NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378249 |
1gya   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gya
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 854
_Distance_constraint_stats_list.Viol_count 1231
_Distance_constraint_stats_list.Viol_total 1072.051
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0484
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 3 ILE 0.024 0.015 1 0 "[ . 1 . ]"
1 4 THR 0.172 0.019 3 0 "[ . 1 . ]"
1 5 ASN 0.592 0.043 3 0 "[ . 1 . ]"
1 6 ALA 0.569 0.043 3 0 "[ . 1 . ]"
1 7 LEU 0.967 0.081 5 0 "[ . 1 . ]"
1 8 GLU 0.577 0.081 5 0 "[ . 1 . ]"
1 9 THR 0.624 0.077 11 0 "[ . 1 . ]"
1 10 TRP 1.923 0.083 7 0 "[ . 1 . ]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ALA 0.060 0.022 4 0 "[ . 1 . ]"
1 13 LEU 1.966 0.374 15 0 "[ . 1 . ]"
1 14 GLY 1.414 0.193 7 0 "[ . 1 . ]"
1 15 GLN 3.822 0.295 17 0 "[ . 1 . ]"
1 16 ASP 2.655 0.143 11 0 "[ . 1 . ]"
1 17 ILE 0.581 0.067 2 0 "[ . 1 . ]"
1 18 ASN 0.054 0.022 3 0 "[ . 1 . ]"
1 19 LEU 1.233 0.135 17 0 "[ . 1 . ]"
1 20 ASP 2.024 0.160 9 0 "[ . 1 . ]"
1 21 ILE 1.678 0.160 9 0 "[ . 1 . ]"
1 22 PRO 0.888 0.348 1 0 "[ . 1 . ]"
1 23 SER 1.657 0.348 1 0 "[ . 1 . ]"
1 24 PHE 0.962 0.161 4 0 "[ . 1 . ]"
1 25 GLN 0.037 0.022 1 0 "[ . 1 . ]"
1 26 MET 0.021 0.013 15 0 "[ . 1 . ]"
1 27 SER 1.896 0.190 8 0 "[ . 1 . ]"
1 28 ASP 1.926 0.190 8 0 "[ . 1 . ]"
1 29 ASP 1.237 0.175 9 0 "[ . 1 . ]"
1 30 ILE 1.247 0.175 9 0 "[ . 1 . ]"
1 31 ASP 0.141 0.034 1 0 "[ . 1 . ]"
1 32 ASP 0.782 0.049 14 0 "[ . 1 . ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 34 LYS 0.532 0.078 4 0 "[ . 1 . ]"
1 35 TRP 5.928 0.324 11 0 "[ . 1 . ]"
1 36 GLU 0.051 0.019 4 0 "[ . 1 . ]"
1 37 LYS 1.873 0.198 9 0 "[ . 1 . ]"
1 38 THR 0.303 0.101 4 0 "[ . 1 . ]"
1 39 SER 0.035 0.035 10 0 "[ . 1 . ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 41 LYS 0.733 0.101 4 0 "[ . 1 . ]"
1 42 LYS 3.045 0.198 9 0 "[ . 1 . ]"
1 43 LYS 0.698 0.176 13 0 "[ . 1 . ]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ALA 0.050 0.029 9 0 "[ . 1 . ]"
1 46 GLN 1.097 0.632 15 1 "[ . 1 + ]"
1 47 PHE 0.108 0.036 4 0 "[ . 1 . ]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 49 LYS 1.273 0.271 1 0 "[ . 1 . ]"
1 50 GLU 1.604 0.271 1 0 "[ . 1 . ]"
1 51 LYS 3.602 0.225 18 0 "[ . 1 . ]"
1 52 GLU 3.274 0.150 18 0 "[ . 1 . ]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 54 PHE 0.818 0.632 15 1 "[ . 1 + ]"
1 55 LYS 0.050 0.029 9 0 "[ . 1 . ]"
1 57 LYS 0.040 0.019 14 0 "[ . 1 . ]"
1 58 ASP 3.060 0.143 16 0 "[ . 1 . ]"
1 59 THR 2.053 0.130 15 0 "[ . 1 . ]"
1 60 TYR 0.512 0.087 18 0 "[ . 1 . ]"
1 61 LYS 0.223 0.052 15 0 "[ . 1 . ]"
1 62 LEU 6.176 0.950 7 5 "[- . +* 1* . *]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 67 THR 0.446 0.089 1 0 "[ . 1 . ]"
1 68 LEU 4.618 0.950 7 5 "[- . +* 1* . *]"
1 69 LYS 0.002 0.002 18 0 "[ . 1 . ]"
1 70 ILE 1.007 0.195 4 0 "[ . 1 . ]"
1 71 LYS 3.650 0.195 4 0 "[ . 1 . ]"
1 72 HIS 0.237 0.051 2 0 "[ . 1 . ]"
1 73 LEU 6.178 0.335 15 0 "[ . 1 . ]"
1 74 LYS 5.018 0.374 15 0 "[ . 1 . ]"
1 75 THR 1.309 0.296 17 0 "[ . 1 . ]"
1 76 ASP 0.885 0.083 6 0 "[ . 1 . ]"
1 77 ASP 2.946 0.335 15 0 "[ . 1 . ]"
1 78 GLN 0.593 0.108 11 0 "[ . 1 . ]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 81 TYR 0.738 0.101 4 0 "[ . 1 . ]"
1 82 LYS 1.000 0.147 7 0 "[ . 1 . ]"
1 83 VAL 1.211 0.083 17 0 "[ . 1 . ]"
1 84 SER 0.617 0.049 17 0 "[ . 1 . ]"
1 85 ILE 0.171 0.021 14 0 "[ . 1 . ]"
1 86 TYR 0.945 0.049 14 0 "[ . 1 . ]"
1 87 ASP 0.716 0.096 4 0 "[ . 1 . ]"
1 88 THR 0.853 0.096 4 0 "[ . 1 . ]"
1 89 LYS 0.055 0.021 4 0 "[ . 1 . ]"
1 90 GLY 0.145 0.018 8 0 "[ . 1 . ]"
1 91 LYS 0.212 0.067 2 0 "[ . 1 . ]"
1 92 ASN 0.250 0.067 2 0 "[ . 1 . ]"
1 93 VAL 0.380 0.082 3 0 "[ . 1 . ]"
1 94 LEU 0.963 0.161 4 0 "[ . 1 . ]"
1 95 GLU 0.507 0.075 14 0 "[ . 1 . ]"
1 96 LYS 0.081 0.022 7 0 "[ . 1 . ]"
1 97 ILE 0.288 0.040 4 0 "[ . 1 . ]"
1 98 PHE 1.369 0.147 7 0 "[ . 1 . ]"
1 99 ASP 0.404 0.067 1 0 "[ . 1 . ]"
1 100 LEU 0.493 0.067 1 0 "[ . 1 . ]"
1 101 LYS 1.413 0.108 11 0 "[ . 1 . ]"
1 102 ILE 0.704 0.066 14 0 "[ . 1 . ]"
1 103 GLN 2.262 0.261 13 0 "[ . 1 . ]"
1 104 GLU 4.028 0.284 15 0 "[ . 1 . ]"
1 105 ARG 3.393 0.284 15 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 GLU H 2.900 . 2.900 2.304 2.018 2.738 . 0 0 "[ . 1 . ]" 1
2 1 1 LYS QB 1 2 GLU H 5.000 . 6.000 3.006 1.668 4.073 . 0 0 "[ . 1 . ]" 1
3 1 1 LYS QG 1 2 GLU H 3.700 . 4.700 3.234 1.901 4.241 . 0 0 "[ . 1 . ]" 1
4 1 2 GLU HA 1 3 ILE H 2.400 . 2.400 2.188 2.025 2.390 . 0 0 "[ . 1 . ]" 1
5 1 2 GLU HB2 1 3 ILE H 4.200 . 6.000 4.043 2.656 4.615 . 0 0 "[ . 1 . ]" 1
6 1 3 ILE HA 1 4 THR H 2.400 . 2.400 2.144 1.999 2.415 0.015 1 0 "[ . 1 . ]" 1
7 1 3 ILE HB 1 4 THR H 4.200 . 4.200 3.775 2.007 4.209 0.009 11 0 "[ . 1 . ]" 1
8 1 3 ILE MG 1 4 THR H 3.300 . 4.300 2.739 1.692 3.666 . 0 0 "[ . 1 . ]" 1
9 1 4 THR HA 1 5 ASN H 2.400 . 2.400 2.368 2.151 2.419 0.019 3 0 "[ . 1 . ]" 1
10 1 4 THR HB 1 5 ASN H 2.900 . 2.900 2.200 1.985 2.903 0.003 14 0 "[ . 1 . ]" 1
11 1 4 THR MG 1 5 ASN H 3.700 . 4.700 3.572 3.314 3.854 . 0 0 "[ . 1 . ]" 1
12 1 4 THR HB 1 6 ALA H 4.200 . 4.200 2.800 2.420 3.572 . 0 0 "[ . 1 . ]" 1
13 1 4 THR HB 1 5 ASN HD21 5.000 . 6.800 5.970 4.362 6.789 . 0 0 "[ . 1 . ]" 1
14 1 5 ASN HA 1 6 ALA H 2.600 . 2.600 2.613 2.582 2.643 0.043 3 0 "[ . 1 . ]" 1
15 1 5 ASN HB3 1 6 ALA H 5.000 . 5.000 4.507 4.270 4.694 . 0 0 "[ . 1 . ]" 1
16 1 5 ASN HB2 1 6 ALA H 5.000 . 5.000 4.399 4.308 4.584 . 0 0 "[ . 1 . ]" 1
17 1 5 ASN H 1 6 ALA H 2.600 . 2.600 2.606 2.548 2.626 0.026 3 0 "[ . 1 . ]" 1
18 1 5 ASN HB3 1 97 ILE H 5.000 . 6.800 5.309 3.929 6.382 . 0 0 "[ . 1 . ]" 1
19 1 6 ALA HA 1 7 LEU H 2.400 . 2.400 2.402 2.314 2.413 0.013 6 0 "[ . 1 . ]" 1
20 1 6 ALA MB 1 7 LEU H 3.300 . 4.300 2.192 2.113 2.387 . 0 0 "[ . 1 . ]" 1
21 1 6 ALA HA 1 98 PHE QE 4.200 . 6.700 5.730 3.624 6.321 . 0 0 "[ . 1 . ]" 1
22 1 6 ALA MB 1 98 PHE HA 5.000 . 6.000 3.484 2.683 4.302 . 0 0 "[ . 1 . ]" 1
23 1 7 LEU HA 1 8 GLU H 2.400 . 2.400 2.027 1.968 2.223 . 0 0 "[ . 1 . ]" 1
24 1 7 LEU HG 1 8 GLU H 5.000 . 5.000 4.672 3.673 5.081 0.081 5 0 "[ . 1 . ]" 1
25 1 7 LEU HB2 1 8 GLU H 3.300 . 5.100 4.303 3.942 4.515 . 0 0 "[ . 1 . ]" 1
26 1 7 LEU HB3 1 8 GLU H 3.300 . 5.100 4.068 3.551 4.620 . 0 0 "[ . 1 . ]" 1
27 1 7 LEU QD 1 8 GLU H 3.300 . 6.100 3.399 2.402 4.255 . 0 0 "[ . 1 . ]" 1
28 1 7 LEU HG 1 98 PHE QD 5.000 . 7.000 4.154 3.424 4.646 . 0 0 "[ . 1 . ]" 1
29 1 7 LEU HB2 1 98 PHE QD 5.000 . 7.000 3.396 2.303 4.622 . 0 0 "[ . 1 . ]" 1
30 1 7 LEU HB3 1 98 PHE QD 3.700 . 7.000 3.529 1.624 4.627 . 0 0 "[ . 1 . ]" 1
31 1 7 LEU QD 1 98 PHE QD 3.700 . 9.500 2.546 1.477 3.133 . 0 0 "[ . 1 . ]" 1
32 1 7 LEU H 1 98 PHE HA 2.900 . 2.900 2.314 1.958 2.650 . 0 0 "[ . 1 . ]" 1
33 1 7 LEU H 1 8 GLU H 4.200 . 4.200 4.089 3.317 4.246 0.046 6 0 "[ . 1 . ]" 1
34 1 7 LEU HB2 1 99 ASP H 3.700 . 5.500 4.557 3.569 5.544 0.044 8 0 "[ . 1 . ]" 1
35 1 7 LEU HB3 1 99 ASP H 3.700 . 5.500 4.729 3.757 5.525 0.025 12 0 "[ . 1 . ]" 1
36 1 7 LEU QD 1 98 PHE QE 3.300 . 7.200 2.149 1.535 2.821 . 0 0 "[ . 1 . ]" 1
37 1 7 LEU HG 1 98 PHE HA 4.200 . 4.200 4.002 2.635 4.222 0.022 7 0 "[ . 1 . ]" 1
38 1 7 LEU HB2 1 98 PHE HA 3.700 . 5.500 3.428 2.120 4.673 . 0 0 "[ . 1 . ]" 1
39 1 7 LEU HB3 1 98 PHE HA 3.700 . 5.500 3.779 2.290 5.111 . 0 0 "[ . 1 . ]" 1
40 1 8 GLU HA 1 99 ASP H 5.000 . 5.000 4.676 4.209 5.009 0.009 6 0 "[ . 1 . ]" 1
41 1 8 GLU HA 1 9 THR H 2.600 . 2.600 2.089 2.034 2.149 . 0 0 "[ . 1 . ]" 1
42 1 8 GLU HB2 1 9 THR H 3.700 . 5.500 4.351 3.827 4.630 . 0 0 "[ . 1 . ]" 1
43 1 8 GLU HB2 1 10 TRP HE1 3.300 . 4.200 3.561 1.938 4.206 0.006 17 0 "[ . 1 . ]" 1
44 1 8 GLU HB3 1 10 TRP HE1 3.700 . 4.200 2.807 1.996 4.054 . 0 0 "[ . 1 . ]" 1
45 1 8 GLU QG 1 10 TRP HE1 5.000 . 6.500 3.938 2.950 5.022 . 0 0 "[ . 1 . ]" 1
46 1 9 THR HA 1 10 TRP H 2.600 . 2.600 2.154 2.028 2.411 . 0 0 "[ . 1 . ]" 1
47 1 9 THR HB 1 10 TRP H 5.000 . 5.000 3.657 2.520 4.519 . 0 0 "[ . 1 . ]" 1
48 1 9 THR MG 1 10 TRP H 3.300 . 4.300 3.157 2.487 3.824 . 0 0 "[ . 1 . ]" 1
49 1 9 THR HB 1 101 LYS H 4.200 . 4.200 3.836 3.270 4.277 0.077 11 0 "[ . 1 . ]" 1
50 1 9 THR HB 1 101 LYS HB3 8.000 . 8.000 6.968 6.625 7.615 . 0 0 "[ . 1 . ]" 1
51 1 9 THR H 1 100 LEU HA 4.200 . 4.200 4.192 3.914 4.253 0.053 16 0 "[ . 1 . ]" 1
52 1 9 THR MG 1 100 LEU HA 5.000 . 6.000 2.990 1.420 4.383 . 0 0 "[ . 1 . ]" 1
53 1 9 THR MG 1 99 ASP H 3.700 . 4.700 3.745 2.125 3.971 . 0 0 "[ . 1 . ]" 1
54 1 10 TRP HA 1 11 GLY H 2.600 . 2.600 2.209 2.120 2.353 . 0 0 "[ . 1 . ]" 1
55 1 10 TRP HB2 1 11 GLY H 4.200 . 4.200 3.971 3.693 4.186 . 0 0 "[ . 1 . ]" 1
56 1 10 TRP HB3 1 11 GLY H 4.200 . 4.200 2.773 2.431 3.119 . 0 0 "[ . 1 . ]" 1
57 1 10 TRP HE3 1 11 GLY H 3.700 . 4.200 2.910 2.433 3.419 . 0 0 "[ . 1 . ]" 1
58 1 10 TRP HE3 1 102 ILE HA 4.200 . 4.200 3.508 2.912 3.983 . 0 0 "[ . 1 . ]" 1
59 1 10 TRP HE3 1 103 GLN HA 3.700 . 3.700 3.721 3.583 3.783 0.083 7 0 "[ . 1 . ]" 1
60 1 10 TRP HE3 1 101 LYS HB3 4.200 . 4.200 3.249 3.082 3.373 . 0 0 "[ . 1 . ]" 1
61 1 10 TRP HE3 1 101 LYS HB2 4.200 . 4.200 3.072 2.690 3.443 . 0 0 "[ . 1 . ]" 1
62 1 10 TRP HH2 1 101 LYS HB3 3.700 . 3.700 3.656 3.464 3.723 0.023 8 0 "[ . 1 . ]" 1
63 1 10 TRP HZ2 1 101 LYS HB3 6.000 . 6.000 4.823 4.512 5.073 . 0 0 "[ . 1 . ]" 1
64 1 10 TRP HZ2 1 101 LYS HB2 6.000 . 6.000 4.939 4.674 5.144 . 0 0 "[ . 1 . ]" 1
65 1 8 GLU QG 1 10 TRP HZ2 6.000 . 7.000 5.253 3.490 6.287 . 0 0 "[ . 1 . ]" 1
66 1 10 TRP HZ3 1 101 LYS HA 6.000 . 6.000 4.950 4.653 5.060 . 0 0 "[ . 1 . ]" 1
67 1 10 TRP HZ3 1 103 GLN HB2 4.200 . 4.200 3.146 2.687 4.226 0.026 11 0 "[ . 1 . ]" 1
68 1 10 TRP HZ3 1 103 GLN HB3 4.200 . 4.200 4.031 2.930 4.249 0.049 7 0 "[ . 1 . ]" 1
69 1 10 TRP HA 1 101 LYS H 3.700 . 3.700 2.936 2.466 3.722 0.022 14 0 "[ . 1 . ]" 1
70 1 10 TRP HA 1 101 LYS HB2 3.700 . 3.700 2.273 2.016 2.580 . 0 0 "[ . 1 . ]" 1
71 1 10 TRP HA 1 101 LYS HB3 3.700 . 3.700 3.723 3.599 3.757 0.057 2 0 "[ . 1 . ]" 1
