.156 5.378 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO QB 1 5 THR HG1 7.900 . 7.900 4.681 4.380 5.198 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO QB 1 70 PHE CG 7.900 . 7.900 7.211 6.659 7.927 0.027 12 0 "[ . 1 . 2]" 1
36 1 4 PRO QB 1 72 PHE HZ 4.700 . 4.700 3.790 3.270 4.452 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO QG 1 5 THR H 5.200 . 5.200 4.486 4.157 4.844 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO QG 1 30 ASN H 6.900 . 6.900 5.955 4.963 6.603 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO QG 1 72 PHE CG 7.900 . 7.900 3.532 2.582 4.098 . 0 0 "[ . 1 . 2]" 1
40 1 4 PRO QG 1 72 PHE CZ 7.900 . 7.900 4.813 3.959 5.233 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO QG 1 72 PHE HZ 5.900 . 5.900 5.511 4.688 5.909 0.009 18 0 "[ . 1 . 2]" 1
42 1 4 PRO QD 1 72 PHE CG 7.200 . 7.200 5.222 4.246 6.005 . 0 0 "[ . 1 . 2]" 1
43 1 4 PRO QD 1 78 ASN HA 5.900 . 5.900 4.883 2.723 5.913 0.013 17 0 "[ . 1 . 2]" 1
44 1 5 THR H 1 5 THR HA 2.900 . 2.900 2.939 2.922 2.947 0.047 11 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 5 THR HB 3.200 . 3.200 2.841 2.342 3.373 0.173 16 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 6 ILE H 5.500 . 5.500 4.237 3.492 4.577 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR H 1 26 THR H 4.400 . 4.400 3.511 3.033 4.308 . 0 0 "[ . 1 . 2]" 1
48 1 5 THR H 1 26 THR HG1 6.000 . 6.000 3.123 2.625 3.705 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR H 1 27 PRO QD 7.400 . 7.400 5.109 4.982 5.373 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR H 1 28 ASN HB3 5.500 . 5.500 5.511 5.501 5.538 0.038 7 0 "[ . 1 . 2]" 1
51 1 5 THR H 1 28 ASN HB2 5.500 . 5.500 5.019 4.732 5.501 0.001 14 0 "[ . 1 . 2]" 1
52 1 5 THR H 1 30 ASN H 7.400 . 7.400 5.833 5.298 6.134 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR HA 1 6 ILE H 3.600 . 3.600 2.259 2.113 2.555 . 0 0 "[ . 1 . 2]" 1
54 1 5 THR HA 1 7 ASN H 7.100 . 7.100 6.363 6.216 6.522 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR HB 1 6 ILE H 4.400 . 4.400 3.988 2.902 4.443 0.043 6 0 "[ . 1 . 2]" 1
56 1 5 THR HG1 1 6 ILE H 4.200 . 4.200 2.725 1.968 3.499 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR HG1 1 6 ILE HA 6.000 . 6.000 3.823 2.990 4.594 . 0 0 "[ . 1 . 2]" 1
58 1 5 THR HG1 1 6 ILE HB 5.700 . 5.700 5.153 4.305 5.714 0.014 11 0 "[ . 1 . 2]" 1
59 1 5 THR HG1 1 7 ASN H 6.400 . 6.400 5.221 4.286 5.830 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR HG1 1 26 THR H 6.000 . 6.000 3.876 1.964 4.804 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR HG1 1 30 ASN HD21 6.900 . 6.900 5.494 3.500 6.331 . 0 0 "[ . 1 . 2]" 1
62 1 5 THR HG1 1 30 ASN HD22 6.900 . 6.900 4.847 3.022 6.161 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR HG1 1 79 PRO HB3 6.700 . 6.700 5.524 4.169 6.144 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR HG1 1 79 PRO HB2 6.700 . 6.700 6.425 5.392 6.753 0.053 4 0 "[ . 1 . 2]" 1
65 1 5 THR HG1 1 79 PRO QB 6.500 . 6.500 5.215 4.037 5.699 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE H 1 6 ILE HB 3.800 . 3.800 3.542 2.758 3.960 0.160 17 0 "[ . 1 . 2]" 1
67 1 6 ILE H 1 6 ILE MD 5.300 . 5.300 4.148 2.017 4.914 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE H 1 7 ASN H 5.000 . 5.000 4.369 4.248 4.521 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE HA 1 6 ILE HB 2.500 . 2.500 2.384 2.200 2.532 0.032 8 0 "[ . 1 . 2]" 1
70 1 6 ILE HA 1 7 ASN H 2.700 . 2.700 2.442 2.202 2.687 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE HA 1 7 ASN QB 5.700 . 5.700 4.712 4.167 5.023 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE HA 1 23 ILE MD 6.200 . 6.200 5.652 4.670 6.219 0.019 4 0 "[ . 1 . 2]" 1
73 1 6 ILE HA 1 24 THR H 5.200 . 5.200 4.623 3.949 5.036 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE HA 1 25 LEU QD 7.600 . 7.600 3.833 2.840 5.318 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE HA 1 26 THR H 3.700 . 3.700 2.920 2.214 3.627 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE HB 1 7 ASN H 4.500 . 4.500 3.099 1.900 4.047 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE HB 1 23 ILE MD 5.900 . 5.900 5.099 4.382 5.914 0.014 10 0 "[ . 1 . 2]" 1
78 1 6 ILE HB 1 25 LEU QD 5.900 . 5.900 2.654 1.800 4.161 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE QG 1 7 ASN H 5.600 . 5.600 2.218 1.779 2.997 0.021 5 0 "[ . 1 . 2]" 1
80 1 6 ILE QG 1 25 LEU QD 7.600 . 7.600 2.628 1.779 4.039 0.021 11 0 "[ . 1 . 2]" 1
81 1 6 ILE QG 1 79 PRO HB3 7.000 . 7.000 2.167 1.768 3.589 0.032 10 0 "[ . 1 . 2]" 1
82 1 6 ILE QG 1 79 PRO HB2 7.000 . 7.000 2.086 1.795 2.933 0.005 2 0 "[ . 1 . 2]" 1
83 1 6 ILE QG 1 79 PRO QD 7.900 . 7.900 3.724 3.210 4.077 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE QG 1 23 ILE MD 5.800 . 5.800 3.664 2.385 5.252 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MD 1 7 ASN H 5.500 . 5.500 2.933 1.829 3.742 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 23 ILE MD 4.800 . 4.800 3.129 1.799 4.885 0.085 6 0 "[ . 1 . 2]" 1
87 1 6 ILE MD 1 24 THR H 6.000 . 6.000 4.666 2.895 5.940 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE MD 1 25 LEU QB 6.000 . 6.000 4.294 3.394 5.564 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE MD 1 25 LEU HG 4.200 . 4.200 2.832 1.786 4.235 0.035 6 0 "[ . 1 . 2]" 1
90 1 6 ILE MD 1 25 LEU QD 6.300 . 6.300 2.437 1.786 3.920 0.014 14 0 "[ . 1 . 2]" 1
91 1 6 ILE MD 1 70 PHE H 6.400 . 6.400 4.493 3.481 6.022 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE MD 1 70 PHE CG 8.000 . 8.000 3.483 2.452 4.931 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE MD 1 70 PHE CZ 8.000 . 8.000 3.520 2.903 5.540 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MD 1 70 PHE HZ 6.000 . 6.000 3.877 3.150 6.000 0.000 6 0 "[ . 1 . 2]" 1
95 1 6 ILE MD 1 79 PRO HA 7.000 . 7.000 4.329 3.198 5.646 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE MD 1 79 PRO QB 5.100 . 5.100 2.111 1.698 3.287 0.102 6 0 "[ . 1 . 2]" 1
97 1 6 ILE MD 1 81 LEU H 6.800 . 6.800 4.994 3.733 6.318 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE MD 1 81 LEU HA 6.900 . 6.900 5.637 4.923 6.900 0.000 18 0 "[ . 1 . 2]" 1
99 1 6 ILE MD 1 81 LEU QD 8.000 . 8.000 3.417 1.781 4.801 0.019 10 0 "[ . 1 . 2]" 1
100 1 7 ASN H 1 7 ASN HA 2.900 . 2.900 2.752 2.682 2.832 . 0 0 "[ . 1 . 2]" 1
101 1 7 ASN H 1 7 ASN QB 3.700 . 3.700 2.646 2.232 3.003 . 0 0 "[ . 1 . 2]" 1
102 1 7 ASN H 1 23 ILE QG 4.400 . 4.400 2.856 2.053 3.450 . 0 0 "[ . 1 . 2]" 1
103 1 7 ASN H 1 24 THR H 3.400 . 3.400 3.359 2.755 3.523 0.123 16 0 "[ . 1 . 2]" 1
104 1 7 ASN H 1 24 THR HB 5.200 . 5.200 4.502 3.924 5.266 0.066 20 0 "[ . 1 . 2]" 1
105 1 7 ASN H 1 26 THR H 5.800 . 5.800 4.974 4.515 5.411 . 0 0 "[ . 1 . 2]" 1
106 1 7 ASN HA 1 8 PRO HA 4.200 . 4.200 4.346 4.321 4.378 0.178 3 0 "[ . 1 . 2]" 1
107 1 7 ASN HA 1 8 PRO HB3 5.800 . 5.800 5.336 4.967 5.743 . 0 0 "[ . 1 . 2]" 1
108 1 7 ASN HA 1 8 PRO HB2 5.800 . 5.800 5.810 5.231 6.222 0.422 3 0 "[ . 1 . 2]" 1
109 1 7 ASN HA 1 8 PRO QB 5.200 . 5.200 4.887 4.701 5.086 . 0 0 "[ . 1 . 2]" 1
110 1 7 ASN HA 1 9 THR H 7.000 . 7.000 6.690 6.477 6.884 . 0 0 "[ . 1 . 2]" 1
111 1 7 ASN HA 1 79 PRO QB 6.400 . 6.400 6.344 5.931 6.557 0.157 9 0 "[ . 1 . 2]" 1
112 1 7 ASN QB 1 24 THR H 6.300 . 6.300 3.189 1.833 3.833 . 0 0 "[ . 1 . 2]" 1
113 1 7 ASN HD21 1 8 PRO HA 7.100 . 7.100 5.714 4.421 6.884 . 0 0 "[ . 1 . 2]" 1
114 1 7 ASN HD21 1 25 LEU HA 5.600 . 5.600 4.926 4.161 5.655 0.055 12 0 "[ . 1 . 2]" 1
115 1 7 ASN HD21 1 25 LEU HG 5.200 . 5.200 4.806 3.469 5.272 0.072 16 0 "[ . 1 . 2]" 1
116 1 7 ASN HD21 1 50 VAL QG 8.300 . 8.300 5.039 3.172 6.686 . 0 0 "[ . 1 . 2]" 1
117 1 7 ASN HD22 1 8 PRO HA 7.100 . 7.100 6.594 5.865 7.167 0.067 19 0 "[ . 1 . 2]" 1
118 1 7 ASN HD22 1 25 LEU HA 5.600 . 5.600 5.209 4.427 5.644 0.044 10 0 "[ . 1 . 2]" 1
119 1 7 ASN HD22 1 25 LEU HG 5.200 . 5.200 4.657 4.096 5.215 0.015 1 0 "[ . 1 . 2]" 1
120 1 7 ASN HD22 1 50 VAL QG 8.300 . 8.300 4.441 3.498 5.655 . 0 0 "[ . 1 . 2]" 1
121 1 7 ASN QD 1 8 PRO HA 6.800 . 6.800 5.322 4.299 6.225 . 0 0 "[ . 1 . 2]" 1
122 1 7 ASN QD 1 25 LEU HA 5.400 . 5.400 4.405 4.017 4.960 . 0 0 "[ . 1 . 2]" 1
123 1 7 ASN QD 1 25 LEU HG 4.800 . 4.800 4.144 3.292 4.439 . 0 0 "[ . 1 . 2]" 1
124 1 7 ASN QD 1 50 VAL HB 7.400 . 7.400 5.788 4.501 7.405 0.005 2 0 "[ . 1 . 2]" 1
125 1 7 ASN QD 1 50 VAL QG 7.200 . 7.200 4.119 2.947 5.369 . 0 0 "[ . 1 . 2]" 1
126 1 7 ASN QD 1 81 LEU H 7.200 . 7.200 6.105 4.781 7.246 0.046 3 0 "[ . 1 . 2]" 1
127 1 8 PRO HA 1 9 THR H 3.100 . 3.100 2.722 2.461 2.901 . 0 0 "[ . 1 . 2]" 1
128 1 8 PRO HA 1 10 SER H 4.500 . 4.500 4.353 4.075 4.536 0.036 13 0 "[ . 1 . 2]" 1
129 1 8 PRO HB3 1 9 THR H 3.800 . 3.800 2.920 2.322 3.456 . 0 0 "[ . 1 . 2]" 1
130 1 8 PRO HB3 1 10 SER H 4.100 . 4.100 3.771 3.065 4.157 0.057 7 0 "[ . 1 . 2]" 1
131 1 8 PRO HB2 1 9 THR H 3.800 . 3.800 2.169 1.811 3.177 . 0 0 "[ . 1 . 2]" 1
132 1 8 PRO HB2 1 10 SER H 4.100 . 4.100 2.518 2.247 2.962 . 0 0 "[ . 1 . 2]" 1
133 1 8 PRO QB 1 9 THR H 3.500 . 3.500 2.055 1.796 2.537 0.004 15 0 "[ . 1 . 2]" 1
134 1 8 PRO QB 1 10 SER H 3.900 . 3.900 2.466 2.234 2.787 . 0 0 "[ . 1 . 2]" 1
135 1 8 PRO HD3 1 23 ILE HG13 6.800 . 6.800 5.647 3.775 6.861 0.061 17 0 "[ . 1 . 2]" 1
136 1 8 PRO HD3 1 23 ILE HG12 6.800 . 6.800 4.353 2.612 6.803 0.003 11 0 "[ . 1 . 2]" 1
137 1 8 PRO HD3 1 79 PRO HB3 8.200 . 8.200 8.143 7.638 8.284 0.084 4 0 "[ . 1 . 2]" 1
138 1 8 PRO HD3 1 79 PRO HB2 8.200 . 8.200 7.810 7.057 8.279 0.079 19 0 "[ . 1 . 2]" 1
139 1 8 PRO HD2 1 23 ILE HG13 6.800 . 6.800 5.141 3.868 6.051 . 0 0 "[ . 1 . 2]" 1
140 1 8 PRO HD2 1 23 ILE HG12 6.800 . 6.800 4.052 2.834 6.317 . 0 0 "[ . 1 . 2]" 1
141 1 8 PRO HD2 1 79 PRO HB3 8.200 . 8.200 7.511 6.519 8.225 0.025 13 0 "[ . 1 . 2]" 1
142 1 8 PRO HD2 1 79 PRO HB2 8.200 . 8.200 6.946 5.703 7.965 . 0 0 "[ . 1 . 2]" 1
143 1 8 PRO QD 1 9 THR H 5.300 . 5.300 4.507 4.312 4.948 . 0 0 "[ . 1 . 2]" 1
144 1 8 PRO QD 1 10 SER H 5.900 . 5.900 5.083 4.795 5.447 . 0 0 "[ . 1 . 2]" 1
145 1 8 PRO QD 1 23 ILE QG 5.300 . 5.300 3.241 2.397 4.079 . 0 0 "[ . 1 . 2]" 1
146 1 8 PRO QD 1 23 ILE MD 7.900 . 7.900 3.119 1.840 4.511 . 0 0 "[ . 1 . 2]" 1
147 1 8 PRO QD 1 24 THR H 6.800 . 6.800 4.734 3.849 5.626 . 0 0 "[ . 1 . 2]" 1
148 1 8 PRO QD 1 79 PRO QB 7.300 . 7.300 5.920 5.170 6.434 . 0 0 "[ . 1 . 2]" 1
149 1 9 THR H 1 9 THR HA 2.900 . 2.900 2.913 2.895 2.935 0.035 1 0 "[ . 1 . 2]" 1
150 1 9 THR H 1 9 THR HB 3.100 . 3.100 2.869 2.728 3.140 0.040 4 0 "[ . 1 . 2]" 1
151 1 9 THR H 1 10 SER H 2.600 . 2.600 1.848 1.774 2.211 0.026 10 0 "[ . 1 . 2]" 1
152 1 9 THR HA 1 10 SER H 3.300 . 3.300 3.250 3.137 3.401 0.101 2 0 "[ . 1 . 2]" 1
153 1 9 THR HB 1 10 SER H 3.800 . 3.800 3.712 3.546 3.834 0.034 12 0 "[ . 1 . 2]" 1
154 1 9 THR HG1 1 10 SER H 6.000 . 6.000 3.880 2.654 4.177 . 0 0 "[ . 1 . 2]" 1
155 1 10 SER H 1 10 SER QB 3.900 . 3.900 2.985 2.519 3.424 . 0 0 "[ . 1 . 2]" 1
156 1 10 SER H 1 11 ILE H 4.200 . 4.200 4.199 3.970 4.279 0.079 4 0 "[ . 1 . 2]" 1
157 1 10 SER H 1 11 ILE MD 6.900 . 6.900 5.676 4.461 6.299 . 0 0 "[ . 1 . 2]" 1
158 1 10 SER H 1 81 LEU QD 8.100 . 8.100 3.151 1.871 4.310 . 0 0 "[ . 1 . 2]" 1
159 1 10 SER HA 1 11 ILE H 2.400 . 2.400 2.151 2.110 2.218 . 0 0 "[ . 1 . 2]" 1
160 1 10 SER HA 1 81 LEU HA 4.800 . 4.800 4.149 3.147 4.810 0.010 6 0 "[ . 1 . 2]" 1
161 1 10 SER HA 1 81 LEU QD 8.000 . 8.000 3.405 2.264 4.862 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER HA 1 82 THR H 3.100 . 3.100 2.659 1.878 3.105 0.005 15 0 "[ . 1 . 2]" 1
163 1 10 SER QB 1 11 ILE H 4.100 . 4.100 3.248 2.881 3.686 . 0 0 "[ . 1 . 2]" 1
164 1 10 SER QB 1 82 THR H 5.800 . 5.800 4.047 2.803 4.938 . 0 0 "[ . 1 . 2]" 1
165 1 11 ILE H 1 11 ILE HB 3.800 . 3.800 3.748 3.329 3.949 0.149 6 0 "[ . 1 . 2]" 1
166 1 11 ILE H 1 11 ILE HG13 5.000 . 5.000 3.869 2.088 4.794 . 0 0 "[ . 1 . 2]" 1
167 1 11 ILE H 1 11 ILE HG12 5.000 . 5.000 3.640 2.324 5.022 0.022 5 0 "[ . 1 . 2]" 1
168 1 11 ILE H 1 11 ILE QG 4.300 . 4.300 2.291 2.037 2.575 . 0 0 "[ . 1 . 2]" 1
169 1 11 ILE H 1 11 ILE MD 5.800 . 5.800 4.413 3.444 4.980 . 0 0 "[ . 1 . 2]" 1
170 1 11 ILE H 1 12 SER H 5.000 . 5.000 4.331 4.153 4.435 . 0 0 "[ . 1 . 2]" 1
171 1 11 ILE H 1 81 LEU QD . . 5.200 3.841 3.002 5.235 0.035 10 0 "[ . 1 . 2]" 1
172 1 11 ILE H 1 82 THR H 4.500 . 4.500 4.138 3.435 4.563 0.063 12 0 "[ . 1 . 2]" 1
173 1 11 ILE H 1 82 THR HB 6.000 . 6.000 4.434 2.746 5.813 . 0 0 "[ . 1 . 2]" 1
174 1 11 ILE H 1 82 THR HG1 6.400 . 6.400 3.671 2.515 4.712 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE H 1 83 ILE HA 5.300 . 5.300 2.956 2.371 3.643 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 83 ILE MD 6.000 . 6.000 5.056 3.221 6.018 0.018 17 0 "[ . 1 . 2]" 1
177 1 11 ILE H 1 84 THR H 6.600 . 6.600 3.816 3.473 4.326 . 0 0 "[ . 1 . 2]" 1
178 1 11 ILE HA 1 11 ILE HB 2.800 . 2.800 2.410 2.238 2.591 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HA 1 12 SER H 2.500 . 2.500 2.375 2.187 2.536 0.036 11 0 "[ . 1 . 2]" 1
180 1 11 ILE HB 1 11 ILE MD 3.500 . 3.500 2.365 2.006 2.608 . 0 0 "[ . 1 . 2]" 1
181 1 11 ILE HB 1 12 SER H 3.900 . 3.900 3.132 2.136 3.937 0.037 4 0 "[ . 1 . 2]" 1
182 1 11 ILE HB 1 18 PHE CG 7.700 . 7.700 7.551 7.075 7.748 0.048 9 0 "[ . 1 . 2]" 1
183 1 11 ILE HB 1 18 PHE CZ 7.000 . 7.000 6.519 5.498 7.019 0.019 10 0 "[ . 1 . 2]" 1
184 1 11 ILE QG 1 83 ILE MD 6.800 . 6.800 2.303 1.788 3.037 0.012 10 0 "[ . 1 . 2]" 1
185 1 11 ILE HG13 1 13 ALA MB 6.000 . 6.000 4.247 3.446 6.017 0.017 6 0 "[ . 1 . 2]" 1
186 1 11 ILE HG12 1 13 ALA MB 6.000 . 6.000 4.779 3.152 6.034 0.034 6 0 "[ . 1 . 2]" 1
187 1 11 ILE QG 1 12 SER H 6.000 . 6.000 2.594 1.858 3.699 . 0 0 "[ . 1 . 2]" 1
188 1 11 ILE QG 1 18 PHE CG 7.200 . 7.200 5.287 4.332 6.802 . 0 0 "[ . 1 . 2]" 1
189 1 11 ILE QG 1 18 PHE CZ 7.200 . 7.200 4.258 3.494 5.753 . 0 0 "[ . 1 . 2]" 1
190 1 11 ILE QG 1 18 PHE HZ 6.700 . 6.700 4.140 3.335 5.510 . 0 0 "[ . 1 . 2]" 1
191 1 11 ILE QG 1 21 THR HG1 4.900 . 4.900 4.235 2.962 4.904 0.004 9 0 "[ . 1 . 2]" 1
192 1 11 ILE MD 1 12 SER H 5.200 . 5.200 3.803 2.283 4.520 . 0 0 "[ . 1 . 2]" 1
193 1 11 ILE MD 1 18 PHE CG 8.000 . 8.000 4.759 3.684 5.920 . 0 0 "[ . 1 . 2]" 1
194 1 11 ILE MD 1 18 PHE CZ 7.500 . 7.500 4.463 3.431 5.423 . 0 0 "[ . 1 . 2]" 1
195 1 11 ILE MD 1 18 PHE HZ 5.500 . 5.500 4.678 3.281 5.505 0.005 11 0 "[ . 1 . 2]" 1
196 1 11 ILE MD 1 21 THR HG1 4.000 . 4.000 3.525 2.425 4.028 0.028 3 0 "[ . 1 . 2]" 1
197 1 11 ILE MD 1 83 ILE MD 8.000 . 8.000 2.234 1.777 4.189 0.023 11 0 "[ . 1 . 2]" 1
198 1 12 SER H 1 12 SER HB3 3.900 . 3.900 3.801 2.660 3.923 0.023 17 0 "[ . 1 . 2]" 1
199 1 12 SER H 1 12 SER HB2 3.900 . 3.900 3.442 3.213 3.528 . 0 0 "[ . 1 . 2]" 1
200 1 12 SER H 1 13 ALA H 5.500 . 5.500 4.293 4.201 4.412 . 0 0 "[ . 1 . 2]" 1
201 1 12 SER H 1 18 PHE CZ 6.200 . 6.200 5.728 5.121 6.221 0.021 6 0 "[ . 1 . 2]" 1
202 1 12 SER HA 1 12 SER HB3 3.000 . 3.000 2.269 2.225 3.007 0.007 6 0 "[ . 1 . 2]" 1
203 1 12 SER HA 1 12 SER HB2 3.000 . 3.000 2.832 2.396 2.868 . 0 0 "[ . 1 . 2]" 1
204 1 12 SER HA 1 13 ALA H 2.500 . 2.500 2.175 2.131 2.283 . 0 0 "[ . 1 . 2]" 1
205 1 12 SER HA 1 13 ALA MB 6.000 . 6.000 3.833 3.677 3.872 . 0 0 "[ . 1 . 2]" 1
206 1 12 SER HA 1 18 PHE CG 7.000 . 7.000 6.686 6.151 7.011 0.011 1 0 "[ . 1 . 2]" 1
207 1 12 SER HA 1 18 PHE CZ 6.300 . 6.300 4.163 3.743 4.585 . 0 0 "[ . 1 . 2]" 1
208 1 12 SER HA 1 18 PHE HZ 5.000 . 5.000 3.293 2.782 3.789 . 0 0 "[ . 1 . 2]" 1
209 1 12 SER HA 1 83 ILE HA 4.800 . 4.800 3.918 3.647 4.263 . 0 0 "[ . 1 . 2]" 1
210 1 12 SER HA 1 83 ILE MD 6.000 . 6.000 5.191 4.574 5.534 . 0 0 "[ . 1 . 2]" 1
211 1 12 SER HA 1 84 THR H 3.200 . 3.200 2.281 2.021 2.490 . 0 0 "[ . 1 . 2]" 1
212 1 12 SER HA 1 84 THR HB 5.000 . 5.000 2.472 1.930 4.587 . 0 0 "[ . 1 . 2]" 1
213 1 12 SER HA 1 84 THR HG1 6.000 . 6.000 3.157 1.798 3.777 0.002 13 0 "[ . 1 . 2]" 1
214 1 12 SER HA 1 86 LEU QD 7.600 . 7.600 4.104 3.423 5.509 . 0 0 "[ . 1 . 2]" 1
215 1 12 SER HB3 1 13 ALA H 3.400 . 3.400 3.427 3.405 3.529 0.129 6 0 "[ . 1 . 2]" 1
216 1 12 SER HB3 1 84 THR H 5.000 . 5.000 3.712 3.242 4.825 . 0 0 "[ . 1 . 2]" 1
217 1 12 SER HB2 1 13 ALA H 3.400 . 3.400 3.411 3.225 3.544 0.144 6 0 "[ . 1 . 2]" 1