72 1 11 GLY HA3 1 12 ALA H 3.300 . 3.300 2.522 2.103 3.296 . 0 0 "[ . 1 . ]" 1
73 1 11 GLY HA2 1 12 ALA H 2.900 . 3.300 2.514 2.073 3.075 . 0 0 "[ . 1 . ]" 1
74 1 12 ALA HA 1 13 LEU H 2.400 . 2.400 2.291 2.016 2.422 0.022 4 0 "[ . 1 . ]" 1
75 1 12 ALA MB 1 13 LEU H 2.900 . 3.900 2.641 2.262 3.176 . 0 0 "[ . 1 . ]" 1
76 1 12 ALA HA 1 103 GLN H 3.300 . 3.300 2.986 2.537 3.319 0.019 4 0 "[ . 1 . ]" 1
77 1 12 ALA HA 1 102 ILE MG 3.300 . 4.300 2.469 1.535 3.126 . 0 0 "[ . 1 . ]" 1
78 1 13 LEU H 1 13 LEU MD2 4.200 . 7.000 3.929 1.425 4.518 . 0 0 "[ . 1 . ]" 1
79 1 13 LEU HA 1 14 GLY H 2.400 . 2.400 2.011 1.945 2.312 . 0 0 "[ . 1 . ]" 1
80 1 13 LEU QB 1 14 GLY H 4.200 . 4.200 3.160 2.170 3.819 . 0 0 "[ . 1 . ]" 1
81 1 13 LEU HG 1 14 GLY H 4.200 . 4.200 3.945 3.355 4.392 0.192 17 0 "[ . 1 . ]" 1
82 1 13 LEU MD2 1 14 GLY H 4.200 . 6.000 4.401 3.363 5.004 . 0 0 "[ . 1 . ]" 1
83 1 13 LEU MD1 1 14 GLY H 5.000 . 6.000 3.971 1.788 4.967 . 0 0 "[ . 1 . ]" 1
84 1 13 LEU MD1 1 75 THR H 3.300 . 5.200 2.895 1.970 3.689 . 0 0 "[ . 1 . ]" 1
85 1 13 LEU MD2 1 75 THR H 4.200 . 5.200 2.552 1.930 4.186 . 0 0 "[ . 1 . ]" 1
86 1 13 LEU QB 1 74 LYS H 4.200 . 6.000 5.182 4.087 5.858 . 0 0 "[ . 1 . ]" 1
87 1 13 LEU QB 1 74 LYS HA 3.300 . 5.100 2.969 1.720 3.472 . 0 0 "[ . 1 . ]" 1
88 1 13 LEU MD2 1 74 LYS HA 3.300 . 4.300 3.493 3.006 3.884 . 0 0 "[ . 1 . ]" 1
89 1 13 LEU MD1 1 74 LYS HA 3.300 . 4.300 3.017 1.460 3.797 . 0 0 "[ . 1 . ]" 1
90 1 13 LEU HA 1 74 LYS HB3 3.300 . 3.300 3.248 2.562 3.674 0.374 15 0 "[ . 1 . ]" 1
91 1 13 LEU HA 1 73 LEU MD2 5.000 . 7.800 5.083 2.408 6.437 . 0 0 "[ . 1 . ]" 1
92 1 13 LEU HA 1 102 ILE MD 3.700 . 4.700 2.718 1.917 3.367 . 0 0 "[ . 1 . ]" 1
93 1 13 LEU QB 1 75 THR H 4.200 . 6.000 3.534 2.025 4.138 . 0 0 "[ . 1 . ]" 1
94 1 13 LEU HA 1 102 ILE MG 3.300 . 4.300 3.416 3.171 3.609 . 0 0 "[ . 1 . ]" 1
95 1 13 LEU H 1 102 ILE MD 4.200 . 5.200 3.583 1.997 4.150 . 0 0 "[ . 1 . ]" 1
96 1 14 GLY HA3 1 15 GLN H 3.700 . 4.200 3.574 3.505 3.652 . 0 0 "[ . 1 . ]" 1
97 1 14 GLY HA2 1 15 GLN H 4.200 . 4.200 2.806 2.612 2.945 . 0 0 "[ . 1 . ]" 1
98 1 14 GLY H 1 15 GLN H 3.300 . 3.300 2.373 1.993 2.606 . 0 0 "[ . 1 . ]" 1
99 1 14 GLY H 1 73 LEU H 3.700 . 3.700 3.590 2.904 3.893 0.193 7 0 "[ . 1 . ]" 1
100 1 15 GLN HA 1 16 ASP H 2.400 . 2.400 2.208 2.014 2.474 0.074 6 0 "[ . 1 . ]" 1
101 1 15 GLN QG 1 16 ASP H 2.900 . 3.900 2.466 1.415 3.436 . 0 0 "[ . 1 . ]" 1
102 1 15 GLN QB 1 16 ASP H 3.300 . 4.300 3.204 2.131 3.820 . 0 0 "[ . 1 . ]" 1
103 1 12 ALA H 1 15 GLN QG 5.000 . 6.000 3.341 2.184 5.011 . 0 0 "[ . 1 . ]" 1
104 1 12 ALA H 1 15 GLN QB 4.200 . 5.200 2.891 2.411 3.832 . 0 0 "[ . 1 . ]" 1
105 1 15 GLN H 1 73 LEU H 3.300 . 3.300 2.073 1.895 2.607 . 0 0 "[ . 1 . ]" 1
106 1 15 GLN H 1 74 LYS H 4.200 . 4.200 4.337 4.234 4.495 0.295 17 0 "[ . 1 . ]" 1
107 1 16 ASP HA 1 17 ILE H 2.600 . 2.600 2.087 2.008 2.214 . 0 0 "[ . 1 . ]" 1
108 1 16 ASP HB3 1 17 ILE H 5.000 . 5.000 4.299 4.065 4.478 . 0 0 "[ . 1 . ]" 1
109 1 16 ASP HB2 1 17 ILE H 3.700 . 3.700 3.684 3.340 3.767 0.067 2 0 "[ . 1 . ]" 1
110 1 16 ASP HA 1 72 HIS H 2.900 . 2.900 2.709 1.898 2.951 0.051 2 0 "[ . 1 . ]" 1
111 1 16 ASP HA 1 71 LYS HA 2.900 . 2.900 2.860 2.601 2.938 0.038 13 0 "[ . 1 . ]" 1
112 1 16 ASP HB2 1 73 LEU H 5.000 . 5.000 5.083 4.966 5.143 0.143 11 0 "[ . 1 . ]" 1
113 1 17 ILE HA 1 18 ASN H 2.400 . 2.400 2.292 2.127 2.422 0.022 3 0 "[ . 1 . ]" 1
114 1 17 ILE MG 1 70 ILE H 5.000 . 6.000 4.102 3.211 4.977 . 0 0 "[ . 1 . ]" 1
115 1 17 ILE MG 1 18 ASN H 4.200 . 5.200 3.733 2.989 4.355 . 0 0 "[ . 1 . ]" 1
116 1 17 ILE HG13 1 18 ASN H 3.300 . 5.100 2.533 1.881 4.090 . 0 0 "[ . 1 . ]" 1
117 1 17 ILE HG13 1 19 LEU MD1 5.000 . 7.800 5.690 3.607 7.278 . 0 0 "[ . 1 . ]" 1
118 1 17 ILE HG13 1 19 LEU MD2 4.200 . 7.800 4.519 2.691 7.827 0.027 15 0 "[ . 1 . ]" 1
119 1 18 ASN HA 1 19 LEU H 2.600 . 2.600 2.229 2.002 2.601 0.001 11 0 "[ . 1 . ]" 1
120 1 18 ASN HB2 1 19 LEU H 5.000 . 5.000 3.284 1.954 4.200 . 0 0 "[ . 1 . ]" 1
121 1 18 ASN HB3 1 19 LEU H 4.200 . 5.000 2.954 1.900 4.383 . 0 0 "[ . 1 . ]" 1
122 1 18 ASN HB2 1 67 THR MG 3.300 . 4.700 3.047 2.265 3.865 . 0 0 "[ . 1 . ]" 1
123 1 18 ASN HB3 1 67 THR MG 3.700 . 4.700 2.596 1.971 3.820 . 0 0 "[ . 1 . ]" 1
124 1 18 ASN HA 1 67 THR MG 3.700 . 4.700 3.641 3.267 3.959 . 0 0 "[ . 1 . ]" 1
125 1 18 ASN HA 1 70 ILE H 3.700 . 3.700 2.902 2.107 3.358 . 0 0 "[ . 1 . ]" 1
126 1 18 ASN HA 1 69 LYS HA 2.900 . 2.900 2.051 1.896 2.289 . 0 0 "[ . 1 . ]" 1
127 1 18 ASN HA 1 69 LYS QB 4.200 . 5.200 3.732 2.652 4.218 . 0 0 "[ . 1 . ]" 1
128 1 19 LEU HA 1 20 ASP H 2.400 . 2.400 2.094 1.963 2.343 . 0 0 "[ . 1 . ]" 1
129 1 19 LEU QB 1 20 ASP H 5.000 . 6.000 3.571 3.093 3.909 . 0 0 "[ . 1 . ]" 1
130 1 19 LEU MD2 1 20 ASP H 4.200 . 6.000 4.064 3.030 5.125 . 0 0 "[ . 1 . ]" 1
131 1 19 LEU MD1 1 20 ASP H 5.000 . 6.000 4.286 3.081 5.177 . 0 0 "[ . 1 . ]" 1
132 1 19 LEU QB 1 35 TRP HH2 3.300 . 4.300 1.799 1.483 2.473 . 0 0 "[ . 1 . ]" 1
133 1 19 LEU QB 1 35 TRP HZ2 3.700 . 4.700 2.783 2.180 3.090 . 0 0 "[ . 1 . ]" 1
134 1 19 LEU QB 1 81 TYR QE 5.000 . 8.000 5.588 5.196 6.194 . 0 0 "[ . 1 . ]" 1
135 1 19 LEU MD2 1 98 PHE QD 3.300 . 6.700 3.324 1.771 4.534 . 0 0 "[ . 1 . ]" 1
136 1 19 LEU MD1 1 98 PHE QD 3.700 . 6.700 2.695 0.982 4.870 . 0 0 "[ . 1 . ]" 1
137 1 19 LEU MD1 1 81 TYR QD 3.700 . 8.000 2.774 1.840 4.115 . 0 0 "[ . 1 . ]" 1
138 1 19 LEU MD2 1 81 TYR QD 5.000 . 8.000 3.097 1.666 4.102 . 0 0 "[ . 1 . ]" 1
139 1 19 LEU MD1 1 35 TRP HZ3 2.900 . 5.200 2.270 1.365 4.201 . 0 0 "[ . 1 . ]" 1
140 1 19 LEU H 1 20 ASP H 5.000 . 5.000 4.209 3.412 4.517 . 0 0 "[ . 1 . ]" 1
141 1 19 LEU MD1 1 68 LEU MD2 3.300 . 8.900 2.742 0.927 4.446 . 0 0 "[ . 1 . ]" 1
142 1 19 LEU MD1 1 68 LEU HB2 3.300 . 7.900 4.633 2.810 6.132 . 0 0 "[ . 1 . ]" 1
143 1 19 LEU QB 1 68 LEU MD1 2.900 . 7.000 4.111 3.094 4.491 . 0 0 "[ . 1 . ]" 1
144 1 19 LEU QB 1 68 LEU MD2 5.000 . 7.000 2.734 1.758 3.264 . 0 0 "[ . 1 . ]" 1
145 1 19 LEU MD2 1 70 ILE HG12 2.900 . 7.500 4.352 2.909 7.380 . 0 0 "[ . 1 . ]" 1
146 1 19 LEU MD1 1 98 PHE QE 4.200 . 7.700 3.931 2.792 5.380 . 0 0 "[ . 1 . ]" 1
147 1 19 LEU MD1 1 35 TRP HZ2 4.200 . 7.000 4.457 3.751 5.528 . 0 0 "[ . 1 . ]" 1
148 1 19 LEU MD2 1 98 PHE QE 3.700 . 7.700 4.421 3.515 5.559 . 0 0 "[ . 1 . ]" 1
149 1 19 LEU MD2 1 35 TRP HH2 4.200 . 5.200 3.633 2.535 4.392 . 0 0 "[ . 1 . ]" 1
150 1 19 LEU MD1 1 35 TRP HH2 2.900 . 5.200 2.826 1.517 4.238 . 0 0 "[ . 1 . ]" 1
151 1 19 LEU MD2 1 35 TRP HZ3 4.200 . 5.200 3.353 1.386 4.366 . 0 0 "[ . 1 . ]" 1
152 1 19 LEU QB 1 35 TRP HZ3 3.700 . 4.700 2.971 2.519 3.528 . 0 0 "[ . 1 . ]" 1
153 1 19 LEU MD1 1 81 TYR QE 5.000 . 9.000 3.620 2.836 5.083 . 0 0 "[ . 1 . ]" 1
154 1 19 LEU MD2 1 81 TYR QE 6.000 . 9.000 3.440 2.520 4.564 . 0 0 "[ . 1 . ]" 1
155 1 19 LEU HA 1 35 TRP HH2 4.200 . 4.200 3.679 3.267 4.035 . 0 0 "[ . 1 . ]" 1
156 1 19 LEU MD1 1 81 TYR HB2 3.700 . 6.500 2.809 1.923 4.403 . 0 0 "[ . 1 . ]" 1
157 1 19 LEU MD1 1 81 TYR HB3 3.700 . 6.500 3.318 2.303 4.998 . 0 0 "[ . 1 . ]" 1
158 1 19 LEU MD1 1 98 PHE HB2 3.700 . 6.500 3.293 2.354 5.094 . 0 0 "[ . 1 . ]" 1
159 1 19 LEU MD1 1 98 PHE HB3 3.700 . 6.500 2.944 1.756 4.638 . 0 0 "[ . 1 . ]" 1
160 1 19 LEU HA 1 98 PHE QD 4.200 . 6.200 3.700 2.873 4.887 . 0 0 "[ . 1 . ]" 1
161 1 19 LEU HA 1 98 PHE QE 3.700 . 6.200 3.677 2.263 5.161 . 0 0 "[ . 1 . ]" 1
162 1 20 ASP HA 1 21 ILE H 3.300 . 3.300 2.335 1.942 2.975 . 0 0 "[ . 1 . ]" 1
163 1 20 ASP HB3 1 21 ILE H 4.200 . 5.000 2.999 1.900 3.760 . 0 0 "[ . 1 . ]" 1
164 1 20 ASP HB2 1 21 ILE H 5.000 . 5.000 3.486 2.069 4.472 . 0 0 "[ . 1 . ]" 1
165 1 20 ASP H 1 21 ILE H 4.200 . 4.200 4.282 4.230 4.360 0.160 9 0 "[ . 1 . ]" 1
166 1 20 ASP HA 1 35 TRP HZ2 4.200 . 4.200 4.227 4.163 4.260 0.060 9 0 "[ . 1 . ]" 1
167 1 20 ASP HA 1 67 THR HA 3.700 . 3.700 3.049 2.611 3.719 0.019 3 0 "[ . 1 . ]" 1
168 1 20 ASP HA 1 67 THR MG 3.700 . 4.700 3.226 2.351 3.702 . 0 0 "[ . 1 . ]" 1
169 1 21 ILE MG 1 98 PHE QE 3.700 . 7.200 4.662 3.671 5.249 . 0 0 "[ . 1 . ]" 1
170 1 21 ILE HA 1 98 PHE QE 3.700 . 6.200 3.091 2.376 3.446 . 0 0 "[ . 1 . ]" 1
171 1 22 PRO HA 1 23 SER H 2.400 . 2.400 2.354 2.014 2.456 0.056 5 0 "[ . 1 . ]" 1
172 1 22 PRO HB2 1 23 SER H 3.700 . 3.700 2.860 2.143 4.048 0.348 1 0 "[ . 1 . ]" 1
173 1 22 PRO HB3 1 23 SER H 3.700 . 3.700 2.665 2.045 3.780 0.080 14 0 "[ . 1 . ]" 1
174 1 22 PRO QG 1 23 SER H 3.700 . 4.700 4.013 3.824 4.461 . 0 0 "[ . 1 . ]" 1
175 1 22 PRO HA 1 24 PHE H 4.200 . 4.200 4.007 3.191 4.172 . 0 0 "[ . 1 . ]" 1
176 1 22 PRO QD 1 98 PHE QE 4.200 . 7.700 3.869 3.050 5.217 . 0 0 "[ . 1 . ]" 1
177 1 22 PRO HB3 1 24 PHE H 5.000 . 6.800 3.715 2.767 4.270 . 0 0 "[ . 1 . ]" 1
178 1 21 ILE MG 1 22 PRO QD 3.700 . 5.700 2.980 1.027 3.881 . 0 0 "[ . 1 . ]" 1
179 1 21 ILE HA 1 22 PRO QD 5.000 . 6.000 2.323 1.882 3.573 . 0 0 "[ . 1 . ]" 1
180 1 23 SER HA 1 24 PHE H 2.900 . 2.900 2.927 2.907 2.967 0.067 1 0 "[ . 1 . ]" 1
181 1 23 SER QB 1 24 PHE H 4.200 . 5.200 3.846 3.756 4.072 . 0 0 "[ . 1 . ]" 1
182 1 23 SER H 1 24 PHE H 2.900 . 2.900 2.904 2.722 2.932 0.032 5 0 "[ . 1 . ]" 1
183 1 24 PHE HA 1 25 GLN H 2.400 . 2.400 2.248 2.088 2.422 0.022 1 0 "[ . 1 . ]" 1
184 1 24 PHE HB2 1 25 GLN H 3.700 . 5.000 3.886 2.150 4.586 . 0 0 "[ . 1 . ]" 1
185 1 24 PHE HB3 1 25 GLN H 5.000 . 5.000 3.613 2.168 4.371 . 0 0 "[ . 1 . ]" 1
186 1 24 PHE QD 1 25 GLN H 3.300 . 5.800 3.039 1.685 4.150 . 0 0 "[ . 1 . ]" 1
187 1 25 GLN HA 1 26 MET H 2.400 . 2.400 2.161 2.018 2.404 0.004 8 0 "[ . 1 . ]" 1
188 1 26 MET HA 1 27 SER H 2.400 . 2.400 2.306 2.115 2.401 0.001 17 0 "[ . 1 . ]" 1
189 1 26 MET HG2 1 27 SER H 4.200 . 5.000 4.618 3.142 5.001 0.001 11 0 "[ . 1 . ]" 1
190 1 26 MET HG3 1 27 SER H 5.000 . 5.000 4.171 3.520 5.013 0.013 15 0 "[ . 1 . ]" 1
191 1 26 MET HB2 1 27 SER H 4.200 . 4.200 2.668 2.172 3.664 . 0 0 "[ . 1 . ]" 1
192 1 26 MET HB3 1 27 SER H 4.200 . 4.200 3.475 2.380 4.010 . 0 0 "[ . 1 . ]" 1
193 1 27 SER HA 1 28 ASP H 3.300 . 3.300 3.397 3.318 3.490 0.190 8 0 "[ . 1 . ]" 1
194 1 27 SER HB2 1 28 ASP H 3.300 . 4.200 2.684 1.919 3.860 . 0 0 "[ . 1 . ]" 1
195 1 27 SER HB3 1 28 ASP H 4.200 . 4.200 2.484 1.901 3.589 . 0 0 "[ . 1 . ]" 1
196 1 27 SER H 1 28 ASP H 3.700 . 3.700 3.247 1.896 3.745 0.045 12 0 "[ . 1 . ]" 1
197 1 28 ASP H 1 29 ASP H 3.300 . 3.300 2.731 2.311 3.342 0.042 14 0 "[ . 1 . ]" 1
198 1 28 ASP HA 1 29 ASP H 5.000 . 5.000 3.372 2.859 3.585 . 0 0 "[ . 1 . ]" 1
199 1 29 ASP HA 1 30 ILE H 3.300 . 3.300 3.260 2.676 3.475 0.175 9 0 "[ . 1 . ]" 1
200 1 29 ASP H 1 30 ILE H 2.600 . 2.600 2.231 1.897 2.606 0.006 9 0 "[ . 1 . ]" 1
201 1 29 ASP HA 1 88 THR MG 3.300 . 4.300 3.364 3.064 3.682 . 0 0 "[ . 1 . ]" 1
202 1 30 ILE HA 1 31 ASP H 2.600 . 2.600 2.140 2.045 2.355 . 0 0 "[ . 1 . ]" 1
203 1 30 ILE MG 1 31 ASP H 3.700 . 4.700 2.532 1.850 3.381 . 0 0 "[ . 1 . ]" 1
204 1 30 ILE HA 1 88 THR H 3.300 . 3.300 3.204 2.788 3.316 0.016 10 0 "[ . 1 . ]" 1
205 1 30 ILE HA 1 87 ASP HA 2.600 . 2.600 1.984 1.897 2.228 . 0 0 "[ . 1 . ]" 1
206 1 31 ASP HA 1 32 ASP H 4.200 . 4.200 3.524 3.432 3.607 . 0 0 "[ . 1 . ]" 1
207 1 31 ASP HB3 1 32 ASP H 3.700 . 3.700 3.238 2.290 3.700 . 0 0 "[ . 1 . ]" 1
208 1 31 ASP HB2 1 32 ASP H 3.700 . 3.700 3.581 3.274 3.705 0.005 14 0 "[ . 1 . ]" 1
209 1 31 ASP H 1 32 ASP H 2.600 . 2.600 1.949 1.897 2.292 . 0 0 "[ . 1 . ]" 1
210 1 31 ASP HB2 1 88 THR H 5.000 . 5.000 3.183 2.821 3.644 . 0 0 "[ . 1 . ]" 1
211 1 31 ASP HB3 1 88 THR H 5.000 . 5.000 4.479 3.967 4.930 . 0 0 "[ . 1 . ]" 1
212 1 31 ASP HB3 1 88 THR HA 3.300 . 3.300 2.697 2.119 3.203 . 0 0 "[ . 1 . ]" 1
213 1 31 ASP HB2 1 88 THR HA 3.300 . 3.300 2.343 1.928 2.984 . 0 0 "[ . 1 . ]" 1
214 1 31 ASP HB2 1 87 ASP HA 4.200 . 6.000 3.767 3.437 4.035 . 0 0 "[ . 1 . ]" 1
215 1 31 ASP HA 1 88 THR MG 5.000 . 6.000 4.140 3.438 4.440 . 0 0 "[ . 1 . ]" 1
216 1 32 ASP HA 1 33 ILE H 2.600 . 2.600 2.142 2.034 2.394 . 0 0 "[ . 1 . ]" 1
217 1 32 ASP HB2 1 33 ILE H 5.000 . 5.000 3.788 3.148 4.264 . 0 0 "[ . 1 . ]" 1
218 1 32 ASP HB3 1 33 ILE H 5.000 . 5.000 3.224 2.212 4.203 . 0 0 "[ . 1 . ]" 1
219 1 32 ASP HA 1 47 PHE QD 3.700 . 5.700 4.466 3.275 5.041 . 0 0 "[ . 1 . ]" 1
220 1 32 ASP HB2 1 86 TYR QE 4.200 . 8.000 5.612 4.764 6.605 . 0 0 "[ . 1 . ]" 1
221 1 32 ASP HB2 1 86 TYR QD 3.300 . 7.100 3.743 2.671 5.292 . 0 0 "[ . 1 . ]" 1
222 1 32 ASP HB3 1 86 TYR H 5.000 . 5.000 3.526 2.321 4.509 . 0 0 "[ . 1 . ]" 1
223 1 32 ASP HB2 1 86 TYR H 4.200 . 5.000 3.588 2.836 4.732 . 0 0 "[ . 1 . ]" 1
224 1 32 ASP H 1 86 TYR H 3.700 . 3.700 3.737 3.716 3.749 0.049 14 0 "[ . 1 . ]" 1
225 1 32 ASP HA 1 47 PHE HB2 3.700 . 3.700 3.623 3.348 3.736 0.036 4 0 "[ . 1 . ]" 1
226 1 32 ASP HA 1 47 PHE HB3 3.300 . 3.300 2.693 2.041 3.172 . 0 0 "[ . 1 . ]" 1
227 1 32 ASP HA 1 48 ARG HA 4.200 . 4.200 3.612 3.060 4.030 . 0 0 "[ . 1 . ]" 1
228 1 30 ILE MG 1 32 ASP HA 6.000 . 7.000 4.759 4.328 5.549 . 0 0 "[ . 1 . ]" 1
229 1 33 ILE HA 1 34 LYS H 2.600 . 2.600 2.188 2.047 2.312 . 0 0 "[ . 1 . ]" 1
230 1 33 ILE MG 1 34 LYS H 3.700 . 4.700 2.546 2.000 3.335 . 0 0 "[ . 1 . ]" 1
231 1 33 ILE HB 1 47 PHE H 5.000 . 5.000 3.365 2.601 3.869 . 0 0 "[ . 1 . ]" 1
232 1 33 ILE HA 1 85 ILE HA 3.700 . 3.700 2.074 1.899 2.345 . 0 0 "[ . 1 . ]" 1
233 1 33 ILE H 1 47 PHE H 4.200 . 4.200 2.627 2.136 2.859 . 0 0 "[ . 1 . ]" 1
234 1 33 ILE H 1 47 PHE QD 3.700 . 5.700 4.392 4.106 4.733 . 0 0 "[ . 1 . ]" 1
235 1 33 ILE MG 1 35 TRP HE1 3.700 . 5.200 3.309 2.969 3.630 . 0 0 "[ . 1 . ]" 1
236 1 33 ILE MG 1 35 TRP HD1 3.300 . 4.300 2.756 2.365 3.050 . 0 0 "[ . 1 . ]" 1
237 1 33 ILE HA 1 86 TYR QD 4.200 . 6.200 4.374 3.246 5.716 . 0 0 "[ . 1 . ]" 1
238 1 33 ILE MG 1 34 LYS HA 5.000 . 6.000 3.879 3.187 4.332 . 0 0 "[ . 1 . ]" 1
239 1 34 LYS HA 1 35 TRP H 2.600 . 2.600 2.069 2.011 2.145 . 0 0 "[ . 1 . ]" 1
240 1 34 LYS QG 1 35 TRP H 4.200 . 5.200 2.693 1.849 4.317 . 0 0 "[ . 1 . ]" 1
241 1 34 LYS HB2 1 35 TRP H 4.200 . 4.200 4.125 3.798 4.219 0.019 17 0 "[ . 1 . ]" 1
242 1 34 LYS HB3 1 35 TRP H 4.200 . 4.200 3.514 2.784 4.017 . 0 0 "[ . 1 . ]" 1
243 1 34 LYS HA 1 47 PHE H 5.000 . 5.000 3.407 3.062 3.742 . 0 0 "[ . 1 . ]" 1
244 1 34 LYS HB2 1 86 TYR QD 5.000 . 7.000 4.266 3.470 5.191 . 0 0 "[ . 1 . ]" 1
245 1 34 LYS HB3 1 86 TYR QD 5.000 . 7.000 5.106 3.833 6.197 . 0 0 "[ . 1 . ]" 1
246 1 34 LYS HB2 1 86 TYR QE 3.300 . 5.300 3.233 1.842 4.774 . 0 0 "[ . 1 . ]" 1
247 1 34 LYS HB3 1 86 TYR QE 3.300 . 5.300 3.637 1.869 5.012 . 0 0 "[ . 1 . ]" 1
248 1 34 LYS H 1 84 SER H 3.700 . 3.700 3.665 3.524 3.716 0.016 7 0 "[ . 1 . ]" 1
249 1 34 LYS HA 1 46 GLN HA 2.900 . 2.900 2.182 1.957 2.345 . 0 0 "[ . 1 . ]" 1
250 1 34 LYS HA 1 46 GLN HB3 4.200 . 5.000 4.043 2.534 4.816 . 0 0 "[ . 1 . ]" 1
251 1 34 LYS HA 1 46 GLN HB2 5.000 . 5.000 3.423 2.446 4.805 . 0 0 "[ . 1 . ]" 1
252 1 34 LYS HA 1 46 GLN QG 4.200 . 5.200 3.381 2.294 4.656 . 0 0 "[ . 1 . ]" 1
253 1 34 LYS HA 1 35 TRP HD1 4.200 . 4.200 4.209 4.122 4.278 0.078 4 0 "[ . 1 . ]" 1
254 1 35 TRP HA 1 36 GLU H 2.600 . 2.600 2.094 2.026 2.230 . 0 0 "[ . 1 . ]" 1
255 1 35 TRP HB3 1 36 GLU H 3.700 . 5.000 3.441 2.959 3.723 . 0 0 "[ . 1 . ]" 1
256 1 35 TRP HB2 1 36 GLU H 5.000 . 5.000 4.412 4.147 4.553 . 0 0 "[ . 1 . ]" 1
257 1 35 TRP HA 1 84 SER H 3.700 . 3.700 3.179 2.898 3.361 . 0 0 "[ . 1 . ]" 1
258 1 35 TRP HB3 1 45 ALA H 3.700 . 5.000 3.856 3.567 4.260 . 0 0 "[ . 1 . ]" 1
259 1 35 TRP HB2 1 45 ALA H 5.000 . 5.000 3.253 2.940 3.630 . 0 0 "[ . 1 . ]" 1
260 1 35 TRP H 1 45 ALA H 4.200 . 4.200 3.306 2.903 3.586 . 0 0 "[ . 1 . ]" 1
261 1 35 TRP HE1 1 62 LEU MD1 2.900 . 5.700 3.966 2.524 6.024 0.324 11 0 "[ . 1 . ]" 1
262 1 35 TRP HE3 1 36 GLU H 3.700 . 3.700 3.452 3.059 3.719 0.019 4 0 "[ . 1 . ]" 1
263 1 35 TRP HE3 1 82 LYS H 3.700 . 3.700 3.077 2.801 3.338 . 0 0 "[ . 1 . ]" 1
264 1 35 TRP HA 1 35 TRP HE3 3.300 . 3.300 3.255 3.126 3.340 0.040 13 0 "[ . 1 . ]" 1
265 1 35 TRP HB3 1 35 TRP HE3 2.600 . 4.400 2.600 2.510 2.654 . 0 0 "[ . 1 . ]" 1
266 1 35 TRP HE3 1 81 TYR HA 4.400 . 4.400 4.349 4.282 4.397 . 0 0 "[ . 1 . ]" 1
267 1 35 TRP HE3 1 83 VAL HA 4.200 . 4.200 3.847 3.764 3.924 . 0 0 "[ . 1 . ]" 1
268 1 35 TRP HE3 1 98 PHE HB2 5.000 . 6.800 4.537 4.110 5.023 . 0 0 "[ . 1 . ]" 1
269 1 35 TRP HE3 1 44 ILE MD 3.700 . 4.700 3.544 3.006 3.851 . 0 0 "[ . 1 . ]" 1
270 1 35 TRP HE3 1 83 VAL MG1 6.000 . 7.000 4.826 4.376 5.003 . 0 0 "[ . 1 . ]" 1
271 1 19 LEU MD1 1 35 TRP HE3 3.700 . 6.500 3.661 2.473 5.474 . 0 0 "[ . 1 . ]" 1
272 1 35 TRP HE3 1 68 LEU HB2 6.000 . 7.800 4.482 4.138 4.709 . 0 0 "[ . 1 . ]" 1
273 1 35 TRP H 1 36 GLU H 5.000 . 5.000 4.251 4.033 4.495 . 0 0 "[ . 1 . ]" 1
274 1 35 TRP HA 1 83 VAL HA 3.300 . 3.300 2.471 2.352 2.637 . 0 0 "[ . 1 . ]" 1
275 1 35 TRP HD1 1 62 LEU HA 4.200 . 4.200 4.263 4.219 4.308 0.108 12 0 "[ . 1 . ]" 1
276 1 35 TRP HD1 1 62 LEU MD1 2.600 . 5.400 2.623 1.569 4.403 . 0 0 "[ . 1 . ]" 1
277 1 35 TRP HD1 1 83 VAL HA 6.000 . 6.000 4.756 4.526 4.937 . 0 0 "[ . 1 . ]" 1
278 1 33 ILE HA 1 35 TRP HD1 8.000 . 8.000 5.560 5.166 5.812 . 0 0 "[ . 1 . ]" 1
279 1 35 TRP HD1 1 68 LEU HA 5.000 . 5.000 4.904 4.597 5.037 0.037 11 0 "[ . 1 . ]" 1
280 1 35 TRP HD1 1 66 GLY HA2 5.000 . 6.800 4.998 4.519 5.743 . 0 0 "[ . 1 . ]" 1
281 1 33 ILE HB 1 35 TRP HD1 6.000 . 6.000 4.698 4.017 5.161 . 0 0 "[ . 1 . ]" 1
282 1 35 TRP HD1 1 45 ALA MB 3.300 . 4.300 3.442 3.373 3.543 . 0 0 "[ . 1 . ]" 1
283 1 35 TRP HD1 1 85 ILE MG 5.300 . 6.300 5.106 5.060 5.194 . 0 0 "[ . 1 . ]" 1
284 1 35 TRP HD1 1 83 VAL MG1 8.000 . 9.000 5.851 5.586 6.040 . 0 0 "[ . 1 . ]" 1
285 1 35 TRP HZ3 1 98 PHE QE 3.700 . 5.700 4.188 3.364 4.798 . 0 0 "[ . 1 . ]" 1
286 1 35 TRP HZ3 1 81 TYR QD 3.700 . 5.700 3.925 3.371 4.241 . 0 0 "[ . 1 . ]" 1
287 1 35 TRP HZ3 1 82 LYS HA 5.000 . 5.000 4.160 3.544 4.449 . 0 0 "[ . 1 . ]" 1
288 1 35 TRP HZ3 1 81 TYR HA 5.000 . 5.000 4.834 4.654 4.998 . 0 0 "[ . 1 . ]" 1
289 1 35 TRP HZ3 1 98 PHE HA 8.000 . 8.000 5.448 5.059 5.810 . 0 0 "[ . 1 . ]" 1
290 1 35 TRP HZ3 1 83 VAL HA 5.000 . 5.000 5.034 4.950 5.083 0.083 17 0 "[ . 1 . ]" 1
291 1 19 LEU HA 1 35 TRP HZ3 5.000 . 5.000 5.060 4.954 5.135 0.135 17 0 "[ . 1 . ]" 1
292 1 19 LEU HG 1 35 TRP HZ3 5.000 . 5.000 3.484 1.904 4.732 . 0 0 "[ . 1 . ]" 1
293 1 35 TRP HZ3 1 83 VAL MG1 4.200 . 5.200 4.143 3.598 4.293 . 0 0 "[ . 1 . ]" 1
294 1 35 TRP HZ3 1 83 VAL MG2 5.000 . 6.000 4.953 4.833 5.024 . 0 0 "[ . 1 . ]" 1
295 1 35 TRP HH2 1 98 PHE QE 3.300 . 5.300 2.693 1.846 2.978 . 0 0 "[ . 1 . ]" 1
296 1 35 TRP HH2 1 98 PHE QD 3.700 . 5.700 2.796 1.849 3.374 . 0 0 "[ . 1 . ]" 1
297 1 35 TRP HH2 1 67 THR HA 5.000 . 5.000 4.996 4.750 5.089 0.089 1 0 "[ . 1 . ]" 1
298 1 21 ILE HA 1 35 TRP HH2 5.000 . 5.000 4.775 4.281 5.046 0.046 2 0 "[ . 1 . ]" 1
299 1 21 ILE HB 1 35 TRP HH2 5.000 . 5.000 4.562 3.284 5.027 0.027 6 0 "[ . 1 . ]" 1
300 1 19 LEU HG 1 35 TRP HH2 5.000 . 5.000 3.843 2.252 4.950 . 0 0 "[ . 1 . ]" 1
301 1 35 TRP HZ3 1 98 PHE QD 2.900 . 4.900 2.996 1.500 3.567 . 0 0 "[ . 1 . ]" 1
302 1 7 LEU QD 1 35 TRP HZ2 3.300 . 6.100 5.105 5.045 5.175 . 0 0 "[ . 1 . ]" 1
303 1 35 TRP HZ2 1 67 THR MG 5.000 . 6.000 4.719 4.560 4.967 . 0 0 "[ . 1 . ]" 1
304 1 21 ILE HB 1 35 TRP HZ2 3.300 . 3.300 3.138 2.445 3.333 0.033 3 0 "[ . 1 . ]" 1
305 1 35 TRP HZ2 1 66 GLY HA2 6.000 . 7.800 5.636 5.131 6.468 . 0 0 "[ . 1 . ]" 1
306 1 19 LEU HA 1 35 TRP HZ2 5.000 . 5.000 4.911 4.405 5.021 0.021 3 0 "[ . 1 . ]" 1
307 1 21 ILE HA 1 35 TRP HZ2 5.000 . 5.000 4.415 3.701 4.812 . 0 0 "[ . 1 . ]" 1
308 1 35 TRP HB3 1 81 TYR QE 4.200 . 8.000 5.726 5.040 6.387 . 0 0 "[ . 1 . ]" 1
309 1 35 TRP HB3 1 60 TYR QE 4.200 . 8.000 6.180 5.273 7.068 . 0 0 "[ . 1 . ]" 1
310 1 35 TRP HA 1 83 VAL HB 4.200 . 4.200 4.150 3.864 4.217 0.017 17 0 "[ . 1 . ]" 1
311 1 35 TRP HA 1 83 VAL MG2 5.200 . 6.200 3.875 3.537 4.108 . 0 0 "[ . 1 . ]" 1
312 1 35 TRP HB2 1 68 LEU MD1 3.700 . 6.800 2.135 1.657 2.982 . 0 0 "[ . 1 . ]" 1