218 1 12 SER HB2 1 84 THR H 5.000 . 5.000 4.832 3.515 5.055 0.055 18 0 "[ . 1 . 2]" 1
219 1 12 SER QB 1 13 ALA H 3.200 . 3.200 3.046 2.945 3.151 . 0 0 "[ . 1 . 2]" 1
220 1 12 SER QB 1 84 THR H 4.800 . 4.800 3.551 3.179 3.771 . 0 0 "[ . 1 . 2]" 1
221 1 13 ALA H 1 13 ALA HA 2.900 . 2.900 2.821 2.815 2.833 . 0 0 "[ . 1 . 2]" 1
222 1 13 ALA H 1 14 LYS H 4.200 . 4.200 4.285 4.234 4.327 0.127 10 0 "[ . 1 . 2]" 1
223 1 13 ALA H 1 18 PHE CG 7.000 . 7.000 5.589 5.162 5.895 . 0 0 "[ . 1 . 2]" 1
224 1 13 ALA H 1 18 PHE CZ 6.200 . 6.200 3.044 2.709 3.320 . 0 0 "[ . 1 . 2]" 1
225 1 13 ALA H 1 18 PHE HZ 5.000 . 5.000 2.203 1.888 2.774 . 0 0 "[ . 1 . 2]" 1
226 1 13 ALA H 1 83 ILE MD 6.000 . 6.000 5.601 4.673 6.047 0.047 2 0 "[ . 1 . 2]" 1
227 1 13 ALA H 1 84 THR H 4.100 . 4.100 3.814 3.408 4.112 0.012 18 0 "[ . 1 . 2]" 1
228 1 13 ALA H 1 84 THR HB 5.300 . 5.300 3.255 2.700 5.318 0.018 13 0 "[ . 1 . 2]" 1
229 1 13 ALA H 1 84 THR HG1 6.500 . 6.500 3.918 3.165 4.340 . 0 0 "[ . 1 . 2]" 1
230 1 13 ALA H 1 85 VAL QG . . 6.000 4.513 4.036 4.951 . 0 0 "[ . 1 . 2]" 1
231 1 13 ALA H 1 86 LEU HG 5.000 . 5.000 4.086 2.965 5.014 0.014 3 0 "[ . 1 . 2]" 1
232 1 13 ALA H 1 86 LEU QD . . 5.600 3.086 2.284 4.455 . 0 0 "[ . 1 . 2]" 1
233 1 13 ALA HA 1 14 LYS H 2.400 . 2.400 2.364 2.264 2.445 0.045 4 0 "[ . 1 . 2]" 1
234 1 13 ALA MB 1 14 LYS H 3.800 . 3.800 2.631 2.392 2.871 . 0 0 "[ . 1 . 2]" 1
235 1 13 ALA MB 1 14 LYS QB 7.200 . 7.200 4.050 3.816 4.535 . 0 0 "[ . 1 . 2]" 1
236 1 13 ALA MB 1 14 LYS QG 8.000 . 8.000 5.156 3.395 5.511 . 0 0 "[ . 1 . 2]" 1
237 1 13 ALA MB 1 15 ALA H 6.400 . 6.400 5.252 4.974 5.382 . 0 0 "[ . 1 . 2]" 1
238 1 13 ALA MB 1 17 SER H 6.000 . 6.000 4.026 3.620 4.410 . 0 0 "[ . 1 . 2]" 1
239 1 13 ALA MB 1 17 SER HA 6.500 . 6.500 4.691 3.994 4.989 . 0 0 "[ . 1 . 2]" 1
240 1 13 ALA MB 1 17 SER HB3 6.000 . 6.000 3.897 1.784 4.559 0.016 10 0 "[ . 1 . 2]" 1
241 1 13 ALA MB 1 17 SER HB2 6.000 . 6.000 2.743 2.316 4.450 . 0 0 "[ . 1 . 2]" 1
242 1 13 ALA MB 1 18 PHE H 6.000 . 6.000 4.116 3.560 4.410 . 0 0 "[ . 1 . 2]" 1
243 1 13 ALA MB 1 18 PHE HA 6.000 . 6.000 3.547 2.746 3.994 . 0 0 "[ . 1 . 2]" 1
244 1 13 ALA MB 1 18 PHE CZ 7.400 . 7.400 2.476 2.230 2.930 . 0 0 "[ . 1 . 2]" 1
245 1 13 ALA MB 1 18 PHE HZ 6.000 . 6.000 2.779 2.326 3.396 . 0 0 "[ . 1 . 2]" 1
246 1 13 ALA MB 1 86 LEU QD 9.600 . 9.600 4.119 3.531 5.039 . 0 0 "[ . 1 . 2]" 1
247 1 14 LYS H 1 14 LYS HB3 3.100 . 3.100 2.520 2.161 3.170 0.070 13 0 "[ . 1 . 2]" 1
248 1 14 LYS H 1 14 LYS HB2 3.100 . 3.100 2.701 2.090 3.358 0.258 13 0 "[ . 1 . 2]" 1
249 1 14 LYS H 1 14 LYS QB 2.900 . 2.900 2.219 2.060 2.899 . 0 0 "[ . 1 . 2]" 1
250 1 14 LYS H 1 14 LYS QG 4.500 . 4.500 3.840 1.734 4.058 0.066 13 0 "[ . 1 . 2]" 1
251 1 14 LYS H 1 14 LYS QD 6.000 . 6.000 4.145 3.314 4.813 . 0 0 "[ . 1 . 2]" 1
252 1 14 LYS H 1 14 LYS QE 6.000 . 6.000 4.972 4.044 5.851 . 0 0 "[ . 1 . 2]" 1
253 1 14 LYS H 1 17 SER HB3 4.800 . 4.800 3.843 2.088 4.194 . 0 0 "[ . 1 . 2]" 1
254 1 14 LYS H 1 17 SER HB2 4.800 . 4.800 3.283 1.905 3.668 . 0 0 "[ . 1 . 2]" 1
255 1 14 LYS H 1 17 SER QB 4.200 . 4.200 3.077 1.766 3.334 0.034 10 0 "[ . 1 . 2]" 1
256 1 14 LYS H 1 86 LEU QD 7.600 . 7.600 3.419 2.310 4.429 . 0 0 "[ . 1 . 2]" 1
257 1 14 LYS HA 1 15 ALA H 2.400 . 2.400 2.282 2.206 2.403 0.003 10 0 "[ . 1 . 2]" 1
258 1 14 LYS HA 1 85 VAL HA 4.800 . 4.800 3.888 3.565 4.098 . 0 0 "[ . 1 . 2]" 1
259 1 14 LYS HA 1 86 LEU H 3.200 . 3.200 2.164 1.841 2.521 . 0 0 "[ . 1 . 2]" 1
260 1 14 LYS HB3 1 14 LYS QE 4.600 . 4.600 3.310 2.011 4.538 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS HB3 1 15 ALA H 4.400 . 4.400 3.947 3.184 4.370 . 0 0 "[ . 1 . 2]" 1
262 1 14 LYS HB2 1 14 LYS QE 4.600 . 4.600 3.423 2.180 4.155 . 0 0 "[ . 1 . 2]" 1
263 1 14 LYS HB2 1 15 ALA H 4.400 . 4.400 3.967 2.886 4.401 0.001 14 0 "[ . 1 . 2]" 1
264 1 14 LYS QB 1 18 PHE H 6.900 . 6.900 5.668 5.061 6.135 . 0 0 "[ . 1 . 2]" 1
265 1 14 LYS QB 1 86 LEU QD 6.200 . 6.200 3.179 1.931 4.668 . 0 0 "[ . 1 . 2]" 1
266 1 14 LYS QG 1 15 ALA H 5.900 . 5.900 2.504 1.907 4.457 . 0 0 "[ . 1 . 2]" 1
267 1 14 LYS QD 1 15 ALA H 6.000 . 6.000 3.922 1.913 5.000 . 0 0 "[ . 1 . 2]" 1
268 1 14 LYS QE 1 15 ALA H 6.000 . 6.000 4.528 3.085 5.470 . 0 0 "[ . 1 . 2]" 1
269 1 14 LYS QE 1 15 ALA MB 5.700 . 5.700 4.944 2.942 5.748 0.048 13 0 "[ . 1 . 2]" 1
270 1 15 ALA H 1 15 ALA HA 2.900 . 2.900 2.794 2.748 2.839 . 0 0 "[ . 1 . 2]" 1
271 1 15 ALA H 1 15 ALA MB 3.600 . 3.600 2.193 2.085 2.284 . 0 0 "[ . 1 . 2]" 1
272 1 15 ALA H 1 16 GLY H 4.200 . 4.200 4.233 4.112 4.256 0.056 9 0 "[ . 1 . 2]" 1
273 1 15 ALA H 1 18 PHE CZ 7.000 . 7.000 5.662 5.281 5.904 . 0 0 "[ . 1 . 2]" 1
274 1 15 ALA H 1 62 GLU HA 6.200 . 6.200 5.674 5.009 6.204 0.004 8 0 "[ . 1 . 2]" 1
275 1 15 ALA H 1 85 VAL QG . . 5.100 2.884 2.354 3.724 . 0 0 "[ . 1 . 2]" 1
276 1 15 ALA H 1 86 LEU H 4.000 . 4.000 2.850 2.189 3.575 . 0 0 "[ . 1 . 2]" 1
277 1 15 ALA H 1 86 LEU QD 7.600 . 7.600 4.322 3.528 4.955 . 0 0 "[ . 1 . 2]" 1
278 1 15 ALA H 1 87 PRO HA 5.300 . 5.300 3.584 2.022 4.996 . 0 0 "[ . 1 . 2]" 1
279 1 15 ALA H 1 87 PRO QB 7.100 . 7.100 4.802 3.041 6.291 . 0 0 "[ . 1 . 2]" 1
280 1 15 ALA H 1 87 PRO QG 7.600 . 7.600 5.269 3.461 6.613 . 0 0 "[ . 1 . 2]" 1
281 1 15 ALA H 1 88 LYS H 5.600 . 5.600 4.690 4.001 5.379 . 0 0 "[ . 1 . 2]" 1
282 1 15 ALA H 1 88 LYS QG 5.500 . 5.500 5.147 3.740 5.598 0.098 1 0 "[ . 1 . 2]" 1
283 1 15 ALA HA 1 16 GLY H 2.500 . 2.500 2.050 2.027 2.156 . 0 0 "[ . 1 . 2]" 1
284 1 15 ALA HA 1 17 SER H 3.600 . 3.600 3.783 3.660 3.821 0.221 6 0 "[ . 1 . 2]" 1
285 1 15 ALA HA 1 18 PHE H 5.200 . 5.200 4.458 4.293 4.716 . 0 0 "[ . 1 . 2]" 1
286 1 15 ALA HA 1 18 PHE CG 7.000 . 7.000 4.367 3.883 4.843 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA HA 1 18 PHE CZ 6.800 . 6.800 4.530 4.400 4.657 . 0 0 "[ . 1 . 2]" 1
288 1 15 ALA HA 1 18 PHE HZ 5.000 . 5.000 5.021 5.004 5.040 0.040 17 0 "[ . 1 . 2]" 1
289 1 15 ALA HA 1 85 VAL QG 6.000 . 6.000 2.109 1.793 2.813 0.007 10 0 "[ . 1 . 2]" 1
290 1 15 ALA MB 1 18 PHE CG 8.000 . 8.000 5.606 5.142 6.070 . 0 0 "[ . 1 . 2]" 1
291 1 15 ALA MB 1 18 PHE CZ 8.000 . 8.000 5.456 5.129 5.702 . 0 0 "[ . 1 . 2]" 1
292 1 15 ALA MB 1 18 PHE HZ 8.000 . 8.000 5.639 5.388 5.798 . 0 0 "[ . 1 . 2]" 1
293 1 15 ALA MB 1 59 THR H 6.300 . 6.300 4.760 4.459 5.069 . 0 0 "[ . 1 . 2]" 1
294 1 15 ALA MB 1 60 LEU H 3.900 . 3.900 3.971 3.946 4.013 0.113 10 0 "[ . 1 . 2]" 1
295 1 15 ALA MB 1 62 GLU H 6.400 . 6.400 5.538 5.216 5.933 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA MB 1 63 ASN H 7.200 . 7.200 5.459 5.094 6.039 . 0 0 "[ . 1 . 2]" 1
297 1 15 ALA MB 1 88 LYS H 6.000 . 6.000 4.000 2.532 4.891 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLY H 1 17 SER H 3.200 . 3.200 2.494 2.197 2.572 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLY H 1 18 PHE H 4.300 . 4.300 2.606 2.509 2.722 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLY H 1 18 PHE CG 6.800 . 6.800 3.772 3.651 3.899 . 0 0 "[ . 1 . 2]" 1
301 1 16 GLY H 1 18 PHE CZ 7.000 . 7.000 5.042 4.817 5.273 . 0 0 "[ . 1 . 2]" 1
302 1 16 GLY H 1 58 ASN HA 3.200 . 3.200 2.603 2.305 2.901 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLY H 1 58 ASN HB3 5.500 . 5.500 5.191 4.502 5.508 0.008 12 0 "[ . 1 . 2]" 1
304 1 16 GLY H 1 58 ASN HB2 5.500 . 5.500 3.841 3.017 4.165 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLY H 1 85 VAL QG 7.000 . 7.000 3.632 3.036 4.480 . 0 0 "[ . 1 . 2]" 1
306 1 16 GLY QA 1 18 PHE H 5.900 . 5.900 3.071 2.985 3.128 . 0 0 "[ . 1 . 2]" 1
307 1 16 GLY QA 1 18 PHE CG 7.900 . 7.900 5.264 5.084 5.362 . 0 0 "[ . 1 . 2]" 1
308 1 16 GLY QA 1 58 ASN H 5.900 . 5.900 4.107 3.496 5.113 . 0 0 "[ . 1 . 2]" 1
309 1 16 GLY QA 1 58 ASN HA 4.400 . 4.400 2.436 1.910 3.228 . 0 0 "[ . 1 . 2]" 1
310 1 17 SER H 1 17 SER HB3 3.100 . 3.100 3.133 2.023 3.224 0.124 14 0 "[ . 1 . 2]" 1
311 1 17 SER H 1 17 SER HB2 3.100 . 3.100 3.186 1.960 3.302 0.202 6 0 "[ . 1 . 2]" 1
312 1 17 SER H 1 18 PHE H 2.700 . 2.700 2.716 2.656 2.739 0.039 6 0 "[ . 1 . 2]" 1
313 1 17 SER H 1 18 PHE CG 6.300 . 6.300 4.770 4.619 4.892 . 0 0 "[ . 1 . 2]" 1
314 1 17 SER HB3 1 18 PHE H 5.000 . 5.000 4.514 3.744 4.605 . 0 0 "[ . 1 . 2]" 1
315 1 17 SER HB2 1 18 PHE H 5.000 . 5.000 4.003 3.820 4.595 . 0 0 "[ . 1 . 2]" 1
316 1 17 SER QB 1 19 ALA H 5.400 . 5.400 4.772 4.598 5.345 . 0 0 "[ . 1 . 2]" 1
317 1 18 PHE H 1 18 PHE HB3 3.300 . 3.300 3.509 3.404 3.569 0.269 13 0 "[ . 1 . 2]" 1
318 1 18 PHE H 1 18 PHE HB2 3.300 . 3.300 2.269 2.122 2.408 . 0 0 "[ . 1 . 2]" 1
319 1 18 PHE CZ 1 18 PHE H 6.000 . 6.000 5.370 5.089 5.818 . 0 0 "[ . 1 . 2]" 1
320 1 18 PHE H 1 19 ALA H 4.900 . 4.900 3.770 3.698 3.869 . 0 0 "[ . 1 . 2]" 1
321 1 18 PHE H 1 54 ALA HA 6.400 . 6.400 4.703 4.459 5.077 . 0 0 "[ . 1 . 2]" 1
322 1 18 PHE H 1 54 ALA MB 6.600 . 6.600 3.919 3.519 4.303 . 0 0 "[ . 1 . 2]" 1
323 1 18 PHE H 1 57 LEU QB 5.900 . 5.900 4.238 3.819 4.753 . 0 0 "[ . 1 . 2]" 1
324 1 18 PHE H 1 57 LEU QD . . 6.000 4.314 3.101 4.754 . 0 0 "[ . 1 . 2]" 1
325 1 18 PHE H 1 58 ASN HA 4.700 . 4.700 4.362 3.839 4.712 0.012 16 0 "[ . 1 . 2]" 1
326 1 18 PHE CZ 1 18 PHE HA 5.600 . 5.600 4.878 4.702 5.009 . 0 0 "[ . 1 . 2]" 1
327 1 18 PHE HB3 1 19 ALA H 4.400 . 4.400 4.146 4.062 4.203 . 0 0 "[ . 1 . 2]" 1
328 1 18 PHE HB3 1 57 LEU QD 6.800 . 6.800 1.876 1.787 2.564 0.013 6 0 "[ . 1 . 2]" 1
329 1 18 PHE HB2 1 19 ALA H 4.400 . 4.400 4.466 4.426 4.512 0.112 18 0 "[ . 1 . 2]" 1
330 1 18 PHE HB2 1 57 LEU QD 6.800 . 6.800 2.721 1.796 3.226 0.004 12 0 "[ . 1 . 2]" 1
331 1 18 PHE QB 1 19 ALA H 4.200 . 4.200 3.818 3.761 3.849 . 0 0 "[ . 1 . 2]" 1
332 1 18 PHE QB 1 57 LEU H 5.900 . 5.900 4.667 4.306 5.132 . 0 0 "[ . 1 . 2]" 1
333 1 18 PHE QB 1 57 LEU QD 5.500 . 5.500 1.787 1.759 1.845 0.041 9 0 "[ . 1 . 2]" 1
334 1 18 PHE QB 1 58 ASN H 5.900 . 5.900 3.884 3.370 4.639 . 0 0 "[ . 1 . 2]" 1
335 1 18 PHE CG 1 19 ALA H 6.400 . 6.400 4.899 4.809 4.944 . 0 0 "[ . 1 . 2]" 1
336 1 18 PHE CG 1 57 LEU QB 7.500 . 7.500 3.299 2.263 4.148 . 0 0 "[ . 1 . 2]" 1
337 1 18 PHE CG 1 57 LEU HG 7.000 . 7.000 3.646 2.390 5.289 . 0 0 "[ . 1 . 2]" 1
338 1 18 PHE CG 1 57 LEU QD . . 6.900 2.510 2.125 3.440 . 0 0 "[ . 1 . 2]" 1
339 1 18 PHE CG 1 58 ASN HA 6.300 . 6.300 5.312 4.431 6.153 . 0 0 "[ . 1 . 2]" 1
340 1 18 PHE CG 1 60 LEU QD 9.600 . 9.600 5.402 3.460 6.815 . 0 0 "[ . 1 . 2]" 1
341 1 18 PHE CG 1 83 ILE MD 8.000 . 8.000 3.993 2.456 5.571 . 0 0 "[ . 1 . 2]" 1
342 1 18 PHE CG 1 85 VAL QG 8.000 . 8.000 4.118 3.471 5.377 . 0 0 "[ . 1 . 2]" 1
343 1 18 PHE CZ 1 57 LEU QD 9.600 . 9.600 3.747 2.969 5.201 . 0 0 "[ . 1 . 2]" 1
344 1 18 PHE CZ 1 60 LEU QD 9.600 . 9.600 5.312 3.438 6.827 . 0 0 "[ . 1 . 2]" 1
345 1 18 PHE CZ 1 83 ILE MD 7.400 . 7.400 3.879 2.538 4.932 . 0 0 "[ . 1 . 2]" 1
346 1 18 PHE CZ 1 84 THR H 7.500 . 7.500 4.630 4.096 5.100 . 0 0 "[ . 1 . 2]" 1
347 1 18 PHE CZ 1 85 VAL QG . . 6.900 3.365 2.566 4.237 . 0 0 "[ . 1 . 2]" 1
348 1 18 PHE HZ 1 57 LEU QD 7.600 . 7.600 4.402 3.619 5.942 . 0 0 "[ . 1 . 2]" 1
349 1 18 PHE HZ 1 83 ILE MD 6.400 . 6.400 4.224 3.133 5.031 . 0 0 "[ . 1 . 2]" 1
350 1 18 PHE HZ 1 85 VAL QG 6.500 . 6.500 3.374 2.164 3.978 . 0 0 "[ . 1 . 2]" 1
351 1 19 ALA H 1 21 THR HG1 6.600 . 6.600 4.760 4.133 5.517 . 0 0 "[ . 1 . 2]" 1
352 1 19 ALA H 1 53 LEU QD 10.500 . 10.500 8.155 7.268 9.014 . 0 0 "[ . 1 . 2]" 1
353 1 19 ALA H 1 54 ALA MB 6.200 . 6.200 3.847 3.688 4.256 . 0 0 "[ . 1 . 2]" 1
354 1 19 ALA HA 1 20 ASP H 2.500 . 2.500 2.306 2.184 2.398 . 0 0 "[ . 1 . 2]" 1
355 1 19 ALA MB 1 20 ASP HA 5.100 . 5.100 4.512 4.424 4.617 . 0 0 "[ . 1 . 2]" 1
356 1 19 ALA MB 1 21 THR H 6.600 . 6.600 5.323 5.157 5.576 . 0 0 "[ . 1 . 2]" 1
357 1 20 ASP H 1 20 ASP HA 2.900 . 2.900 2.662 2.655 2.668 . 0 0 "[ . 1 . 2]" 1
358 1 20 ASP H 1 20 ASP HB3 2.800 . 2.800 2.706 2.635 2.812 0.012 15 0 "[ . 1 . 2]" 1
359 1 20 ASP H 1 20 ASP HB2 2.800 . 2.800 2.472 2.373 2.529 . 0 0 "[ . 1 . 2]" 1
360 1 20 ASP H 1 20 ASP QB 2.600 . 2.600 2.285 2.254 2.306 . 0 0 "[ . 1 . 2]" 1
361 1 20 ASP H 1 21 THR H 4.600 . 4.600 4.478 4.377 4.620 0.020 3 0 "[ . 1 . 2]" 1
362 1 20 ASP H 1 51 THR HG1 8.000 . 8.000 5.745 5.326 6.536 . 0 0 "[ . 1 . 2]" 1
363 1 20 ASP H 1 53 LEU HA 4.800 . 4.800 4.519 4.033 4.802 0.002 7 0 "[ . 1 . 2]" 1
364 1 20 ASP H 1 53 LEU QD 7.600 . 7.600 5.085 3.819 6.568 . 0 0 "[ . 1 . 2]" 1
365 1 20 ASP H 1 54 ALA H 4.200 . 4.200 3.090 2.774 3.480 . 0 0 "[ . 1 . 2]" 1
366 1 20 ASP H 1 54 ALA HA 4.600 . 4.600 4.500 3.943 4.646 0.046 13 0 "[ . 1 . 2]" 1
367 1 20 ASP H 1 54 ALA MB 4.700 . 4.700 2.182 1.827 2.538 . 0 0 "[ . 1 . 2]" 1
368 1 20 ASP HA 1 20 ASP HB3 3.000 . 3.000 3.021 3.019 3.024 0.024 7 0 "[ . 1 . 2]" 1
369 1 20 ASP HA 1 20 ASP HB2 3.000 . 3.000 2.447 2.419 2.501 . 0 0 "[ . 1 . 2]" 1
370 1 20 ASP HA 1 21 THR H 2.400 . 2.400 2.171 2.142 2.237 . 0 0 "[ . 1 . 2]" 1
371 1 20 ASP HA 1 21 THR HB 6.400 . 6.400 4.707 4.280 4.952 . 0 0 "[ . 1 . 2]" 1
372 1 20 ASP HA 1 53 LEU HA 4.900 . 4.900 2.735 2.422 2.916 . 0 0 "[ . 1 . 2]" 1
373 1 20 ASP HA 1 53 LEU QD 7.600 . 7.600 4.141 3.155 5.140 . 0 0 "[ . 1 . 2]" 1
374 1 20 ASP HA 1 54 ALA H 3.300 . 3.300 2.411 2.009 2.621 . 0 0 "[ . 1 . 2]" 1
375 1 20 ASP HB3 1 21 THR H 5.300 . 5.300 4.284 4.070 4.415 . 0 0 "[ . 1 . 2]" 1
376 1 20 ASP HB3 1 54 ALA H 5.000 . 5.000 4.541 3.762 4.893 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASP HB2 1 21 THR H 5.300 . 5.300 4.297 4.050 4.454 . 0 0 "[ . 1 . 2]" 1
378 1 20 ASP HB2 1 54 ALA H 5.000 . 5.000 3.193 2.225 3.636 . 0 0 "[ . 1 . 2]" 1
379 1 21 THR H 1 21 THR HB 2.800 . 2.800 2.761 2.547 2.860 0.060 1 0 "[ . 1 . 2]" 1
380 1 21 THR H 1 22 LYS H 4.200 . 4.200 4.229 4.035 4.435 0.235 12 0 "[ . 1 . 2]" 1
381 1 21 THR H 1 51 THR HG1 4.500 . 4.500 3.356 2.660 4.246 . 0 0 "[ . 1 . 2]" 1
382 1 21 THR H 1 52 LEU H 3.300 . 3.300 3.150 2.951 3.338 0.038 7 0 "[ . 1 . 2]" 1
383 1 21 THR H 1 52 LEU HB3 5.000 . 5.000 3.822 2.551 5.141 0.141 1 0 "[ . 1 . 2]" 1
384 1 21 THR H 1 52 LEU HB2 5.000 . 5.000 2.964 2.168 4.332 . 0 0 "[ . 1 . 2]" 1
385 1 21 THR H 1 52 LEU QB 4.600 . 4.600 2.827 2.138 4.117 . 0 0 "[ . 1 . 2]" 1
386 1 21 THR H 1 52 LEU HG 5.000 . 5.000 4.889 4.127 5.095 0.095 8 0 "[ . 1 . 2]" 1
387 1 21 THR H 1 52 LEU QD 7.600 . 7.600 3.131 1.760 4.370 0.040 1 0 "[ . 1 . 2]" 1
388 1 21 THR H 1 53 LEU HA 3.900 . 3.900 3.955 3.847 4.032 0.132 17 0 "[ . 1 . 2]" 1
389 1 21 THR H 1 54 ALA MB 6.000 . 6.000 4.873 4.559 5.321 . 0 0 "[ . 1 . 2]" 1
390 1 21 THR H 1 57 LEU QD 8.500 . 8.500 4.541 3.240 5.660 . 0 0 "[ . 1 . 2]" 1
391 1 21 THR HA 1 22 LYS H 2.400 . 2.400 2.199 2.121 2.370 . 0 0 "[ . 1 . 2]" 1
392 1 21 THR HA 1 52 LEU H 4.900 . 4.900 4.658 4.340 4.921 0.021 14 0 "[ . 1 . 2]" 1
393 1 21 THR HB 1 22 LYS H 5.000 . 5.000 4.096 3.175 4.334 . 0 0 "[ . 1 . 2]" 1
394 1 21 THR HB 1 22 LYS HA 5.800 . 5.800 4.932 4.300 5.344 . 0 0 "[ . 1 . 2]" 1
395 1 21 THR HB 1 52 LEU H 4.300 . 4.300 3.450 2.651 4.151 . 0 0 "[ . 1 . 2]" 1
396 1 21 THR HB 1 57 LEU QD 8.100 . 8.100 4.265 3.480 5.259 . 0 0 "[ . 1 . 2]" 1
397 1 21 THR HG1 1 22 LYS H 4.600 . 4.600 2.790 1.827 3.458 . 0 0 "[ . 1 . 2]" 1
398 1 21 THR HG1 1 22 LYS HA 6.000 . 6.000 4.159 3.446 4.621 . 0 0 "[ . 1 . 2]" 1
399 1 22 LYS H 1 22 LYS HA 2.800 . 2.800 2.857 2.816 2.910 0.110 8 0 "[ . 1 . 2]" 1
400 1 22 LYS H 1 22 LYS HB3 3.300 . 3.300 3.056 2.074 3.380 0.080 11 0 "[ . 1 . 2]" 1
401 1 22 LYS H 1 22 LYS HB2 3.300 . 3.300 2.918 2.067 3.405 0.105 11 0 "[ . 1 . 2]" 1
402 1 22 LYS H 1 22 LYS QD 5.800 . 5.800 3.497 1.915 4.708 . 0 0 "[ . 1 . 2]" 1
403 1 22 LYS H 1 22 LYS QE 6.000 . 6.000 4.322 2.214 5.995 . 0 0 "[ . 1 . 2]" 1
404 1 22 LYS H 1 23 ILE H 4.400 . 4.400 4.470 4.297 4.550 0.150 18 0 "[ . 1 . 2]" 1
405 1 22 LYS H 1 51 THR HA 5.300 . 5.300 4.345 4.168 4.582 . 0 0 "[ . 1 . 2]" 1
406 1 22 LYS H 1 51 THR HG1 6.000 . 6.000 3.589 2.668 4.349 . 0 0 "[ . 1 . 2]" 1
407 1 22 LYS H 1 52 LEU H 5.500 . 5.500 4.622 4.175 4.936 . 0 0 "[ . 1 . 2]" 1
408 1 22 LYS HA 1 22 LYS HB3 2.900 . 2.900 2.606 2.228 2.994 0.094 14 0 "[ . 1 . 2]" 1
409 1 22 LYS HA 1 22 LYS HB2 2.900 . 2.900 2.686 2.231 2.893 . 0 0 "[ . 1 . 2]" 1
410 1 22 LYS HA 1 23 ILE H 2.400 . 2.400 2.264 2.085 2.427 0.027 2 0 "[ . 1 . 2]" 1