313 1 35 TRP HB2 1 68 LEU MD2 4.000 . 6.800 3.673 2.250 4.989 . 0 0 "[ . 1 . ]" 1
314 1 35 TRP HB3 1 68 LEU MD2 4.000 . 6.800 2.812 1.414 4.358 . 0 0 "[ . 1 . ]" 1
315 1 36 GLU HA 1 37 LYS H 2.600 . 2.600 2.350 2.193 2.496 . 0 0 "[ . 1 . ]" 1
316 1 36 GLU H 1 82 LYS H 3.300 . 3.300 2.841 2.580 3.208 . 0 0 "[ . 1 . ]" 1
317 1 36 GLU HA 1 43 LYS HA 3.300 . 3.300 2.473 1.963 3.126 . 0 0 "[ . 1 . ]" 1
318 1 36 GLU HA 1 42 LYS H 5.000 . 5.000 4.426 3.817 4.812 . 0 0 "[ . 1 . ]" 1
319 1 36 GLU QB 1 37 LYS H 3.300 . 4.300 2.841 2.372 3.372 . 0 0 "[ . 1 . ]" 1
320 1 36 GLU QB 1 42 LYS H 5.000 . 6.000 3.836 2.923 5.183 . 0 0 "[ . 1 . ]" 1
321 1 36 GLU QB 1 82 LYS H 4.200 . 5.200 3.920 3.411 4.378 . 0 0 "[ . 1 . ]" 1
322 1 36 GLU HA 1 45 ALA H 4.200 . 4.200 3.936 3.598 4.193 . 0 0 "[ . 1 . ]" 1
323 1 37 LYS HA 1 38 THR H 3.300 . 3.300 2.137 2.018 2.400 . 0 0 "[ . 1 . ]" 1
324 1 37 LYS H 1 42 LYS H 4.200 . 4.200 2.399 1.958 2.655 . 0 0 "[ . 1 . ]" 1
325 1 37 LYS HA 1 81 TYR HA 2.900 . 2.900 2.703 2.312 2.931 0.031 13 0 "[ . 1 . ]" 1
326 1 37 LYS QB 1 39 SER H 5.000 . 6.000 3.995 3.350 4.786 . 0 0 "[ . 1 . ]" 1
327 1 37 LYS HA 1 81 TYR QE 4.200 . 6.200 4.549 3.388 5.263 . 0 0 "[ . 1 . ]" 1
328 1 37 LYS HA 1 81 TYR QD 3.700 . 5.700 3.375 1.966 4.305 . 0 0 "[ . 1 . ]" 1
329 1 38 THR HA 1 39 SER H 5.000 . 5.000 3.432 2.001 3.578 . 0 0 "[ . 1 . ]" 1
330 1 38 THR MG 1 39 SER H 4.200 . 5.200 3.894 3.409 4.381 . 0 0 "[ . 1 . ]" 1
331 1 38 THR HA 1 41 LYS H 4.200 . 4.200 3.707 2.923 4.301 0.101 4 0 "[ . 1 . ]" 1
332 1 38 THR H 1 39 SER H 4.200 . 4.200 3.065 2.408 4.235 0.035 10 0 "[ . 1 . ]" 1
333 1 39 SER HA 1 40 ASP H 4.200 . 4.200 3.545 3.468 3.576 . 0 0 "[ . 1 . ]" 1
334 1 39 SER HB2 1 40 ASP H 5.000 . 5.000 3.234 1.899 4.018 . 0 0 "[ . 1 . ]" 1
335 1 39 SER HB3 1 40 ASP H 4.200 . 5.000 2.736 1.901 4.215 . 0 0 "[ . 1 . ]" 1
336 1 39 SER HA 1 41 LYS H 5.000 . 5.000 4.167 3.761 4.747 . 0 0 "[ . 1 . ]" 1
337 1 39 SER H 1 40 ASP H 3.700 . 3.700 2.910 2.072 3.296 . 0 0 "[ . 1 . ]" 1
338 1 40 ASP HA 1 41 LYS H 5.000 . 5.000 3.184 2.838 3.513 . 0 0 "[ . 1 . ]" 1
339 1 40 ASP QB 1 41 LYS H 4.200 . 5.200 3.620 2.830 4.106 . 0 0 "[ . 1 . ]" 1
340 1 40 ASP H 1 41 LYS H 2.900 . 2.900 2.538 2.053 2.777 . 0 0 "[ . 1 . ]" 1
341 1 41 LYS HA 1 42 LYS H 2.900 . 2.900 2.419 2.296 2.582 . 0 0 "[ . 1 . ]" 1
342 1 41 LYS QB 1 42 LYS H 3.700 . 4.700 4.007 3.937 4.065 . 0 0 "[ . 1 . ]" 1
343 1 41 LYS QG 1 42 LYS H 3.700 . 4.700 4.157 3.961 4.329 . 0 0 "[ . 1 . ]" 1
344 1 41 LYS H 1 41 LYS HA 2.600 . 2.600 2.382 2.377 2.395 . 0 0 "[ . 1 . ]" 1
345 1 41 LYS HA 1 41 LYS QD 4.200 . 5.200 4.090 3.381 4.613 . 0 0 "[ . 1 . ]" 1
346 1 41 LYS H 1 42 LYS H 2.900 . 2.900 2.928 2.843 2.951 0.051 9 0 "[ . 1 . ]" 1
347 1 42 LYS HA 1 43 LYS H 2.400 . 2.400 2.035 1.957 2.158 . 0 0 "[ . 1 . ]" 1
348 1 42 LYS QB 1 43 LYS H 4.200 . 5.200 3.715 2.718 4.037 . 0 0 "[ . 1 . ]" 1
349 1 42 LYS H 1 43 LYS H 4.200 . 4.200 4.113 3.700 4.376 0.176 13 0 "[ . 1 . ]" 1
350 1 37 LYS H 1 42 LYS QB 5.000 . 6.000 3.702 2.916 5.144 . 0 0 "[ . 1 . ]" 1
351 1 37 LYS H 1 42 LYS HA 4.200 . 4.200 4.299 4.210 4.398 0.198 9 0 "[ . 1 . ]" 1
352 1 43 LYS HA 1 44 ILE H 5.000 . 5.000 2.079 1.992 2.231 . 0 0 "[ . 1 . ]" 1
353 1 43 LYS QB 1 44 ILE H 4.200 . 5.200 3.238 2.500 3.788 . 0 0 "[ . 1 . ]" 1
354 1 43 LYS HA 1 45 ALA H 4.200 . 4.200 3.659 3.101 4.078 . 0 0 "[ . 1 . ]" 1
355 1 44 ILE H 1 45 ALA H 2.900 . 2.900 2.099 1.898 2.631 . 0 0 "[ . 1 . ]" 1
356 1 45 ALA HA 1 46 GLN H 3.300 . 3.300 2.180 2.120 2.258 . 0 0 "[ . 1 . ]" 1
357 1 45 ALA MB 1 46 GLN H 4.200 . 5.200 3.019 2.789 3.228 . 0 0 "[ . 1 . ]" 1
358 1 45 ALA HA 1 55 LYS HA 4.000 . 4.000 3.778 3.117 4.029 0.029 9 0 "[ . 1 . ]" 1
359 1 46 GLN HA 1 47 PHE H 2.600 . 2.600 2.108 2.032 2.189 . 0 0 "[ . 1 . ]" 1
360 1 46 GLN HB3 1 47 PHE H 4.200 . 5.000 3.742 2.608 4.280 . 0 0 "[ . 1 . ]" 1
361 1 46 GLN HB2 1 47 PHE H 5.000 . 5.000 3.675 2.764 4.090 . 0 0 "[ . 1 . ]" 1
362 1 46 GLN QG 1 47 PHE H 4.200 . 5.200 2.914 1.949 4.408 . 0 0 "[ . 1 . ]" 1
363 1 35 TRP H 1 46 GLN HA 3.700 . 3.700 3.383 3.127 3.625 . 0 0 "[ . 1 . ]" 1
364 1 46 GLN H 1 54 PHE QE 4.200 . 6.200 4.826 2.568 5.390 . 0 0 "[ . 1 . ]" 1
365 1 35 TRP HD1 1 46 GLN HA 5.000 . 5.000 4.952 4.630 5.082 0.082 18 0 "[ . 1 . ]" 1
366 1 45 ALA HA 1 46 GLN HA 5.000 . 5.000 4.478 4.440 4.509 . 0 0 "[ . 1 . ]" 1
367 1 35 TRP HB2 1 46 GLN HA 6.000 . 7.800 4.921 4.533 5.217 . 0 0 "[ . 1 . ]" 1
368 1 46 GLN HA 1 54 PHE HB2 6.000 . 7.800 6.192 5.323 8.432 0.632 15 1 "[ . 1 + ]" 1
369 1 34 LYS HB2 1 46 GLN HA 4.200 . 6.000 4.469 3.915 5.258 . 0 0 "[ . 1 . ]" 1
370 1 34 LYS HD2 1 46 GLN HA 5.000 . 6.800 5.519 3.628 6.638 . 0 0 "[ . 1 . ]" 1
371 1 45 ALA MB 1 46 GLN HA 4.200 . 5.200 4.046 3.835 4.156 . 0 0 "[ . 1 . ]" 1
372 1 33 ILE MG 1 46 GLN HA 5.000 . 6.000 4.409 3.496 4.973 . 0 0 "[ . 1 . ]" 1
373 1 33 ILE H 1 47 PHE HB2 5.000 . 5.000 2.535 2.059 3.302 . 0 0 "[ . 1 . ]" 1
374 1 33 ILE H 1 47 PHE HB3 5.000 . 5.000 2.666 2.094 3.180 . 0 0 "[ . 1 . ]" 1
375 1 47 PHE HA 1 53 THR HA 4.000 . 4.000 3.376 2.740 3.982 . 0 0 "[ . 1 . ]" 1
376 1 47 PHE QD 1 48 ARG HA 5.000 . 7.000 5.024 3.165 6.005 . 0 0 "[ . 1 . ]" 1
377 1 47 PHE QD 1 53 THR MG 4.200 . 7.200 2.544 1.442 3.754 . 0 0 "[ . 1 . ]" 1
378 1 46 GLN HA 1 47 PHE QD 8.000 . 10.000 4.815 3.974 5.872 . 0 0 "[ . 1 . ]" 1
379 1 47 PHE QD 1 53 THR HA 5.000 . 7.000 4.379 3.512 5.360 . 0 0 "[ . 1 . ]" 1
380 1 47 PHE QD 1 50 GLU HA 5.000 . 7.000 5.241 4.482 6.576 . 0 0 "[ . 1 . ]" 1
381 1 32 ASP HB2 1 47 PHE QD 6.000 . 10.000 6.748 5.947 7.453 . 0 0 "[ . 1 . ]" 1
382 1 32 ASP HB3 1 47 PHE QD 8.000 . 10.000 6.527 4.747 7.683 . 0 0 "[ . 1 . ]" 1
383 1 46 GLN QG 1 47 PHE QD 8.000 . 11.000 5.387 4.267 6.916 . 0 0 "[ . 1 . ]" 1
384 1 47 PHE QD 1 49 LYS HB2 6.000 . 9.800 7.224 5.785 8.620 . 0 0 "[ . 1 . ]" 1
385 1 26 MET ME 1 47 PHE QD 6.000 . 9.000 5.618 3.254 6.593 . 0 0 "[ . 1 . ]" 1
386 1 33 ILE HB 1 47 PHE QD 3.700 . 5.700 3.493 2.484 4.256 . 0 0 "[ . 1 . ]" 1
387 1 33 ILE MD 1 47 PHE QD 3.700 . 6.700 3.168 1.613 4.934 . 0 0 "[ . 1 . ]" 1
388 1 33 ILE MG 1 47 PHE QD 5.000 . 8.000 4.509 3.498 5.179 . 0 0 "[ . 1 . ]" 1
389 1 49 LYS HA 1 50 GLU H 2.600 . 2.600 2.146 2.076 2.357 . 0 0 "[ . 1 . ]" 1
390 1 49 LYS H 1 50 GLU H 4.200 . 4.200 4.262 4.067 4.471 0.271 1 0 "[ . 1 . ]" 1
391 1 50 GLU HA 1 51 LYS H 2.900 . 2.900 2.885 2.570 3.125 0.225 18 0 "[ . 1 . ]" 1
392 1 50 GLU H 1 51 LYS H 3.300 . 3.300 3.103 2.740 3.321 0.021 13 0 "[ . 1 . ]" 1
393 1 51 LYS HA 1 52 GLU H 3.200 . 3.200 3.115 2.006 3.303 0.103 13 0 "[ . 1 . ]" 1
394 1 51 LYS QG 1 52 GLU H 4.200 . 5.200 4.539 3.822 4.777 . 0 0 "[ . 1 . ]" 1
395 1 51 LYS HB2 1 52 GLU H 3.700 . 3.700 3.711 2.145 3.850 0.150 18 0 "[ . 1 . ]" 1
396 1 51 LYS HB3 1 52 GLU H 3.300 . 3.300 3.293 1.898 3.399 0.099 12 0 "[ . 1 . ]" 1
397 1 51 LYS H 1 52 GLU H 4.200 . 4.200 2.113 1.896 4.149 . 0 0 "[ . 1 . ]" 1
398 1 52 GLU HA 1 53 THR H 2.600 . 2.600 2.127 2.028 2.327 . 0 0 "[ . 1 . ]" 1
399 1 52 GLU QB 1 53 THR H 3.700 . 4.700 3.700 2.927 4.091 . 0 0 "[ . 1 . ]" 1
400 1 52 GLU HG3 1 53 THR H 5.000 . 6.800 3.559 1.974 5.433 . 0 0 "[ . 1 . ]" 1
401 1 53 THR HA 1 54 PHE H 2.900 . 2.900 2.393 2.027 2.623 . 0 0 "[ . 1 . ]" 1
402 1 53 THR MG 1 54 PHE H 3.700 . 4.700 3.432 1.736 3.936 . 0 0 "[ . 1 . ]" 1
403 1 54 PHE HA 1 55 LYS H 3.700 . 3.700 2.110 2.020 2.226 . 0 0 "[ . 1 . ]" 1
404 1 46 GLN HB3 1 54 PHE QD 5.000 . 7.000 3.415 1.574 4.949 . 0 0 "[ . 1 . ]" 1
405 1 46 GLN HB2 1 54 PHE QD 5.000 . 7.000 3.920 2.133 5.625 . 0 0 "[ . 1 . ]" 1
406 1 43 LYS QD 1 54 PHE QD 3.700 . 6.700 3.868 1.603 5.302 . 0 0 "[ . 1 . ]" 1
407 1 45 ALA HA 1 54 PHE QD 3.300 . 5.300 3.226 1.667 4.523 . 0 0 "[ . 1 . ]" 1
408 1 54 PHE QD 1 55 LYS HA 4.200 . 6.200 3.514 2.591 4.520 . 0 0 "[ . 1 . ]" 1
409 1 53 THR HB 1 54 PHE QD 5.000 . 7.000 5.991 4.945 6.402 . 0 0 "[ . 1 . ]" 1
410 1 52 GLU HG2 1 54 PHE QD 4.200 . 8.000 6.633 5.379 8.004 0.004 7 0 "[ . 1 . ]" 1
411 1 43 LYS QB 1 54 PHE QD 5.000 . 8.000 3.731 2.855 5.561 . 0 0 "[ . 1 . ]" 1
412 1 46 GLN HA 1 54 PHE QE 8.000 . 10.000 6.463 3.547 7.638 . 0 0 "[ . 1 . ]" 1
413 1 45 ALA HA 1 54 PHE QE 2.900 . 4.900 3.886 2.918 4.584 . 0 0 "[ . 1 . ]" 1
414 1 54 PHE QE 1 55 LYS HA 5.000 . 7.000 4.518 3.883 5.516 . 0 0 "[ . 1 . ]" 1
415 1 46 GLN QG 1 54 PHE QE 8.000 . 11.000 5.182 2.843 7.478 . 0 0 "[ . 1 . ]" 1
416 1 46 GLN HB2 1 54 PHE QE 4.200 . 8.000 5.159 1.526 7.216 . 0 0 "[ . 1 . ]" 1
417 1 46 GLN HB3 1 54 PHE QE 6.000 . 8.000 4.889 2.272 6.197 . 0 0 "[ . 1 . ]" 1
418 1 43 LYS QB 1 54 PHE QE 5.000 . 8.000 2.990 1.502 4.442 . 0 0 "[ . 1 . ]" 1
419 1 43 LYS QD 1 54 PHE QE 5.000 . 8.000 3.510 1.755 4.569 . 0 0 "[ . 1 . ]" 1
420 1 43 LYS HA 1 54 PHE QE 6.000 . 8.000 4.850 3.900 5.824 . 0 0 "[ . 1 . ]" 1
421 1 54 PHE QE 1 55 LYS H 4.200 . 6.200 5.115 4.694 5.892 . 0 0 "[ . 1 . ]" 1
422 1 54 PHE H 1 55 LYS HB2 5.000 . 6.800 5.856 4.208 6.600 . 0 0 "[ . 1 . ]" 1
423 1 57 LYS HA 1 58 ASP H 2.400 . 2.400 2.263 2.076 2.419 0.019 14 0 "[ . 1 . ]" 1
424 1 58 ASP HA 1 59 THR H 3.300 . 3.300 3.381 3.322 3.430 0.130 15 0 "[ . 1 . ]" 1
425 1 58 ASP HB3 1 59 THR H 4.200 . 5.000 4.141 3.913 4.394 . 0 0 "[ . 1 . ]" 1
426 1 58 ASP HB2 1 59 THR H 5.000 . 5.000 3.135 2.735 3.591 . 0 0 "[ . 1 . ]" 1
427 1 58 ASP H 1 59 THR H 2.900 . 2.900 2.494 2.186 2.668 . 0 0 "[ . 1 . ]" 1
428 1 58 ASP HB3 1 71 LYS H 5.000 . 5.000 5.038 4.992 5.140 0.140 16 0 "[ . 1 . ]" 1
429 1 58 ASP HB2 1 71 LYS H 5.000 . 5.000 5.033 4.942 5.143 0.143 16 0 "[ . 1 . ]" 1
430 1 58 ASP HA 1 60 TYR H 3.700 . 3.700 3.446 3.212 3.698 . 0 0 "[ . 1 . ]" 1
431 1 58 ASP HB2 1 60 TYR H 5.000 . 6.800 5.021 4.830 5.293 . 0 0 "[ . 1 . ]" 1
432 1 58 ASP HB3 1 61 LYS H 4.200 . 6.000 5.544 4.867 6.052 0.052 15 0 "[ . 1 . ]" 1
433 1 59 THR HA 1 60 TYR H 4.200 . 4.200 3.494 3.473 3.509 . 0 0 "[ . 1 . ]" 1
434 1 59 THR MG 1 60 TYR H 4.200 . 5.200 2.965 2.244 4.117 . 0 0 "[ . 1 . ]" 1
435 1 59 THR MG 1 60 TYR HA 4.400 . 5.400 4.266 4.200 4.332 . 0 0 "[ . 1 . ]" 1
436 1 59 THR HA 1 71 LYS H 4.200 . 4.200 1.890 1.878 1.897 . 0 0 "[ . 1 . ]" 1
437 1 59 THR HB 1 71 LYS H 4.400 . 4.400 4.382 4.301 4.523 0.123 7 0 "[ . 1 . ]" 1
438 1 59 THR H 1 60 TYR H 3.300 . 3.300 2.683 2.580 2.757 . 0 0 "[ . 1 . ]" 1
439 1 59 THR MG 1 71 LYS H 5.000 . 6.000 4.235 2.817 4.747 . 0 0 "[ . 1 . ]" 1
440 1 60 TYR HA 1 61 LYS H 2.600 . 2.600 2.209 2.097 2.281 . 0 0 "[ . 1 . ]" 1
441 1 60 TYR HB2 1 61 LYS H 3.300 . 5.100 4.569 4.476 4.659 . 0 0 "[ . 1 . ]" 1
442 1 60 TYR HA 1 71 LYS H 4.200 . 4.200 4.066 3.590 4.287 0.087 18 0 "[ . 1 . ]" 1
443 1 60 TYR QD 1 61 LYS H 3.300 . 5.800 4.319 3.807 4.874 . 0 0 "[ . 1 . ]" 1
444 1 60 TYR QD 1 71 LYS H 4.200 . 6.700 5.054 4.326 5.515 . 0 0 "[ . 1 . ]" 1
445 1 60 TYR QD 1 61 LYS HA 5.000 . 7.000 5.964 5.744 6.097 . 0 0 "[ . 1 . ]" 1
446 1 59 THR HA 1 60 TYR QD 6.000 . 8.000 4.922 4.240 5.286 . 0 0 "[ . 1 . ]" 1
447 1 59 THR HB 1 60 TYR QD 5.000 . 7.000 4.577 3.044 5.899 . 0 0 "[ . 1 . ]" 1
448 1 59 THR MG 1 60 TYR QD 4.200 . 7.200 2.587 1.408 3.690 . 0 0 "[ . 1 . ]" 1
449 1 59 THR MG 1 60 TYR QE 4.200 . 7.200 3.581 2.556 4.489 . 0 0 "[ . 1 . ]" 1
450 1 44 ILE MG 1 60 TYR QE 3.300 . 6.300 3.149 2.321 3.736 . 0 0 "[ . 1 . ]" 1
451 1 44 ILE MD 1 60 TYR QE 3.300 . 6.300 2.799 1.625 3.542 . 0 0 "[ . 1 . ]" 1
452 1 45 ALA MB 1 60 TYR QE 5.000 . 8.000 5.826 5.474 6.065 . 0 0 "[ . 1 . ]" 1
453 1 60 TYR HA 1 70 ILE HA 3.700 . 3.700 2.753 2.107 2.992 . 0 0 "[ . 1 . ]" 1
454 1 60 TYR HB2 1 68 LEU MD1 3.300 . 7.900 4.299 3.887 5.260 . 0 0 "[ . 1 . ]" 1
455 1 60 TYR HB3 1 68 LEU MD1 3.300 . 7.900 2.785 2.335 3.782 . 0 0 "[ . 1 . ]" 1
456 1 61 LYS HA 1 62 LEU H 2.600 . 2.600 2.188 2.039 2.348 . 0 0 "[ . 1 . ]" 1
457 1 61 LYS QB 1 62 LEU H 3.300 . 4.300 3.154 2.482 3.704 . 0 0 "[ . 1 . ]" 1
458 1 61 LYS H 1 69 LYS H 3.300 . 3.300 2.985 2.529 3.294 . 0 0 "[ . 1 . ]" 1
459 1 61 LYS QB 1 69 LYS H 4.200 . 5.200 3.419 2.369 4.557 . 0 0 "[ . 1 . ]" 1
460 1 61 LYS HA 1 68 LEU MD1 3.700 . 6.500 4.021 3.073 5.593 . 0 0 "[ . 1 . ]" 1
461 1 62 LEU HA 1 63 PHE H 2.600 . 2.600 2.244 2.093 2.506 . 0 0 "[ . 1 . ]" 1
462 1 62 LEU HA 1 69 LYS H 4.200 . 4.200 3.841 3.401 4.202 0.002 18 0 "[ . 1 . ]" 1
463 1 62 LEU HA 1 68 LEU HA 3.700 . 3.700 2.672 2.131 3.077 . 0 0 "[ . 1 . ]" 1
464 1 62 LEU HA 1 68 LEU MD1 3.700 . 6.500 3.159 2.370 4.723 . 0 0 "[ . 1 . ]" 1
465 1 62 LEU HB2 1 68 LEU MD1 5.000 . 9.600 4.280 3.100 5.721 . 0 0 "[ . 1 . ]" 1
466 1 35 TRP HD1 1 62 LEU HB2 5.000 . 6.800 5.031 3.992 5.880 . 0 0 "[ . 1 . ]" 1
467 1 62 LEU MD1 1 68 LEU HA 4.200 . 5.200 4.185 2.672 6.150 0.950 7 5 "[- . +* 1* . *]" 1
468 1 62 LEU MD1 1 68 LEU HB2 3.700 . 8.300 4.003 2.352 6.249 . 0 0 "[ . 1 . ]" 1
469 1 62 LEU MD1 1 63 PHE H 2.900 . 5.700 3.137 1.353 4.928 . 0 0 "[ . 1 . ]" 1
470 1 63 PHE HA 1 64 LYS H 3.300 . 3.300 2.418 2.238 2.513 . 0 0 "[ . 1 . ]" 1
471 1 63 PHE HB3 1 64 LYS H 3.700 . 3.700 2.158 1.907 2.625 . 0 0 "[ . 1 . ]" 1
472 1 63 PHE HB2 1 64 LYS H 5.000 . 5.000 3.420 3.181 3.819 . 0 0 "[ . 1 . ]" 1
473 1 63 PHE HB2 1 67 THR H 3.700 . 3.700 2.243 1.953 2.650 . 0 0 "[ . 1 . ]" 1
474 1 63 PHE HB3 1 67 THR H 4.200 . 4.200 3.639 3.425 3.875 . 0 0 "[ . 1 . ]" 1
475 1 63 PHE HB2 1 66 GLY H 5.000 . 5.000 3.376 2.473 4.024 . 0 0 "[ . 1 . ]" 1
476 1 63 PHE HB3 1 66 GLY H 5.000 . 5.000 4.039 3.061 4.477 . 0 0 "[ . 1 . ]" 1
477 1 63 PHE HB2 1 67 THR MG 4.200 . 5.200 3.371 2.979 3.704 . 0 0 "[ . 1 . ]" 1
478 1 63 PHE HB3 1 67 THR MG 5.000 . 6.000 4.302 3.783 4.673 . 0 0 "[ . 1 . ]" 1
479 1 63 PHE QE 1 67 THR MG 3.700 . 6.700 2.477 1.737 3.230 . 0 0 "[ . 1 . ]" 1
480 1 63 PHE HZ 1 69 LYS HE2 3.400 . 5.200 3.457 2.154 5.101 . 0 0 "[ . 1 . ]" 1
481 1 63 PHE HZ 1 69 LYS HE3 3.400 . 5.200 3.450 2.197 5.036 . 0 0 "[ . 1 . ]" 1
482 1 64 LYS HA 1 66 GLY H 4.200 . 4.200 3.638 3.310 3.815 . 0 0 "[ . 1 . ]" 1
483 1 63 PHE QD 1 64 LYS H 4.200 . 6.700 3.743 3.337 4.203 . 0 0 "[ . 1 . ]" 1
484 1 64 LYS H 1 65 ASN H 3.300 . 3.300 2.570 2.431 2.768 . 0 0 "[ . 1 . ]" 1
485 1 64 LYS HB3 1 65 ASN H 4.200 . 6.000 3.535 2.280 4.397 . 0 0 "[ . 1 . ]" 1
486 1 65 ASN HA 1 66 GLY H 5.000 . 5.000 3.220 2.976 3.463 . 0 0 "[ . 1 . ]" 1
487 1 65 ASN H 1 66 GLY H 2.900 . 2.900 2.725 2.570 2.842 . 0 0 "[ . 1 . ]" 1
488 1 66 GLY HA2 1 67 THR H 4.200 . 4.200 3.199 3.061 3.382 . 0 0 "[ . 1 . ]" 1
489 1 66 GLY HA3 1 67 THR H 3.700 . 4.200 3.443 3.324 3.498 . 0 0 "[ . 1 . ]" 1
490 1 66 GLY H 1 67 THR H 3.300 . 3.300 2.423 2.099 2.753 . 0 0 "[ . 1 . ]" 1
491 1 33 ILE MG 1 66 GLY HA3 4.200 . 7.000 3.513 2.583 4.322 . 0 0 "[ . 1 . ]" 1
492 1 63 PHE QD 1 67 THR HB 2.900 . 5.400 2.572 1.504 3.638 . 0 0 "[ . 1 . ]" 1
493 1 63 PHE QD 1 67 THR MG 2.900 . 5.900 2.130 1.433 3.095 . 0 0 "[ . 1 . ]" 1
494 1 19 LEU H 1 67 THR MG 3.700 . 4.700 2.648 2.003 3.610 . 0 0 "[ . 1 . ]" 1
495 1 67 THR MG 1 69 LYS H 5.000 . 6.000 3.712 3.052 4.330 . 0 0 "[ . 1 . ]" 1
496 1 67 THR MG 1 68 LEU H 3.300 . 4.300 2.288 1.829 2.840 . 0 0 "[ . 1 . ]" 1
497 1 18 ASN HD22 1 67 THR MG 4.200 . 7.000 4.334 3.075 5.094 . 0 0 "[ . 1 . ]" 1
498 1 67 THR MG 1 68 LEU HA 4.200 . 5.200 3.345 3.102 3.571 . 0 0 "[ . 1 . ]" 1
499 1 35 TRP HZ2 1 67 THR HA 3.300 . 3.300 2.990 2.761 3.160 . 0 0 "[ . 1 . ]" 1
500 1 63 PHE QD 1 67 THR HA 5.000 . 7.500 4.538 3.651 5.534 . 0 0 "[ . 1 . ]" 1
501 1 68 LEU HA 1 69 LYS H 2.600 . 2.600 2.093 1.999 2.264 . 0 0 "[ . 1 . ]" 1
502 1 68 LEU HG 1 69 LYS H 4.200 . 4.200 2.790 1.913 3.894 . 0 0 "[ . 1 . ]" 1
503 1 68 LEU MD1 1 69 LYS H 3.300 . 6.100 3.549 2.563 4.763 . 0 0 "[ . 1 . ]" 1
504 1 68 LEU HB2 1 69 LYS H 4.200 . 6.000 4.169 3.915 4.460 . 0 0 "[ . 1 . ]" 1
505 1 61 LYS H 1 68 LEU MD1 3.300 . 6.100 3.628 2.476 4.841 . 0 0 "[ . 1 . ]" 1
506 1 61 LYS H 1 68 LEU HG 3.700 . 3.700 3.349 2.808 3.714 0.014 2 0 "[ . 1 . ]" 1
507 1 35 TRP HE1 1 68 LEU HB2 4.200 . 5.500 3.039 2.761 3.305 . 0 0 "[ . 1 . ]" 1
508 1 35 TRP HE1 1 68 LEU MD1 4.200 . 7.500 4.284 4.000 4.621 . 0 0 "[ . 1 . ]" 1
509 1 35 TRP HD1 1 68 LEU HB2 4.200 . 6.000 3.237 2.839 3.793 . 0 0 "[ . 1 . ]" 1
510 1 35 TRP HD1 1 68 LEU MD1 3.700 . 6.500 3.144 2.883 3.561 . 0 0 "[ . 1 . ]" 1
511 1 60 TYR QD 1 68 LEU MD2 3.700 . 6.700 2.148 1.614 3.365 . 0 0 "[ . 1 . ]" 1
512 1 60 TYR QE 1 68 LEU MD2 4.200 . 7.200 3.309 2.808 3.971 . 0 0 "[ . 1 . ]" 1
513 1 68 LEU MD2 1 81 TYR QE 4.200 . 9.000 3.384 2.619 4.432 . 0 0 "[ . 1 . ]" 1
514 1 35 TRP HZ3 1 68 LEU MD2 4.200 . 7.000 3.835 3.150 4.661 . 0 0 "[ . 1 . ]" 1
515 1 35 TRP HH2 1 68 LEU MD2 5.000 . 7.800 4.645 4.074 5.290 . 0 0 "[ . 1 . ]" 1
516 1 35 TRP HE3 1 68 LEU MD1 5.000 . 6.000 3.896 2.475 4.970 . 0 0 "[ . 1 . ]" 1
517 1 35 TRP HE3 1 68 LEU MD2 3.300 . 6.000 3.087 2.329 4.435 . 0 0 "[ . 1 . ]" 1
518 1 60 TYR QE 1 68 LEU MD1 4.200 . 7.200 4.795 3.839 5.331 . 0 0 "[ . 1 . ]" 1
519 1 35 TRP HZ2 1 68 LEU HB2 4.200 . 4.200 3.903 3.511 4.202 0.002 2 0 "[ . 1 . ]" 1
520 1 35 TRP HZ2 1 68 LEU HB3 4.200 . 4.200 3.720 3.329 4.162 . 0 0 "[ . 1 . ]" 1
521 1 35 TRP HH2 1 68 LEU HB2 6.000 . 7.800 4.994 4.396 5.361 . 0 0 "[ . 1 . ]" 1
522 1 35 TRP HD1 1 68 LEU HG 6.000 . 6.000 5.548 4.754 6.006 0.006 18 0 "[ . 1 . ]" 1
523 1 60 TYR QD 1 68 LEU MD1 3.700 . 6.700 3.103 2.594 3.747 . 0 0 "[ . 1 . ]" 1
524 1 68 LEU MD2 1 70 ILE MD 3.700 . 7.500 2.683 2.115 4.110 . 0 0 "[ . 1 . ]" 1
525 1 35 TRP HE1 1 68 LEU HB3 5.000 . 5.500 4.117 3.589 4.728 . 0 0 "[ . 1 . ]" 1
526 1 69 LYS HA 1 70 ILE H 2.600 . 2.600 2.119 2.023 2.280 . 0 0 "[ . 1 . ]" 1
527 1 19 LEU H 1 69 LYS HA 4.200 . 4.200 3.171 2.139 3.781 . 0 0 "[ . 1 . ]" 1
528 1 67 THR MG 1 69 LYS HA 5.000 . 6.000 3.781 3.395 4.153 . 0 0 "[ . 1 . ]" 1
529 1 17 ILE HG13 1 69 LYS HA 6.000 . 7.800 6.258 4.403 7.529 . 0 0 "[ . 1 . ]" 1
530 1 69 LYS QB 1 70 ILE H 3.700 . 4.700 3.556 2.787 3.990 . 0 0 "[ . 1 . ]" 1
531 1 61 LYS H 1 69 LYS QB 4.200 . 5.200 3.552 2.754 4.437 . 0 0 "[ . 1 . ]" 1
532 1 70 ILE HA 1 71 LYS H 2.600 . 2.600 2.014 1.929 2.170 . 0 0 "[ . 1 . ]" 1
533 1 60 TYR QD 1 70 ILE HA 2.900 . 4.900 3.878 2.788 4.607 . 0 0 "[ . 1 . ]" 1
534 1 70 ILE HB 1 71 LYS H 5.000 . 5.000 4.117 3.227 4.556 . 0 0 "[ . 1 . ]" 1
535 1 70 ILE HG12 1 71 LYS H 5.000 . 6.800 4.743 3.169 5.205 . 0 0 "[ . 1 . ]" 1
536 1 70 ILE MG 1 71 LYS H 3.700 . 4.700 3.334 2.922 4.376 . 0 0 "[ . 1 . ]" 1
537 1 70 ILE MD 1 100 LEU H 5.000 . 6.000 5.057 4.970 5.158 . 0 0 "[ . 1 . ]" 1
538 1 60 TYR QE 1 70 ILE MD 3.300 . 6.300 2.770 1.678 4.224 . 0 0 "[ . 1 . ]" 1
539 1 60 TYR QD 1 70 ILE MD 5.000 . 8.000 3.716 3.007 4.475 . 0 0 "[ . 1 . ]" 1
540 1 70 ILE MD 1 81 TYR QE 3.300 . 6.300 2.472 1.530 3.200 . 0 0 "[ . 1 . ]" 1
541 1 70 ILE MD 1 81 TYR QD 5.000 . 8.000 3.519 2.973 4.413 . 0 0 "[ . 1 . ]" 1
542 1 60 TYR QE 1 70 ILE HG13 3.700 . 5.700 3.815 2.709 4.997 . 0 0 "[ . 1 . ]" 1
543 1 60 TYR QE 1 70 ILE MG 2.900 . 5.900 2.612 1.676 4.247 . 0 0 "[ . 1 . ]" 1
544 1 60 TYR QD 1 70 ILE HG13 3.700 . 5.700 3.568 2.766 4.883 . 0 0 "[ . 1 . ]" 1
545 1 60 TYR QD 1 70 ILE MG 3.700 . 6.700 2.926 1.326 4.940 . 0 0 "[ . 1 . ]" 1
546 1 60 TYR QE 1 70 ILE HG12 3.300 . 5.700 2.930 1.890 5.301 . 0 0 "[ . 1 . ]" 1
547 1 60 TYR QD 1 70 ILE HG12 2.900 . 5.700 2.943 1.690 5.668 . 0 0 "[ . 1 . ]" 1
548 1 70 ILE H 1 71 LYS H 4.200 . 4.200 4.254 4.183 4.395 0.195 4 0 "[ . 1 . ]" 1
549 1 60 TYR QE 1 70 ILE HB 3.700 . 5.700 4.251 2.731 5.486 . 0 0 "[ . 1 . ]" 1
550 1 60 TYR QE 1 70 ILE HA 3.700 . 5.700 4.805 4.164 5.315 . 0 0 "[ . 1 . ]" 1
551 1 68 LEU MD2 1 70 ILE HG12 5.000 . 9.600 3.232 2.027 5.586 . 0 0 "[ . 1 . ]" 1
552 1 71 LYS HA 1 72 HIS H 2.400 . 2.400 2.079 1.951 2.203 . 0 0 "[ . 1 . ]" 1
553 1 71 LYS HB3 1 72 HIS H 3.300 . 5.100 3.863 3.141 4.221 . 0 0 "[ . 1 . ]" 1
554 1 59 THR MG 1 71 LYS HB3 5.000 . 7.800 4.709 3.406 5.464 . 0 0 "[ . 1 . ]" 1
555 1 71 LYS QG 1 72 HIS H 5.000 . 5.000 2.485 1.823 3.874 . 0 0 "[ . 1 . ]" 1