411 1 22 LYS HA 1 23 ILE HB 4.100 . 4.100 4.101 3.897 4.245 0.145 11 0 "[ . 1 . 2]" 1
412 1 22 LYS HA 1 23 ILE QG 5.900 . 5.900 3.906 3.341 4.408 . 0 0 "[ . 1 . 2]" 1
413 1 22 LYS HA 1 50 VAL H 6.700 . 6.700 4.769 4.418 5.139 . 0 0 "[ . 1 . 2]" 1
414 1 22 LYS HA 1 51 THR HA 3.600 . 3.600 1.889 1.755 2.127 0.045 14 0 "[ . 1 . 2]" 1
415 1 22 LYS HA 1 51 THR HG1 6.000 . 6.000 2.542 2.068 3.045 . 0 0 "[ . 1 . 2]" 1
416 1 22 LYS HA 1 52 LEU H 3.300 . 3.300 3.328 3.112 3.410 0.110 13 0 "[ . 1 . 2]" 1
417 1 22 LYS HB3 1 23 ILE H 4.000 . 4.000 3.397 2.691 4.030 0.030 19 0 "[ . 1 . 2]" 1
418 1 22 LYS HB2 1 23 ILE H 4.000 . 4.000 3.519 2.409 4.028 0.028 6 0 "[ . 1 . 2]" 1
419 1 22 LYS QB 1 23 ILE H 3.800 . 3.800 2.973 2.328 3.589 . 0 0 "[ . 1 . 2]" 1
420 1 22 LYS QG 1 23 ILE H 6.000 . 6.000 3.396 1.921 4.828 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS QD 1 23 ILE H 6.000 . 6.000 4.052 2.115 5.644 . 0 0 "[ . 1 . 2]" 1
422 1 23 ILE H 1 23 ILE HB 2.800 . 2.800 2.587 2.147 2.814 0.014 13 0 "[ . 1 . 2]" 1
423 1 23 ILE H 1 23 ILE HG13 4.300 . 4.300 3.751 3.198 4.338 0.038 6 0 "[ . 1 . 2]" 1
424 1 23 ILE H 1 23 ILE HG12 4.300 . 4.300 4.158 3.117 4.376 0.076 18 0 "[ . 1 . 2]" 1
425 1 23 ILE H 1 24 THR H 6.800 . 6.800 4.405 4.010 4.582 . 0 0 "[ . 1 . 2]" 1
426 1 23 ILE H 1 49 GLU HA 6.500 . 6.500 4.959 4.201 5.531 . 0 0 "[ . 1 . 2]" 1
427 1 23 ILE H 1 49 GLU QB 5.900 . 5.900 4.285 3.583 5.053 . 0 0 "[ . 1 . 2]" 1
428 1 23 ILE H 1 50 VAL H 3.300 . 3.300 2.997 2.491 3.371 0.071 15 0 "[ . 1 . 2]" 1
429 1 23 ILE H 1 50 VAL QG . . 6.300 3.842 3.143 4.490 . 0 0 "[ . 1 . 2]" 1
430 1 23 ILE H 1 51 THR HA 3.500 . 3.500 2.975 2.189 3.499 . 0 0 "[ . 1 . 2]" 1
431 1 23 ILE H 1 51 THR HG1 6.000 . 6.000 3.869 3.076 4.444 . 0 0 "[ . 1 . 2]" 1
432 1 23 ILE H 1 52 LEU H 6.800 . 6.800 4.567 3.587 5.068 . 0 0 "[ . 1 . 2]" 1
433 1 23 ILE HA 1 23 ILE HB 2.800 . 2.800 2.933 2.826 2.974 0.174 17 0 "[ . 1 . 2]" 1
434 1 23 ILE HA 1 24 THR H 2.400 . 2.400 2.315 2.161 2.390 . 0 0 "[ . 1 . 2]" 1
435 1 23 ILE HB 1 24 THR H 4.400 . 4.400 4.034 3.780 4.403 0.003 3 0 "[ . 1 . 2]" 1
436 1 23 ILE HB 1 25 LEU QD 7.400 . 7.400 4.325 3.432 5.364 . 0 0 "[ . 1 . 2]" 1
437 1 23 ILE HB 1 70 PHE CG 7.000 . 7.000 6.740 6.185 7.036 0.036 17 0 "[ . 1 . 2]" 1
438 1 23 ILE HB 1 70 PHE CZ 6.700 . 6.700 4.381 3.942 4.678 . 0 0 "[ . 1 . 2]" 1
439 1 23 ILE HB 1 70 PHE HZ 4.300 . 4.300 3.624 3.204 4.088 . 0 0 "[ . 1 . 2]" 1
440 1 23 ILE QG 1 24 THR H 4.500 . 4.500 2.039 1.834 2.925 . 0 0 "[ . 1 . 2]" 1
441 1 23 ILE QG 1 26 THR H 6.500 . 6.500 5.219 4.904 5.485 . 0 0 "[ . 1 . 2]" 1
442 1 23 ILE QG 1 50 VAL H 6.000 . 6.000 2.939 2.436 3.602 . 0 0 "[ . 1 . 2]" 1
443 1 23 ILE QG 1 70 PHE CG . . 7.900 4.455 4.046 4.797 . 0 0 "[ . 1 . 2]" 1
444 1 23 ILE QG 1 70 PHE CZ . . 7.100 2.809 2.353 3.504 . 0 0 "[ . 1 . 2]" 1
445 1 23 ILE QG 1 70 PHE HZ . . 4.300 2.484 1.903 3.342 . 0 0 "[ . 1 . 2]" 1
446 1 23 ILE QG 1 52 LEU H 6.000 . 6.000 4.127 3.450 5.051 . 0 0 "[ . 1 . 2]" 1
447 1 23 ILE MD 1 25 LEU QD 7.100 . 7.100 3.956 2.960 5.495 . 0 0 "[ . 1 . 2]" 1
448 1 23 ILE MD 1 68 LEU HG 6.600 . 6.600 4.857 3.540 6.659 0.059 17 0 "[ . 1 . 2]" 1
449 1 24 THR H 1 24 THR HB 2.900 . 2.900 2.801 2.655 2.918 0.018 20 0 "[ . 1 . 2]" 1
450 1 24 THR H 1 25 LEU H 5.000 . 5.000 4.142 3.812 4.357 . 0 0 "[ . 1 . 2]" 1
451 1 24 THR H 1 25 LEU QD 7.600 . 7.600 4.701 3.776 5.347 . 0 0 "[ . 1 . 2]" 1
452 1 24 THR H 1 49 GLU HA 6.200 . 6.200 4.754 4.347 4.969 . 0 0 "[ . 1 . 2]" 1
453 1 24 THR H 1 49 GLU QB 6.400 . 6.400 5.650 5.094 6.153 . 0 0 "[ . 1 . 2]" 1
454 1 24 THR H 1 49 GLU QG 6.000 . 6.000 4.691 4.050 6.018 0.018 17 0 "[ . 1 . 2]" 1
455 1 24 THR HA 1 25 LEU H 2.400 . 2.400 2.161 2.134 2.236 . 0 0 "[ . 1 . 2]" 1
456 1 24 THR HA 1 49 GLU HA 3.700 . 3.700 2.505 2.070 2.774 . 0 0 "[ . 1 . 2]" 1
457 1 24 THR HA 1 50 VAL H 3.600 . 3.600 3.600 3.510 3.634 0.034 11 0 "[ . 1 . 2]" 1
458 1 24 THR HB 1 25 LEU H 4.400 . 4.400 4.303 4.088 4.507 0.107 20 0 "[ . 1 . 2]" 1
459 1 24 THR HG1 1 25 LEU H 5.100 . 5.100 3.193 2.674 3.761 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU H 1 25 LEU HB3 3.200 . 3.200 3.325 3.240 3.497 0.297 20 0 "[ . 1 . 2]" 1
461 1 25 LEU H 1 25 LEU HB2 3.200 . 3.200 2.178 2.041 2.637 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU H 1 25 LEU QB 2.900 . 2.900 2.149 2.024 2.564 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU H 1 25 LEU HG 5.000 . 5.000 3.721 1.917 4.483 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU H 1 26 THR H 5.000 . 5.000 4.103 3.758 4.353 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU H 1 48 ASN H 5.400 . 5.400 5.134 3.772 5.412 0.012 15 0 "[ . 1 . 2]" 1
466 1 25 LEU H 1 48 ASN HB3 5.000 . 5.000 4.822 4.506 5.212 0.212 10 0 "[ . 1 . 2]" 1
467 1 25 LEU H 1 48 ASN HB2 5.000 . 5.000 4.826 3.636 5.132 0.132 13 0 "[ . 1 . 2]" 1
468 1 25 LEU H 1 48 ASN QB 4.800 . 4.800 4.250 3.565 4.536 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU H 1 49 GLU H 4.100 . 4.100 4.051 3.341 4.149 0.049 10 0 "[ . 1 . 2]" 1
470 1 25 LEU H 1 49 GLU HA 3.400 . 3.400 2.048 1.866 2.745 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU H 1 50 VAL H 3.900 . 3.900 3.927 3.816 3.989 0.089 17 0 "[ . 1 . 2]" 1
472 1 25 LEU H 1 50 VAL QG 6.400 . 6.400 3.752 2.897 4.516 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU HA 1 26 THR H 2.400 . 2.400 2.250 2.153 2.423 0.023 13 0 "[ . 1 . 2]" 1
474 1 25 LEU HA 1 72 PHE CG 6.700 . 6.700 6.760 6.710 6.817 0.117 4 0 "[ . 1 . 2]" 1
475 1 25 LEU HA 1 72 PHE CZ 5.700 . 5.700 4.466 4.120 4.747 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU HA 1 72 PHE HZ 4.200 . 4.200 3.746 3.149 4.209 0.009 3 0 "[ . 1 . 2]" 1
477 1 25 LEU HB3 1 26 THR H 4.800 . 4.800 4.014 3.769 4.248 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU HB2 1 26 THR H 4.800 . 4.800 4.601 4.325 4.658 . 0 0 "[ . 1 . 2]" 1
479 1 25 LEU QB 1 26 THR H 4.300 . 4.300 3.775 3.596 3.931 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU QB 1 48 ASN H 5.900 . 5.900 3.587 2.319 4.460 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU QB 1 49 GLU H 5.900 . 5.900 3.596 2.752 4.450 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU QB 1 49 GLU HA 5.900 . 5.900 2.886 2.136 3.893 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU QB 1 50 VAL H 5.400 . 5.400 4.397 3.915 5.306 . 0 0 "[ . 1 . 2]" 1
484 1 25 LEU HG 1 26 THR H 5.000 . 5.000 4.541 4.076 5.018 0.018 20 0 "[ . 1 . 2]" 1
485 1 25 LEU HG 1 49 GLU HA 5.000 . 5.000 4.811 2.833 5.105 0.105 10 0 "[ . 1 . 2]" 1
486 1 25 LEU QD 1 26 THR H 6.000 . 6.000 3.805 2.955 4.405 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU QD 1 70 PHE CG . . 7.400 2.594 2.183 3.350 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU QD 1 70 PHE CZ . . 7.500 3.131 2.387 3.824 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU QD 1 72 PHE CG 8.000 . 8.000 3.724 3.052 4.796 . 0 0 "[ . 1 . 2]" 1
490 1 25 LEU QD 1 72 PHE CZ . . 7.600 2.509 2.190 3.385 . 0 0 "[ . 1 . 2]" 1
491 1 25 LEU QD 1 72 PHE HZ . . 4.200 2.407 1.971 3.112 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU QD 1 27 PRO QB 8.200 . 8.200 4.651 3.912 5.065 . 0 0 "[ . 1 . 2]" 1
493 1 25 LEU QD 1 32 PHE H 7.400 . 7.400 4.790 4.030 5.310 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU QD 1 32 PHE CG 9.400 . 9.400 2.589 2.148 3.230 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU QD 1 32 PHE CZ 9.400 . 9.400 3.080 2.478 3.616 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU QD 1 32 PHE HZ 7.400 . 7.400 3.568 2.948 4.048 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU QD 1 46 GLY H 7.600 . 7.600 4.673 3.154 5.799 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU QD 1 48 ASN H 7.400 . 7.400 3.913 2.617 5.010 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU QD 1 48 ASN HA 7.400 . 7.400 3.841 2.755 4.349 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU QD 1 49 GLU H 7.400 . 7.400 4.129 2.365 5.473 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU QD 1 49 GLU HA 7.400 . 7.400 3.575 2.619 4.868 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU QD 1 50 VAL H 7.400 . 7.400 4.005 3.035 4.995 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU QD 1 50 VAL QG 8.900 . 8.900 1.970 1.771 2.781 0.029 17 0 "[ . 1 . 2]" 1
504 1 25 LEU QD 1 70 PHE HZ 7.600 . 7.600 3.645 2.908 4.416 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU QD 1 79 PRO QB 7.000 . 7.000 3.576 2.250 5.226 . 0 0 "[ . 1 . 2]" 1
506 1 26 THR H 1 26 THR HB 2.800 . 2.800 2.600 2.385 2.836 0.036 17 0 "[ . 1 . 2]" 1
507 1 26 THR H 1 27 PRO HD3 5.000 . 5.000 4.307 4.220 4.455 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR H 1 27 PRO HD2 5.000 . 5.000 4.989 4.957 5.013 0.013 11 0 "[ . 1 . 2]" 1
509 1 26 THR H 1 27 PRO QD 4.700 . 4.700 4.065 4.011 4.161 . 0 0 "[ . 1 . 2]" 1
510 1 26 THR H 1 72 PHE CZ 7.000 . 7.000 4.998 4.627 5.280 . 0 0 "[ . 1 . 2]" 1
511 1 26 THR H 1 72 PHE HZ 4.800 . 4.800 4.238 3.790 4.600 . 0 0 "[ . 1 . 2]" 1
512 1 26 THR HG1 1 30 ASN HD21 6.700 . 6.700 4.242 3.697 4.795 . 0 0 "[ . 1 . 2]" 1
513 1 26 THR HG1 1 30 ASN HD22 6.700 . 6.700 4.269 3.471 5.029 . 0 0 "[ . 1 . 2]" 1
514 1 27 PRO HA 1 28 ASN H 3.300 . 3.300 3.236 3.146 3.269 . 0 0 "[ . 1 . 2]" 1
515 1 27 PRO HA 1 28 ASN HA 5.300 . 5.300 4.989 4.956 5.000 . 0 0 "[ . 1 . 2]" 1
516 1 27 PRO HB3 1 28 ASN H 4.200 . 4.200 4.313 4.302 4.327 0.127 1 0 "[ . 1 . 2]" 1
517 1 27 PRO HB2 1 28 ASN H 4.200 . 4.200 4.012 3.973 4.159 . 0 0 "[ . 1 . 2]" 1
518 1 27 PRO QB 1 30 ASN H 6.600 . 6.600 3.763 3.206 3.919 . 0 0 "[ . 1 . 2]" 1
519 1 27 PRO QB 1 72 PHE CG 7.900 . 7.900 5.905 5.575 6.383 . 0 0 "[ . 1 . 2]" 1
520 1 27 PRO QB 1 72 PHE CZ 7.400 . 7.400 4.111 3.660 4.861 . 0 0 "[ . 1 . 2]" 1
521 1 27 PRO HG3 1 28 ASN H 4.200 . 4.200 4.281 4.247 4.347 0.147 1 0 "[ . 1 . 2]" 1
522 1 27 PRO HG3 1 29 GLY H 5.500 . 5.500 5.548 5.504 5.752 0.252 8 0 "[ . 1 . 2]" 1
523 1 27 PRO HG2 1 28 ASN H 4.200 . 4.200 3.062 3.005 3.152 . 0 0 "[ . 1 . 2]" 1
524 1 27 PRO HG2 1 29 GLY H 5.500 . 5.500 4.014 3.924 4.399 . 0 0 "[ . 1 . 2]" 1
525 1 27 PRO QG 1 28 ASN H 3.900 . 3.900 2.999 2.948 3.082 . 0 0 "[ . 1 . 2]" 1
526 1 27 PRO QG 1 72 PHE CG 8.200 . 8.200 7.769 7.518 8.206 0.006 20 0 "[ . 1 . 2]" 1
527 1 27 PRO QG 1 72 PHE CZ 7.900 . 7.900 5.814 5.476 6.483 . 0 0 "[ . 1 . 2]" 1
528 1 27 PRO QG 1 72 PHE HZ 7.600 . 7.600 5.165 4.757 6.016 . 0 0 "[ . 1 . 2]" 1
529 1 27 PRO HD3 1 28 ASN H 5.500 . 5.500 3.656 3.594 3.717 . 0 0 "[ . 1 . 2]" 1
530 1 27 PRO HD2 1 28 ASN H 5.500 . 5.500 2.393 2.312 2.505 . 0 0 "[ . 1 . 2]" 1
531 1 27 PRO QD 1 28 ASN H 5.200 . 5.200 2.363 2.286 2.468 . 0 0 "[ . 1 . 2]" 1
532 1 27 PRO QD 1 29 GLY H 5.900 . 5.900 4.942 4.734 5.059 . 0 0 "[ . 1 . 2]" 1
533 1 27 PRO QD 1 30 ASN H 6.800 . 6.800 5.408 5.132 5.495 . 0 0 "[ . 1 . 2]" 1
534 1 27 PRO QD 1 72 PHE CG 8.100 . 8.100 7.486 7.177 7.844 . 0 0 "[ . 1 . 2]" 1
535 1 27 PRO QD 1 72 PHE CZ 8.000 . 8.000 5.207 4.912 5.803 . 0 0 "[ . 1 . 2]" 1
536 1 27 PRO QD 1 72 PHE HZ 7.000 . 7.000 4.365 3.986 5.125 . 0 0 "[ . 1 . 2]" 1
537 1 28 ASN H 1 28 ASN HA 2.400 . 2.400 2.591 2.583 2.612 0.212 8 0 "[ . 1 . 2]" 1
538 1 28 ASN H 1 28 ASN HB3 4.100 . 4.100 3.188 2.994 3.314 . 0 0 "[ . 1 . 2]" 1
539 1 28 ASN H 1 28 ASN HB2 4.100 . 4.100 2.099 2.060 2.171 . 0 0 "[ . 1 . 2]" 1
540 1 28 ASN H 1 28 ASN QB 3.800 . 3.800 2.071 2.035 2.122 . 0 0 "[ . 1 . 2]" 1
541 1 28 ASN H 1 29 GLY H 3.200 . 3.200 3.514 2.863 3.631 0.431 19 0 "[ . 1 . 2]" 1
542 1 28 ASN HA 1 29 GLY H 3.200 . 3.200 2.483 2.330 3.314 0.114 7 0 "[ . 1 . 2]" 1
543 1 28 ASN HA 1 30 ASN H 5.300 . 5.300 4.225 4.104 4.646 . 0 0 "[ . 1 . 2]" 1
544 1 28 ASN HA 1 30 ASN QD 5.900 . 5.900 4.438 4.182 4.714 . 0 0 "[ . 1 . 2]" 1
545 1 28 ASN HB3 1 29 GLY H 5.000 . 5.000 4.087 3.207 4.279 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASN HB3 1 30 ASN HD21 4.600 . 4.600 4.422 3.933 4.615 0.015 16 0 "[ . 1 . 2]" 1
547 1 28 ASN HB3 1 30 ASN HD22 4.600 . 4.600 3.868 3.332 4.196 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASN HB2 1 29 GLY H 5.000 . 5.000 4.399 3.678 4.531 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASN HB2 1 30 ASN HD21 4.600 . 4.600 4.608 4.498 4.648 0.048 7 0 "[ . 1 . 2]" 1
550 1 28 ASN HB2 1 30 ASN HD22 4.600 . 4.600 4.556 4.262 4.615 0.015 1 0 "[ . 1 . 2]" 1
551 1 28 ASN QB 1 30 ASN H 4.400 . 4.400 4.319 4.168 4.521 0.121 8 0 "[ . 1 . 2]" 1
552 1 28 ASN QB 1 30 ASN QD 4.000 . 4.000 3.390 3.072 3.556 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLY H 1 29 GLY HA3 2.900 . 2.900 2.920 2.725 2.956 0.056 19 0 "[ . 1 . 2]" 1
554 1 29 GLY H 1 29 GLY HA2 2.900 . 2.900 2.519 2.429 2.885 . 0 0 "[ . 1 . 2]" 1
555 1 29 GLY H 1 29 GLY QA 2.500 . 2.500 2.364 2.321 2.498 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLY H 1 30 ASN H 2.900 . 2.900 2.435 1.678 2.590 0.122 1 0 "[ . 1 . 2]" 1
557 1 29 GLY HA3 1 30 ASN H 3.400 . 3.400 3.018 2.892 3.396 . 0 0 "[ . 1 . 2]" 1
558 1 29 GLY HA3 1 30 ASN HD21 6.800 . 6.800 4.361 3.935 4.773 . 0 0 "[ . 1 . 2]" 1
559 1 29 GLY HA3 1 30 ASN HD22 6.800 . 6.800 4.075 3.564 4.385 . 0 0 "[ . 1 . 2]" 1
560 1 29 GLY HA2 1 30 ASN H 3.400 . 3.400 3.400 3.121 3.458 0.058 10 0 "[ . 1 . 2]" 1
561 1 29 GLY HA2 1 30 ASN HD21 6.800 . 6.800 5.158 4.455 5.568 . 0 0 "[ . 1 . 2]" 1
562 1 29 GLY HA2 1 30 ASN HD22 6.800 . 6.800 5.378 4.726 5.644 . 0 0 "[ . 1 . 2]" 1
563 1 29 GLY QA 1 30 ASN H 3.200 . 3.200 2.808 2.753 2.903 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLY QA 1 30 ASN QD 5.800 . 5.800 3.600 3.177 3.885 . 0 0 "[ . 1 . 2]" 1
565 1 30 ASN H 1 30 ASN HB3 3.600 . 3.600 3.667 3.607 3.813 0.213 8 0 "[ . 1 . 2]" 1
566 1 30 ASN H 1 30 ASN HB2 3.600 . 3.600 3.045 2.900 3.127 . 0 0 "[ . 1 . 2]" 1
567 1 30 ASN H 1 30 ASN QB 3.400 . 3.400 2.904 2.792 2.986 . 0 0 "[ . 1 . 2]" 1
568 1 30 ASN H 1 31 THR H 5.600 . 5.600 4.487 4.366 4.525 . 0 0 "[ . 1 . 2]" 1
569 1 30 ASN HA 1 30 ASN HB3 2.900 . 2.900 2.252 2.242 2.275 . 0 0 "[ . 1 . 2]" 1
570 1 30 ASN HA 1 30 ASN HB2 2.900 . 2.900 2.929 2.898 2.953 0.053 2 0 "[ . 1 . 2]" 1
571 1 30 ASN HA 1 30 ASN QB 2.700 . 2.700 2.183 2.173 2.204 . 0 0 "[ . 1 . 2]" 1
572 1 30 ASN HA 1 31 THR H 2.400 . 2.400 2.431 2.398 2.457 0.057 7 0 "[ . 1 . 2]" 1
573 1 30 ASN HA 1 72 PHE CG 7.000 . 7.000 6.124 5.825 6.548 . 0 0 "[ . 1 . 2]" 1
574 1 30 ASN HB3 1 31 THR H 4.200 . 4.200 2.732 2.556 2.885 . 0 0 "[ . 1 . 2]" 1
575 1 30 ASN HB2 1 31 THR H 4.200 . 4.200 2.930 2.744 3.058 . 0 0 "[ . 1 . 2]" 1
576 1 30 ASN QB 1 31 THR H 3.800 . 3.800 2.509 2.413 2.628 . 0 0 "[ . 1 . 2]" 1
577 1 30 ASN QB 1 31 THR HA 4.500 . 4.500 3.994 3.956 4.060 . 0 0 "[ . 1 . 2]" 1
578 1 30 ASN QB 1 72 PHE CG 7.100 . 7.100 3.616 3.408 4.113 . 0 0 "[ . 1 . 2]" 1
579 1 31 THR H 1 31 THR HB 4.100 . 4.100 3.240 3.128 3.339 . 0 0 "[ . 1 . 2]" 1
580 1 31 THR H 1 32 PHE H 4.400 . 4.400 4.449 4.437 4.466 0.066 16 0 "[ . 1 . 2]" 1
581 1 31 THR H 1 72 PHE HA 5.000 . 5.000 4.404 4.002 4.915 . 0 0 "[ . 1 . 2]" 1
582 1 31 THR H 1 72 PHE QB 5.900 . 5.900 4.220 3.936 4.466 . 0 0 "[ . 1 . 2]" 1
583 1 31 THR H 1 72 PHE CG 7.000 . 7.000 4.587 4.199 4.892 . 0 0 "[ . 1 . 2]" 1
584 1 31 THR HA 1 32 PHE H 2.400 . 2.400 2.350 2.286 2.428 0.028 2 0 "[ . 1 . 2]" 1
585 1 31 THR HA 1 72 PHE CG 7.000 . 7.000 5.401 5.011 5.605 . 0 0 "[ . 1 . 2]" 1
586 1 31 THR HA 1 72 PHE CZ 7.100 . 7.100 4.870 4.284 5.473 . 0 0 "[ . 1 . 2]" 1
587 1 31 THR HB 1 32 PHE H 3.900 . 3.900 3.737 3.541 3.796 . 0 0 "[ . 1 . 2]" 1
588 1 31 THR HG1 1 32 PHE H 6.500 . 6.500 2.586 2.096 3.153 . 0 0 "[ . 1 . 2]" 1
589 1 31 THR HG1 1 72 PHE H 8.000 . 8.000 6.092 5.746 6.534 . 0 0 "[ . 1 . 2]" 1
590 1 32 PHE H 1 32 PHE HB3 3.400 . 3.400 2.572 2.498 2.668 . 0 0 "[ . 1 . 2]" 1
591 1 32 PHE H 1 32 PHE HB2 3.400 . 3.400 3.067 2.921 3.288 . 0 0 "[ . 1 . 2]" 1
592 1 32 PHE H 1 32 PHE QB 3.000 . 3.000 2.444 2.375 2.512 . 0 0 "[ . 1 . 2]" 1
593 1 32 PHE CZ 1 32 PHE H 6.900 . 6.900 6.866 6.760 6.932 0.032 19 0 "[ . 1 . 2]" 1
594 1 32 PHE H 1 47 THR HA 5.300 . 5.300 5.312 5.240 5.361 0.061 17 0 "[ . 1 . 2]" 1
595 1 32 PHE H 1 72 PHE HA 4.700 . 4.700 4.676 4.513 4.751 0.051 17 0 "[ . 1 . 2]" 1
596 1 32 PHE H 1 72 PHE CG 7.000 . 7.000 5.355 4.974 5.588 . 0 0 "[ . 1 . 2]" 1