556 1 72 HIS HA 1 73 LEU H 2.600 . 2.600 2.097 1.975 2.296 . 0 0 "[ . 1 . ]" 1
557 1 72 HIS HB2 1 73 LEU H 5.000 . 5.000 4.573 4.431 4.735 . 0 0 "[ . 1 . ]" 1
558 1 72 HIS HB3 1 73 LEU H 5.000 . 5.000 4.379 4.030 4.679 . 0 0 "[ . 1 . ]" 1
559 1 72 HIS H 1 72 HIS HA 2.400 . 2.400 2.370 2.362 2.386 . 0 0 "[ . 1 . ]" 1
560 1 73 LEU HA 1 74 LYS H 2.400 . 2.400 2.263 1.928 2.433 0.033 15 0 "[ . 1 . ]" 1
561 1 73 LEU MD1 1 74 LYS H 4.200 . 5.200 3.988 2.786 4.493 . 0 0 "[ . 1 . ]" 1
562 1 73 LEU MD2 1 74 LYS H 4.200 . 5.200 3.681 1.831 4.479 . 0 0 "[ . 1 . ]" 1
563 1 14 GLY H 1 73 LEU QB 4.200 . 5.200 4.253 3.026 4.889 . 0 0 "[ . 1 . ]" 1
564 1 14 GLY H 1 73 LEU MD2 5.000 . 7.800 4.869 1.724 6.020 . 0 0 "[ . 1 . ]" 1
565 1 15 GLN H 1 73 LEU MD2 3.300 . 6.100 4.469 1.709 5.530 . 0 0 "[ . 1 . ]" 1
566 1 15 GLN H 1 73 LEU HG 5.000 . 5.000 4.861 3.278 5.166 0.166 4 0 "[ . 1 . ]" 1
567 1 73 LEU H 1 74 LYS H 5.000 . 5.000 3.842 2.944 4.461 . 0 0 "[ . 1 . ]" 1
568 1 74 LYS HA 1 75 THR H 2.900 . 2.900 2.722 2.503 2.988 0.088 17 0 "[ . 1 . ]" 1
569 1 74 LYS HB2 1 75 THR H 3.300 . 3.300 1.917 1.865 2.140 . 0 0 "[ . 1 . ]" 1
570 1 74 LYS HB3 1 75 THR H 2.900 . 2.900 2.694 1.900 3.196 0.296 17 0 "[ . 1 . ]" 1
571 1 74 LYS HB3 1 76 ASP H 4.200 . 4.200 3.988 3.164 4.283 0.083 6 0 "[ . 1 . ]" 1
572 1 74 LYS HB2 1 76 ASP H 3.700 . 3.700 2.430 1.884 3.777 0.077 17 0 "[ . 1 . ]" 1
573 1 74 LYS QG 1 76 ASP H 3.700 . 3.700 3.163 1.770 3.731 0.031 5 0 "[ . 1 . ]" 1
574 1 74 LYS H 1 75 THR H 5.000 . 5.000 4.399 3.939 4.538 . 0 0 "[ . 1 . ]" 1
575 1 75 THR HA 1 76 ASP H 3.400 . 3.400 3.410 3.392 3.443 0.043 5 0 "[ . 1 . ]" 1
576 1 75 THR HB 1 76 ASP H 2.900 . 2.900 2.901 2.723 2.927 0.027 4 0 "[ . 1 . ]" 1
577 1 13 LEU MD2 1 75 THR HB 5.000 . 7.800 3.590 2.784 5.609 . 0 0 "[ . 1 . ]" 1
578 1 75 THR HA 1 78 GLN H 3.700 . 3.700 3.523 2.995 3.767 0.067 7 0 "[ . 1 . ]" 1
579 1 75 THR H 1 76 ASP H 3.300 . 3.300 2.651 2.278 2.832 . 0 0 "[ . 1 . ]" 1
580 1 13 LEU MD2 1 75 THR HA 5.000 . 6.000 4.448 4.098 5.177 . 0 0 "[ . 1 . ]" 1
581 1 13 LEU MD1 1 75 THR HA 5.000 . 6.000 4.232 2.498 5.035 . 0 0 "[ . 1 . ]" 1
582 1 75 THR HA 1 102 ILE MG 3.700 . 4.700 3.610 2.790 3.868 . 0 0 "[ . 1 . ]" 1
583 1 75 THR HA 1 102 ILE MD 2.900 . 3.900 3.118 2.702 3.246 . 0 0 "[ . 1 . ]" 1
584 1 75 THR H 1 102 ILE MD 5.000 . 6.000 3.546 2.616 4.584 . 0 0 "[ . 1 . ]" 1
585 1 75 THR HA 1 78 GLN HE22 5.000 . 5.000 4.462 3.878 4.958 . 0 0 "[ . 1 . ]" 1
586 1 75 THR HA 1 78 GLN HE21 5.000 . 5.000 3.568 2.539 5.056 0.056 7 0 "[ . 1 . ]" 1
587 1 75 THR MG 1 76 ASP HA 4.200 . 5.200 3.743 3.445 4.034 . 0 0 "[ . 1 . ]" 1
588 1 76 ASP HA 1 78 GLN H 3.700 . 3.700 3.679 3.490 3.736 0.036 4 0 "[ . 1 . ]" 1
589 1 76 ASP QB 1 77 ASP H 4.200 . 5.200 2.804 2.472 3.509 . 0 0 "[ . 1 . ]" 1
590 1 76 ASP H 1 77 ASP H 3.300 . 3.300 2.507 2.298 2.777 . 0 0 "[ . 1 . ]" 1
591 1 77 ASP H 1 78 GLN H 2.600 . 2.600 2.593 2.475 2.625 0.025 4 0 "[ . 1 . ]" 1
592 1 74 LYS H 1 77 ASP HB3 5.000 . 5.000 3.596 1.983 5.054 0.054 4 0 "[ . 1 . ]" 1
593 1 74 LYS H 1 77 ASP HB2 3.700 . 3.700 2.306 1.890 3.769 0.069 17 0 "[ . 1 . ]" 1
594 1 73 LEU H 1 77 ASP HB3 5.000 . 5.000 4.876 4.377 5.140 0.140 15 0 "[ . 1 . ]" 1
595 1 73 LEU H 1 77 ASP HB2 4.200 . 4.200 4.302 3.857 4.535 0.335 15 0 "[ . 1 . ]" 1
596 1 77 ASP HB3 1 78 GLN H 5.000 . 5.000 3.969 3.022 4.334 . 0 0 "[ . 1 . ]" 1
597 1 78 GLN HA 1 79 ASP H 2.400 . 2.400 2.052 2.000 2.146 . 0 0 "[ . 1 . ]" 1
598 1 78 GLN QG 1 101 LYS HB3 3.700 . 4.700 4.004 3.536 4.286 . 0 0 "[ . 1 . ]" 1
599 1 79 ASP HA 1 80 ILE H 2.900 . 2.900 2.386 2.257 2.596 . 0 0 "[ . 1 . ]" 1
600 1 79 ASP QB 1 80 ILE H 4.200 . 4.200 2.449 2.046 3.132 . 0 0 "[ . 1 . ]" 1
601 1 79 ASP QB 1 81 TYR QE 5.000 . 7.000 2.809 2.055 3.349 . 0 0 "[ . 1 . ]" 1
602 1 79 ASP QB 1 81 TYR QD 3.300 . 6.200 3.838 3.483 4.131 . 0 0 "[ . 1 . ]" 1
603 1 79 ASP H 1 81 TYR QE 2.900 . 5.400 2.630 2.038 3.867 . 0 0 "[ . 1 . ]" 1
604 1 79 ASP H 1 81 TYR QD 4.200 . 6.700 4.534 4.121 5.130 . 0 0 "[ . 1 . ]" 1
605 1 79 ASP QB 1 100 LEU H 3.300 . 5.100 4.807 4.715 4.893 . 0 0 "[ . 1 . ]" 1
606 1 60 TYR QE 1 79 ASP QB 5.000 . 8.800 4.329 4.052 4.816 . 0 0 "[ . 1 . ]" 1
607 1 80 ILE HA 1 81 TYR H 2.600 . 2.600 2.173 2.021 2.265 . 0 0 "[ . 1 . ]" 1
608 1 80 ILE MG 1 81 TYR H 3.300 . 4.300 2.252 2.072 2.567 . 0 0 "[ . 1 . ]" 1
609 1 80 ILE HA 1 81 TYR QD 4.200 . 6.200 3.042 2.137 4.329 . 0 0 "[ . 1 . ]" 1
610 1 80 ILE HA 1 100 LEU H 3.700 . 3.700 2.545 1.981 3.074 . 0 0 "[ . 1 . ]" 1
611 1 80 ILE HA 1 99 ASP HA 3.300 . 3.300 1.992 1.898 2.237 . 0 0 "[ . 1 . ]" 1
612 1 80 ILE MG 1 99 ASP H 5.000 . 6.000 4.494 4.146 4.713 . 0 0 "[ . 1 . ]" 1
613 1 80 ILE MG 1 81 TYR HA 5.000 . 6.000 3.947 3.677 4.213 . 0 0 "[ . 1 . ]" 1
614 1 81 TYR H 1 98 PHE H 4.200 . 4.200 3.582 3.368 3.854 . 0 0 "[ . 1 . ]" 1
615 1 81 TYR HA 1 82 LYS H 2.600 . 2.600 2.266 2.184 2.364 . 0 0 "[ . 1 . ]" 1
616 1 81 TYR HB2 1 82 LYS H 4.200 . 4.200 3.533 3.311 3.823 . 0 0 "[ . 1 . ]" 1
617 1 81 TYR HB3 1 82 LYS H 4.200 . 4.200 2.437 2.215 2.671 . 0 0 "[ . 1 . ]" 1
618 1 35 TRP HZ3 1 81 TYR HB2 3.300 . 3.700 2.470 2.066 2.696 . 0 0 "[ . 1 . ]" 1
619 1 35 TRP HZ3 1 81 TYR HB3 3.700 . 3.700 2.546 2.280 2.780 . 0 0 "[ . 1 . ]" 1
620 1 38 THR H 1 81 TYR HA 3.700 . 3.700 2.421 1.900 3.801 0.101 4 0 "[ . 1 . ]" 1
621 1 81 TYR HB2 1 98 PHE H 5.000 . 5.000 4.114 3.964 4.357 . 0 0 "[ . 1 . ]" 1
622 1 81 TYR HB3 1 98 PHE H 4.200 . 5.000 5.008 4.709 5.084 0.084 7 0 "[ . 1 . ]" 1
623 1 81 TYR QD 1 100 LEU H 3.700 . 6.200 2.518 2.003 3.727 . 0 0 "[ . 1 . ]" 1
624 1 81 TYR QD 1 100 LEU QB 3.700 . 6.700 2.857 2.052 3.856 . 0 0 "[ . 1 . ]" 1
625 1 37 LYS QB 1 81 TYR QD 3.700 . 6.700 4.425 3.572 5.711 . 0 0 "[ . 1 . ]" 1
626 1 81 TYR QD 1 98 PHE QD 5.000 . 9.000 4.888 4.289 5.508 . 0 0 "[ . 1 . ]" 1
627 1 79 ASP HA 1 81 TYR QD 4.400 . 6.400 5.478 4.789 5.969 . 0 0 "[ . 1 . ]" 1
628 1 78 GLN HA 1 81 TYR QD 5.000 . 7.000 6.094 5.664 6.572 . 0 0 "[ . 1 . ]" 1
629 1 38 THR HA 1 81 TYR QD 5.400 . 7.400 6.603 5.754 6.977 . 0 0 "[ . 1 . ]" 1
630 1 35 TRP HB3 1 81 TYR QD 4.200 . 8.000 4.227 3.521 5.157 . 0 0 "[ . 1 . ]" 1
631 1 36 GLU QB 1 81 TYR QD 5.000 . 8.000 5.843 5.391 6.443 . 0 0 "[ . 1 . ]" 1
632 1 81 TYR QD 1 82 LYS HB3 4.200 . 8.000 6.435 6.219 6.721 . 0 0 "[ . 1 . ]" 1
633 1 81 TYR QD 1 100 LEU MD1 4.200 . 9.000 4.392 2.789 5.750 . 0 0 "[ . 1 . ]" 1
634 1 68 LEU MD2 1 81 TYR QD 4.200 . 9.000 3.171 2.126 4.491 . 0 0 "[ . 1 . ]" 1
635 1 81 TYR QE 1 100 LEU H 3.700 . 6.200 3.128 2.489 4.225 . 0 0 "[ . 1 . ]" 1
636 1 81 TYR QE 1 100 LEU HA 4.200 . 6.200 4.238 3.890 4.893 . 0 0 "[ . 1 . ]" 1
637 1 77 ASP HA 1 81 TYR QE 5.000 . 7.000 6.106 5.241 6.583 . 0 0 "[ . 1 . ]" 1
638 1 79 ASP HA 1 81 TYR QE 4.200 . 6.200 4.498 3.550 5.169 . 0 0 "[ . 1 . ]" 1
639 1 78 GLN HA 1 81 TYR QE 3.700 . 5.700 4.062 3.646 4.925 . 0 0 "[ . 1 . ]" 1
640 1 81 TYR QE 1 100 LEU QB 5.000 . 8.000 1.697 1.044 2.987 . 0 0 "[ . 1 . ]" 1
641 1 37 LYS QB 1 81 TYR QE 5.000 . 8.000 4.566 3.383 5.982 . 0 0 "[ . 1 . ]" 1
642 1 81 TYR QE 1 100 LEU HG 5.000 . 7.000 3.467 2.157 5.204 . 0 0 "[ . 1 . ]" 1
643 1 80 ILE QG 1 81 TYR QE 6.000 . 9.000 5.692 4.923 6.649 . 0 0 "[ . 1 . ]" 1
644 1 81 TYR QE 1 100 LEU MD1 2.900 . 6.700 3.281 1.912 4.621 . 0 0 "[ . 1 . ]" 1
645 1 68 LEU HG 1 81 TYR QE 5.000 . 7.000 5.763 4.815 6.634 . 0 0 "[ . 1 . ]" 1
646 1 44 ILE MD 1 81 TYR QE 2.900 . 5.900 2.382 1.618 3.303 . 0 0 "[ . 1 . ]" 1
647 1 81 TYR QD 1 82 LYS H 4.200 . 6.700 3.922 3.676 4.211 . 0 0 "[ . 1 . ]" 1
648 1 35 TRP HE3 1 81 TYR HB2 3.700 . 4.200 3.627 3.216 3.957 . 0 0 "[ . 1 . ]" 1
649 1 35 TRP HE3 1 81 TYR HB3 4.200 . 4.200 2.281 2.041 2.538 . 0 0 "[ . 1 . ]" 1
650 1 81 TYR HB3 1 98 PHE QE 5.000 . 9.300 6.201 5.126 7.121 . 0 0 "[ . 1 . ]" 1
651 1 35 TRP HH2 1 81 TYR HB2 5.000 . 6.800 4.680 4.369 4.827 . 0 0 "[ . 1 . ]" 1
652 1 82 LYS HA 1 83 VAL H 2.600 . 2.600 2.122 2.032 2.293 . 0 0 "[ . 1 . ]" 1
653 1 82 LYS HB2 1 83 VAL H 5.000 . 5.000 4.082 3.771 4.371 . 0 0 "[ . 1 . ]" 1
654 1 82 LYS HB3 1 83 VAL H 4.200 . 4.200 4.128 3.835 4.212 0.012 6 0 "[ . 1 . ]" 1
655 1 82 LYS HA 1 98 PHE H 4.200 . 4.200 2.627 2.189 2.892 . 0 0 "[ . 1 . ]" 1
656 1 82 LYS QG 1 83 VAL H 2.900 . 3.900 2.368 1.755 2.815 . 0 0 "[ . 1 . ]" 1
657 1 82 LYS HA 1 97 ILE H 5.000 . 5.000 4.994 4.871 5.040 0.040 4 0 "[ . 1 . ]" 1
658 1 82 LYS HA 1 98 PHE QE 5.000 . 7.500 4.648 3.053 5.862 . 0 0 "[ . 1 . ]" 1
659 1 82 LYS HA 1 97 ILE MG 4.200 . 5.200 3.590 2.921 3.970 . 0 0 "[ . 1 . ]" 1
660 1 82 LYS HA 1 97 ILE HG12 4.200 . 6.000 4.860 4.211 5.408 . 0 0 "[ . 1 . ]" 1
661 1 82 LYS HA 1 97 ILE HA 2.900 . 2.900 2.323 2.066 2.599 . 0 0 "[ . 1 . ]" 1
662 1 82 LYS HA 1 98 PHE HB3 5.000 . 5.000 5.032 4.822 5.147 0.147 7 0 "[ . 1 . ]" 1
663 1 82 LYS HA 1 98 PHE HB2 5.000 . 5.000 3.393 3.134 3.726 . 0 0 "[ . 1 . ]" 1
664 1 83 VAL HA 1 84 SER H 2.600 . 2.600 1.986 1.975 2.001 . 0 0 "[ . 1 . ]" 1
665 1 83 VAL MG1 1 84 SER H 4.200 . 5.200 4.278 4.083 4.381 . 0 0 "[ . 1 . ]" 1
666 1 83 VAL MG2 1 84 SER H 3.300 . 4.300 2.998 2.796 3.188 . 0 0 "[ . 1 . ]" 1
667 1 83 VAL HB 1 84 SER H 4.200 . 4.200 4.208 3.996 4.249 0.049 17 0 "[ . 1 . ]" 1
668 1 35 TRP HE1 1 83 VAL MG2 3.700 . 5.200 2.596 2.356 2.836 . 0 0 "[ . 1 . ]" 1
669 1 83 VAL MG1 1 96 LYS H 3.300 . 4.300 2.941 2.495 3.177 . 0 0 "[ . 1 . ]" 1
670 1 35 TRP HE3 1 83 VAL HB 3.700 . 3.700 3.547 3.344 3.661 . 0 0 "[ . 1 . ]" 1
671 1 35 TRP HZ3 1 83 VAL HB 3.700 . 3.700 3.551 3.449 3.627 . 0 0 "[ . 1 . ]" 1
672 1 35 TRP HH2 1 83 VAL HB 4.200 . 4.200 3.387 3.217 3.620 . 0 0 "[ . 1 . ]" 1
673 1 35 TRP HZ2 1 83 VAL MG2 3.700 . 4.700 2.806 2.574 3.011 . 0 0 "[ . 1 . ]" 1
674 1 35 TRP HZ2 1 83 VAL MG1 3.700 . 4.700 3.303 2.964 3.563 . 0 0 "[ . 1 . ]" 1
675 1 35 TRP HH2 1 83 VAL MG1 3.700 . 4.700 3.466 2.967 3.719 . 0 0 "[ . 1 . ]" 1
676 1 83 VAL MG1 1 98 PHE QE 2.900 . 6.400 1.763 1.027 3.251 . 0 0 "[ . 1 . ]" 1
677 1 83 VAL H 1 96 LYS H 3.700 . 3.700 3.280 2.987 3.551 . 0 0 "[ . 1 . ]" 1
678 1 35 TRP HZ2 1 83 VAL HB 4.200 . 4.200 3.153 2.925 3.365 . 0 0 "[ . 1 . ]" 1
679 1 83 VAL MG2 1 98 PHE QE 3.700 . 7.200 3.925 3.206 4.818 . 0 0 "[ . 1 . ]" 1
680 1 83 VAL HB 1 98 PHE QE 5.000 . 7.500 3.500 2.076 4.954 . 0 0 "[ . 1 . ]" 1
681 1 35 TRP HH2 1 83 VAL MG2 5.000 . 6.000 4.233 4.129 4.447 . 0 0 "[ . 1 . ]" 1
682 1 35 TRP HD1 1 83 VAL MG2 3.700 . 4.700 3.333 2.956 3.690 . 0 0 "[ . 1 . ]" 1
683 1 83 VAL MG1 1 95 GLU HA 4.200 . 5.200 3.576 3.048 3.943 . 0 0 "[ . 1 . ]" 1
684 1 83 VAL MG2 1 84 SER HA 5.000 . 6.000 3.720 3.467 3.879 . 0 0 "[ . 1 . ]" 1
685 1 83 VAL MG2 1 85 ILE QG 5.000 . 7.000 1.919 1.607 2.245 . 0 0 "[ . 1 . ]" 1
686 1 84 SER HA 1 85 ILE H 2.600 . 2.600 2.041 2.017 2.083 . 0 0 "[ . 1 . ]" 1
687 1 84 SER HB2 1 85 ILE H 3.700 . 3.700 3.625 3.358 3.712 0.012 12 0 "[ . 1 . ]" 1
688 1 84 SER HA 1 96 LYS H 4.200 . 4.200 3.820 3.528 4.045 . 0 0 "[ . 1 . ]" 1
689 1 84 SER HB2 1 86 TYR QE 3.300 . 5.300 2.167 1.371 3.163 . 0 0 "[ . 1 . ]" 1
690 1 84 SER HB3 1 86 TYR QE 3.300 . 5.300 3.410 2.248 4.380 . 0 0 "[ . 1 . ]" 1
691 1 84 SER HA 1 95 GLU HA 2.600 . 2.600 2.575 2.377 2.620 0.020 15 0 "[ . 1 . ]" 1
692 1 84 SER HB3 1 86 TYR QD 4.200 . 6.200 5.222 4.458 5.723 . 0 0 "[ . 1 . ]" 1
693 1 84 SER HB2 1 86 TYR QD 4.200 . 6.200 3.955 3.457 4.359 . 0 0 "[ . 1 . ]" 1
694 1 85 ILE HA 1 86 TYR H 2.600 . 2.600 2.114 2.016 2.223 . 0 0 "[ . 1 . ]" 1
695 1 85 ILE HB 1 86 TYR H 5.000 . 5.000 4.040 3.899 4.189 . 0 0 "[ . 1 . ]" 1
696 1 34 LYS H 1 85 ILE HA 4.200 . 4.200 2.566 2.253 2.945 . 0 0 "[ . 1 . ]" 1
697 1 85 ILE H 1 94 LEU H 3.700 . 3.700 3.686 3.522 3.721 0.021 14 0 "[ . 1 . ]" 1
698 1 85 ILE MG 1 86 TYR H 3.300 . 4.300 2.882 2.657 3.152 . 0 0 "[ . 1 . ]" 1
699 1 86 TYR HA 1 87 ASP H 2.600 . 2.600 2.300 2.196 2.528 . 0 0 "[ . 1 . ]" 1
700 1 86 TYR HA 1 93 VAL H 3.300 . 3.300 2.147 2.011 2.359 . 0 0 "[ . 1 . ]" 1
701 1 86 TYR HB3 1 87 ASP H 3.700 . 3.700 2.406 1.971 2.701 . 0 0 "[ . 1 . ]" 1
702 1 86 TYR HB2 1 87 ASP H 3.700 . 3.700 3.250 2.739 3.676 . 0 0 "[ . 1 . ]" 1
703 1 86 TYR QD 1 87 ASP H 4.200 . 6.700 4.214 3.943 4.437 . 0 0 "[ . 1 . ]" 1
704 1 86 TYR QD 1 92 ASN H 4.200 . 6.700 3.609 2.228 5.090 . 0 0 "[ . 1 . ]" 1
705 1 84 SER HA 1 86 TYR QD 3.900 . 5.900 4.807 4.114 5.597 . 0 0 "[ . 1 . ]" 1
706 1 86 TYR QD 1 91 LYS HA 4.200 . 6.200 4.285 3.225 5.579 . 0 0 "[ . 1 . ]" 1
707 1 86 TYR QD 1 90 GLY HA2 4.200 . 8.000 3.566 2.585 4.410 . 0 0 "[ . 1 . ]" 1
708 1 34 LYS HD2 1 86 TYR QD 5.000 . 8.800 5.617 3.425 6.451 . 0 0 "[ . 1 . ]" 1
709 1 86 TYR QD 1 93 VAL MG1 5.000 . 8.000 4.572 3.942 6.177 . 0 0 "[ . 1 . ]" 1
710 1 85 ILE MG 1 86 TYR QD 4.200 . 7.200 4.463 3.947 5.127 . 0 0 "[ . 1 . ]" 1
711 1 86 TYR QE 1 92 ASN H 4.200 . 6.700 4.432 3.339 5.974 . 0 0 "[ . 1 . ]" 1
712 1 84 SER HA 1 86 TYR QE 4.200 . 6.200 3.869 2.884 5.010 . 0 0 "[ . 1 . ]" 1
713 1 33 ILE HA 1 86 TYR QE 6.000 . 8.000 5.314 4.454 6.697 . 0 0 "[ . 1 . ]" 1
714 1 86 TYR QE 1 91 LYS HA 5.000 . 7.000 5.552 4.675 6.503 . 0 0 "[ . 1 . ]" 1
715 1 34 LYS HD2 1 86 TYR QE 3.700 . 7.500 4.187 3.115 5.733 . 0 0 "[ . 1 . ]" 1
716 1 86 TYR HA 1 92 ASN HA 2.900 . 2.900 2.868 2.645 2.933 0.033 2 0 "[ . 1 . ]" 1
717 1 86 TYR QD 1 93 VAL H 4.200 . 6.700 3.475 2.552 4.269 . 0 0 "[ . 1 . ]" 1
718 1 32 ASP H 1 86 TYR HB3 4.200 . 6.000 5.141 4.368 5.725 . 0 0 "[ . 1 . ]" 1
719 1 86 TYR HA 1 93 VAL MG2 3.300 . 4.300 2.418 1.623 2.973 . 0 0 "[ . 1 . ]" 1
720 1 86 TYR HA 1 93 VAL MG1 4.200 . 5.200 2.696 2.214 4.215 . 0 0 "[ . 1 . ]" 1
721 1 86 TYR HA 1 93 VAL HB 5.000 . 5.000 4.918 4.162 5.020 0.020 2 0 "[ . 1 . ]" 1
722 1 86 TYR HA 1 91 LYS QB 4.200 . 5.200 4.738 4.562 4.791 . 0 0 "[ . 1 . ]" 1
723 1 30 ILE MD 1 86 TYR HA 6.000 . 7.000 4.539 3.129 5.483 . 0 0 "[ . 1 . ]" 1
724 1 85 ILE MG 1 86 TYR HA 6.000 . 7.000 4.629 4.537 4.795 . 0 0 "[ . 1 . ]" 1
725 1 85 ILE HA 1 86 TYR HA 5.000 . 5.000 4.380 4.352 4.424 . 0 0 "[ . 1 . ]" 1
726 1 86 TYR HA 1 87 ASP HA 5.000 . 5.000 4.339 4.205 4.393 . 0 0 "[ . 1 . ]" 1
727 1 86 TYR HA 1 92 ASN HB3 6.000 . 7.800 5.368 4.998 5.930 . 0 0 "[ . 1 . ]" 1
728 1 87 ASP HA 1 88 THR H 2.900 . 2.900 2.625 2.561 2.758 . 0 0 "[ . 1 . ]" 1
729 1 87 ASP HB2 1 88 THR H 2.900 . 2.900 1.895 1.888 1.899 . 0 0 "[ . 1 . ]" 1
730 1 87 ASP HB3 1 88 THR H 3.300 . 3.300 3.331 3.246 3.396 0.096 4 0 "[ . 1 . ]" 1
731 1 87 ASP HB2 1 89 LYS H 3.300 . 3.300 3.105 2.875 3.321 0.021 4 0 "[ . 1 . ]" 1
732 1 87 ASP HA 1 88 THR MG 5.000 . 6.000 3.882 3.707 4.144 . 0 0 "[ . 1 . ]" 1
733 1 32 ASP H 1 87 ASP HA 3.700 . 3.700 3.106 2.913 3.423 . 0 0 "[ . 1 . ]" 1
734 1 31 ASP H 1 87 ASP HA 2.900 . 2.900 1.958 1.898 2.067 . 0 0 "[ . 1 . ]" 1
735 1 87 ASP H 1 91 LYS H 3.700 . 3.700 3.253 2.605 3.591 . 0 0 "[ . 1 . ]" 1
736 1 30 ILE MG 1 87 ASP HA 4.200 . 5.200 3.085 2.386 4.403 . 0 0 "[ . 1 . ]" 1
737 1 87 ASP HA 1 93 VAL MG2 4.200 . 5.200 4.092 3.034 4.245 . 0 0 "[ . 1 . ]" 1
738 1 87 ASP HA 1 93 VAL MG1 4.200 . 5.200 3.602 3.183 4.159 . 0 0 "[ . 1 . ]" 1
739 1 88 THR HA 1 89 LYS H 3.700 . 3.700 3.487 3.462 3.521 . 0 0 "[ . 1 . ]" 1
740 1 88 THR HB 1 89 LYS H 5.000 . 5.000 4.100 3.766 4.362 . 0 0 "[ . 1 . ]" 1
741 1 88 THR HA 1 90 GLY H 5.000 . 5.000 3.681 3.478 3.899 . 0 0 "[ . 1 . ]" 1
742 1 31 ASP H 1 88 THR HA 4.200 . 4.200 4.158 3.928 4.234 0.034 1 0 "[ . 1 . ]" 1
743 1 89 LYS HA 1 90 GLY H 3.700 . 3.700 3.083 2.852 3.400 . 0 0 "[ . 1 . ]" 1
744 1 89 LYS H 1 91 LYS H 5.000 . 5.000 3.414 3.159 3.785 . 0 0 "[ . 1 . ]" 1
745 1 89 LYS HB2 1 91 LYS H 4.200 . 6.000 3.324 2.881 3.974 . 0 0 "[ . 1 . ]" 1
746 1 90 GLY HA2 1 91 LYS H 3.300 . 5.100 3.147 2.915 3.353 . 0 0 "[ . 1 . ]" 1
747 1 90 GLY H 1 91 LYS H 2.600 . 2.600 2.592 2.473 2.618 0.018 8 0 "[ . 1 . ]" 1
748 1 91 LYS HA 1 92 ASN H 2.400 . 2.400 2.117 2.054 2.467 0.067 2 0 "[ . 1 . ]" 1
749 1 91 LYS QB 1 92 ASN H 3.300 . 4.300 3.336 1.884 3.853 . 0 0 "[ . 1 . ]" 1
750 1 87 ASP H 1 91 LYS QB 5.000 . 6.000 3.525 2.941 3.801 . 0 0 "[ . 1 . ]" 1
751 1 92 ASN HA 1 93 VAL H 2.600 . 2.600 2.095 2.011 2.238 . 0 0 "[ . 1 . ]" 1
752 1 92 ASN HA 1 94 LEU H 4.200 . 4.200 3.391 3.216 3.801 . 0 0 "[ . 1 . ]" 1
753 1 86 TYR QD 1 92 ASN HA 3.300 . 5.300 2.282 1.351 3.367 . 0 0 "[ . 1 . ]" 1
754 1 86 TYR QE 1 92 ASN HA 3.700 . 5.700 3.500 3.081 4.072 . 0 0 "[ . 1 . ]" 1
755 1 92 ASN HB2 1 93 VAL H 4.200 . 6.000 4.154 3.675 4.635 . 0 0 "[ . 1 . ]" 1
756 1 86 TYR QD 1 92 ASN HB2 4.200 . 6.200 3.899 2.453 5.495 . 0 0 "[ . 1 . ]" 1
757 1 86 TYR QE 1 92 ASN HB2 3.700 . 5.700 3.548 2.036 5.150 . 0 0 "[ . 1 . ]" 1
758 1 86 TYR QD 1 92 ASN HB3 3.300 . 6.200 3.594 2.495 5.195 . 0 0 "[ . 1 . ]" 1
759 1 86 TYR QE 1 92 ASN HB3 3.300 . 5.700 3.145 2.018 5.049 . 0 0 "[ . 1 . ]" 1
760 1 93 VAL HA 1 94 LEU H 3.400 . 3.400 3.412 3.373 3.482 0.082 3 0 "[ . 1 . ]" 1
761 1 93 VAL MG2 1 94 LEU H 3.300 . 4.300 2.477 2.140 2.783 . 0 0 "[ . 1 . ]" 1
762 1 93 VAL MG1 1 94 LEU H 3.700 . 4.700 3.904 3.707 4.033 . 0 0 "[ . 1 . ]" 1
763 1 85 ILE H 1 93 VAL MG2 5.000 . 6.000 4.416 4.145 4.844 . 0 0 "[ . 1 . ]" 1
764 1 93 VAL H 1 94 LEU H 2.900 . 2.900 2.327 2.057 2.586 . 0 0 "[ . 1 . ]" 1
765 1 87 ASP H 1 93 VAL MG1 5.000 . 6.000 2.161 1.557 4.250 . 0 0 "[ . 1 . ]" 1
766 1 87 ASP H 1 93 VAL MG2 3.700 . 4.700 3.356 2.420 3.631 . 0 0 "[ . 1 . ]" 1
767 1 94 LEU HA 1 95 GLU H 2.400 . 2.400 2.134 2.064 2.251 . 0 0 "[ . 1 . ]" 1
768 1 94 LEU HB2 1 95 GLU H 3.700 . 3.700 3.719 3.681 3.775 0.075 14 0 "[ . 1 . ]" 1
769 1 94 LEU MD2 1 95 GLU H 4.200 . 7.000 3.339 1.308 4.288 . 0 0 "[ . 1 . ]" 1
770 1 24 PHE QD 1 94 LEU MD2 3.300 . 6.800 3.595 1.893 4.989 . 0 0 "[ . 1 . ]" 1
771 1 94 LEU MD2 1 95 GLU HA 4.200 . 7.000 4.009 2.442 4.983 . 0 0 "[ . 1 . ]" 1
772 1 24 PHE HA 1 94 LEU MD2 4.200 . 7.000 5.610 4.265 7.161 0.161 4 0 "[ . 1 . ]" 1
773 1 24 PHE HB2 1 94 LEU MD2 3.700 . 7.000 3.873 2.335 5.473 . 0 0 "[ . 1 . ]" 1
774 1 24 PHE QD 1 94 LEU MD1 3.300 . 6.800 3.361 1.019 5.185 . 0 0 "[ . 1 . ]" 1
775 1 24 PHE HB3 1 94 LEU MD2 4.200 . 7.000 3.625 1.979 5.961 . 0 0 "[ . 1 . ]" 1
776 1 94 LEU MD2 1 96 LYS H 5.000 . 7.800 5.137 3.557 6.364 . 0 0 "[ . 1 . ]" 1
777 1 24 PHE QD 1 94 LEU HG 5.000 . 7.500 4.935 3.344 6.799 . 0 0 "[ . 1 . ]" 1
778 1 95 GLU HA 1 96 LYS H 2.400 . 2.400 2.250 2.099 2.403 0.003 11 0 "[ . 1 . ]" 1
779 1 95 GLU QG 1 96 LYS H 4.200 . 5.200 3.365 1.728 4.535 . 0 0 "[ . 1 . ]" 1
780 1 95 GLU HB2 1 96 LYS H 4.200 . 6.000 3.041 2.218 4.145 . 0 0 "[ . 1 . ]" 1
781 1 85 ILE H 1 95 GLU HA 3.700 . 3.700 3.451 3.204 3.636 . 0 0 "[ . 1 . ]" 1
782 1 96 LYS HA 1 97 ILE H 2.400 . 2.400 2.289 2.114 2.405 0.005 10 0 "[ . 1 . ]" 1
783 1 96 LYS HB3 1 97 ILE H 3.700 . 4.200 3.066 2.324 4.025 . 0 0 "[ . 1 . ]" 1
784 1 96 LYS HB2 1 97 ILE H 4.200 . 4.200 3.882 2.664 4.143 . 0 0 "[ . 1 . ]" 1
785 1 96 LYS HB2 1 98 PHE QE 4.200 . 6.700 3.547 1.634 5.259 . 0 0 "[ . 1 . ]" 1
786 1 96 LYS HB3 1 98 PHE QE 4.200 . 6.700 2.574 1.445 5.235 . 0 0 "[ . 1 . ]" 1
787 1 97 ILE HA 1 98 PHE H 2.600 . 2.600 2.143 2.061 2.346 . 0 0 "[ . 1 . ]" 1
788 1 97 ILE HA 1 98 PHE QD 3.300 . 5.300 3.156 2.385 4.269 . 0 0 "[ . 1 . ]" 1
789 1 97 ILE MG 1 98 PHE H 3.700 . 4.700 2.373 1.961 3.131 . 0 0 "[ . 1 . ]" 1
790 1 97 ILE HB 1 98 PHE H 4.200 . 4.200 3.678 3.190 3.994 . 0 0 "[ . 1 . ]" 1
791 1 83 VAL H 1 97 ILE HA 4.200 . 4.200 3.247 2.737 3.603 . 0 0 "[ . 1 . ]" 1
792 1 7 LEU H 1 97 ILE HB 5.000 . 5.000 4.294 3.860 4.810 . 0 0 "[ . 1 . ]" 1
793 1 6 ALA H 1 97 ILE MD 5.000 . 6.000 4.593 4.031 4.785 . 0 0 "[ . 1 . ]" 1
794 1 96 LYS H 1 97 ILE HG12 5.000 . 5.000 4.926 4.707 5.022 0.022 7 0 "[ . 1 . ]" 1
795 1 96 LYS H 1 97 ILE HG13 5.000 . 5.000 4.908 4.739 5.015 0.015 7 0 "[ . 1 . ]" 1
796 1 97 ILE HA 1 98 PHE QE 5.000 . 7.500 4.761 3.649 5.843 . 0 0 "[ . 1 . ]" 1
797 1 97 ILE HB 1 98 PHE HA 5.000 . 5.000 4.565 4.292 4.734 . 0 0 "[ . 1 . ]" 1
798 1 98 PHE HA 1 99 ASP H 2.600 . 2.600 2.382 2.259 2.575 . 0 0 "[ . 1 . ]" 1