597 1 32 PHE CZ 1 32 PHE HA 5.400 . 5.400 5.093 4.991 5.256 . 0 0 "[ . 1 . 2]" 1
598 1 32 PHE HA 1 33 ASN H 2.500 . 2.500 2.215 2.150 2.326 . 0 0 "[ . 1 . 2]" 1
599 1 32 PHE HA 1 33 ASN QD 5.800 . 5.800 5.212 4.064 5.719 . 0 0 "[ . 1 . 2]" 1
600 1 32 PHE HA 1 72 PHE H 4.900 . 4.900 4.700 4.506 4.812 . 0 0 "[ . 1 . 2]" 1
601 1 32 PHE HA 1 72 PHE CG 6.500 . 6.500 3.486 3.064 3.682 . 0 0 "[ . 1 . 2]" 1
602 1 32 PHE HA 1 72 PHE CZ 7.100 . 7.100 4.183 3.780 4.345 . 0 0 "[ . 1 . 2]" 1
603 1 32 PHE HA 1 72 PHE HZ 5.000 . 5.000 4.871 4.512 5.034 0.034 10 0 "[ . 1 . 2]" 1
604 1 32 PHE HB3 1 33 ASN H 4.200 . 4.200 4.038 3.864 4.229 0.029 2 0 "[ . 1 . 2]" 1
605 1 32 PHE HB2 1 33 ASN H 4.200 . 4.200 4.037 3.742 4.211 0.011 12 0 "[ . 1 . 2]" 1
606 1 32 PHE QB 1 33 ASN H 4.000 . 4.000 3.595 3.412 3.755 . 0 0 "[ . 1 . 2]" 1
607 1 32 PHE QB 1 72 PHE HA 5.900 . 5.900 3.999 3.460 4.409 . 0 0 "[ . 1 . 2]" 1
608 1 32 PHE CG 1 33 ASN H 7.000 . 7.000 3.078 2.713 3.443 . 0 0 "[ . 1 . 2]" 1
609 1 32 PHE CG 1 34 GLY H 6.700 . 6.700 3.666 3.154 4.327 . 0 0 "[ . 1 . 2]" 1
610 1 32 PHE CG 1 34 GLY QA 6.800 . 6.800 4.045 3.747 4.341 . 0 0 "[ . 1 . 2]" 1
611 1 32 PHE CG 1 35 ILE QG 8.000 . 8.000 5.214 4.903 6.221 . 0 0 "[ . 1 . 2]" 1
612 1 32 PHE CG 1 43 TYR CZ 9.000 . 9.000 7.034 6.075 8.200 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE CG 1 45 LYS QG 8.000 . 8.000 5.878 4.412 7.131 . 0 0 "[ . 1 . 2]" 1
614 1 32 PHE CG 1 50 VAL QG . . 7.400 4.502 3.674 5.450 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE CG 1 70 PHE H 9.600 . 9.600 7.070 6.751 7.280 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE CG 1 70 PHE HA 4.900 . 4.900 4.960 4.908 5.001 0.101 2 0 "[ . 1 . 2]" 1
617 1 32 PHE CG 1 70 PHE HB3 6.900 . 6.900 3.639 3.243 4.016 . 0 0 "[ . 1 . 2]" 1
618 1 32 PHE CG 1 70 PHE HB2 6.900 . 6.900 5.276 4.492 5.764 . 0 0 "[ . 1 . 2]" 1
619 1 32 PHE CG 1 70 PHE QB 6.400 . 6.400 3.577 3.172 3.944 . 0 0 "[ . 1 . 2]" 1
620 1 32 PHE CG 1 70 PHE CG 8.300 . 8.300 5.197 4.761 5.535 . 0 0 "[ . 1 . 2]" 1
621 1 32 PHE CG 1 71 ASP H 6.400 . 6.400 5.090 4.885 5.461 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE CG 1 72 PHE CG 9.000 . 9.000 5.074 4.672 5.401 . 0 0 "[ . 1 . 2]" 1
623 1 32 PHE CZ 1 33 ASN H 6.100 . 6.100 4.301 3.862 4.788 . 0 0 "[ . 1 . 2]" 1
624 1 32 PHE CZ 1 35 ILE MD 8.000 . 8.000 4.050 2.418 6.019 . 0 0 "[ . 1 . 2]" 1
625 1 32 PHE CZ 1 50 VAL QG 8.000 . 8.000 3.569 2.874 4.398 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE CZ 1 70 PHE CG 9.000 . 9.000 3.933 3.694 4.278 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE CZ 1 71 ASP H 7.000 . 7.000 3.984 3.777 4.836 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE CZ 1 72 PHE CG 9.000 . 9.000 6.843 6.467 7.269 . 0 0 "[ . 1 . 2]" 1
629 1 32 PHE CZ 1 72 PHE HZ 7.000 . 7.000 6.874 6.239 7.013 0.013 14 0 "[ . 1 . 2]" 1
630 1 32 PHE HZ 1 34 GLY H 5.000 . 5.000 3.737 3.283 4.051 . 0 0 "[ . 1 . 2]" 1
631 1 32 PHE HZ 1 34 GLY QA 4.800 . 4.800 2.261 1.933 2.606 . 0 0 "[ . 1 . 2]" 1
632 1 32 PHE HZ 1 35 ILE HB 5.000 . 5.000 4.124 2.534 4.560 . 0 0 "[ . 1 . 2]" 1
633 1 32 PHE HZ 1 35 ILE QG 5.200 . 5.200 2.093 1.787 3.325 0.013 11 0 "[ . 1 . 2]" 1
634 1 32 PHE HZ 1 35 ILE HG13 5.500 . 5.500 2.844 1.825 5.512 0.012 16 0 "[ . 1 . 2]" 1
635 1 32 PHE HZ 1 35 ILE HG12 5.500 . 5.500 3.197 1.807 5.505 0.005 8 0 "[ . 1 . 2]" 1
636 1 32 PHE HZ 1 35 ILE MD 5.600 . 5.600 3.323 1.786 5.298 0.014 6 0 "[ . 1 . 2]" 1
637 1 32 PHE HZ 1 43 TYR CZ 7.000 . 7.000 3.681 2.969 4.661 . 0 0 "[ . 1 . 2]" 1
638 1 32 PHE HZ 1 50 VAL QG 5.600 . 5.600 3.446 2.796 4.166 . 0 0 "[ . 1 . 2]" 1
639 1 32 PHE HZ 1 70 PHE HA 5.000 . 5.000 3.055 2.560 3.651 . 0 0 "[ . 1 . 2]" 1
640 1 32 PHE HZ 1 70 PHE CG 7.000 . 7.000 3.889 3.541 4.276 . 0 0 "[ . 1 . 2]" 1
641 1 32 PHE HZ 1 71 ASP H 5.400 . 5.400 4.014 3.614 5.004 . 0 0 "[ . 1 . 2]" 1
642 1 33 ASN H 1 33 ASN HB3 3.400 . 3.400 3.165 2.910 3.489 0.089 7 0 "[ . 1 . 2]" 1
643 1 33 ASN H 1 33 ASN HB2 3.400 . 3.400 2.426 2.214 2.611 . 0 0 "[ . 1 . 2]" 1
644 1 33 ASN H 1 33 ASN QB 3.200 . 3.200 2.342 2.185 2.438 . 0 0 "[ . 1 . 2]" 1
645 1 33 ASN H 1 34 GLY H 2.700 . 2.700 2.179 2.002 2.653 . 0 0 "[ . 1 . 2]" 1
646 1 33 ASN H 1 71 ASP H 4.500 . 4.500 4.078 3.720 4.420 . 0 0 "[ . 1 . 2]" 1
647 1 33 ASN H 1 71 ASP QB 5.900 . 5.900 3.306 3.015 3.826 . 0 0 "[ . 1 . 2]" 1
648 1 33 ASN H 1 72 PHE HA 3.400 . 3.400 3.275 2.868 3.422 0.022 19 0 "[ . 1 . 2]" 1
649 1 33 ASN H 1 72 PHE CG 7.000 . 7.000 5.137 4.636 5.316 . 0 0 "[ . 1 . 2]" 1
650 1 33 ASN H 1 72 PHE HZ 7.300 . 7.300 6.763 6.295 7.025 . 0 0 "[ . 1 . 2]" 1
651 1 33 ASN HA 1 33 ASN HD22 5.000 . 5.000 3.962 3.270 4.358 . 0 0 "[ . 1 . 2]" 1
652 1 33 ASN HB3 1 34 GLY H 5.000 . 5.000 2.756 2.173 3.427 . 0 0 "[ . 1 . 2]" 1
653 1 33 ASN HB2 1 34 GLY H 5.000 . 5.000 3.233 2.660 3.609 . 0 0 "[ . 1 . 2]" 1
654 1 33 ASN HD21 1 73 GLY HA3 7.200 . 7.200 5.149 4.032 7.026 . 0 0 "[ . 1 . 2]" 1
655 1 33 ASN HD21 1 73 GLY HA2 7.200 . 7.200 4.961 3.508 7.202 0.002 7 0 "[ . 1 . 2]" 1
656 1 33 ASN HD22 1 73 GLY HA3 7.200 . 7.200 6.245 5.262 6.972 . 0 0 "[ . 1 . 2]" 1
657 1 33 ASN HD22 1 73 GLY HA2 7.200 . 7.200 6.055 4.935 6.878 . 0 0 "[ . 1 . 2]" 1
658 1 33 ASN QD 1 72 PHE HA 5.900 . 5.900 5.347 4.451 5.921 0.021 7 0 "[ . 1 . 2]" 1
659 1 33 ASN QD 1 73 GLY QA 6.200 . 6.200 4.233 3.227 5.153 . 0 0 "[ . 1 . 2]" 1
660 1 34 GLY H 1 71 ASP H 4.000 . 4.000 2.933 2.482 3.430 . 0 0 "[ . 1 . 2]" 1
661 1 34 GLY HA3 1 35 ILE H 3.400 . 3.400 2.728 2.504 2.955 . 0 0 "[ . 1 . 2]" 1
662 1 34 GLY HA2 1 35 ILE H 3.400 . 3.400 2.426 2.245 2.671 . 0 0 "[ . 1 . 2]" 1
663 1 34 GLY QA 1 35 ILE H 3.000 . 3.000 2.256 2.180 2.307 . 0 0 "[ . 1 . 2]" 1
664 1 34 GLY QA 1 43 TYR CZ 7.900 . 7.900 3.772 3.251 4.442 . 0 0 "[ . 1 . 2]" 1
665 1 35 ILE H 1 35 ILE HB 2.800 . 2.800 2.835 2.588 3.112 0.312 15 0 "[ . 1 . 2]" 1
666 1 35 ILE H 1 35 ILE HG13 4.300 . 4.300 2.738 1.880 4.498 0.198 8 0 "[ . 1 . 2]" 1
667 1 35 ILE H 1 35 ILE HG12 4.300 . 4.300 3.491 1.851 4.481 0.181 16 0 "[ . 1 . 2]" 1
668 1 35 ILE H 1 36 SER H 4.600 . 4.600 4.006 3.771 4.146 . 0 0 "[ . 1 . 2]" 1
669 1 35 ILE HA 1 36 SER H 2.600 . 2.600 2.185 2.115 2.259 . 0 0 "[ . 1 . 2]" 1
670 1 35 ILE HA 1 37 GLU H 4.000 . 4.000 3.511 3.201 3.966 . 0 0 "[ . 1 . 2]" 1
671 1 35 ILE HA 1 70 PHE CG 7.000 . 7.000 5.390 5.080 5.632 . 0 0 "[ . 1 . 2]" 1
672 1 35 ILE HA 1 71 ASP H 3.100 . 3.100 3.060 2.865 3.171 0.071 4 0 "[ . 1 . 2]" 1
673 1 35 ILE HB 1 36 SER H 4.200 . 4.200 4.279 4.209 4.418 0.218 3 0 "[ . 1 . 2]" 1
674 1 35 ILE QG 1 36 SER H . . 4.200 3.264 3.057 3.850 . 0 0 "[ . 1 . 2]" 1
675 1 35 ILE QG 1 38 LEU QD . . 6.400 2.171 1.781 3.839 0.019 1 0 "[ . 1 . 2]" 1
676 1 35 ILE QG 1 43 TYR CZ 8.800 . 8.800 2.654 2.068 4.232 . 0 0 "[ . 1 . 2]" 1
677 1 35 ILE QG 1 50 VAL QG . . 5.800 3.292 2.640 3.916 . 0 0 "[ . 1 . 2]" 1
678 1 35 ILE QG 1 52 LEU QD 7.700 . 7.700 4.623 3.876 5.100 . 0 0 "[ . 1 . 2]" 1
679 1 35 ILE QG 1 68 LEU QD . . 7.500 2.751 1.791 4.042 0.009 17 0 "[ . 1 . 2]" 1
680 1 35 ILE QG 1 70 PHE CG . . 7.900 3.227 2.759 4.583 . 0 0 "[ . 1 . 2]" 1
681 1 35 ILE QG 1 70 PHE CZ 7.800 . 7.800 3.741 3.301 4.647 . 0 0 "[ . 1 . 2]" 1
682 1 35 ILE QG 1 70 PHE HZ 5.000 . 5.000 4.211 3.621 4.868 . 0 0 "[ . 1 . 2]" 1
683 1 35 ILE HG13 1 38 LEU HB3 7.800 . 7.800 6.906 4.766 7.825 0.025 19 0 "[ . 1 . 2]" 1
684 1 35 ILE HG13 1 38 LEU HB2 7.800 . 7.800 5.983 3.066 7.387 . 0 0 "[ . 1 . 2]" 1
685 1 35 ILE HG13 1 38 LEU QD 8.300 . 8.300 3.627 2.331 4.490 . 0 0 "[ . 1 . 2]" 1
686 1 35 ILE HG13 1 43 TYR CZ 7.000 . 7.000 3.342 2.424 6.187 . 0 0 "[ . 1 . 2]" 1
687 1 35 ILE HG12 1 38 LEU HB3 7.800 . 7.800 7.103 4.465 7.836 0.036 7 0 "[ . 1 . 2]" 1
688 1 35 ILE HG12 1 38 LEU HB2 7.800 . 7.800 6.404 3.447 7.819 0.019 1 0 "[ . 1 . 2]" 1
689 1 35 ILE HG12 1 38 LEU QD 8.300 . 8.300 3.777 2.524 4.672 . 0 0 "[ . 1 . 2]" 1
690 1 35 ILE HG12 1 43 TYR CZ 7.000 . 7.000 4.451 2.421 5.419 . 0 0 "[ . 1 . 2]" 1
691 1 35 ILE QG 1 37 GLU H 4.200 . 4.200 2.705 2.136 3.569 . 0 0 "[ . 1 . 2]" 1
692 1 35 ILE QG 1 38 LEU H 4.300 . 4.300 2.586 1.961 3.351 . 0 0 "[ . 1 . 2]" 1
693 1 35 ILE QG 1 38 LEU QB 6.400 . 6.400 3.636 2.520 4.321 . 0 0 "[ . 1 . 2]" 1
694 1 35 ILE QG 1 38 LEU HG 3.900 . 3.900 2.209 1.766 3.652 0.034 8 0 "[ . 1 . 2]" 1
695 1 35 ILE QG 1 43 TYR CG 7.900 . 7.900 4.174 2.972 5.039 . 0 0 "[ . 1 . 2]" 1
696 1 35 ILE QG 1 68 LEU QB 5.800 . 5.800 2.939 1.940 3.506 . 0 0 "[ . 1 . 2]" 1
697 1 35 ILE QG 1 69 THR H 6.000 . 6.000 2.176 1.777 3.226 0.023 9 0 "[ . 1 . 2]" 1
698 1 35 ILE QG 1 70 PHE H 5.900 . 5.900 3.414 2.808 4.350 . 0 0 "[ . 1 . 2]" 1
699 1 35 ILE QG 1 71 ASP H 5.900 . 5.900 3.639 3.145 4.419 . 0 0 "[ . 1 . 2]" 1
700 1 35 ILE MD 1 36 SER H 6.400 . 6.400 5.099 3.177 5.612 . 0 0 "[ . 1 . 2]" 1
701 1 35 ILE MD 1 43 TYR CZ 9.000 . 9.000 3.440 2.296 5.576 . 0 0 "[ . 1 . 2]" 1
702 1 35 ILE MD 1 70 PHE CG 9.000 . 9.000 3.400 2.258 5.328 . 0 0 "[ . 1 . 2]" 1
703 1 35 ILE MD 1 70 PHE CZ 9.000 . 9.000 3.070 2.200 5.851 . 0 0 "[ . 1 . 2]" 1
704 1 35 ILE MD 1 70 PHE HZ 7.000 . 7.000 3.433 2.434 6.261 . 0 0 "[ . 1 . 2]" 1
705 1 36 SER H 1 36 SER HA 2.900 . 2.900 2.828 2.784 2.875 . 0 0 "[ . 1 . 2]" 1
706 1 36 SER H 1 37 GLU H 3.100 . 3.100 2.668 2.398 2.927 . 0 0 "[ . 1 . 2]" 1
707 1 36 SER H 1 38 LEU H 6.000 . 6.000 4.078 3.912 4.344 . 0 0 "[ . 1 . 2]" 1
708 1 36 SER H 1 69 THR H 5.300 . 5.300 5.317 5.098 5.420 0.120 9 0 "[ . 1 . 2]" 1
709 1 36 SER H 1 69 THR HB 4.700 . 4.700 4.614 4.044 4.782 0.082 8 0 "[ . 1 . 2]" 1
710 1 36 SER H 1 69 THR HG1 6.000 . 6.000 4.634 3.990 5.516 . 0 0 "[ . 1 . 2]" 1
711 1 36 SER H 1 70 PHE HA 4.900 . 4.900 4.948 4.735 5.029 0.129 2 0 "[ . 1 . 2]" 1
712 1 36 SER H 1 71 ASP QB 5.900 . 5.900 3.992 3.588 4.880 . 0 0 "[ . 1 . 2]" 1
713 1 36 SER HA 1 37 GLU H 3.500 . 3.500 3.488 3.384 3.563 0.063 8 0 "[ . 1 . 2]" 1
714 1 36 SER HA 1 38 LEU H 3.600 . 3.600 3.500 3.400 3.616 0.016 10 0 "[ . 1 . 2]" 1
715 1 36 SER HA 1 39 GLN H 4.000 . 4.000 4.157 4.104 4.207 0.207 13 0 "[ . 1 . 2]" 1
716 1 36 SER HA 1 39 GLN HB3 6.400 . 6.400 5.407 4.595 6.008 . 0 0 "[ . 1 . 2]" 1
717 1 36 SER HA 1 39 GLN HB2 6.400 . 6.400 5.674 4.748 6.144 . 0 0 "[ . 1 . 2]" 1
718 1 36 SER HA 1 39 GLN QB 5.900 . 5.900 4.834 4.416 5.180 . 0 0 "[ . 1 . 2]" 1
719 1 36 SER QB 1 37 GLU H 4.400 . 4.400 3.057 2.547 3.613 . 0 0 "[ . 1 . 2]" 1
720 1 37 GLU H 1 37 GLU HA 2.900 . 2.900 2.745 2.678 2.801 . 0 0 "[ . 1 . 2]" 1
721 1 37 GLU H 1 37 GLU HB3 2.900 . 2.900 2.872 2.112 3.295 0.395 2 0 "[ . 1 . 2]" 1
722 1 37 GLU H 1 37 GLU HB2 2.900 . 2.900 2.499 2.008 3.345 0.445 8 0 "[ . 1 . 2]" 1
723 1 37 GLU H 1 37 GLU QB 2.700 . 2.700 2.226 1.981 2.778 0.078 2 0 "[ . 1 . 2]" 1
724 1 37 GLU H 1 38 LEU H 3.000 . 3.000 2.642 2.478 2.827 . 0 0 "[ . 1 . 2]" 1
725 1 37 GLU H 1 39 GLN H 6.000 . 6.000 5.579 5.350 5.759 . 0 0 "[ . 1 . 2]" 1
726 1 37 GLU H 1 68 LEU QD 7.600 . 7.600 6.054 4.865 6.740 . 0 0 "[ . 1 . 2]" 1
727 1 37 GLU H 1 69 THR H 5.000 . 5.000 3.948 3.628 4.335 . 0 0 "[ . 1 . 2]" 1
728 1 37 GLU H 1 69 THR HB 5.500 . 5.500 3.731 3.120 4.716 . 0 0 "[ . 1 . 2]" 1
729 1 37 GLU HA 1 39 GLN H 6.000 . 6.000 5.288 4.805 5.683 . 0 0 "[ . 1 . 2]" 1
730 1 37 GLU QB 1 39 GLN H 7.500 . 7.500 5.702 5.503 5.933 . 0 0 "[ . 1 . 2]" 1
731 1 38 LEU H 1 38 LEU HB3 3.700 . 3.700 3.658 3.128 3.876 0.176 3 0 "[ . 1 . 2]" 1
732 1 38 LEU H 1 38 LEU HB2 3.700 . 3.700 3.586 2.763 3.868 0.168 1 0 "[ . 1 . 2]" 1
733 1 38 LEU H 1 38 LEU QB 3.200 . 3.200 3.196 2.702 3.291 0.091 5 0 "[ . 1 . 2]" 1
734 1 38 LEU H 1 38 LEU HG 3.400 . 3.400 2.349 2.065 3.407 0.007 16 0 "[ . 1 . 2]" 1
735 1 38 LEU H 1 43 TYR CZ 7.000 . 7.000 6.105 4.699 6.639 . 0 0 "[ . 1 . 2]" 1
736 1 38 LEU H 1 68 LEU QD 7.600 . 7.600 5.256 4.161 6.261 . 0 0 "[ . 1 . 2]" 1
737 1 38 LEU HA 1 39 GLN H 3.500 . 3.500 2.227 2.130 2.384 . 0 0 "[ . 1 . 2]" 1
738 1 38 LEU HB3 1 39 GLN H 4.400 . 4.400 4.286 3.791 4.507 0.107 1 0 "[ . 1 . 2]" 1
739 1 38 LEU HB3 1 57 LEU QD 6.500 . 6.500 4.994 4.408 6.071 . 0 0 "[ . 1 . 2]" 1
740 1 38 LEU HB2 1 39 GLN H 4.400 . 4.400 4.048 3.840 4.359 . 0 0 "[ . 1 . 2]" 1
741 1 38 LEU HB2 1 57 LEU QD 6.500 . 6.500 5.226 4.674 6.327 . 0 0 "[ . 1 . 2]" 1
742 1 38 LEU QB 1 39 GLN H 4.100 . 4.100 3.691 3.570 3.830 . 0 0 "[ . 1 . 2]" 1
743 1 38 LEU QB 1 43 TYR CG 7.600 . 7.600 5.265 4.205 5.905 . 0 0 "[ . 1 . 2]" 1
744 1 38 LEU QB 1 43 TYR CZ 6.800 . 6.800 5.525 4.340 6.442 . 0 0 "[ . 1 . 2]" 1
745 1 38 LEU QB 1 52 LEU QD 7.500 . 7.500 5.168 3.830 6.209 . 0 0 "[ . 1 . 2]" 1
746 1 38 LEU QB 1 57 LEU QD 5.500 . 5.500 4.537 4.053 5.514 0.014 12 0 "[ . 1 . 2]" 1
747 1 38 LEU QB 1 60 LEU H 7.400 . 7.400 7.484 7.421 7.606 0.206 15 0 "[ . 1 . 2]" 1
748 1 38 LEU QB 1 60 LEU QD 8.200 . 8.200 3.849 3.299 5.880 . 0 0 "[ . 1 . 2]" 1
749 1 38 LEU HG 1 39 GLN H 5.400 . 5.400 4.915 4.454 5.483 0.083 16 0 "[ . 1 . 2]" 1
750 1 38 LEU HG 1 43 TYR CG 7.000 . 7.000 6.018 4.083 7.046 0.046 12 0 "[ . 1 . 2]" 1
751 1 38 LEU HG 1 43 TYR CZ 7.000 . 7.000 5.529 3.855 7.029 0.029 16 0 "[ . 1 . 2]" 1
752 1 38 LEU HG 1 60 LEU QD 7.100 . 7.100 5.751 3.706 7.183 0.083 3 0 "[ . 1 . 2]" 1
753 1 38 LEU QD 1 39 GLN H 6.000 . 6.000 4.426 3.566 4.607 . 0 0 "[ . 1 . 2]" 1
754 1 38 LEU QD 1 42 GLN HB3 8.000 . 8.000 3.298 2.074 4.920 . 0 0 "[ . 1 . 2]" 1
755 1 38 LEU QD 1 42 GLN HB2 8.000 . 8.000 2.958 1.869 4.241 . 0 0 "[ . 1 . 2]" 1
756 1 38 LEU QD 1 42 GLN QG . . 7.600 2.752 1.786 3.414 0.014 7 0 "[ . 1 . 2]" 1
757 1 38 LEU QD 1 42 GLN HE21 9.100 . 9.100 4.470 3.062 5.589 . 0 0 "[ . 1 . 2]" 1
758 1 38 LEU QD 1 42 GLN HE22 9.100 . 9.100 4.972 2.519 6.240 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU QD 1 43 TYR HB3 9.100 . 9.100 3.572 2.163 5.039 . 0 0 "[ . 1 . 2]" 1
760 1 38 LEU QD 1 43 TYR HB2 9.100 . 9.100 4.782 3.602 6.410 . 0 0 "[ . 1 . 2]" 1
761 1 38 LEU QD 1 43 TYR CG . . 7.500 3.831 3.059 5.688 . 0 0 "[ . 1 . 2]" 1
762 1 38 LEU QD 1 43 TYR CZ 8.000 . 8.000 4.130 3.054 6.113 . 0 0 "[ . 1 . 2]" 1
763 1 38 LEU QD 1 56 TYR CG 8.000 . 8.000 4.487 3.102 5.335 . 0 0 "[ . 1 . 2]" 1
764 1 38 LEU QD 1 56 TYR CZ . . 7.500 3.561 2.652 4.874 . 0 0 "[ . 1 . 2]" 1
765 1 38 LEU QD 1 68 LEU QD . . 7.400 1.993 1.779 3.127 0.021 19 0 "[ . 1 . 2]" 1
766 1 38 LEU QD 1 42 GLN H 7.600 . 7.600 4.492 3.594 5.430 . 0 0 "[ . 1 . 2]" 1
767 1 38 LEU QD 1 42 GLN QB 6.800 . 6.800 2.696 1.774 4.005 0.026 1 0 "[ . 1 . 2]" 1
768 1 38 LEU QD 1 42 GLN QE 7.500 . 7.500 4.120 2.425 5.193 . 0 0 "[ . 1 . 2]" 1
769 1 38 LEU QD 1 43 TYR H 7.600 . 7.600 4.234 2.958 5.504 . 0 0 "[ . 1 . 2]" 1
770 1 38 LEU QD 1 43 TYR HA 7.600 . 7.600 5.097 3.708 6.298 . 0 0 "[ . 1 . 2]" 1
771 1 38 LEU QD 1 43 TYR QB 7.300 . 7.300 3.474 2.147 4.864 . 0 0 "[ . 1 . 2]" 1
772 1 38 LEU QD 1 52 LEU QD 7.600 . 7.600 3.378 1.850 5.078 . 0 0 "[ . 1 . 2]" 1
773 1 39 GLN H 1 39 GLN HB3 4.100 . 4.100 3.186 2.610 3.584 . 0 0 "[ . 1 . 2]" 1
774 1 39 GLN H 1 39 GLN HB2 4.100 . 4.100 2.907 2.389 3.610 . 0 0 "[ . 1 . 2]" 1
775 1 39 GLN H 1 39 GLN QB 3.700 . 3.700 2.617 2.256 2.842 . 0 0 "[ . 1 . 2]" 1
776 1 39 GLN H 1 39 GLN QG 4.000 . 4.000 2.523 1.893 4.001 0.001 7 0 "[ . 1 . 2]" 1
777 1 39 GLN H 1 40 SER H 3.500 . 3.500 3.888 3.846 3.925 0.425 16 0 "[ . 1 . 2]" 1
778 1 39 GLN H 1 41 SER H 6.000 . 6.000 5.364 5.271 5.473 . 0 0 "[ . 1 . 2]" 1
779 1 39 GLN HA 1 42 GLN HB3 6.900 . 6.900 6.313 5.234 6.992 0.092 17 0 "[ . 1 . 2]" 1
780 1 39 GLN HA 1 42 GLN HB2 6.900 . 6.900 6.178 5.064 7.061 0.161 13 0 "[ . 1 . 2]" 1
781 1 39 GLN HA 1 42 GLN QB 6.600 . 6.600 5.335 4.917 5.769 . 0 0 "[ . 1 . 2]" 1
782 1 39 GLN HB3 1 40 SER H 4.300 2.800 4.300 4.044 3.772 4.336 0.036 7 0 "[ . 1 . 2]" 1
783 1 39 GLN HB2 1 40 SER H 4.300 . 4.300 4.209 3.833 4.336 0.036 7 0 "[ . 1 . 2]" 1
784 1 39 GLN QB 1 40 SER H 4.900 2.700 4.900 3.654 3.534 3.863 . 0 0 "[ . 1 . 2]" 1
785 1 39 GLN QB 1 41 SER H 4.500 . 4.500 3.341 3.068 3.853 . 0 0 "[ . 1 . 2]" 1
786 1 39 GLN QG 1 40 SER H 5.200 . 5.200 4.135 3.248 4.796 . 0 0 "[ . 1 . 2]" 1
787 1 39 GLN QG 1 41 SER H 5.900 . 5.900 4.304 2.544 5.269 . 0 0 "[ . 1 . 2]" 1
788 1 40 SER H 1 40 SER HA 2.900 . 2.900 2.436 2.366 2.496 . 0 0 "[ . 1 . 2]" 1
789 1 40 SER H 1 41 SER H 3.200 . 3.200 3.383 3.314 3.474 0.274 8 0 "[ . 1 . 2]" 1
790 1 40 SER H 1 42 GLN H 4.500 . 4.500 4.197 4.081 4.268 . 0 0 "[ . 1 . 2]" 1
791 1 40 SER HA 1 42 GLN H 3.600 . 3.600 3.613 3.502 3.705 0.105 8 0 "[ . 1 . 2]" 1
792 1 40 SER HA 1 43 TYR H 3.900 . 3.900 3.432 3.156 3.804 . 0 0 "[ . 1 . 2]" 1
793 1 40 SER HA 1 43 TYR CG 7.000 . 7.000 3.573 3.187 3.821 . 0 0 "[ . 1 . 2]" 1
794 1 40 SER HA 1 43 TYR CZ 6.100 . 6.100 2.412 2.202 2.930 . 0 0 "[ . 1 . 2]" 1
795 1 41 SER H 1 41 SER HA 2.800 . 2.800 2.756 2.743 2.786 . 0 0 "[ . 1 . 2]" 1
796 1 41 SER H 1 41 SER HB3 3.300 . 3.300 2.661 2.093 3.299 . 0 0 "[ . 1 . 2]" 1
797 1 41 SER H 1 41 SER HB2 3.300 . 3.300 2.829 2.091 3.302 0.002 6 0 "[ . 1 . 2]" 1
798 1 41 SER H 1 41 SER QB 3.000 . 3.000 2.222 2.069 2.938 . 0 0 "[ . 1 . 2]" 1
799 1 41 SER H 1 42 GLN H 2.900 . 2.900 2.768 2.727 2.828 . 0 0 "[ . 1 . 2]" 1
800 1 41 SER HA 1 41 SER HB3 2.900 . 2.900 2.803 2.239 2.966 0.066 1 0 "[ . 1 . 2]" 1
801 1 41 SER HA 1 41 SER HB2 2.900 . 2.900 2.519 2.244 2.879 . 0 0 "[ . 1 . 2]" 1
802 1 41 SER HA 1 43 TYR H 3.800 . 3.800 3.845 3.633 3.915 0.115 8 0 "[ . 1 . 2]" 1
803 1 42 GLN H 1 42 GLN HA 2.900 . 2.900 2.789 2.751 2.817 . 0 0 "[ . 1 . 2]" 1
804 1 42 GLN H 1 42 GLN HB3 3.300 . 3.300 2.960 2.015 3.483 0.183 19 0 "[ . 1 . 2]" 1
805 1 42 GLN H 1 42 GLN HB2 3.300 . 3.300 2.850 2.200 3.488 0.188 13 0 "[ . 1 . 2]" 1
806 1 42 GLN H 1 42 GLN QB 3.000 . 3.000 2.326 1.999 2.707 . 0 0 "[ . 1 . 2]" 1
807 1 42 GLN H 1 42 GLN HG3 3.500 . 3.500 3.329 1.791 3.723 0.223 8 0 "[ . 1 . 2]" 1
808 1 42 GLN H 1 42 GLN HG2 3.500 . 3.500 2.919 1.928 3.732 0.232 13 0 "[ . 1 . 2]" 1
809 1 42 GLN H 1 42 GLN QG 3.100 . 3.100 2.575 1.784 3.156 0.056 3 0 "[ . 1 . 2]" 1
810 1 42 GLN H 1 43 TYR H 2.800 . 2.800 2.566 2.457 2.668 . 0 0 "[ . 1 . 2]" 1
811 1 42 GLN H 1 43 TYR CG 6.700 . 6.700 4.956 4.699 5.259 . 0 0 "[ . 1 . 2]" 1
812 1 42 GLN H 1 43 TYR CZ 7.000 . 7.000 5.547 4.928 6.080 . 0 0 "[ . 1 . 2]" 1
813 1 42 GLN H 1 53 LEU QD 7.600 . 7.600 5.473 4.495 6.471 . 0 0 "[ . 1 . 2]" 1
814 1 42 GLN HA 1 42 GLN HE21 5.000 . 5.000 3.620 1.852 4.839 . 0 0 "[ . 1 . 2]" 1
815 1 42 GLN HA 1 42 GLN HE22 5.000 . 5.000 4.253 2.922 5.071 0.071 2 0 "[ . 1 . 2]" 1
816 1 42 GLN HA 1 43 TYR H 3.400 . 3.400 3.438 3.345 3.465 0.065 3 0 "[ . 1 . 2]" 1
817 1 42 GLN HA 1 56 TYR CG 7.000 . 7.000 3.343 2.577 4.359 . 0 0 "[ . 1 . 2]" 1
818 1 42 GLN HB3 1 42 GLN HE22 5.500 . 5.500 4.804 3.983 5.289 . 0 0 "[ . 1 . 2]" 1
819 1 42 GLN HB3 1 43 TYR H 4.000 . 4.000 3.756 3.454 4.179 0.179 2 0 "[ . 1 . 2]" 1
820 1 42 GLN HB2 1 42 GLN HE22 5.500 . 5.500 4.470 3.201 5.358 . 0 0 "[ . 1 . 2]" 1
821 1 42 GLN HB2 1 43 TYR H 4.000 . 4.000 3.267 2.639 4.129 0.129 7 0 "[ . 1 . 2]" 1
822 1 42 GLN QB 1 43 TYR H 3.800 . 3.800 2.968 2.575 3.676 . 0 0 "[ . 1 . 2]" 1
823 1 42 GLN QB 1 66 LYS QD 7.800 . 7.800 5.496 4.826 6.486 . 0 0 "[ . 1 . 2]" 1
824 1 42 GLN HG3 1 43 TYR H 5.000 . 5.000 4.062 2.075 5.114 0.114 9 0 "[ . 1 . 2]" 1
825 1 42 GLN HG3 1 66 LYS HD3 7.200 . 7.200 6.685 5.663 7.304 0.104 15 0 "[ . 1 . 2]" 1
826 1 42 GLN HG3 1 66 LYS HD2 7.200 . 7.200 6.471 5.040 7.257 0.057 5 0 "[ . 1 . 2]" 1
827 1 42 GLN HG2 1 43 TYR H 5.000 . 5.000 4.091 3.431 5.021 0.021 3 0 "[ . 1 . 2]" 1
828 1 42 GLN HG2 1 66 LYS HD3 7.200 . 7.200 6.706 5.666 7.278 0.078 4 0 "[ . 1 . 2]" 1
829 1 42 GLN HG2 1 66 LYS HD2 7.200 . 7.200 6.465 4.825 7.254 0.054 17 0 "[ . 1 . 2]" 1
830 1 42 GLN QG 1 43 TYR CG 7.500 . 7.500 4.724 2.781 6.203 . 0 0 "[ . 1 . 2]" 1
831 1 42 GLN QG 1 43 TYR CZ 7.100 . 7.100 5.390 3.908 7.098 . 0 0 "[ . 1 . 2]" 1
832 1 42 GLN QG 1 66 LYS QD 6.100 . 6.100 5.055 4.462 5.643 . 0 0 "[ . 1 . 2]" 1
833 1 42 GLN QE 1 56 TYR CZ 7.900 . 7.900 4.937 3.220 6.713 . 0 0 "[ . 1 . 2]" 1
834 1 43 TYR H 1 43 TYR HB3 3.900 . 3.900 3.211 3.030 3.430 . 0 0 "[ . 1 . 2]" 1
835 1 43 TYR H 1 43 TYR HB2 3.900 . 3.900 3.774 3.695 3.872 . 0 0 "[ . 1 . 2]" 1
836 1 43 TYR CG 1 43 TYR H 4.500 . 4.500 2.799 2.677 2.989 . 0 0 "[ . 1 . 2]" 1
837 1 43 TYR CZ 1 43 TYR H 6.000 . 6.000 4.422 4.164 4.675 . 0 0 "[ . 1 . 2]" 1
838 1 43 TYR H 1 44 THR H 4.700 . 4.700 4.310 4.226 4.352 . 0 0 "[ . 1 . 2]" 1
839 1 43 TYR H 1 52 LEU HA 5.000 . 5.000 4.905 4.586 5.105 0.105 8 0 "[ . 1 . 2]" 1
840 1 43 TYR H 1 53 LEU QD . . 5.700 4.296 3.321 5.497 . 0 0 "[ . 1 . 2]" 1
841 1 43 TYR HA 1 43 TYR HB3 2.800 . 2.800 2.403 2.319 2.468 . 0 0 "[ . 1 . 2]" 1
842 1 43 TYR HA 1 43 TYR HB2 2.800 . 2.800 2.491 2.418 2.607 . 0 0 "[ . 1 . 2]" 1
843 1 43 TYR HA 1 44 THR H 2.500 . 2.500 2.643 2.596 2.719 0.219 8 0 "[ . 1 . 2]" 1
844 1 43 TYR HA 1 52 LEU HA 4.100 . 4.100 2.607 2.177 3.048 . 0 0 "[ . 1 . 2]" 1
845 1 43 TYR HA 1 53 LEU H 3.300 . 3.300 2.542 2.368 2.865 . 0 0 "[ . 1 . 2]" 1
846 1 43 TYR HA 1 53 LEU QB 6.000 . 6.000 3.284 2.083 4.512 . 0 0 "[ . 1 . 2]" 1
847 1 43 TYR HA 1 53 LEU HG 5.000 . 5.000 3.380 1.920 4.399 . 0 0 "[ . 1 . 2]" 1
848 1 43 TYR HA 1 53 LEU QD 6.400 . 6.400 2.911 1.792 4.087 0.008 12 0 "[ . 1 . 2]" 1
849 1 43 TYR HB3 1 44 THR H 3.500 . 3.500 3.348 3.195 3.453 . 0 0 "[ . 1 . 2]" 1
850 1 43 TYR HB3 1 52 LEU QD 8.000 . 8.000 3.071 1.898 4.004 . 0 0 "[ . 1 . 2]" 1
851 1 43 TYR HB2 1 44 THR H 3.500 . 3.500 1.823 1.789 1.911 0.011 17 0 "[ . 1 . 2]" 1
852 1 43 TYR HB2 1 52 LEU QD 8.000 . 8.000 3.437 2.488 4.023 . 0 0 "[ . 1 . 2]" 1
853 1 43 TYR QB 1 44 THR H 3.200 . 3.200 1.815 1.780 1.902 0.020 17 0 "[ . 1 . 2]" 1
854 1 43 TYR QB 1 52 LEU QD 6.300 . 6.300 2.810 1.841 3.441 . 0 0 "[ . 1 . 2]" 1
855 1 43 TYR QB 1 53 LEU H 6.200 . 6.200 3.365 2.761 3.811 . 0 0 "[ . 1 . 2]" 1
856 1 43 TYR QB 1 53 LEU HA 6.600 . 6.600 5.524 4.985 5.975 . 0 0 "[ . 1 . 2]" 1
857 1 43 TYR CG 1 44 THR H 6.600 . 6.600 3.359 2.993 3.619 . 0 0 "[ . 1 . 2]" 1
858 1 43 TYR CG 1 45 LYS HA 7.000 . 7.000 5.062 4.911 5.332 . 0 0 "[ . 1 . 2]" 1
859 1 43 TYR CG 1 45 LYS QG 7.100 . 7.100 4.815 3.433 6.719 . 0 0 "[ . 1 . 2]" 1
860 1 43 TYR CG 1 50 VAL HA 7.000 . 7.000 5.485 4.814 6.169 . 0 0 "[ . 1 . 2]" 1
861 1 43 TYR CG 1 50 VAL HB 5.500 . 5.500 5.053 4.391 5.514 0.014 16 0 "[ . 1 . 2]" 1
862 1 43 TYR CG 1 50 VAL QG . . 7.500 2.758 2.354 3.462 . 0 0 "[ . 1 . 2]" 1
863 1 43 TYR CG 1 52 LEU HA 7.000 . 7.000 4.153 3.841 4.388 . 0 0 "[ . 1 . 2]" 1
864 1 43 TYR CZ 1 44 THR H 7.000 . 7.000 5.706 5.189 6.129 . 0 0 "[ . 1 . 2]" 1
865 1 43 TYR CZ 1 45 LYS QG 7.300 . 7.300 4.135 2.694 6.125 . 0 0 "[ . 1 . 2]" 1
866 1 43 TYR CZ 1 50 VAL HB 7.000 . 7.000 5.454 4.182 6.260 . 0 0 "[ . 1 . 2]" 1
867 1 43 TYR CZ 1 50 VAL QG 8.000 . 8.000 3.197 2.715 3.677 . 0 0 "[ . 1 . 2]" 1
868 1 44 THR H 1 44 THR HB 3.000 . 3.000 2.917 2.650 3.079 0.079 16 0 "[ . 1 . 2]" 1
869 1 44 THR H 1 45 LYS H 3.500 . 3.500 3.655 3.617 3.696 0.196 14 0 "[ . 1 . 2]" 1
870 1 44 THR H 1 50 VAL HA 5.500 . 5.500 4.413 4.017 4.806 . 0 0 "[ . 1 . 2]" 1
871 1 44 THR H 1 50 VAL HB 5.500 . 5.500 5.385 4.925 5.537 0.037 2 0 "[ . 1 . 2]" 1
872 1 44 THR H 1 50 VAL QG 7.600 . 7.600 3.107 2.653 4.313 . 0 0 "[ . 1 . 2]" 1
873 1 44 THR H 1 51 THR H 3.300 . 3.300 2.602 2.200 3.307 0.007 1 0 "[ . 1 . 2]" 1
874 1 44 THR H 1 52 LEU HA 3.800 . 3.800 3.589 3.176 3.838 0.038 17 0 "[ . 1 . 2]" 1
875 1 44 THR H 1 52 LEU QD 7.600 . 7.600 4.526 3.836 5.170 . 0 0 "[ . 1 . 2]" 1
876 1 44 THR H 1 53 LEU H 5.300 . 5.300 4.615 4.390 4.957 . 0 0 "[ . 1 . 2]" 1
877 1 44 THR H 1 53 LEU HG 5.100 . 5.100 4.428 3.225 5.149 0.049 12 0 "[ . 1 . 2]" 1
878 1 44 THR H 1 53 LEU QD 6.800 . 6.800 3.851 2.307 4.835 . 0 0 "[ . 1 . 2]" 1
879 1 44 THR HA 1 45 LYS H 3.300 . 3.300 2.197 2.113 2.282 . 0 0 "[ . 1 . 2]" 1
880 1 44 THR HB 1 45 LYS H 4.400 . 4.400 4.323 4.237 4.464 0.064 16 0 "[ . 1 . 2]" 1
881 1 44 THR HG1 1 45 LYS H 5.300 . 5.300 3.467 3.274 3.660 . 0 0 "[ . 1 . 2]" 1
882 1 45 LYS H 1 45 LYS HB3 3.300 . 3.300 2.917 2.127 3.474 0.174 17 0 "[ . 1 . 2]" 1
883 1 45 LYS H 1 45 LYS HB2 3.300 . 3.300 3.129 2.090 3.477 0.177 18 0 "[ . 1 . 2]" 1
884 1 45 LYS H 1 45 LYS QG 5.000 . 5.000 2.551 1.770 4.040 0.030 14 0 "[ . 1 . 2]" 1
885 1 45 LYS H 1 46 GLY H 5.200 . 5.200 4.588 4.553 4.613 . 0 0 "[ . 1 . 2]" 1
886 1 45 LYS HA 1 46 GLY H 2.400 . 2.400 2.353 2.176 2.423 0.023 12 0 "[ . 1 . 2]" 1
887 1 45 LYS HA 1 50 VAL HA 3.800 . 3.800 1.964 1.814 2.244 . 0 0 "[ . 1 . 2]" 1
888 1 45 LYS HA 1 51 THR H 3.500 . 3.500 3.226 2.942 3.505 0.005 14 0 "[ . 1 . 2]" 1
889 1 45 LYS HB3 1 46 GLY H 3.900 . 3.900 3.303 2.294 3.941 0.041 13 0 "[ . 1 . 2]" 1
890 1 45 LYS HB3 1 47 THR H 5.000 . 5.000 4.849 3.296 5.062 0.062 18 0 "[ . 1 . 2]" 1
891 1 45 LYS HB2 1 46 GLY H 3.900 . 3.900 3.013 2.274 3.906 0.006 10 0 "[ . 1 . 2]" 1
892 1 45 LYS HB2 1 47 THR H 5.000 . 5.000 4.252 3.313 5.061 0.061 13 0 "[ . 1 . 2]" 1
893 1 45 LYS QB 1 47 THR H 5.300 2.400 5.300 3.849 3.256 4.490 . 0 0 "[ . 1 . 2]" 1
894 1 45 LYS QG 1 46 GLY H 5.500 . 5.500 3.457 1.812 4.633 . 0 0 "[ . 1 . 2]" 1
895 1 46 GLY H 1 47 THR H 5.200 2.800 5.200 3.087 2.858 3.352 . 0 0 "[ . 1 . 2]" 1
896 1 46 GLY H 1 49 GLU H 3.400 . 3.400 3.152 2.615 3.412 0.012 14 0 "[ . 1 . 2]" 1
897 1 46 GLY H 1 49 GLU HB3 4.600 . 4.600 4.623 4.571 4.654 0.054 3 0 "[ . 1 . 2]" 1
898 1 46 GLY H 1 49 GLU HB2 4.600 . 4.600 4.171 3.369 4.618 0.018 15 0 "[ . 1 . 2]" 1
899 1 46 GLY H 1 49 GLU QB 4.400 . 4.400 3.857 3.293 4.122 . 0 0 "[ . 1 . 2]" 1
900 1 46 GLY H 1 50 VAL HA 3.500 . 3.500 3.174 2.809 3.550 0.050 7 0 "[ . 1 . 2]" 1
901 1 46 GLY HA3 1 47 THR H 3.600 . 3.600 3.533 3.492 3.559 . 0 0 "[ . 1 . 2]" 1
902 1 46 GLY HA2 1 47 THR H 3.600 . 3.600 2.394 2.280 2.499 . 0 0 "[ . 1 . 2]" 1
903 1 47 THR H 1 47 THR HB 3.200 . 3.200 2.963 2.595 3.234 0.034 10 0 "[ . 1 . 2]" 1
904 1 47 THR H 1 48 ASN H 6.500 . 6.500 3.827 3.039 4.150 . 0 0 "[ . 1 . 2]" 1
905 1 47 THR H 1 49 GLU H 6.300 2.900 6.300 4.017 3.859 4.265 . 0 0 "[ . 1 . 2]" 1
906 1 47 THR H 1 49 GLU QB 6.500 . 6.500 5.288 4.744 5.674 . 0 0 "[ . 1 . 2]" 1
907 1 47 THR HA 1 48 ASN H 2.700 . 2.700 2.276 2.142 2.772 0.072 7 0 "[ . 1 . 2]" 1
908 1 47 THR HA 1 49 GLU H 4.500 2.800 4.500 3.789 3.556 4.616 0.116 12 0 "[ . 1 . 2]" 1
909 1 47 THR HB 1 48 ASN H 5.000 . 5.000 4.444 4.205 4.622 . 0 0 "[ . 1 . 2]" 1
910 1 47 THR HG1 1 48 ASN H 5.600 . 5.600 3.466 2.945 3.972 . 0 0 "[ . 1 . 2]" 1
911 1 47 THR HG1 1 48 ASN HD21 6.000 . 6.000 3.673 2.541 5.445 . 0 0 "[ . 1 . 2]" 1
912 1 47 THR HG1 1 48 ASN HD22 6.000 . 6.000 3.338 1.875 6.047 0.047 12 0 "[ . 1 . 2]" 1
913 1 47 THR HG1 1 48 ASN QD 5.800 . 5.800 2.984 1.835 5.071 . 0 0 "[ . 1 . 2]" 1
914 1 47 THR HG1 1 49 GLU H 6.000 . 6.000 4.240 3.743 5.018 . 0 0 "[ . 1 . 2]" 1
915 1 48 ASN H 1 48 ASN HA 2.600 . 2.600 2.368 2.270 2.647 0.047 10 0 "[ . 1 . 2]" 1
916 1 48 ASN H 1 49 GLU H 2.700 . 2.700 2.452 1.797 2.692 0.003 13 0 "[ . 1 . 2]" 1
917 1 48 ASN HA 1 48 ASN HD22 5.000 . 5.000 4.675 3.724 5.037 0.037 17 0 "[ . 1 . 2]" 1
918 1 48 ASN HA 1 49 GLU H 3.300 . 3.300 3.342 3.171 3.449 0.149 12 0 "[ . 1 . 2]" 1
919 1 48 ASN HB3 1 48 ASN HD22 4.000 . 4.000 3.731 3.438 4.072 0.072 7 0 "[ . 1 . 2]" 1
920 1 48 ASN HB3 1 49 GLU H 5.000 . 5.000 4.154 2.892 4.408 . 0 0 "[ . 1 . 2]" 1
921 1 48 ASN HB2 1 48 ASN HD22 4.000 . 4.000 3.677 3.478 4.051 0.051 5 0 "[ . 1 . 2]" 1
922 1 48 ASN HB2 1 49 GLU H 5.000 . 5.000 3.618 3.258 4.619 . 0 0 "[ . 1 . 2]" 1
923 1 49 GLU H 1 49 GLU HA 2.900 . 2.900 2.919 2.899 2.943 0.043 7 0 "[ . 1 . 2]" 1
924 1 49 GLU H 1 49 GLU QB 3.800 . 3.800 2.626 2.356 2.789 . 0 0 "[ . 1 . 2]" 1
925 1 49 GLU H 1 50 VAL H 4.900 . 4.900 4.410 4.300 4.526 . 0 0 "[ . 1 . 2]" 1
926 1 49 GLU H 1 50 VAL QG 6.300 . 6.300 4.055 3.501 4.997 . 0 0 "[ . 1 . 2]" 1
927 1 49 GLU HA 1 49 GLU HB3 3.000 . 3.000 2.611 2.410 2.724 . 0 0 "[ . 1 . 2]" 1
928 1 49 GLU HA 1 49 GLU HB2 3.000 . 3.000 2.985 2.935 3.010 0.010 3 0 "[ . 1 . 2]" 1
929 1 49 GLU HA 1 50 VAL H 2.400 . 2.400 2.368 2.168 2.431 0.031 16 0 "[ . 1 . 2]" 1
930 1 49 GLU HA 1 50 VAL QG . . 6.000 3.122 2.874 3.675 . 0 0 "[ . 1 . 2]" 1
931 1 49 GLU HB3 1 50 VAL H 3.800 . 3.800 2.509 2.358 2.951 . 0 0 "[ . 1 . 2]" 1
932 1 49 GLU HB2 1 50 VAL H 3.800 . 3.800 3.828 3.744 3.896 0.096 13 0 "[ . 1 . 2]" 1
933 1 49 GLU QG 1 50 VAL H 5.400 . 5.400 3.536 3.049 4.136 . 0 0 "[ . 1 . 2]" 1
934 1 50 VAL H 1 50 VAL HB 3.500 . 3.500 3.367 2.966 3.627 0.127 1 0 "[ . 1 . 2]" 1
935 1 50 VAL H 1 70 PHE HZ 6.000 . 6.000 5.917 5.248 6.043 0.043 1 0 "[ . 1 . 2]" 1
936 1 50 VAL HA 1 51 THR H 2.400 . 2.400 2.230 2.104 2.444 0.044 15 0 "[ . 1 . 2]" 1
937 1 50 VAL HB 1 51 THR H 3.800 . 3.800 3.760 3.388 3.946 0.146 7 0 "[ . 1 . 2]" 1
938 1 50 VAL QG 1 51 THR H . . 5.100 2.301 1.790 3.176 0.010 15 0 "[ . 1 . 2]" 1
939 1 50 VAL QG 1 52 LEU H . . 6.500 4.168 3.455 5.089 . 0 0 "[ . 1 . 2]" 1
940 1 50 VAL QG 1 52 LEU QD . . 8.500 3.242 2.166 4.528 . 0 0 "[ . 1 . 2]" 1
941 1 50 VAL QG 1 70 PHE CG 8.000 . 8.000 3.847 3.168 4.319 . 0 0 "[ . 1 . 2]" 1
942 1 50 VAL QG 1 70 PHE CZ . . 7.000 2.929 2.325 3.850 . 0 0 "[ . 1 . 2]" 1
943 1 50 VAL QG 1 70 PHE HZ . . 5.200 2.874 1.976 4.069 . 0 0 "[ . 1 . 2]" 1
944 1 51 THR H 1 51 THR HB 2.700 . 2.700 2.701 2.523 2.774 0.074 2 0 "[ . 1 . 2]" 1
945 1 51 THR H 1 52 LEU H 4.600 . 4.600 4.236 4.046 4.510 . 0 0 "[ . 1 . 2]" 1
946 1 51 THR HA 1 52 LEU H 2.400 . 2.400 2.148 2.127 2.234 . 0 0 "[ . 1 . 2]" 1
947 1 51 THR HB 1 52 LEU H 4.400 . 4.400 4.332 4.138 4.424 0.024 10 0 "[ . 1 . 2]" 1
948 1 51 THR HG1 1 52 LEU H 4.600 . 4.600 2.994 2.602 3.615 . 0 0 "[ . 1 . 2]" 1
949 1 51 THR HG1 1 53 LEU H 6.400 . 6.400 4.640 4.282 4.910 . 0 0 "[ . 1 . 2]" 1
950 1 51 THR HG1 1 53 LEU HA 6.000 . 6.000 3.963 3.705 4.464 . 0 0 "[ . 1 . 2]" 1
951 1 51 THR HG1 1 54 ALA H 7.400 . 7.400 5.271 4.928 6.034 . 0 0 "[ . 1 . 2]" 1
952 1 52 LEU H 1 52 LEU HB3 3.500 . 3.500 3.441 3.272 3.591 0.091 7 0 "[ . 1 . 2]" 1
953 1 52 LEU H 1 52 LEU HB2 3.500 . 3.500 2.641 2.052 3.566 0.066 1 0 "[ . 1 . 2]" 1
954 1 52 LEU H 1 52 LEU QB 3.000 . 3.000 2.489 2.033 3.050 0.050 9 0 "[ . 1 . 2]" 1
955 1 52 LEU H 1 52 LEU HG 3.500 . 3.500 3.450 2.217 3.621 0.121 17 0 "[ . 1 . 2]" 1
956 1 52 LEU H 1 53 LEU H 6.100 . 6.100 4.589 4.537 4.626 . 0 0 "[ . 1 . 2]" 1
957 1 52 LEU HA 1 53 LEU H 2.500 . 2.500 2.234 2.199 2.268 . 0 0 "[ . 1 . 2]" 1
958 1 52 LEU HB3 1 53 LEU H 5.000 . 5.000 3.276 2.859 3.667 . 0 0 "[ . 1 . 2]" 1
959 1 52 LEU HB3 1 57 LEU QD 8.600 . 8.600 2.860 1.788 3.899 0.012 6 0 "[ . 1 . 2]" 1
960 1 52 LEU HB2 1 53 LEU H 5.000 . 5.000 3.841 2.882 4.438 . 0 0 "[ . 1 . 2]" 1
961 1 52 LEU HB2 1 57 LEU QD 8.600 . 8.600 3.330 1.821 4.409 . 0 0 "[ . 1 . 2]" 1
962 1 52 LEU QB 1 53 LEU H 4.100 . 4.100 3.015 2.765 3.347 . 0 0 "[ . 1 . 2]" 1
963 1 52 LEU QB 1 56 TYR H 6.300 . 6.300 5.910 5.380 6.322 0.022 15 0 "[ . 1 . 2]" 1
964 1 52 LEU QB 1 56 TYR CG 7.900 . 7.900 6.274 5.000 7.168 . 0 0 "[ . 1 . 2]" 1
965 1 52 LEU QB 1 56 TYR CZ 8.300 . 8.300 7.281 5.630 8.346 0.046 15 0 "[ . 1 . 2]" 1
966 1 52 LEU QB 1 57 LEU QD 6.600 . 6.600 2.578 1.773 3.314 0.027 6 0 "[ . 1 . 2]" 1
967 1 52 LEU QB 1 68 LEU QD 6.500 . 6.500 3.697 2.860 4.486 . 0 0 "[ . 1 . 2]" 1
968 1 52 LEU HG 1 53 LEU H 5.500 . 5.500 4.625 4.132 5.407 . 0 0 "[ . 1 . 2]" 1
969 1 52 LEU HG 1 53 LEU HA 6.300 . 6.300 6.399 6.311 6.634 0.334 13 0 "[ . 1 . 2]" 1
970 1 52 LEU HG 1 68 LEU H 7.500 . 7.500 7.533 7.318 7.599 0.099 4 0 "[ . 1 . 2]" 1
971 1 52 LEU HG 1 83 ILE MD 4.000 . 4.000 4.025 3.828 4.093 0.093 17 0 "[ . 1 . 2]" 1
972 1 52 LEU QD 1 57 LEU QD . . 7.500 2.229 1.777 3.296 0.023 8 0 "[ . 1 . 2]" 1
973 1 52 LEU QD 1 68 LEU HB3 6.200 . 6.200 4.365 3.677 5.010 . 0 0 "[ . 1 . 2]" 1
974 1 52 LEU QD 1 68 LEU HB2 6.200 . 6.200 4.250 3.529 4.929 . 0 0 "[ . 1 . 2]" 1
975 1 52 LEU QD 1 53 LEU H 7.600 . 7.600 3.644 2.467 4.244 . 0 0 "[ . 1 . 2]" 1
976 1 52 LEU QD 1 56 TYR CG 9.600 . 9.600 5.873 3.519 7.527 . 0 0 "[ . 1 . 2]" 1
977 1 52 LEU QD 1 56 TYR CZ 9.600 . 9.600 6.265 3.445 8.721 . 0 0 "[ . 1 . 2]" 1
978 1 52 LEU QD 1 57 LEU QB 6.800 . 6.800 3.741 2.398 4.570 . 0 0 "[ . 1 . 2]" 1
979 1 52 LEU QD 1 68 LEU QB 4.900 . 4.900 3.805 3.248 4.426 . 0 0 "[ . 1 . 2]" 1
980 1 52 LEU QD 1 70 PHE CG 9.600 . 9.600 6.470 5.879 7.349 . 0 0 "[ . 1 . 2]" 1
981 1 52 LEU QD 1 70 PHE CZ 9.600 . 9.600 4.473 3.931 5.510 . 0 0 "[ . 1 . 2]" 1
982 1 52 LEU QD 1 70 PHE HZ 6.500 . 6.500 3.713 3.098 4.845 . 0 0 "[ . 1 . 2]" 1
983 1 52 LEU QD 1 83 ILE MD 5.100 . 5.100 2.630 1.780 3.994 0.020 8 0 "[ . 1 . 2]" 1