799 1 98 PHE HB3 1 99 ASP H 4.200 . 5.000 2.332 2.051 2.581 . 0 0 "[ . 1 . ]" 1
800 1 98 PHE HB2 1 99 ASP H 5.000 . 5.000 3.614 3.339 3.916 . 0 0 "[ . 1 . ]" 1
801 1 81 TYR QD 1 98 PHE HB2 3.700 . 5.700 3.837 3.243 4.272 . 0 0 "[ . 1 . ]" 1
802 1 81 TYR QE 1 98 PHE HB2 4.200 . 8.000 5.948 5.395 6.291 . 0 0 "[ . 1 . ]" 1
803 1 81 TYR QD 1 98 PHE HB3 3.700 . 5.700 3.648 3.094 4.495 . 0 0 "[ . 1 . ]" 1
804 1 81 TYR H 1 98 PHE HB2 5.000 . 6.800 3.398 2.956 3.800 . 0 0 "[ . 1 . ]" 1
805 1 7 LEU H 1 98 PHE HB3 5.000 . 6.800 4.817 4.472 5.218 . 0 0 "[ . 1 . ]" 1
806 1 35 TRP HZ3 1 98 PHE HB3 5.000 . 5.000 3.460 2.976 3.964 . 0 0 "[ . 1 . ]" 1
807 1 35 TRP HZ3 1 98 PHE HB2 4.200 . 5.000 2.665 2.191 3.160 . 0 0 "[ . 1 . ]" 1
808 1 81 TYR HA 1 98 PHE QD 6.000 . 8.000 5.879 4.733 6.623 . 0 0 "[ . 1 . ]" 1
809 1 6 ALA HA 1 98 PHE QD 6.000 . 8.000 4.833 3.187 5.546 . 0 0 "[ . 1 . ]" 1
810 1 9 THR HB 1 98 PHE QD 4.200 . 6.200 4.666 3.949 5.945 . 0 0 "[ . 1 . ]" 1
811 1 19 LEU QB 1 98 PHE QD 5.000 . 8.000 3.577 2.847 4.206 . 0 0 "[ . 1 . ]" 1
812 1 19 LEU HG 1 98 PHE QD 5.000 . 7.000 4.345 2.223 5.908 . 0 0 "[ . 1 . ]" 1
813 1 97 ILE HG13 1 98 PHE QD 6.000 . 9.800 5.707 5.064 6.463 . 0 0 "[ . 1 . ]" 1
814 1 80 ILE MG 1 98 PHE QD 5.000 . 8.000 5.666 5.360 5.983 . 0 0 "[ . 1 . ]" 1
815 1 83 VAL MG1 1 98 PHE QD 4.200 . 7.200 2.801 1.867 3.454 . 0 0 "[ . 1 . ]" 1
816 1 83 VAL MG2 1 98 PHE QD 6.000 . 9.000 4.961 4.444 5.287 . 0 0 "[ . 1 . ]" 1
817 1 83 VAL HB 1 98 PHE QD 5.000 . 7.000 3.936 3.288 4.640 . 0 0 "[ . 1 . ]" 1
818 1 99 ASP HA 1 100 LEU H 2.600 . 2.600 2.102 1.991 2.184 . 0 0 "[ . 1 . ]" 1
819 1 99 ASP HB3 1 100 LEU H 4.200 . 4.200 4.131 4.011 4.267 0.067 1 0 "[ . 1 . ]" 1
820 1 81 TYR H 1 99 ASP HA 3.700 . 3.700 2.637 2.366 2.996 . 0 0 "[ . 1 . ]" 1
821 1 81 TYR QD 1 99 ASP HA 5.000 . 7.000 3.425 2.818 4.623 . 0 0 "[ . 1 . ]" 1
822 1 80 ILE QG 1 99 ASP HA 3.700 . 5.200 3.294 2.121 4.174 . 0 0 "[ . 1 . ]" 1
823 1 80 ILE MG 1 99 ASP HA 3.700 . 5.200 2.600 2.098 3.233 . 0 0 "[ . 1 . ]" 1
824 1 100 LEU HA 1 101 LYS H 2.600 . 2.600 2.085 1.972 2.309 . 0 0 "[ . 1 . ]" 1
825 1 100 LEU QB 1 101 LYS H 4.200 . 5.200 3.456 2.577 3.938 . 0 0 "[ . 1 . ]" 1
826 1 101 LYS HA 1 102 ILE H 2.900 . 2.900 2.303 2.149 2.459 . 0 0 "[ . 1 . ]" 1
827 1 101 LYS QG 1 102 ILE H 5.000 . 6.000 3.888 3.167 4.358 . 0 0 "[ . 1 . ]" 1
828 1 101 LYS HB2 1 102 ILE H 3.700 . 3.700 3.534 3.173 3.713 0.013 17 0 "[ . 1 . ]" 1
829 1 101 LYS HB3 1 102 ILE H 3.700 . 3.700 2.312 1.995 2.547 . 0 0 "[ . 1 . ]" 1
830 1 10 TRP HZ2 1 101 LYS HD2 4.200 . 4.200 3.502 2.609 3.994 . 0 0 "[ . 1 . ]" 1
831 1 10 TRP HZ2 1 101 LYS HD3 4.200 . 4.200 3.698 2.801 4.205 0.005 18 0 "[ . 1 . ]" 1
832 1 10 TRP HZ3 1 101 LYS HB3 3.700 . 3.700 2.666 2.485 2.776 . 0 0 "[ . 1 . ]" 1
833 1 10 TRP HZ3 1 101 LYS HB2 3.700 . 3.700 3.707 3.485 3.763 0.063 7 0 "[ . 1 . ]" 1
834 1 10 TRP HZ3 1 101 LYS QG 4.200 . 5.200 4.638 4.287 4.765 . 0 0 "[ . 1 . ]" 1
835 1 78 GLN HE22 1 101 LYS HB3 5.000 . 6.800 5.920 4.590 6.908 0.108 11 0 "[ . 1 . ]" 1
836 1 102 ILE HA 1 103 GLN H 2.600 . 2.600 2.216 2.083 2.428 . 0 0 "[ . 1 . ]" 1
837 1 102 ILE HB 1 103 GLN H 3.700 . 3.700 3.738 3.715 3.766 0.066 14 0 "[ . 1 . ]" 1
838 1 102 ILE MG 1 103 GLN H 3.700 . 4.700 2.094 1.714 2.304 . 0 0 "[ . 1 . ]" 1
839 1 13 LEU H 1 102 ILE MG 3.700 . 4.700 2.772 1.891 3.422 . 0 0 "[ . 1 . ]" 1
840 1 102 ILE MD 1 103 GLN H 3.700 . 4.700 3.849 3.778 3.983 . 0 0 "[ . 1 . ]" 1
841 1 13 LEU MD2 1 102 ILE MD 3.700 . 7.500 4.086 2.664 5.141 . 0 0 "[ . 1 . ]" 1
842 1 103 GLN HA 1 104 GLU H 2.400 . 2.400 2.194 1.988 2.410 0.010 1 0 "[ . 1 . ]" 1
843 1 103 GLN QG 1 104 GLU H 3.700 . 4.700 2.618 1.459 4.343 . 0 0 "[ . 1 . ]" 1
844 1 103 GLN HB2 1 104 GLU H 4.200 . 4.200 3.543 2.478 4.461 0.261 13 0 "[ . 1 . ]" 1
845 1 103 GLN HB3 1 104 GLU H 3.700 . 4.200 4.083 3.645 4.417 0.217 13 0 "[ . 1 . ]" 1
846 1 10 TRP HE3 1 103 GLN HB2 4.200 . 6.000 2.577 1.882 4.219 . 0 0 "[ . 1 . ]" 1
847 1 10 TRP HZ3 1 103 GLN HA 3.300 . 3.300 2.931 2.362 3.318 0.018 8 0 "[ . 1 . ]" 1
848 1 10 TRP HZ3 1 103 GLN QG 4.200 . 5.200 4.648 4.389 4.771 . 0 0 "[ . 1 . ]" 1
849 1 104 GLU HA 1 105 ARG H 2.400 . 2.400 2.209 2.003 2.465 0.065 8 0 "[ . 1 . ]" 1
850 1 13 LEU MD2 1 104 GLU HB3 4.200 . 8.800 6.163 4.099 8.725 . 0 0 "[ . 1 . ]" 1
851 1 104 GLU HB3 1 105 ARG H 4.200 . 4.200 4.263 4.138 4.387 0.187 7 0 "[ . 1 . ]" 1
852 1 104 GLU HB2 1 105 ARG H 3.700 . 4.200 4.247 4.031 4.484 0.284 15 0 "[ . 1 . ]" 1
853 1 104 GLU HG3 1 105 ARG H 4.200 . 6.000 5.075 4.018 5.910 . 0 0 "[ . 1 . ]" 1
854 1 104 GLU H 1 105 ARG H 3.300 . 3.300 3.152 2.407 3.364 0.064 13 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 148
_Distance_constraint_stats_list.Viol_total 15.973
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 17 ILE 0.032 0.014 4 0 "[ . 1 . ]"
1 19 LEU 0.050 0.006 6 0 "[ . 1 . ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 33 ILE 0.067 0.019 3 0 "[ . 1 . ]"
1 34 LYS 0.020 0.006 1 0 "[ . 1 . ]"
1 35 TRP 0.080 0.027 4 0 "[ . 1 . ]"
1 36 GLU 0.161 0.016 18 0 "[ . 1 . ]"
1 45 ALA 0.080 0.027 4 0 "[ . 1 . ]"
1 46 GLN 0.283 0.032 5 0 "[ . 1 . ]"
1 47 PHE 0.067 0.019 3 0 "[ . 1 . ]"
1 54 PHE 0.283 0.032 5 0 "[ . 1 . ]"
1 61 LYS 0.054 0.027 9 0 "[ . 1 . ]"
1 63 PHE 0.008 0.005 15 0 "[ . 1 . ]"
1 67 THR 0.008 0.005 15 0 "[ . 1 . ]"
1 68 LEU 0.050 0.006 6 0 "[ . 1 . ]"
1 69 LYS 0.054 0.027 9 0 "[ . 1 . ]"
1 70 ILE 0.032 0.014 4 0 "[ . 1 . ]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 81 TYR 0.050 0.016 7 0 "[ . 1 . ]"
1 82 LYS 0.161 0.016 18 0 "[ . 1 . ]"
1 83 VAL 0.007 0.003 7 0 "[ . 1 . ]"
1 84 SER 0.020 0.006 1 0 "[ . 1 . ]"
1 85 ILE 0.075 0.028 18 0 "[ . 1 . ]"
1 86 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 94 LEU 0.075 0.028 18 0 "[ . 1 . ]"
1 96 LYS 0.007 0.003 7 0 "[ . 1 . ]"
1 98 PHE 0.050 0.016 7 0 "[ . 1 . ]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ILE H 1 70 ILE O . . 2.300 2.084 1.856 2.287 . 0 0 "[ . 1 . ]" 2
2 1 17 ILE N 1 70 ILE O . 2.500 3.300 3.100 2.871 3.314 0.014 4 0 "[ . 1 . ]" 2
3 1 17 ILE O 1 70 ILE H . . 2.300 1.916 1.799 2.308 0.008 4 0 "[ . 1 . ]" 2
4 1 17 ILE O 1 70 ILE N . 2.500 3.300 2.877 2.618 3.215 . 0 0 "[ . 1 . ]" 2
5 1 19 LEU H 1 68 LEU O . . 2.300 1.863 1.795 2.238 0.005 9 0 "[ . 1 . ]" 2
6 1 19 LEU N 1 68 LEU O . 2.500 3.300 2.590 2.494 2.851 0.006 6 0 "[ . 1 . ]" 2
7 1 19 LEU O 1 68 LEU H . . 2.300 1.937 1.798 2.165 0.002 7 0 "[ . 1 . ]" 2
8 1 19 LEU O 1 68 LEU N . 2.500 3.300 2.904 2.625 3.149 . 0 0 "[ . 1 . ]" 2
9 1 63 PHE H 1 67 THR O . . 2.300 2.132 1.886 2.305 0.005 15 0 "[ . 1 . ]" 2
10 1 63 PHE N 1 67 THR O . 2.500 3.300 2.901 2.598 3.127 . 0 0 "[ . 1 . ]" 2
11 1 61 LYS H 1 69 LYS O . . 2.300 1.943 1.796 2.176 0.004 9 0 "[ . 1 . ]" 2
12 1 61 LYS N 1 69 LYS O . 2.500 3.300 2.959 2.733 3.153 . 0 0 "[ . 1 . ]" 2
13 1 61 LYS O 1 69 LYS H . . 2.300 2.055 1.797 2.327 0.027 9 0 "[ . 1 . ]" 2
14 1 61 LYS O 1 69 LYS N . 2.500 3.300 2.993 2.658 3.207 . 0 0 "[ . 1 . ]" 2
15 1 85 ILE H 1 94 LEU O . . 2.300 2.228 2.094 2.299 . 0 0 "[ . 1 . ]" 2
16 1 85 ILE N 1 94 LEU O . 2.500 3.300 3.271 3.138 3.328 0.028 18 0 "[ . 1 . ]" 2
17 1 83 VAL O 1 96 LYS H . . 2.300 2.150 1.918 2.303 0.003 7 0 "[ . 1 . ]" 2
18 1 83 VAL O 1 96 LYS N . 2.500 3.300 3.030 2.879 3.163 . 0 0 "[ . 1 . ]" 2
19 1 83 VAL H 1 96 LYS O . . 2.300 1.963 1.798 2.201 0.002 10 0 "[ . 1 . ]" 2
20 1 83 VAL N 1 96 LYS O . 2.500 3.300 2.924 2.759 3.104 . 0 0 "[ . 1 . ]" 2
21 1 81 TYR O 1 98 PHE H . . 2.300 1.803 1.794 1.827 0.006 7 0 "[ . 1 . ]" 2
22 1 81 TYR O 1 98 PHE N . 2.500 3.300 2.731 2.645 2.818 . 0 0 "[ . 1 . ]" 2
23 1 81 TYR H 1 98 PHE O . . 2.300 2.138 1.854 2.298 . 0 0 "[ . 1 . ]" 2
24 1 81 TYR N 1 98 PHE O . 2.500 3.300 3.157 2.898 3.316 0.016 7 0 "[ . 1 . ]" 2
25 1 79 ASP O 1 100 LEU H . . 2.300 2.068 1.846 2.300 . 0 0 "[ . 1 . ]" 2
26 1 79 ASP O 1 100 LEU N . 2.500 3.300 2.787 2.583 2.973 . 0 0 "[ . 1 . ]" 2
27 1 32 ASP O 1 86 TYR H . . 2.300 2.050 1.908 2.292 . 0 0 "[ . 1 . ]" 2
28 1 32 ASP O 1 86 TYR N . 2.500 3.300 2.861 2.686 3.076 . 0 0 "[ . 1 . ]" 2
29 1 32 ASP H 1 86 TYR O . . 2.300 1.945 1.801 2.161 . 0 0 "[ . 1 . ]" 2
30 1 32 ASP N 1 86 TYR O . 2.500 3.300 2.889 2.642 3.156 . 0 0 "[ . 1 . ]" 2
31 1 34 LYS H 1 84 SER O . . 2.300 2.171 1.830 2.306 0.006 1 0 "[ . 1 . ]" 2
32 1 34 LYS N 1 84 SER O . 2.500 3.300 2.782 2.519 3.174 . 0 0 "[ . 1 . ]" 2
33 1 34 LYS O 1 84 SER H . . 2.300 2.000 1.799 2.302 0.002 9 0 "[ . 1 . ]" 2
34 1 34 LYS O 1 84 SER N . 2.500 3.300 2.960 2.734 3.236 . 0 0 "[ . 1 . ]" 2
35 1 36 GLU H 1 82 LYS O . . 2.300 2.100 1.868 2.302 0.002 3 0 "[ . 1 . ]" 2
36 1 36 GLU N 1 82 LYS O . 2.500 3.300 3.130 2.874 3.312 0.012 7 0 "[ . 1 . ]" 2
37 1 36 GLU O 1 82 LYS H . . 2.300 2.293 2.234 2.316 0.016 18 0 "[ . 1 . ]" 2
38 1 36 GLU O 1 82 LYS N . 2.500 3.300 3.269 3.143 3.311 0.011 16 0 "[ . 1 . ]" 2
39 1 33 ILE H 1 47 PHE O . . 2.300 2.257 2.122 2.308 0.008 7 0 "[ . 1 . ]" 2
40 1 33 ILE N 1 47 PHE O . 2.500 3.300 3.249 3.127 3.319 0.019 3 0 "[ . 1 . ]" 2
41 1 33 ILE O 1 47 PHE H . . 2.300 1.899 1.798 2.147 0.002 17 0 "[ . 1 . ]" 2
42 1 33 ILE O 1 47 PHE N . 2.500 3.300 2.858 2.608 3.029 . 0 0 "[ . 1 . ]" 2
43 1 35 TRP H 1 45 ALA O . . 2.300 1.858 1.798 2.236 0.002 8 0 "[ . 1 . ]" 2
44 1 35 TRP N 1 45 ALA O . 2.500 3.300 2.781 2.579 3.245 . 0 0 "[ . 1 . ]" 2
45 1 35 TRP O 1 45 ALA H . . 2.300 2.212 2.009 2.304 0.004 16 0 "[ . 1 . ]" 2
46 1 35 TRP O 1 45 ALA N . 2.500 3.300 3.233 2.950 3.327 0.027 4 0 "[ . 1 . ]" 2
47 1 46 GLN O 1 54 PHE H . . 2.300 2.229 2.052 2.313 0.013 18 0 "[ . 1 . ]" 2
48 1 46 GLN O 1 54 PHE N . 2.500 3.300 3.168 2.999 3.309 0.009 15 0 "[ . 1 . ]" 2
49 1 46 GLN H 1 54 PHE O . . 2.300 2.256 2.034 2.305 0.005 15 0 "[ . 1 . ]" 2
50 1 46 GLN N 1 54 PHE O . 2.500 3.300 3.291 3.089 3.332 0.032 5 0 "[ . 1 . ]" 2
stop_
save_
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