984 1 53 LEU H 1 53 LEU HA 2.900 . 2.900 2.920 2.904 2.932 0.032 11 0 "[ . 1 . 2]" 1
985 1 53 LEU H 1 53 LEU HG 5.000 . 5.000 3.178 1.776 4.371 0.024 18 0 "[ . 1 . 2]" 1
986 1 53 LEU H 1 53 LEU QD . . 4.600 3.308 2.323 3.811 . 0 0 "[ . 1 . 2]" 1
987 1 53 LEU H 1 54 ALA H 4.400 . 4.400 4.269 4.069 4.417 0.017 1 0 "[ . 1 . 2]" 1
988 1 53 LEU H 1 56 TYR HB3 5.500 . 5.500 3.762 3.307 4.296 . 0 0 "[ . 1 . 2]" 1
989 1 53 LEU H 1 56 TYR HB2 5.500 . 5.500 4.986 4.743 5.304 . 0 0 "[ . 1 . 2]" 1
990 1 53 LEU HA 1 54 ALA H 2.400 . 2.400 2.106 2.075 2.154 . 0 0 "[ . 1 . 2]" 1
991 1 53 LEU QB 1 54 ALA H 4.500 . 4.500 3.467 3.180 3.730 . 0 0 "[ . 1 . 2]" 1
992 1 53 LEU QB 1 55 SER H 4.500 . 4.500 2.529 2.246 2.708 . 0 0 "[ . 1 . 2]" 1
993 1 53 LEU QB 1 56 TYR H 5.500 . 5.500 2.971 2.645 3.748 . 0 0 "[ . 1 . 2]" 1
994 1 53 LEU HG 1 54 ALA H 5.000 . 5.000 4.677 4.080 5.059 0.059 18 0 "[ . 1 . 2]" 1
995 1 53 LEU HG 1 55 SER H 6.000 . 6.000 4.980 4.183 5.424 . 0 0 "[ . 1 . 2]" 1
996 1 53 LEU QD 1 54 ALA H . . 5.700 3.536 2.502 4.422 . 0 0 "[ . 1 . 2]" 1
997 1 53 LEU QD 1 55 SER H 6.700 . 6.700 3.314 2.082 4.373 . 0 0 "[ . 1 . 2]" 1
998 1 53 LEU QD 1 56 TYR H 7.600 . 7.600 3.919 1.793 4.401 0.007 16 0 "[ . 1 . 2]" 1
999 1 53 LEU QD 1 56 TYR CZ 9.900 . 9.900 7.544 5.986 8.434 . 0 0 "[ . 1 . 2]" 1
1000 1 54 ALA H 1 54 ALA MB 3.600 . 3.600 2.136 2.071 2.251 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ALA H 1 55 SER H 3.100 . 3.100 2.964 2.884 3.035 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ALA H 1 56 TYR H 4.800 . 4.800 4.826 4.729 4.870 0.070 16 0 "[ . 1 . 2]" 1
1003 1 54 ALA H 1 57 LEU QD 9.500 . 9.500 4.563 2.967 5.350 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ALA HA 1 55 SER H 3.500 . 3.500 3.419 3.370 3.461 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ALA HA 1 56 TYR H 4.600 . 4.600 4.428 4.270 4.590 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ALA HA 1 57 LEU QD 7.200 . 7.200 3.253 1.868 3.844 . 0 0 "[ . 1 . 2]" 1
1007 1 55 SER H 1 55 SER HA 2.900 . 2.900 2.844 2.837 2.849 . 0 0 "[ . 1 . 2]" 1
1008 1 55 SER H 1 57 LEU QB 6.700 . 6.700 4.933 4.575 5.723 . 0 0 "[ . 1 . 2]" 1
1009 1 55 SER H 1 57 LEU QD 7.600 . 7.600 5.288 3.723 5.909 . 0 0 "[ . 1 . 2]" 1
1010 1 55 SER HA 1 57 LEU H 5.400 . 5.400 5.048 4.951 5.111 . 0 0 "[ . 1 . 2]" 1
1011 1 55 SER HA 1 58 ASN H 3.800 . 3.800 3.866 3.815 3.918 0.118 16 0 "[ . 1 . 2]" 1
1012 1 55 SER HA 1 58 ASN HB3 5.300 . 5.300 2.893 2.744 3.093 . 0 0 "[ . 1 . 2]" 1
1013 1 55 SER HA 1 58 ASN HB2 5.300 . 5.300 4.001 3.682 4.130 . 0 0 "[ . 1 . 2]" 1
1014 1 56 TYR H 1 56 TYR HB3 2.900 . 2.900 2.274 1.975 2.650 . 0 0 "[ . 1 . 2]" 1
1015 1 56 TYR H 1 56 TYR HB2 2.900 . 2.900 2.809 2.532 3.015 0.115 11 0 "[ . 1 . 2]" 1
1016 1 56 TYR H 1 56 TYR QB 2.700 . 2.700 2.154 1.950 2.317 . 0 0 "[ . 1 . 2]" 1
1017 1 56 TYR H 1 57 LEU H 2.600 . 2.600 2.597 2.396 2.701 0.101 11 0 "[ . 1 . 2]" 1
1018 1 56 TYR H 1 58 ASN H 4.400 . 4.400 3.841 3.689 3.971 . 0 0 "[ . 1 . 2]" 1
1019 1 56 TYR HA 1 56 TYR QB 2.800 . 2.800 2.281 2.174 2.418 . 0 0 "[ . 1 . 2]" 1
1020 1 56 TYR CZ 1 56 TYR HA 5.600 . 5.600 5.287 4.896 5.638 0.038 11 0 "[ . 1 . 2]" 1
1021 1 56 TYR HA 1 58 ASN H 6.000 . 6.000 4.328 4.160 4.537 . 0 0 "[ . 1 . 2]" 1
1022 1 56 TYR HA 1 59 THR H 4.200 . 4.200 3.351 3.133 3.470 . 0 0 "[ . 1 . 2]" 1
1023 1 56 TYR HB3 1 57 LEU H 3.600 . 3.600 2.309 2.175 2.515 . 0 0 "[ . 1 . 2]" 1
1024 1 56 TYR HB2 1 57 LEU H 3.600 . 3.600 3.673 3.615 3.712 0.112 18 0 "[ . 1 . 2]" 1
1025 1 56 TYR QB 1 56 TYR HD1 3.300 . 3.300 2.574 2.432 2.841 . 0 0 "[ . 1 . 2]" 1
1026 1 56 TYR QB 1 57 LEU H 3.200 . 3.200 2.285 2.159 2.475 . 0 0 "[ . 1 . 2]" 1
1027 1 56 TYR QB 1 58 ASN H 5.900 . 5.900 4.551 4.422 4.682 . 0 0 "[ . 1 . 2]" 1
1028 1 56 TYR CG 1 57 LEU H 6.200 . 6.200 3.289 2.683 4.027 . 0 0 "[ . 1 . 2]" 1
1029 1 56 TYR CG 1 57 LEU QB 7.900 . 7.900 4.766 4.062 5.874 . 0 0 "[ . 1 . 2]" 1
1030 1 56 TYR CG 1 57 LEU HG 6.500 . 6.500 6.205 4.616 6.582 0.082 5 0 "[ . 1 . 2]" 1
1031 1 56 TYR CG 1 57 LEU QD 9.000 . 9.000 3.963 2.708 5.423 . 0 0 "[ . 1 . 2]" 1
1032 1 56 TYR CG 1 58 ASN H 7.400 . 7.400 5.504 5.106 5.873 . 0 0 "[ . 1 . 2]" 1
1033 1 56 TYR CG 1 58 ASN QB 7.200 . 7.200 6.762 6.473 7.005 . 0 0 "[ . 1 . 2]" 1
1034 1 56 TYR CZ 1 57 LEU QD 7.400 . 7.400 4.278 2.579 6.456 . 0 0 "[ . 1 . 2]" 1
1035 1 56 TYR CZ 1 58 ASN QB 9.000 . 9.000 8.523 8.126 8.917 . 0 0 "[ . 1 . 2]" 1
1036 1 57 LEU H 1 57 LEU QB 3.300 . 3.300 2.248 2.034 2.975 . 0 0 "[ . 1 . 2]" 1
1037 1 57 LEU H 1 57 LEU HG 4.800 . 4.800 3.974 1.888 4.637 . 0 0 "[ . 1 . 2]" 1
1038 1 57 LEU H 1 57 LEU QD . . 4.600 2.868 1.818 3.726 . 0 0 "[ . 1 . 2]" 1
1039 1 57 LEU H 1 58 ASN H 3.100 . 3.100 2.819 2.665 2.910 . 0 0 "[ . 1 . 2]" 1
1040 1 57 LEU H 1 60 LEU QD 8.600 . 8.600 4.041 3.326 4.597 . 0 0 "[ . 1 . 2]" 1
1041 1 57 LEU HA 1 58 ASN H 3.500 . 3.500 3.532 3.506 3.549 0.049 1 0 "[ . 1 . 2]" 1
1042 1 57 LEU HB3 1 58 ASN H 4.200 . 4.200 3.030 2.578 4.210 0.010 3 0 "[ . 1 . 2]" 1
1043 1 57 LEU HB2 1 58 ASN H 4.200 . 4.200 3.349 3.016 3.826 . 0 0 "[ . 1 . 2]" 1
1044 1 57 LEU QB 1 58 ASN H 3.800 . 3.800 2.704 2.486 3.028 . 0 0 "[ . 1 . 2]" 1
1045 1 57 LEU QB 1 58 ASN HA 5.900 . 5.900 3.803 3.751 3.963 . 0 0 "[ . 1 . 2]" 1
1046 1 57 LEU HG 1 58 ASN H 4.800 . 4.800 4.319 2.786 4.776 . 0 0 "[ . 1 . 2]" 1
1047 1 57 LEU HG 1 58 ASN HA 5.000 . 5.000 5.060 5.010 5.107 0.107 3 0 "[ . 1 . 2]" 1
1048 1 57 LEU QD 1 58 ASN H . . 6.000 3.952 3.508 4.169 . 0 0 "[ . 1 . 2]" 1
1049 1 57 LEU QD 1 60 LEU QD . . 6.700 2.372 1.793 3.446 0.007 8 0 "[ . 1 . 2]" 1
1050 1 57 LEU QD 1 61 PRO HD3 9.500 . 9.500 6.715 5.823 7.664 . 0 0 "[ . 1 . 2]" 1
1051 1 57 LEU QD 1 61 PRO HD2 9.500 . 9.500 6.290 5.378 7.798 . 0 0 "[ . 1 . 2]" 1
1052 1 57 LEU QD 1 59 THR H 7.600 . 7.600 4.984 4.778 5.264 . 0 0 "[ . 1 . 2]" 1
1053 1 57 LEU QD 1 59 THR HA 8.800 . 8.800 6.842 6.313 7.001 . 0 0 "[ . 1 . 2]" 1
1054 1 57 LEU QD 1 60 LEU H 6.500 . 6.500 4.545 4.110 5.024 . 0 0 "[ . 1 . 2]" 1
1055 1 57 LEU QD 1 60 LEU HG 6.200 . 6.200 3.380 1.827 6.014 . 0 0 "[ . 1 . 2]" 1
1056 1 57 LEU QD 1 61 PRO QD 7.900 . 7.900 5.756 4.962 6.866 . 0 0 "[ . 1 . 2]" 1
1057 1 57 LEU QD 1 67 THR H 7.400 . 7.400 6.176 5.085 7.446 0.046 3 0 "[ . 1 . 2]" 1
1058 1 57 LEU QD 1 68 LEU H 8.600 . 8.600 6.135 5.601 7.299 . 0 0 "[ . 1 . 2]" 1
1059 1 57 LEU QD 1 83 ILE H 7.300 . 7.300 5.513 4.780 7.021 . 0 0 "[ . 1 . 2]" 1
1060 1 57 LEU QD 1 84 THR H 7.900 . 7.900 5.793 5.081 7.684 . 0 0 "[ . 1 . 2]" 1
1061 1 58 ASN H 1 58 ASN HA 2.900 . 2.900 2.826 2.814 2.832 . 0 0 "[ . 1 . 2]" 1
1062 1 58 ASN H 1 58 ASN HB3 2.700 . 2.700 2.446 2.384 2.508 . 0 0 "[ . 1 . 2]" 1
1063 1 58 ASN H 1 58 ASN HB2 2.700 . 2.700 2.661 2.568 2.714 0.014 7 0 "[ . 1 . 2]" 1
1064 1 58 ASN H 1 59 THR H 3.100 . 3.100 2.547 2.499 2.598 . 0 0 "[ . 1 . 2]" 1
1065 1 58 ASN H 1 60 LEU H 4.200 . 4.200 4.029 3.894 4.203 0.003 1 0 "[ . 1 . 2]" 1
1066 1 58 ASN HA 1 59 THR H 3.500 . 3.500 3.459 3.431 3.510 0.010 10 0 "[ . 1 . 2]" 1
1067 1 58 ASN HA 1 60 LEU H 4.200 . 4.200 4.155 4.048 4.267 0.067 15 0 "[ . 1 . 2]" 1
1068 1 58 ASN HB3 1 59 THR H 5.000 . 5.000 2.973 2.719 3.120 . 0 0 "[ . 1 . 2]" 1
1069 1 58 ASN HB2 1 59 THR H 5.000 . 5.000 4.118 3.994 4.206 . 0 0 "[ . 1 . 2]" 1
1070 1 58 ASN QB 1 59 THR H 4.300 . 4.300 2.908 2.677 3.037 . 0 0 "[ . 1 . 2]" 1
1071 1 58 ASN QB 1 60 LEU H 5.000 . 5.000 4.781 4.607 4.888 . 0 0 "[ . 1 . 2]" 1
1072 1 59 THR H 1 59 THR HB 4.100 . 4.100 2.724 2.392 3.622 . 0 0 "[ . 1 . 2]" 1
1073 1 59 THR H 1 59 THR HG1 4.200 . 4.200 2.557 1.967 3.147 . 0 0 "[ . 1 . 2]" 1
1074 1 59 THR H 1 60 LEU H 2.600 . 2.600 2.383 2.220 2.537 . 0 0 "[ . 1 . 2]" 1
1075 1 59 THR HA 1 60 LEU H 3.400 . 3.400 3.457 3.390 3.507 0.107 15 0 "[ . 1 . 2]" 1
1076 1 59 THR HB 1 60 LEU H 4.400 . 4.400 3.138 2.645 3.979 . 0 0 "[ . 1 . 2]" 1
1077 1 59 THR HG1 1 60 LEU H 6.000 . 6.000 3.604 2.965 3.846 . 0 0 "[ . 1 . 2]" 1
1078 1 60 LEU H 1 60 LEU QB 3.700 . 3.700 2.297 2.141 2.660 . 0 0 "[ . 1 . 2]" 1
1079 1 60 LEU H 1 60 LEU HG 3.700 . 3.700 3.161 1.922 3.939 0.239 3 0 "[ . 1 . 2]" 1
1080 1 60 LEU H 1 85 VAL QG 7.000 . 7.000 3.873 3.486 4.455 . 0 0 "[ . 1 . 2]" 1
1081 1 60 LEU HA 1 61 PRO QB 5.400 . 5.400 4.726 4.622 4.889 . 0 0 "[ . 1 . 2]" 1
1082 1 60 LEU HA 1 61 PRO HD3 3.200 . 3.200 2.050 1.812 2.532 . 0 0 "[ . 1 . 2]" 1
1083 1 60 LEU HA 1 61 PRO HD2 3.200 . 3.200 2.666 1.975 3.112 . 0 0 "[ . 1 . 2]" 1
1084 1 60 LEU HA 1 61 PRO QD 2.900 . 2.900 1.941 1.791 2.140 0.009 15 0 "[ . 1 . 2]" 1
1085 1 60 LEU HA 1 66 LYS QB 6.400 . 6.400 5.652 4.771 6.439 0.039 15 0 "[ . 1 . 2]" 1
1086 1 60 LEU QB 1 85 VAL HA 6.200 . 6.200 4.951 4.359 6.227 0.027 3 0 "[ . 1 . 2]" 1
1087 1 60 LEU QB 1 85 VAL QG 8.000 . 8.000 1.965 1.760 3.087 0.040 6 0 "[ . 1 . 2]" 1
1088 1 60 LEU HG 1 61 PRO QD 5.900 . 5.900 3.811 2.550 4.465 . 0 0 "[ . 1 . 2]" 1
1089 1 60 LEU QD 1 85 VAL QG . . 7.700 2.016 1.794 2.802 0.006 15 0 "[ . 1 . 2]" 1
1090 1 60 LEU QD 1 61 PRO QD 8.300 . 8.300 2.092 1.773 3.352 0.027 11 0 "[ . 1 . 2]" 1
1091 1 60 LEU QD 1 66 LYS H 8.100 . 8.100 3.671 2.787 4.224 . 0 0 "[ . 1 . 2]" 1
1092 1 60 LEU QD 1 66 LYS QB 7.800 . 7.800 2.050 1.760 3.383 0.040 8 0 "[ . 1 . 2]" 1
1093 1 60 LEU QD 1 66 LYS QD 8.900 . 8.900 2.108 1.766 3.352 0.034 19 0 "[ . 1 . 2]" 1
1094 1 60 LEU QD 1 85 VAL HA 8.200 . 8.200 4.809 3.596 5.799 . 0 0 "[ . 1 . 2]" 1
1095 1 60 LEU QD 1 88 LYS QG 9.800 . 9.800 7.717 4.695 8.782 . 0 0 "[ . 1 . 2]" 1
1096 1 60 LEU QD 1 88 LYS QE 8.300 . 8.300 7.661 6.071 8.325 0.025 1 0 "[ . 1 . 2]" 1
1097 1 61 PRO HA 1 62 GLU H 2.700 . 2.700 2.576 2.423 2.755 0.055 15 0 "[ . 1 . 2]" 1
1098 1 61 PRO HB3 1 62 GLU H 3.000 . 3.000 2.610 2.371 3.027 0.027 20 0 "[ . 1 . 2]" 1
1099 1 61 PRO HB2 1 62 GLU H 3.000 . 3.000 2.665 2.025 3.018 0.018 3 0 "[ . 1 . 2]" 1
1100 1 61 PRO QD 1 62 GLU H 5.300 . 5.300 4.793 4.438 4.908 . 0 0 "[ . 1 . 2]" 1
1101 1 62 GLU H 1 62 GLU HG3 3.900 . 3.900 3.601 2.712 3.921 0.021 1 0 "[ . 1 . 2]" 1
1102 1 62 GLU H 1 62 GLU HG2 3.900 . 3.900 3.243 2.268 3.949 0.049 2 0 "[ . 1 . 2]" 1
1103 1 62 GLU H 1 62 GLU QG 3.600 . 3.600 2.860 2.248 3.505 . 0 0 "[ . 1 . 2]" 1
1104 1 62 GLU H 1 63 ASN H 4.400 . 4.400 4.428 4.333 4.491 0.091 8 0 "[ . 1 . 2]" 1
1105 1 62 GLU H 1 64 THR H 5.500 . 5.500 5.188 4.972 5.340 . 0 0 "[ . 1 . 2]" 1
1106 1 62 GLU H 1 85 VAL QG 7.700 . 7.700 5.175 4.105 6.037 . 0 0 "[ . 1 . 2]" 1
1107 1 62 GLU H 1 86 LEU QD 10.500 . 10.500 7.867 6.882 8.675 . 0 0 "[ . 1 . 2]" 1
1108 1 62 GLU HA 1 63 ASN H 2.600 . 2.600 2.688 2.627 2.774 0.174 3 0 "[ . 1 . 2]" 1
1109 1 62 GLU HA 1 64 THR H 4.300 . 4.300 4.391 4.353 4.485 0.185 11 0 "[ . 1 . 2]" 1
1110 1 62 GLU HA 1 88 LYS H 4.400 . 4.400 4.133 3.618 4.500 0.100 8 0 "[ . 1 . 2]" 1
1111 1 62 GLU QB 1 63 ASN H 3.800 . 3.800 1.889 1.751 2.177 0.049 5 0 "[ . 1 . 2]" 1
1112 1 62 GLU QB 1 63 ASN QD 6.700 . 6.700 4.498 2.387 5.871 . 0 0 "[ . 1 . 2]" 1
1113 1 62 GLU HG3 1 63 ASN H 3.800 . 3.800 3.127 2.272 3.810 0.010 12 0 "[ . 1 . 2]" 1
1114 1 62 GLU HG2 1 63 ASN H 3.800 . 3.800 3.419 2.107 3.832 0.032 2 0 "[ . 1 . 2]" 1
1115 1 62 GLU QG 1 63 ASN H 3.500 . 3.500 2.777 2.089 3.403 . 0 0 "[ . 1 . 2]" 1
1116 1 62 GLU QG 1 63 ASN HA 5.900 . 5.900 4.678 3.936 5.576 . 0 0 "[ . 1 . 2]" 1
1117 1 62 GLU QG 1 63 ASN QD 5.500 . 5.500 4.487 2.081 5.525 0.025 1 0 "[ . 1 . 2]" 1
1118 1 62 GLU QG 1 64 THR H 6.800 . 6.800 4.897 4.092 6.036 . 0 0 "[ . 1 . 2]" 1
1119 1 62 GLU QG 1 88 LYS H 6.600 . 6.600 5.369 3.618 6.656 0.056 11 0 "[ . 1 . 2]" 1
1120 1 63 ASN H 1 63 ASN HA 2.400 . 2.400 2.620 2.616 2.628 0.228 8 0 "[ . 1 . 2]" 1
1121 1 63 ASN H 1 63 ASN HB3 3.900 . 3.900 2.913 2.362 3.582 . 0 0 "[ . 1 . 2]" 1
1122 1 63 ASN H 1 63 ASN HB2 3.900 . 3.900 2.884 2.084 3.581 . 0 0 "[ . 1 . 2]" 1
1123 1 63 ASN H 1 63 ASN QB 3.400 . 3.400 2.383 2.058 2.733 . 0 0 "[ . 1 . 2]" 1
1124 1 63 ASN H 1 84 THR HG1 6.800 . 6.800 6.495 5.681 6.813 0.013 20 0 "[ . 1 . 2]" 1
1125 1 63 ASN H 1 85 VAL H 7.200 . 7.200 6.995 6.614 7.266 0.066 11 0 "[ . 1 . 2]" 1
1126 1 63 ASN H 1 85 VAL QG . . 5.700 5.097 3.781 5.723 0.023 16 0 "[ . 1 . 2]" 1
1127 1 63 ASN H 1 87 PRO QG 6.400 . 6.400 3.595 2.198 4.738 . 0 0 "[ . 1 . 2]" 1
1128 1 63 ASN H 1 88 LYS H 6.700 . 6.700 5.035 3.712 6.218 . 0 0 "[ . 1 . 2]" 1
1129 1 63 ASN HA 1 64 THR H 2.600 . 2.600 2.413 2.323 2.467 . 0 0 "[ . 1 . 2]" 1
1130 1 63 ASN HA 1 85 VAL H 5.900 . 5.900 4.751 4.285 5.109 . 0 0 "[ . 1 . 2]" 1
1131 1 63 ASN HB3 1 64 THR H 5.100 . 5.100 4.437 4.183 4.628 . 0 0 "[ . 1 . 2]" 1
1132 1 63 ASN HB2 1 64 THR H 5.100 . 5.100 4.434 4.221 4.658 . 0 0 "[ . 1 . 2]" 1
1133 1 64 THR H 1 64 THR HB 4.200 . 4.200 3.647 3.426 3.795 . 0 0 "[ . 1 . 2]" 1
1134 1 64 THR H 1 65 THR H 5.900 . 5.900 4.501 4.388 4.581 . 0 0 "[ . 1 . 2]" 1
1135 1 64 THR H 1 85 VAL H 3.600 . 3.600 3.528 3.191 3.647 0.047 7 0 "[ . 1 . 2]" 1
1136 1 64 THR H 1 85 VAL QG . . 5.700 2.695 1.846 3.816 . 0 0 "[ . 1 . 2]" 1
1137 1 64 THR HA 1 65 THR H 2.400 . 2.400 2.358 2.231 2.508 0.108 3 0 "[ . 1 . 2]" 1
1138 1 64 THR HB 1 65 THR H 2.900 . 2.900 2.562 2.001 2.916 0.016 4 0 "[ . 1 . 2]" 1
1139 1 64 THR HB 1 85 VAL H 5.000 . 5.000 4.775 4.091 5.031 0.031 3 0 "[ . 1 . 2]" 1
1140 1 64 THR HG1 1 65 THR H 5.800 . 5.800 3.368 2.959 3.610 . 0 0 "[ . 1 . 2]" 1
1141 1 65 THR H 1 65 THR HB 2.900 . 2.900 2.934 2.921 2.971 0.071 10 0 "[ . 1 . 2]" 1
1142 1 65 THR H 1 66 LYS H 4.400 . 4.400 3.748 3.451 4.095 . 0 0 "[ . 1 . 2]" 1
1143 1 65 THR HA 1 66 LYS H 2.400 . 2.400 2.322 2.178 2.426 0.026 19 0 "[ . 1 . 2]" 1
1144 1 65 THR HA 1 84 THR HA 3.600 . 3.600 2.062 1.772 2.803 0.028 6 0 "[ . 1 . 2]" 1
1145 1 65 THR HA 1 85 VAL H 3.800 . 3.800 3.028 2.634 3.537 . 0 0 "[ . 1 . 2]" 1
1146 1 65 THR HB 1 66 LYS H 4.200 . 4.200 4.307 4.253 4.442 0.242 4 0 "[ . 1 . 2]" 1
1147 1 65 THR HG1 1 66 LYS H 4.600 . 4.600 3.738 3.541 4.062 . 0 0 "[ . 1 . 2]" 1
1148 1 66 LYS H 1 66 LYS HB3 3.100 . 3.100 2.692 2.086 3.318 0.218 1 0 "[ . 1 . 2]" 1
1149 1 66 LYS H 1 66 LYS HB2 3.100 . 3.100 2.416 1.969 2.978 . 0 0 "[ . 1 . 2]" 1
1150 1 66 LYS H 1 66 LYS QB 2.900 . 2.900 2.108 1.953 2.274 . 0 0 "[ . 1 . 2]" 1
1151 1 66 LYS H 1 66 LYS HD3 5.000 . 5.000 4.767 4.286 5.133 0.133 16 0 "[ . 1 . 2]" 1
1152 1 66 LYS H 1 66 LYS HD2 5.000 . 5.000 5.038 4.695 5.228 0.228 7 0 "[ . 1 . 2]" 1
1153 1 66 LYS H 1 67 THR H 4.700 . 4.700 4.382 3.961 4.634 . 0 0 "[ . 1 . 2]" 1
1154 1 66 LYS H 1 85 VAL QG 8.000 . 8.000 2.517 1.921 3.233 . 0 0 "[ . 1 . 2]" 1
1155 1 66 LYS HA 1 66 LYS HD3 5.000 . 5.000 2.912 1.849 4.100 . 0 0 "[ . 1 . 2]" 1
1156 1 66 LYS HA 1 66 LYS HD2 5.000 . 5.000 3.309 2.192 4.523 . 0 0 "[ . 1 . 2]" 1
1157 1 66 LYS HA 1 67 THR H 2.400 . 2.400 2.275 2.112 2.526 0.126 18 0 "[ . 1 . 2]" 1
1158 1 66 LYS HA 1 84 THR H 8.200 . 8.200 7.154 6.927 7.369 . 0 0 "[ . 1 . 2]" 1
1159 1 66 LYS QB 1 67 THR H 4.100 . 4.100 3.527 2.414 4.056 . 0 0 "[ . 1 . 2]" 1
1160 1 66 LYS QB 1 85 VAL HA 8.400 . 8.400 5.237 4.482 6.195 . 0 0 "[ . 1 . 2]" 1
1161 1 66 LYS HD3 1 67 THR H 4.200 . 4.200 3.498 2.513 4.235 0.035 17 0 "[ . 1 . 2]" 1
1162 1 66 LYS HD2 1 67 THR H 4.200 . 4.200 3.713 2.551 4.304 0.104 15 0 "[ . 1 . 2]" 1
1163 1 66 LYS QD 1 67 THR H 3.900 . 3.900 2.916 2.495 3.505 . 0 0 "[ . 1 . 2]" 1
1164 1 67 THR H 1 67 THR HB 2.700 . 2.700 2.689 2.176 2.845 0.145 1 0 "[ . 1 . 2]" 1
1165 1 67 THR H 1 68 LEU H 4.600 . 4.600 4.312 3.954 4.579 . 0 0 "[ . 1 . 2]" 1
1166 1 67 THR HA 1 68 LEU H 2.400 . 2.400 2.151 2.086 2.261 . 0 0 "[ . 1 . 2]" 1
1167 1 67 THR HA 1 81 LEU H 6.400 . 6.400 4.562 3.982 5.024 . 0 0 "[ . 1 . 2]" 1
1168 1 67 THR HA 1 82 THR HA 3.700 . 3.700 2.008 1.787 2.474 0.013 20 0 "[ . 1 . 2]" 1
1169 1 67 THR HA 1 83 ILE H 3.600 . 3.600 2.447 1.987 3.108 . 0 0 "[ . 1 . 2]" 1
1170 1 67 THR HB 1 68 LEU H 4.200 . 4.200 4.223 4.013 4.431 0.231 1 0 "[ . 1 . 2]" 1
1171 1 67 THR HG1 1 68 LEU H 5.100 . 5.100 2.780 2.227 3.397 . 0 0 "[ . 1 . 2]" 1
1172 1 67 THR HG1 1 81 LEU H 6.000 . 6.000 3.399 2.839 4.074 . 0 0 "[ . 1 . 2]" 1
1173 1 68 LEU H 1 68 LEU HB3 3.300 . 3.300 3.167 2.250 3.478 0.178 7 0 "[ . 1 . 2]" 1
1174 1 68 LEU H 1 68 LEU HB2 3.300 . 3.300 2.602 2.083 3.488 0.188 10 0 "[ . 1 . 2]" 1
1175 1 68 LEU H 1 68 LEU HG 5.000 . 5.000 3.582 1.793 4.646 0.007 8 0 "[ . 1 . 2]" 1
1176 1 68 LEU H 1 69 THR H 5.000 . 5.000 3.951 3.720 4.273 . 0 0 "[ . 1 . 2]" 1
1177 1 68 LEU H 1 80 LYS HA 5.700 . 5.700 4.714 4.376 5.204 . 0 0 "[ . 1 . 2]" 1
1178 1 68 LEU H 1 81 LEU H 3.000 . 3.000 2.978 2.485 3.113 0.113 12 0 "[ . 1 . 2]" 1
1179 1 68 LEU H 1 81 LEU HG 7.000 . 7.000 4.047 1.923 5.824 . 0 0 "[ . 1 . 2]" 1
1180 1 68 LEU H 1 82 THR HA 3.400 . 3.400 3.392 3.053 3.500 0.100 13 0 "[ . 1 . 2]" 1
1181 1 68 LEU H 1 83 ILE H 5.900 . 5.900 3.674 3.165 4.705 . 0 0 "[ . 1 . 2]" 1
1182 1 68 LEU HA 1 69 THR H 2.500 . 2.500 2.307 2.150 2.420 . 0 0 "[ . 1 . 2]" 1
1183 1 68 LEU HB3 1 69 THR H 5.000 . 5.000 4.242 3.879 4.610 . 0 0 "[ . 1 . 2]" 1
1184 1 68 LEU HB3 1 70 PHE CG 7.000 . 7.000 5.081 3.864 6.737 . 0 0 "[ . 1 . 2]" 1
1185 1 68 LEU HB2 1 69 THR H 5.000 . 5.000 4.452 3.821 4.691 . 0 0 "[ . 1 . 2]" 1
1186 1 68 LEU HB2 1 70 PHE CG 7.000 . 7.000 5.766 4.209 7.003 0.003 4 0 "[ . 1 . 2]" 1
1187 1 68 LEU QB 1 70 PHE CZ 7.000 . 7.000 3.526 2.330 5.059 . 0 0 "[ . 1 . 2]" 1
1188 1 68 LEU QB 1 70 PHE HZ 7.400 . 7.400 3.610 2.376 5.012 . 0 0 "[ . 1 . 2]" 1
1189 1 68 LEU HG 1 69 THR H 5.000 . 5.000 4.488 3.676 5.067 0.067 8 0 "[ . 1 . 2]" 1
1190 1 68 LEU HG 1 81 LEU H 6.000 . 6.000 4.506 2.314 5.555 . 0 0 "[ . 1 . 2]" 1
1191 1 68 LEU QD 1 69 THR H 6.300 . 6.300 4.261 3.639 4.542 . 0 0 "[ . 1 . 2]" 1
1192 1 69 THR H 1 69 THR HB 3.100 . 3.100 2.494 2.243 3.013 . 0 0 "[ . 1 . 2]" 1
1193 1 69 THR H 1 70 PHE H 5.000 . 5.000 4.179 3.998 4.387 . 0 0 "[ . 1 . 2]" 1
1194 1 69 THR HA 1 70 PHE H 2.400 . 2.400 2.208 2.101 2.285 . 0 0 "[ . 1 . 2]" 1
1195 1 69 THR HA 1 70 PHE CG 6.500 . 6.500 4.893 4.573 5.210 . 0 0 "[ . 1 . 2]" 1
1196 1 69 THR HA 1 80 LYS HA 3.400 . 3.400 2.059 1.785 2.407 0.015 4 0 "[ . 1 . 2]" 1
1197 1 69 THR HA 1 81 LEU H 3.400 . 3.400 3.379 2.644 3.487 0.087 12 0 "[ . 1 . 2]" 1
1198 1 69 THR HB 1 70 PHE H 5.000 . 5.000 4.423 3.959 4.582 . 0 0 "[ . 1 . 2]" 1
1199 1 69 THR HG1 1 70 PHE H 4.700 . 4.700 3.267 2.718 3.648 . 0 0 "[ . 1 . 2]" 1
1200 1 69 THR HG1 1 70 PHE CG 8.000 . 8.000 5.463 5.191 5.906 . 0 0 "[ . 1 . 2]" 1
1201 1 69 THR HG1 1 70 PHE CZ 9.200 . 9.200 6.899 6.405 7.300 . 0 0 "[ . 1 . 2]" 1
1202 1 69 THR HG1 1 78 ASN H 7.000 . 7.000 5.305 4.664 6.294 . 0 0 "[ . 1 . 2]" 1
1203 1 69 THR HG1 1 78 ASN HD21 6.000 . 6.000 2.888 1.891 3.967 . 0 0 "[ . 1 . 2]" 1
1204 1 69 THR HG1 1 78 ASN HD22 6.000 . 6.000 2.203 1.799 4.191 0.001 5 0 "[ . 1 . 2]" 1
1205 1 69 THR HG1 1 78 ASN QD 5.400 . 5.400 2.050 1.765 3.624 0.035 20 0 "[ . 1 . 2]" 1
1206 1 70 PHE H 1 70 PHE HB3 3.500 . 3.500 3.560 3.536 3.587 0.087 4 0 "[ . 1 . 2]" 1
1207 1 70 PHE H 1 70 PHE HB2 3.500 . 3.500 2.451 2.286 2.780 . 0 0 "[ . 1 . 2]" 1
1208 1 70 PHE H 1 70 PHE QB 3.000 . 3.000 2.408 2.260 2.685 . 0 0 "[ . 1 . 2]" 1
1209 1 70 PHE H 1 70 PHE HZ 6.200 . 6.200 5.773 5.073 6.203 0.003 6 0 "[ . 1 . 2]" 1
1210 1 70 PHE H 1 71 ASP H 4.400 . 4.400 4.367 4.266 4.468 0.068 5 0 "[ . 1 . 2]" 1
1211 1 70 PHE H 1 78 ASN QB 5.900 . 5.900 5.033 4.097 5.638 . 0 0 "[ . 1 . 2]" 1
1212 1 70 PHE H 1 80 LYS HA 3.400 . 3.400 2.895 2.392 3.465 0.065 4 0 "[ . 1 . 2]" 1
1213 1 70 PHE HA 1 71 ASP H 2.400 . 2.400 2.177 2.139 2.225 . 0 0 "[ . 1 . 2]" 1
1214 1 70 PHE HA 1 78 ASN QD 5.900 . 5.900 4.322 3.671 5.266 . 0 0 "[ . 1 . 2]" 1
1215 1 70 PHE HB3 1 71 ASP H 5.000 . 5.000 3.712 3.439 3.883 . 0 0 "[ . 1 . 2]" 1
1216 1 70 PHE HB2 1 71 ASP H 5.000 . 5.000 4.385 4.207 4.525 . 0 0 "[ . 1 . 2]" 1
1217 1 70 PHE QB 1 71 ASP H 4.500 . 4.500 3.522 3.310 3.669 . 0 0 "[ . 1 . 2]" 1
1218 1 70 PHE QB 1 72 PHE CG 7.900 . 7.900 4.202 3.856 4.469 . 0 0 "[ . 1 . 2]" 1
1219 1 70 PHE CG 1 71 ASP H 7.000 . 7.000 4.797 4.626 4.953 . 0 0 "[ . 1 . 2]" 1
1220 1 70 PHE CG 1 80 LYS HA 6.900 . 6.900 5.119 4.331 5.957 . 0 0 "[ . 1 . 2]" 1
1221 1 70 PHE CG 1 81 LEU H 7.000 . 7.000 5.640 5.006 6.627 . 0 0 "[ . 1 . 2]" 1
1222 1 70 PHE CG 1 81 LEU HG 6.900 . 6.900 6.594 4.721 6.982 0.082 1 0 "[ . 1 . 2]" 1
1223 1 70 PHE CG 1 81 LEU QD 9.600 . 9.600 5.064 3.516 5.993 . 0 0 "[ . 1 . 2]" 1
1224 1 70 PHE CZ 1 81 LEU HG 6.200 . 6.200 5.307 3.429 6.180 . 0 0 "[ . 1 . 2]" 1
1225 1 70 PHE CZ 1 81 LEU QD 7.900 . 7.900 3.627 2.388 4.973 . 0 0 "[ . 1 . 2]" 1
1226 1 70 PHE HZ 1 81 LEU HG 6.200 . 6.200 5.126 3.162 6.216 0.016 11 0 "[ . 1 . 2]" 1
1227 1 70 PHE HZ 1 81 LEU QD 6.600 . 6.600 3.274 1.987 4.776 . 0 0 "[ . 1 . 2]" 1
1228 1 71 ASP H 1 71 ASP HB3 3.200 . 3.200 2.639 2.434 3.344 0.144 3 0 "[ . 1 . 2]" 1
1229 1 71 ASP H 1 71 ASP HB2 3.200 . 3.200 2.748 2.506 3.273 0.073 2 0 "[ . 1 . 2]" 1
1230 1 71 ASP HA 1 72 PHE H 2.400 . 2.400 2.140 2.077 2.188 . 0 0 "[ . 1 . 2]" 1
1231 1 71 ASP HA 1 72 PHE CG 7.000 . 7.000 5.636 5.452 5.736 . 0 0 "[ . 1 . 2]" 1
1232 1 71 ASP HA 1 73 GLY H 3.400 . 3.400 3.304 3.151 3.413 0.013 1 0 "[ . 1 . 2]" 1
1233 1 71 ASP HA 1 74 VAL H 4.600 . 4.600 4.609 4.514 4.657 0.057 19 0 "[ . 1 . 2]" 1
1234 1 71 ASP HA 1 78 ASN HD21 4.200 . 4.200 2.937 1.935 4.211 0.011 19 0 "[ . 1 . 2]" 1
1235 1 71 ASP HA 1 78 ASN HD22 4.200 . 4.200 3.057 1.837 4.223 0.023 18 0 "[ . 1 . 2]" 1
1236 1 71 ASP HA 1 78 ASN QD 4.000 . 4.000 2.474 1.827 3.618 . 0 0 "[ . 1 . 2]" 1
1237 1 71 ASP HB3 1 72 PHE H 4.400 . 4.400 4.340 4.029 4.428 0.028 15 0 "[ . 1 . 2]" 1
1238 1 71 ASP HB2 1 72 PHE H 4.400 . 4.400 4.343 4.018 4.448 0.048 4 0 "[ . 1 . 2]" 1
1239 1 71 ASP QB 1 72 PHE H 3.800 . 3.800 3.868 3.586 3.951 0.151 8 0 "[ . 1 . 2]" 1
1240 1 72 PHE H 1 72 PHE QB 3.600 . 3.600 2.182 2.109 2.266 . 0 0 "[ . 1 . 2]" 1
1241 1 72 PHE H 1 72 PHE HZ 7.300 . 7.300 7.274 7.121 7.376 0.076 12 0 "[ . 1 . 2]" 1
1242 1 72 PHE H 1 73 GLY H 2.700 . 2.700 2.692 2.470 2.749 0.049 11 0 "[ . 1 . 2]" 1
1243 1 72 PHE H 1 74 VAL H 3.300 . 3.300 3.190 3.023 3.305 0.005 8 0 "[ . 1 . 2]" 1
1244 1 72 PHE H 1 74 VAL QG 6.000 . 6.000 3.260 2.940 3.845 . 0 0 "[ . 1 . 2]" 1
1245 1 72 PHE H 1 78 ASN HA 6.100 . 6.100 4.124 3.355 5.275 . 0 0 "[ . 1 . 2]" 1
1246 1 72 PHE H 1 78 ASN QB 6.900 . 6.900 3.035 2.219 4.199 . 0 0 "[ . 1 . 2]" 1
1247 1 72 PHE CZ 1 72 PHE HA 5.900 . 5.900 4.647 4.595 4.716 . 0 0 "[ . 1 . 2]" 1
1248 1 72 PHE HA 1 73 GLY H 3.400 . 3.400 3.014 2.936 3.109 . 0 0 "[ . 1 . 2]" 1
1249 1 72 PHE HA 1 74 VAL H 5.600 . 5.600 4.170 4.121 4.241 . 0 0 "[ . 1 . 2]" 1
1250 1 72 PHE HB3 1 73 GLY H 5.000 . 5.000 4.170 4.104 4.261 . 0 0 "[ . 1 . 2]" 1
1251 1 72 PHE HB3 1 74 VAL QG 9.100 . 9.100 2.242 1.861 2.806 . 0 0 "[ . 1 . 2]" 1
1252 1 72 PHE HB2 1 73 GLY H 5.000 . 5.000 4.133 3.961 4.201 . 0 0 "[ . 1 . 2]" 1
1253 1 72 PHE HB2 1 74 VAL QG 9.100 . 9.100 2.601 2.211 3.101 . 0 0 "[ . 1 . 2]" 1
1254 1 72 PHE QB 1 74 VAL QG 7.000 . 7.000 2.103 1.796 2.539 0.004 13 0 "[ . 1 . 2]" 1
1255 1 72 PHE CG 1 73 GLY H 7.000 . 7.000 5.068 5.056 5.080 . 0 0 "[ . 1 . 2]" 1
1256 1 72 PHE CG 1 74 VAL QG 8.000 . 8.000 3.775 3.358 4.305 . 0 0 "[ . 1 . 2]" 1
1257 1 72 PHE CG 1 78 ASN HA 7.600 . 7.600 4.868 4.123 5.506 . 0 0 "[ . 1 . 2]" 1
1258 1 72 PHE CG 1 78 ASN HB3 7.500 . 7.500 6.564 5.408 7.496 . 0 0 "[ . 1 . 2]" 1
1259 1 72 PHE CG 1 78 ASN HB2 7.500 . 7.500 5.471 4.032 6.933 . 0 0 "[ . 1 . 2]" 1
1260 1 72 PHE CG 1 78 ASN QB 7.200 . 7.200 5.169 3.927 6.147 . 0 0 "[ . 1 . 2]" 1
1261 1 72 PHE CZ 1 78 ASN QB 8.400 . 8.400 7.308 6.098 8.000 . 0 0 "[ . 1 . 2]" 1
1262 1 72 PHE HZ 1 78 ASN QB 8.800 . 8.800 8.191 7.009 8.826 0.026 14 0 "[ . 1 . 2]" 1
1263 1 73 GLY H 1 73 GLY HA3 2.800 . 2.800 2.828 2.761 2.886 0.086 20 0 "[ . 1 . 2]" 1
1264 1 73 GLY H 1 73 GLY HA2 2.800 . 2.800 2.301 2.290 2.324 . 0 0 "[ . 1 . 2]" 1
1265 1 73 GLY H 1 73 GLY QA 2.500 . 2.500 2.205 2.187 2.233 . 0 0 "[ . 1 . 2]" 1
1266 1 73 GLY H 1 74 VAL H 3.000 . 3.000 2.749 2.665 2.841 . 0 0 "[ . 1 . 2]" 1
1267 1 73 GLY H 1 74 VAL QG 7.600 . 7.600 3.841 3.675 4.074 . 0 0 "[ . 1 . 2]" 1
1268 1 73 GLY H 1 75 GLY H 4.000 . 4.000 4.000 3.908 4.046 0.046 10 0 "[ . 1 . 2]" 1
1269 1 73 GLY HA3 1 74 VAL H 3.500 . 3.500 3.274 3.044 3.424 . 0 0 "[ . 1 . 2]" 1
1270 1 73 GLY HA2 1 74 VAL H 3.500 . 3.500 3.265 3.082 3.454 . 0 0 "[ . 1 . 2]" 1
1271 1 74 VAL H 1 74 VAL HB 4.000 . 4.000 3.730 3.646 3.812 . 0 0 "[ . 1 . 2]" 1
1272 1 74 VAL H 1 74 VAL QG . . 4.000 1.954 1.810 2.221 . 0 0 "[ . 1 . 2]" 1
1273 1 74 VAL H 1 75 GLY H 2.800 . 2.800 2.309 1.938 2.814 0.014 1 0 "[ . 1 . 2]" 1
1274 1 74 VAL H 1 75 GLY QA 4.800 . 4.800 3.976 3.792 4.240 . 0 0 "[ . 1 . 2]" 1
1275 1 74 VAL HA 1 74 VAL HB 2.500 . 2.500 2.466 2.397 2.520 0.020 10 0 "[ . 1 . 2]" 1
1276 1 74 VAL HA 1 75 GLY H 3.600 . 3.600 3.331 2.672 3.575 . 0 0 "[ . 1 . 2]" 1
1277 1 74 VAL HB 1 75 GLY H 4.500 . 4.500 3.856 3.461 4.405 . 0 0 "[ . 1 . 2]" 1
1278 1 74 VAL HB 1 77 LYS H 3.700 . 3.700 3.147 2.701 3.585 . 0 0 "[ . 1 . 2]" 1
1279 1 74 VAL HB 1 78 ASN H 4.800 . 4.800 4.277 3.734 4.819 0.019 17 0 "[ . 1 . 2]" 1
1280 1 74 VAL QG 1 75 GLY H 6.000 . 6.000 2.378 1.793 3.629 0.007 11 0 "[ . 1 . 2]" 1
1281 1 74 VAL QG 1 78 ASN H . . 5.500 2.622 2.084 3.729 . 0 0 "[ . 1 . 2]" 1
1282 1 74 VAL QG 1 77 LYS H 7.500 . 7.500 2.958 2.337 3.644 . 0 0 "[ . 1 . 2]" 1
1283 1 74 VAL QG 1 78 ASN HA 7.600 . 7.600 2.474 1.964 3.403 . 0 0 "[ . 1 . 2]" 1
1284 1 75 GLY H 1 75 GLY QA 2.600 . 2.600 2.205 2.186 2.238 . 0 0 "[ . 1 . 2]" 1
1285 1 75 GLY H 1 76 THR H 4.200 . 4.200 3.507 2.927 3.938 . 0 0 "[ . 1 . 2]" 1
1286 1 75 GLY H 1 78 ASN QB 3.700 . 3.700 2.573 1.887 3.669 . 0 0 "[ . 1 . 2]" 1
1287 1 75 GLY HA3 1 76 THR H 3.400 . 3.400 2.614 2.343 2.968 . 0 0 "[ . 1 . 2]" 1
1288 1 75 GLY HA2 1 76 THR H 3.400 . 3.400 3.504 3.464 3.528 0.128 19 0 "[ . 1 . 2]" 1
1289 1 75 GLY QA 1 76 THR H 3.000 . 3.000 2.536 2.310 2.808 . 0 0 "[ . 1 . 2]" 1
1290 1 75 GLY QA 1 77 LYS H 5.200 . 5.200 4.402 3.756 4.760 . 0 0 "[ . 1 . 2]" 1
1291 1 75 GLY QA 1 78 ASN H 5.700 . 5.700 3.350 2.778 3.677 . 0 0 "[ . 1 . 2]" 1
1292 1 76 THR H 1 76 THR HB 2.600 . 2.600 2.591 2.502 2.608 0.008 14 0 "[ . 1 . 2]" 1
1293 1 76 THR H 1 76 THR HG1 4.300 . 4.300 2.657 1.982 3.157 . 0 0 "[ . 1 . 2]" 1
1294 1 76 THR H 1 77 LYS H 3.100 . 3.100 3.082 2.930 3.156 0.056 10 0 "[ . 1 . 2]" 1
1295 1 76 THR HB 1 77 LYS H 3.200 . 3.200 2.164 1.978 2.527 . 0 0 "[ . 1 . 2]" 1
1296 1 76 THR HB 1 78 ASN H 4.300 . 4.300 4.292 4.109 4.339 0.039 11 0 "[ . 1 . 2]" 1
1297 1 76 THR HG1 1 77 LYS H 6.000 . 6.000 3.005 2.587 3.314 . 0 0 "[ . 1 . 2]" 1
1298 1 77 LYS H 1 77 LYS HA 2.800 . 2.800 2.892 2.878 2.918 0.118 11 0 "[ . 1 . 2]" 1
1299 1 77 LYS H 1 77 LYS QB 3.900 . 3.900 2.771 2.391 3.156 . 0 0 "[ . 1 . 2]" 1
1300 1 77 LYS H 1 77 LYS HG3 3.700 . 3.700 2.885 1.932 3.706 0.006 10 0 "[ . 1 . 2]" 1
1301 1 77 LYS H 1 77 LYS HG2 3.700 . 3.700 2.625 1.944 3.746 0.046 10 0 "[ . 1 . 2]" 1
1302 1 77 LYS H 1 77 LYS QG 3.500 . 3.500 2.263 1.832 3.319 . 0 0 "[ . 1 . 2]" 1
1303 1 77 LYS H 1 77 LYS QD 6.000 . 6.000 3.739 1.781 4.818 0.019 10 0 "[ . 1 . 2]" 1
1304 1 77 LYS H 1 78 ASN H 2.600 . 2.600 2.474 1.916 2.625 0.025 19 0 "[ . 1 . 2]" 1
1305 1 77 LYS HA 1 77 LYS QE 6.000 . 6.000 4.541 3.316 5.514 . 0 0 "[ . 1 . 2]" 1
1306 1 77 LYS HA 1 78 ASN H 3.100 . 3.100 3.095 2.922 3.144 0.044 17 0 "[ . 1 . 2]" 1
1307 1 77 LYS QB 1 78 ASN H 5.100 . 5.100 3.819 3.580 4.005 . 0 0 "[ . 1 . 2]" 1
1308 1 77 LYS HG3 1 78 ASN H 5.000 . 5.000 4.451 3.264 5.032 0.032 10 0 "[ . 1 . 2]" 1
1309 1 77 LYS HG2 1 78 ASN H 5.000 . 5.000 4.320 3.278 5.048 0.048 12 0 "[ . 1 . 2]" 1
1310 1 77 LYS QG 1 78 ASN H 4.700 . 4.700 3.787 3.216 4.452 . 0 0 "[ . 1 . 2]" 1
1311 1 77 LYS QD 1 78 ASN H 6.000 . 6.000 5.103 2.370 5.979 . 0 0 "[ . 1 . 2]" 1
1312 1 78 ASN H 1 78 ASN HB3 3.300 . 3.300 2.439 2.058 3.317 0.017 8 0 "[ . 1 . 2]" 1
1313 1 78 ASN H 1 78 ASN HB2 3.300 . 3.300 2.921 2.052 3.517 0.217 15 0 "[ . 1 . 2]" 1
1314 1 78 ASN H 1 78 ASN QB 2.800 . 2.800 2.185 2.030 2.585 . 0 0 "[ . 1 . 2]" 1
1315 1 79 PRO HA 1 80 LYS H 2.400 . 2.400 2.246 2.178 2.340 . 0 0 "[ . 1 . 2]" 1
1316 1 79 PRO QB 1 80 LYS H 4.300 . 4.300 3.748 3.693 3.855 . 0 0 "[ . 1 . 2]" 1
1317 1 80 LYS H 1 80 LYS HB3 3.600 . 3.600 3.218 2.411 3.649 0.049 7 0 "[ . 1 . 2]" 1
1318 1 80 LYS H 1 80 LYS HB2 3.600 . 3.600 3.247 2.379 3.651 0.051 2 0 "[ . 1 . 2]" 1
1319 1 80 LYS H 1 80 LYS QB 3.400 . 3.400 2.787 2.301 3.169 . 0 0 "[ . 1 . 2]" 1
1320 1 80 LYS H 1 80 LYS QD 6.000 . 6.000 3.253 1.886 4.577 . 0 0 "[ . 1 . 2]" 1
1321 1 80 LYS H 1 80 LYS QE 7.000 . 7.000 3.942 1.903 5.235 . 0 0 "[ . 1 . 2]" 1
1322 1 80 LYS H 1 81 LEU H 5.000 . 5.000 4.407 4.235 4.596 . 0 0 "[ . 1 . 2]" 1
1323 1 80 LYS HA 1 81 LEU H 2.400 . 2.400 2.205 2.127 2.407 0.007 8 0 "[ . 1 . 2]" 1
1324 1 80 LYS HA 1 82 THR HG1 7.200 . 7.200 6.182 4.988 6.968 . 0 0 "[ . 1 . 2]" 1
1325 1 80 LYS HB3 1 81 LEU H 4.100 . 4.100 3.831 2.800 4.154 0.054 3 0 "[ . 1 . 2]" 1
1326 1 80 LYS HB2 1 81 LEU H 4.100 . 4.100 3.640 2.686 4.118 0.018 7 0 "[ . 1 . 2]" 1
1327 1 80 LYS QB 1 81 LEU H 3.900 . 3.900 3.244 2.533 3.639 . 0 0 "[ . 1 . 2]" 1
1328 1 80 LYS QB 1 81 LEU HA 4.800 . 4.800 4.400 3.783 4.798 . 0 0 "[ . 1 . 2]" 1
1329 1 80 LYS QG 1 81 LEU H 6.000 . 6.000 4.081 2.001 4.833 . 0 0 "[ . 1 . 2]" 1
1330 1 80 LYS QD 1 81 LEU H 6.000 . 6.000 4.940 3.360 5.732 . 0 0 "[ . 1 . 2]" 1
1331 1 81 LEU H 1 81 LEU HA 2.800 . 2.800 2.901 2.835 2.926 0.126 5 0 "[ . 1 . 2]" 1
1332 1 81 LEU H 1 81 LEU QB 3.500 . 3.500 2.453 2.018 3.087 . 0 0 "[ . 1 . 2]" 1
1333 1 81 LEU H 1 81 LEU HG 4.100 . 4.100 3.417 1.918 4.300 0.200 7 0 "[ . 1 . 2]" 1
1334 1 81 LEU H 1 82 THR H 5.000 . 5.000 4.285 3.690 4.629 . 0 0 "[ . 1 . 2]" 1
1335 1 81 LEU H 1 83 ILE H 7.200 . 7.200 5.996 5.053 7.074 . 0 0 "[ . 1 . 2]" 1
1336 1 81 LEU HA 1 82 THR H 2.400 . 2.400 2.271 2.133 2.442 0.042 10 0 "[ . 1 . 2]" 1
1337 1 81 LEU QB 1 82 THR H 6.500 . 6.500 3.312 2.362 4.023 . 0 0 "[ . 1 . 2]" 1
1338 1 81 LEU QB 1 82 THR HA 5.300 . 5.300 4.535 3.961 5.118 . 0 0 "[ . 1 . 2]" 1
1339 1 81 LEU HG 1 82 THR H 4.800 . 4.800 4.468 3.880 4.857 0.057 10 0 "[ . 1 . 2]" 1
1340 1 81 LEU QD 1 82 THR H . . 5.600 2.977 1.818 4.289 . 0 0 "[ . 1 . 2]" 1
1341 1 81 LEU QD 1 82 THR HA 7.600 . 7.600 4.062 2.627 5.319 . 0 0 "[ . 1 . 2]" 1
1342 1 82 THR H 1 82 THR HB 3.300 . 3.300 2.889 2.566 3.320 0.020 10 0 "[ . 1 . 2]" 1
1343 1 82 THR H 1 83 ILE H 5.000 . 5.000 4.211 3.759 4.492 . 0 0 "[ . 1 . 2]" 1
1344 1 82 THR HA 1 83 ILE H 2.500 . 2.500 2.168 2.107 2.292 . 0 0 "[ . 1 . 2]" 1
1345 1 82 THR HB 1 83 ILE H 4.400 . 4.400 4.239 3.634 4.427 0.027 11 0 "[ . 1 . 2]" 1
1346 1 82 THR HG1 1 83 ILE H 4.700 . 4.700 3.419 2.108 4.113 . 0 0 "[ . 1 . 2]" 1
1347 1 83 ILE H 1 83 ILE HB 3.200 . 3.200 2.710 2.292 3.419 0.219 17 0 "[ . 1 . 2]" 1
1348 1 83 ILE H 1 84 THR H 5.100 . 5.100 4.342 3.753 4.535 . 0 0 "[ . 1 . 2]" 1
1349 1 83 ILE HA 1 84 THR H 2.400 . 2.400 2.163 2.107 2.284 . 0 0 "[ . 1 . 2]" 1
1350 1 83 ILE HB 1 84 THR H 5.000 . 5.000 4.241 3.641 4.567 . 0 0 "[ . 1 . 2]" 1
1351 1 83 ILE MD 1 84 THR H 4.500 . 4.500 4.485 4.084 4.590 0.090 8 0 "[ . 1 . 2]" 1
1352 1 84 THR H 1 84 THR HA 2.900 . 2.900 2.909 2.850 2.938 0.038 12 0 "[ . 1 . 2]" 1
1353 1 84 THR H 1 84 THR HB 3.300 . 3.300 2.797 2.310 3.366 0.066 13 0 "[ . 1 . 2]" 1
1354 1 84 THR H 1 85 VAL H 4.400 . 4.400 4.258 4.012 4.448 0.048 16 0 "[ . 1 . 2]" 1
1355 1 84 THR HA 1 85 VAL H 2.800 . 2.800 2.168 2.109 2.264 . 0 0 "[ . 1 . 2]" 1
1356 1 84 THR HB 1 85 VAL H 4.600 . 4.600 4.198 3.805 4.547 . 0 0 "[ . 1 . 2]" 1
1357 1 84 THR HG1 1 85 VAL H 4.700 . 4.700 3.185 2.806 3.519 . 0 0 "[ . 1 . 2]" 1
1358 1 85 VAL H 1 85 VAL HB 3.300 . 3.300 3.100 2.558 3.500 0.200 6 0 "[ . 1 . 2]" 1
1359 1 85 VAL HA 1 86 LEU H 3.200 . 3.200 2.142 2.048 2.210 . 0 0 "[ . 1 . 2]" 1
1360 1 85 VAL HB 1 86 LEU H 4.000 . 4.000 4.010 3.808 4.133 0.133 8 0 "[ . 1 . 2]" 1
1361 1 85 VAL QG 1 86 LEU H . . 5.600 2.930 2.225 3.644 . 0 0 "[ . 1 . 2]" 1
1362 1 85 VAL QG 1 88 LYS QG 8.800 . 8.800 5.676 3.963 7.058 . 0 0 "[ . 1 . 2]" 1
1363 1 86 LEU H 1 86 LEU HA 2.900 . 2.900 2.905 2.802 2.946 0.046 17 0 "[ . 1 . 2]" 1
1364 1 86 LEU H 1 86 LEU HG 4.200 . 4.200 2.598 1.834 3.848 . 0 0 "[ . 1 . 2]" 1
1365 1 86 LEU HA 1 87 PRO HD3 3.800 . 3.800 2.506 2.270 3.059 . 0 0 "[ . 1 . 2]" 1
1366 1 86 LEU HA 1 87 PRO HD2 3.800 . 3.800 2.406 1.998 3.030 . 0 0 "[ . 1 . 2]" 1
1367 1 86 LEU HA 1 87 PRO QD 3.300 . 3.300 2.118 1.947 2.261 . 0 0 "[ . 1 . 2]" 1
1368 1 87 PRO HA 1 88 LYS H 3.300 . 3.300 2.677 2.133 3.473 0.173 9 0 "[ . 1 . 2]" 1
1369 1 87 PRO HB3 1 88 LYS H 4.000 . 4.000 3.751 2.426 4.090 0.090 4 0 "[ . 1 . 2]" 1
1370 1 87 PRO HB2 1 88 LYS H 4.000 . 4.000 3.067 1.757 3.870 0.043 11 0 "[ . 1 . 2]" 1
1371 1 87 PRO QB 1 88 LYS H 3.600 . 3.600 2.916 1.747 3.508 0.053 11 0 "[ . 1 . 2]" 1
1372 1 87 PRO HG3 1 88 LYS H 5.800 . 5.800 4.806 3.544 5.737 . 0 0 "[ . 1 . 2]" 1
1373 1 87 PRO HG2 1 88 LYS H 5.800 . 5.800 3.918 2.002 5.292 . 0 0 "[ . 1 . 2]" 1
1374 1 87 PRO QG 1 88 LYS H 5.300 . 5.300 3.713 1.991 4.885 . 0 0 "[ . 1 . 2]" 1
1375 1 87 PRO HD3 1 88 LYS H 5.600 . 5.600 4.925 3.570 5.639 0.039 5 0 "[ . 1 . 2]" 1
1376 1 87 PRO HD2 1 88 LYS H 5.600 . 5.600 4.525 2.269 5.612 0.012 16 0 "[ . 1 . 2]" 1
1377 1 88 LYS H 1 88 LYS HA 2.900 . 2.900 2.779 2.707 2.823 . 0 0 "[ . 1 . 2]" 1
1378 1 88 LYS H 1 88 LYS HB3 3.300 . 3.300 3.324 2.827 3.502 0.202 4 0 "[ . 1 . 2]" 1
1379 1 88 LYS H 1 88 LYS HB2 3.300 . 3.300 2.980 2.067 3.324 0.024 2 0 "[ . 1 . 2]" 1
1380 1 88 LYS H 1 88 LYS QB 3.000 . 3.000 2.734 2.047 2.963 . 0 0 "[ . 1 . 2]" 1
1381 1 88 LYS H 1 88 LYS HG3 5.000 . 5.000 2.467 1.760 4.226 0.040 1 0 "[ . 1 . 2]" 1
1382 1 88 LYS H 1 88 LYS HG2 5.000 . 5.000 2.722 1.745 4.573 0.055 4 0 "[ . 1 . 2]" 1
1383 1 88 LYS H 1 88 LYS QD 5.100 . 5.100 3.368 2.027 4.774 . 0 0 "[ . 1 . 2]" 1
1384 1 88 LYS H 1 88 LYS QE 6.000 . 6.000 3.676 1.974 5.236 . 0 0 "[ . 1 . 2]" 1
1385 1 88 LYS H 1 89 ASP H 5.000 . 5.000 4.582 4.404 4.654 . 0 0 "[ . 1 . 2]" 1
1386 1 88 LYS HA 1 89 ASP H 2.400 . 2.400 2.275 2.138 2.428 0.028 12 0 "[ . 1 . 2]" 1
1387 1 88 LYS HB3 1 89 ASP H 3.900 . 3.900 3.194 2.608 3.896 . 0 0 "[ . 1 . 2]" 1
1388 1 88 LYS HB2 1 89 ASP H 3.900 . 3.900 3.519 2.849 3.919 0.019 12 0 "[ . 1 . 2]" 1
1389 1 88 LYS HG3 1 89 ASP H 5.500 . 5.500 4.700 2.603 5.436 . 0 0 "[ . 1 . 2]" 1
1390 1 88 LYS HG2 1 89 ASP H 5.500 . 5.500 4.658 1.948 5.507 0.007 1 0 "[ . 1 . 2]" 1
1391 1 88 LYS QG 1 89 ASP H 5.200 . 5.200 4.150 1.896 4.720 . 0 0 "[ . 1 . 2]" 1
1392 1 88 LYS QD 1 89 ASP H 6.000 . 6.000 4.894 3.820 5.808 . 0 0 "[ . 1 . 2]" 1
1393 1 88 LYS QE 1 89 ASP H 6.000 . 6.000 5.507 4.091 6.008 0.008 7 0 "[ . 1 . 2]" 1
1394 1 89 ASP H 1 89 ASP HB3 3.200 . 3.200 3.087 2.458 3.280 0.080 1 0 "[ . 1 . 2]" 1
1395 1 89 ASP H 1 89 ASP HB2 3.200 . 3.200 2.876 2.221 3.296 0.096 1 0 "[ . 1 . 2]" 1
1396 1 89 ASP H 1 90 ILE H 6.700 . 6.700 4.173 2.700 4.604 . 0 0 "[ . 1 . 2]" 1
1397 1 89 ASP HA 1 89 ASP QB 2.700 . 2.700 2.390 2.147 2.534 . 0 0 "[ . 1 . 2]" 1
1398 1 89 ASP HA 1 90 ILE H 2.800 . 2.800 2.428 2.141 2.868 0.068 7 0 "[ . 1 . 2]" 1
1399 1 89 ASP HB3 1 90 ILE H 4.200 . 4.200 3.544 2.417 4.199 . 0 0 "[ . 1 . 2]" 1
1400 1 89 ASP HB2 1 90 ILE H 4.200 . 4.200 3.866 1.950 4.262 0.062 17 0 "[ . 1 . 2]" 1
1401 1 90 ILE H 1 90 ILE HB 3.400 . 3.400 2.921 2.548 3.417 0.017 20 0 "[ . 1 . 2]" 1
1402 1 90 ILE H 1 90 ILE HG13 5.000 . 5.000 3.991 2.050 5.013 0.013 7 0 "[ . 1 . 2]" 1
1403 1 90 ILE H 1 90 ILE HG12 5.000 . 5.000 3.642 2.266 5.002 0.002 18 0 "[ . 1 . 2]" 1
1404 1 90 ILE HA 1 91 PRO HD3 3.600 . 3.600 2.667 2.283 3.822 0.222 1 0 "[ . 1 . 2]" 1
1405 1 90 ILE HA 1 91 PRO HD2 3.600 . 3.600 2.341 1.964 3.753 0.153 1 0 "[ . 1 . 2]" 1
1406 1 90 ILE HA 1 91 PRO QD 3.400 . 3.400 2.165 1.913 3.373 . 0 0 "[ . 1 . 2]" 1
1407 1 90 ILE QG 1 92 GLY H 7.500 . 7.500 4.833 4.060 5.846 . 0 0 "[ . 1 . 2]" 1
1408 1 90 ILE QG 1 93 LEU H 7.100 . 7.100 5.281 2.979 6.607 . 0 0 "[ . 1 . 2]" 1
1409 1 91 PRO HA 1 92 GLY H 2.400 . 2.400 2.225 2.151 2.401 0.001 6 0 "[ . 1 . 2]" 1
1410 1 91 PRO HA 1 93 LEU H 3.700 . 3.700 3.668 3.448 3.703 0.003 6 0 "[ . 1 . 2]" 1
1411 1 91 PRO HB3 1 92 GLY H 4.200 . 4.200 3.885 3.458 4.201 0.001 10 0 "[ . 1 . 2]" 1
1412 1 91 PRO HB2 1 92 GLY H 4.200 . 4.200 3.322 2.624 3.819 . 0 0 "[ . 1 . 2]" 1
1413 1 91 PRO QB 1 92 GLY H 3.900 . 3.900 3.136 2.549 3.544 . 0 0 "[ . 1 . 2]" 1
1414 1 91 PRO QG 1 92 GLY H 5.400 . 5.400 4.538 4.169 4.741 . 0 0 "[ . 1 . 2]" 1
1415 1 92 GLY H 1 92 GLY QA 2.600 . 2.600 2.328 2.187 2.501 . 0 0 "[ . 1 . 2]" 1
1416 1 92 GLY H 1 93 LEU H 3.500 . 3.500 2.298 1.946 2.974 . 0 0 "[ . 1 . 2]" 1
1417 1 92 GLY QA 1 93 LEU H 3.100 . 3.100 2.791 2.688 2.858 . 0 0 "[ . 1 . 2]" 1
1418 1 93 LEU H 1 93 LEU QB 3.600 . 3.600 2.789 2.104 3.388 . 0 0 "[ . 1 . 2]" 1
1419 1 93 LEU H 1 94 GLU H 4.200 . 4.200 3.647 2.474 4.228 0.028 17 0 "[ . 1 . 2]" 1
1420 1 93 LEU HA 1 94 GLU H 2.900 . 2.900 2.389 2.140 2.900 . 0 0 "[ . 1 . 2]" 1
1421 1 93 LEU QB 1 94 GLU H 4.700 . 4.700 3.599 1.877 4.043 . 0 0 "[ . 1 . 2]" 1
1422 1 94 GLU H 1 94 GLU HG3 5.000 . 5.000 4.103 2.400 5.001 0.001 13 0 "[ . 1 . 2]" 1
1423 1 94 GLU H 1 94 GLU HG2 5.000 . 5.000 3.996 2.153 5.000 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 103
_Distance_constraint_stats_list.Viol_count 906
_Distance_constraint_stats_list.Viol_total 2004.036
_Distance_constraint_stats_list.Viol_max 2.278
_Distance_constraint_stats_list.Viol_rms 0.2442
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0486
_Distance_constraint_stats_list.Viol_average_violations_only 0.1106
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.513 0.057 10 0 "[ . 1 . 2]"
1 5 THR 2.485 0.121 10 0 "[ . 1 . 2]"
1 9 THR 0.320 0.048 4 0 "[ . 1 . 2]"
1 11 ILE 0.406 0.043 17 0 "[ . 1 . 2]"
1 13 ALA 0.809 0.076 10 0 "[ . 1 . 2]"
1 14 LYS 1.440 0.184 10 0 "[ . 1 . 2]"
1 15 ALA 0.370 0.070 4 0 "[ . 1 . 2]"
1 16 GLY 3.948 0.248 13 0 "[ . 1 . 2]"
1 17 SER 3.267 0.184 10 0 "[ . 1 . 2]"
1 18 PHE 3.850 0.248 13 0 "[ . 1 . 2]"
1 19 ALA 1.924 0.160 10 0 "[ . 1 . 2]"
1 21 THR 1.442 0.118 5 0 "[ . 1 . 2]"
1 23 ILE 0.636 0.106 15 0 "[ . 1 . 2]"
1 25 LEU 0.387 0.119 10 0 "[ . 1 . 2]"
1 26 THR 2.485 0.121 10 0 "[ . 1 . 2]"
1 27 PRO 2.670 0.149 4 0 "[ . 1 . 2]"
1 29 GLY 2.357 0.149 4 0 "[ . 1 . 2]"
1 30 ASN 0.826 0.057 10 0 "[ . 1 . 2]"
1 31 THR 0.329 0.059 16 0 "[ . 1 . 2]"
1 32 PHE 0.329 0.059 16 0 "[ . 1 . 2]"
1 33 ASN 0.232 0.046 2 0 "[ . 1 . 2]"
1 34 GLY 0.554 0.087 15 0 "[ . 1 . 2]"
1 35 ILE 1.504 0.116 8 0 "[ . 1 . 2]"
1 37 GLU 62.477 2.278 9 16 "[* * *** +1**-*******]"
1 38 LEU 1.123 0.116 8 0 "[ . 1 . 2]"
1 39 GLN 0.354 0.067 8 0 "[ . 1 . 2]"
1 40 SER 1.438 0.095 16 0 "[ . 1 . 2]"
1 42 GLN 1.518 0.079 13 0 "[ . 1 . 2]"
1 43 TYR 1.818 0.095 16 0 "[ . 1 . 2]"
1 44 THR 1.666 0.099 12 0 "[ . 1 . 2]"
1 46 GLY 2.374 0.110 7 0 "[ . 1 . 2]"
1 48 ASN 0.387 0.119 10 0 "[ . 1 . 2]"
1 49 GLU 2.374 0.110 7 0 "[ . 1 . 2]"
1 50 VAL 0.636 0.106 15 0 "[ . 1 . 2]"
1 51 THR 1.666 0.099 12 0 "[ . 1 . 2]"
1 52 LEU 1.442 0.118 5 0 "[ . 1 . 2]"
1 53 LEU 4.571 0.149 6 0 "[ . 1 . 2]"
1 55 SER 2.654 0.149 6 0 "[ . 1 . 2]"
1 56 TYR 1.622 0.126 12 0 "[ . 1 . 2]"
1 57 LEU 0.698 0.075 6 0 "[ . 1 . 2]"
1 59 THR 0.096 0.020 1 0 "[ . 1 . 2]"
1 60 LEU 1.471 0.126 12 0 "[ . 1 . 2]"
1 64 THR 0.825 0.135 11 0 "[ . 1 . 2]"
1 66 LYS 1.515 0.092 13 0 "[ . 1 . 2]"
1 68 LEU 1.168 0.117 19 0 "[ . 1 . 2]"
1 69 THR 62.477 2.278 9 16 "[* * *** +1**-*******]"
1 70 PHE 0.959 0.099 19 0 "[ . 1 . 2]"
1 71 ASP 0.786 0.087 15 0 "[ . 1 . 2]"
1 72 PHE 0.940 0.065 19 0 "[ . 1 . 2]"
1 74 VAL 0.861 0.065 19 0 "[ . 1 . 2]"
1 75 GLY 0.165 0.046 5 0 "[ . 1 . 2]"
1 76 THR 0.078 0.024 8 0 "[ . 1 . 2]"
1 78 ASN 0.645 0.056 19 0 "[ . 1 . 2]"
1 79 PRO 0.713 0.099 19 0 "[ . 1 . 2]"
1 80 LYS 0.391 0.056 19 0 "[ . 1 . 2]"
1 81 LEU 1.168 0.117 19 0 "[ . 1 . 2]"
1 82 THR 0.564 0.048 4 0 "[ . 1 . 2]"
1 83 ILE 1.515 0.092 13 0 "[ . 1 . 2]"
1 84 THR 0.212 0.035 9 0 "[ . 1 . 2]"
1 85 VAL 0.825 0.135 11 0 "[ . 1 . 2]"
1 86 LEU 1.128 0.076 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP N 1 30 ASN OD1 3.000 . 3.000 2.413 2.316 2.500 . 0 0 "[ . 1 . 2]" 2
2 1 3 ASP H 1 30 ASN OD1 2.000 . 2.000 1.920 1.788 2.009 0.012 15 0 "[ . 1 . 2]" 2
3 1 14 LYS H 1 17 SER OG 2.500 . 2.500 2.554 2.501 2.684 0.184 10 0 "[ . 1 . 2]" 2
4 1 35 ILE H 1 43 TYR OH 2.000 . 2.000 1.907 1.782 2.076 0.076 15 0 "[ . 1 . 2]" 2
5 1 5 THR N 1 26 THR O 3.000 . 3.000 3.030 3.001 3.055 0.055 11 0 "[ . 1 . 2]" 2
6 1 5 THR O 1 26 THR N 3.500 . 3.500 2.740 2.431 3.283 . 0 0 "[ . 1 . 2]" 2
7 1 5 THR O 1 26 THR H 2.500 . 2.500 1.958 1.773 2.512 0.027 4 0 "[ . 1 . 2]" 2
8 1 9 THR O 1 82 THR N 3.000 . 3.000 2.830 2.541 3.001 0.001 14 0 "[ . 1 . 2]" 2
9 1 9 THR O 1 82 THR H 2.000 . 2.000 1.985 1.790 2.048 0.048 4 0 "[ . 1 . 2]" 2
10 1 11 ILE N 1 82 THR O 3.000 . 3.000 2.855 2.537 3.005 0.005 17 0 "[ . 1 . 2]" 2
11 1 11 ILE O 1 84 THR N 3.000 . 3.000 2.794 2.638 2.978 . 0 0 "[ . 1 . 2]" 2
12 1 11 ILE O 1 84 THR H 2.000 . 2.000 1.889 1.765 2.028 0.035 9 0 "[ . 1 . 2]" 2
13 1 13 ALA N 1 84 THR O 3.000 . 3.000 2.868 2.746 2.990 . 0 0 "[ . 1 . 2]" 2
14 1 13 ALA O 1 86 LEU N 3.000 . 3.000 2.945 2.739 3.016 0.016 12 0 "[ . 1 . 2]" 2
15 1 13 ALA O 1 86 LEU H 2.000 . 2.000 2.016 1.794 2.076 0.076 10 0 "[ . 1 . 2]" 2
16 1 14 LYS N 1 17 SER OG 3.500 . 3.500 2.963 2.874 3.526 0.026 10 0 "[ . 1 . 2]" 2
17 1 14 LYS O 1 16 GLY N 3.500 . 3.500 2.718 2.566 2.793 . 0 0 "[ . 1 . 2]" 2
18 1 14 LYS O 1 16 GLY H 2.500 . 2.500 2.466 2.111 2.526 0.026 13 0 "[ . 1 . 2]" 2
19 1 14 LYS O 1 17 SER N 3.000 . 3.000 2.756 2.575 2.895 . 0 0 "[ . 1 . 2]" 2
20 1 14 LYS O 1 17 SER H 2.000 . 2.000 1.910 1.741 2.019 0.059 10 0 "[ . 1 . 2]" 2
21 1 15 ALA N 1 86 LEU O 3.500 . 3.500 3.052 2.646 3.477 . 0 0 "[ . 1 . 2]" 2
22 1 16 GLY O 1 18 PHE N 3.000 . 3.000 2.738 2.717 2.856 . 0 0 "[ . 1 . 2]" 2
23 1 16 GLY O 1 18 PHE H 2.000 . 2.000 2.193 2.164 2.248 0.248 13 0 "[ . 1 . 2]" 2
24 1 17 SER O 1 19 ALA N 3.500 . 3.500 3.332 3.293 3.370 . 0 0 "[ . 1 . 2]" 2
25 1 17 SER O 1 19 ALA H 2.500 . 2.500 2.596 2.567 2.660 0.160 10 0 "[ . 1 . 2]" 2
26 1 21 THR N 1 52 LEU O 3.000 . 3.000 2.902 2.809 2.990 . 0 0 "[ . 1 . 2]" 2
27 1 21 THR O 1 52 LEU N 3.000 . 3.000 2.641 2.449 2.742 . 0 0 "[ . 1 . 2]" 2
28 1 21 THR O 1 52 LEU H 2.000 . 2.000 1.793 1.682 2.019 0.118 5 0 "[ . 1 . 2]" 2
29 1 23 ILE N 1 50 VAL O 3.000 . 3.000 2.472 2.306 2.630 . 0 0 "[ . 1 . 2]" 2
30 1 23 ILE O 1 50 VAL N 3.000 . 3.000 2.925 2.521 3.001 0.001 15 0 "[ . 1 . 2]" 2
31 1 23 ILE O 1 50 VAL H 2.000 . 2.000 1.982 1.791 2.032 0.032 1 0 "[ . 1 . 2]" 2
32 1 25 LEU N 1 48 ASN O 3.500 . 3.500 2.494 2.356 2.717 . 0 0 "[ . 1 . 2]" 2
33 1 27 PRO O 1 30 ASN H 2.500 . 2.500 1.804 1.765 2.023 0.035 19 0 "[ . 1 . 2]" 2
34 1 27 PRO O 1 30 ASN N 3.500 2.300 3.500 2.409 2.312 2.858 . 0 0 "[ . 1 . 2]" 2
35 1 31 THR OG1 1 32 PHE N 3.500 . 3.500 2.805 2.633 2.854 . 0 0 "[ . 1 . 2]" 2
36 1 31 THR OG1 1 32 PHE H 2.500 . 2.500 2.477 2.249 2.559 0.059 16 0 "[ . 1 . 2]" 2
37 1 33 ASN N 1 71 ASP O 3.000 . 3.000 2.704 2.496 2.903 . 0 0 "[ . 1 . 2]" 2
38 1 34 GLY O 1 71 ASP N 3.000 . 3.000 2.935 2.712 3.009 0.009 15 0 "[ . 1 . 2]" 2
39 1 34 GLY O 1 71 ASP H 2.000 . 2.000 2.012 1.753 2.087 0.087 15 0 "[ . 1 . 2]" 2
40 1 35 ILE N 1 43 TYR OH 3.000 . 3.000 2.729 2.477 3.023 0.023 8 0 "[ . 1 . 2]" 2
41 1 35 ILE O 1 38 LEU N 3.000 . 3.000 2.916 2.831 3.044 0.044 16 0 "[ . 1 . 2]" 2
42 1 35 ILE O 1 38 LEU H 2.000 . 2.000 2.052 2.011 2.116 0.116 8 0 "[ . 1 . 2]" 2
43 1 37 GLU OE2 1 69 THR N 3.000 . 3.000 4.354 2.592 5.147 2.147 9 16 "[* * *** +1**-*******]" 2
44 1 37 GLU OE2 1 69 THR H 2.000 . 2.000 3.710 2.012 4.278 2.278 9 16 "[* * *** +1**-*******]" 2
45 1 40 SER O 1 43 TYR N 3.000 . 3.000 2.633 2.528 2.915 . 0 0 "[ . 1 . 2]" 2
46 1 40 SER O 1 43 TYR H 2.000 . 2.000 1.736 1.705 1.967 0.095 16 0 "[ . 1 . 2]" 2
47 1 42 GLN O 1 53 LEU N 3.500 . 3.500 3.444 3.319 3.525 0.025 16 0 "[ . 1 . 2]" 2
48 1 42 GLN O 1 53 LEU H 2.500 . 2.500 2.555 2.521 2.579 0.079 13 0 "[ . 1 . 2]" 2
49 1 44 THR N 1 51 THR O 3.000 . 3.000 2.584 2.510 2.715 . 0 0 "[ . 1 . 2]" 2
50 1 44 THR O 1 51 THR N 3.000 . 3.000 2.856 2.664 3.006 0.006 14 0 "[ . 1 . 2]" 2
51 1 44 THR O 1 51 THR H 2.000 . 2.000 2.037 2.009 2.066 0.066 7 0 "[ . 1 . 2]" 2
52 1 46 GLY N 1 49 GLU O 3.000 . 3.000 2.517 2.393 2.677 . 0 0 "[ . 1 . 2]" 2
53 1 46 GLY H 1 49 GLU O 2.000 . 2.000 1.749 1.690 1.786 0.110 7 0 "[ . 1 . 2]" 2
54 1 46 GLY O 1 49 GLU N 3.000 . 3.000 2.809 2.551 3.010 0.010 7 0 "[ . 1 . 2]" 2
55 1 46 GLY O 1 49 GLU H 2.000 . 2.000 2.067 2.036 2.104 0.104 10 0 "[ . 1 . 2]" 2
56 1 53 LEU O 1 55 SER N 3.000 . 3.000 2.412 2.361 2.467 . 0 0 "[ . 1 . 2]" 2
57 1 53 LEU O 1 55 SER H 2.000 . 2.000 2.133 2.106 2.149 0.149 6 0 "[ . 1 . 2]" 2
58 1 53 LEU O 1 56 TYR N 3.000 . 3.000 2.729 2.565 2.868 . 0 0 "[ . 1 . 2]" 2
59 1 53 LEU O 1 56 TYR H 2.000 . 2.000 1.945 1.789 2.013 0.013 9 0 "[ . 1 . 2]" 2
60 1 53 LEU O 1 57 LEU N 3.500 . 3.500 3.415 3.295 3.502 0.002 3 0 "[ . 1 . 2]" 2
61 1 53 LEU O 1 57 LEU H 2.500 . 2.500 2.529 2.428 2.575 0.075 6 0 "[ . 1 . 2]" 2
62 1 56 TYR O 1 59 THR N 3.000 . 3.000 2.616 2.479 2.757 . 0 0 "[ . 1 . 2]" 2
63 1 56 TYR O 1 59 THR H 2.000 . 2.000 1.897 1.792 2.020 0.020 1 0 "[ . 1 . 2]" 2
64 1 56 TYR O 1 60 LEU N 3.000 . 3.000 2.854 2.700 2.947 . 0 0 "[ . 1 . 2]" 2
65 1 56 TYR O 1 60 LEU H 2.000 . 2.000 2.074 2.018 2.126 0.126 12 0 "[ . 1 . 2]" 2
66 1 64 THR N 1 85 VAL O 3.000 . 3.000 2.784 2.621 2.888 . 0 0 "[ . 1 . 2]" 2
67 1 64 THR H 1 85 VAL O 2.000 . 2.000 2.010 1.779 2.135 0.135 11 0 "[ . 1 . 2]" 2
68 1 64 THR O 1 85 VAL N 3.000 . 3.000 2.662 2.501 2.887 . 0 0 "[ . 1 . 2]" 2
69 1 64 THR O 1 85 VAL H 2.000 . 2.000 1.825 1.762 2.003 0.038 20 0 "[ . 1 . 2]" 2
70 1 66 LYS N 1 83 ILE O 3.000 . 3.000 2.480 2.351 2.646 . 0 0 "[ . 1 . 2]" 2
71 1 66 LYS O 1 83 ILE N 3.000 . 3.000 2.566 2.287 2.977 . 0 0 "[ . 1 . 2]" 2
72 1 66 LYS O 1 83 ILE H 2.000 . 2.000 1.839 1.730 2.030 0.070 9 0 "[ . 1 . 2]" 2
73 1 68 LEU N 1 81 LEU O 3.000 . 3.000 2.633 2.483 2.723 . 0 0 "[ . 1 . 2]" 2
74 1 68 LEU O 1 81 LEU N 3.000 . 3.000 2.874 2.658 3.004 0.004 20 0 "[ . 1 . 2]" 2
75 1 68 LEU O 1 81 LEU H 2.000 . 2.000 1.968 1.787 2.042 0.042 14 0 "[ . 1 . 2]" 2
76 1 70 PHE N 1 78 ASN QD 4.400 . 4.400 3.381 2.220 4.416 0.016 15 0 "[ . 1 . 2]" 2
77 1 70 PHE N 1 79 PRO O 3.500 . 3.500 3.450 3.354 3.519 0.019 19 0 "[ . 1 . 2]" 2
78 1 70 PHE O 1 72 PHE N 3.500 . 3.500 2.830 2.613 2.924 . 0 0 "[ . 1 . 2]" 2
79 1 70 PHE O 1 72 PHE H 2.500 . 2.500 2.378 2.007 2.534 0.034 19 0 "[ . 1 . 2]" 2
80 1 70 PHE O 1 78 ASN QD 3.400 . 3.400 2.335 1.779 3.405 0.021 18 0 "[ . 1 . 2]" 2
81 1 74 VAL O 1 76 THR N 3.500 . 3.500 2.634 2.483 2.975 . 0 0 "[ . 1 . 2]" 2
82 1 74 VAL O 1 76 THR H 2.500 . 2.500 2.019 1.776 2.505 0.024 8 0 "[ . 1 . 2]" 2
83 1 44 THR H 1 51 THR O 2.000 . 2.000 1.757 1.701 1.857 0.099 12 0 "[ . 1 . 2]" 2
84 1 66 LYS H 1 83 ILE O 2.000 . 2.000 2.049 1.830 2.092 0.092 13 0 "[ . 1 . 2]" 2
85 1 68 LEU H 1 81 LEU O 2.000 . 2.000 1.785 1.683 2.025 0.117 19 0 "[ . 1 . 2]" 2
86 1 70 PHE H 1 79 PRO O 2.500 . 2.500 2.532 2.446 2.599 0.099 19 0 "[ . 1 . 2]" 2
87 1 72 PHE O 1 74 VAL H 2.500 . 2.500 2.539 2.529 2.565 0.065 19 0 "[ . 1 . 2]" 2
88 1 75 GLY O 1 78 ASN H 2.500 . 2.500 2.329 1.965 2.546 0.046 5 0 "[ . 1 . 2]" 2
89 1 78 ASN O 1 80 LYS H 2.500 . 2.500 2.487 2.104 2.556 0.056 19 0 "[ . 1 . 2]" 2
90 1 3 ASP O 1 30 ASN ND2 3.000 . 3.000 3.023 2.994 3.057 0.057 10 0 "[ . 1 . 2]" 2
91 1 3 ASP O 1 30 ASN QD 2.900 . 2.900 2.152 2.058 2.445 . 0 0 "[ . 1 . 2]" 2
92 1 5 THR H 1 26 THR O 2.000 . 2.000 2.086 2.057 2.121 0.121 10 0 "[ . 1 . 2]" 2
93 1 11 ILE H 1 82 THR O 2.000 . 2.000 1.956 1.782 2.043 0.043 17 0 "[ . 1 . 2]" 2
94 1 13 ALA H 1 84 THR O 2.000 . 2.000 1.909 1.790 2.023 0.023 13 0 "[ . 1 . 2]" 2
95 1 15 ALA H 1 86 LEU O 2.500 . 2.500 2.180 1.774 2.570 0.070 4 0 "[ . 1 . 2]" 2
96 1 21 THR H 1 52 LEU O 2.000 . 2.000 2.034 2.004 2.102 0.102 13 0 "[ . 1 . 2]" 2
97 1 23 ILE H 1 50 VAL O 2.000 . 2.000 1.853 1.694 2.023 0.106 15 0 "[ . 1 . 2]" 2
98 1 25 LEU H 1 48 ASN O 2.500 . 2.500 1.842 1.681 2.005 0.119 10 0 "[ . 1 . 2]" 2
99 1 33 ASN H 1 71 ASP O 2.000 . 2.000 1.861 1.769 2.046 0.046 2 0 "[ . 1 . 2]" 2
100 1 39 GLN O 1 42 GLN H 2.000 . 2.000 1.916 1.757 2.067 0.067 8 0 "[ . 1 . 2]" 2
101 1 39 GLN O 1 42 GLN N 3.000 . 3.000 2.782 2.597 2.928 . 0 0 "[ . 1 . 2]" 2
102 1 27 PRO O 1 29 GLY H 2.000 . 2.000 1.704 1.651 1.963 0.149 4 0 "[ . 1 . 2]" 2
103 1 27 PRO O 1 29 GLY N 3.000 . 3.000 2.144 2.111 2.264 . 0 0 "[ . 1 . 2]" 2
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