NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449711 |
2p81   |
7386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2p81
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 693
_Distance_constraint_stats_list.Viol_count 1367
_Distance_constraint_stats_list.Viol_total 4883.333
_Distance_constraint_stats_list.Viol_max 2.352
_Distance_constraint_stats_list.Viol_rms 0.1180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.1429
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.028 0.012 25 0 "[ . 1 . 2 .]"
1 2 LYS 0.031 0.012 25 0 "[ . 1 . 2 .]"
1 3 ARG 0.002 0.002 2 0 "[ . 1 . 2 .]"
1 4 GLU 0.042 0.013 14 0 "[ . 1 . 2 .]"
1 5 PHE 1.037 0.062 24 0 "[ . 1 . 2 .]"
1 6 ASN 2.744 0.148 25 0 "[ . 1 . 2 .]"
1 7 GLU 1.466 0.148 25 0 "[ . 1 . 2 .]"
1 8 ASN 5.103 0.222 14 0 "[ . 1 . 2 .]"
1 9 ARG 6.812 0.222 14 0 "[ . 1 . 2 .]"
1 10 TYR 3.903 0.123 22 0 "[ . 1 . 2 .]"
1 11 LEU 2.968 0.123 22 0 "[ . 1 . 2 .]"
1 12 THR 2.046 0.093 24 0 "[ . 1 . 2 .]"
1 13 GLU 0.206 0.021 15 0 "[ . 1 . 2 .]"
1 14 ARG 0.730 0.055 17 0 "[ . 1 . 2 .]"
1 15 ARG 0.582 0.055 17 0 "[ . 1 . 2 .]"
1 16 ARG 1.112 0.043 10 0 "[ . 1 . 2 .]"
1 17 GLN 0.614 0.043 10 0 "[ . 1 . 2 .]"
1 18 GLN 0.579 0.030 5 0 "[ . 1 . 2 .]"
1 19 LEU 9.650 0.610 4 1 "[ +. 1 . 2 .]"
1 20 SER 0.639 0.041 5 0 "[ . 1 . 2 .]"
1 21 SER 0.459 0.030 5 0 "[ . 1 . 2 .]"
1 22 GLU 0.378 0.024 22 0 "[ . 1 . 2 .]"
1 23 LEU 0.526 0.035 19 0 "[ . 1 . 2 .]"
1 24 GLY 0.063 0.021 20 0 "[ . 1 . 2 .]"
1 25 LEU 127.694 2.352 20 25 [*****************-*+*****]
1 26 ASN 5.459 0.311 17 0 "[ . 1 . 2 .]"
1 27 GLU 5.380 0.145 22 0 "[ . 1 . 2 .]"
1 28 ALA 12.729 0.535 17 1 "[ . 1 . + 2 .]"
1 29 GLN 3.020 0.088 8 0 "[ . 1 . 2 .]"
1 30 ILE 158.990 2.352 20 25 [****************-**+*****]
1 31 LYS 1.222 0.057 19 0 "[ . 1 . 2 .]"
1 32 ILE 4.770 0.117 20 0 "[ . 1 . 2 .]"
1 33 TRP 13.864 0.168 9 0 "[ . 1 . 2 .]"
1 34 PHE 9.781 0.168 9 0 "[ . 1 . 2 .]"
1 35 GLN 3.471 0.132 20 0 "[ . 1 . 2 .]"
1 36 ASN 1.650 0.073 4 0 "[ . 1 . 2 .]"
1 37 LYS 0.035 0.008 21 0 "[ . 1 . 2 .]"
1 38 ARG 0.153 0.034 20 0 "[ . 1 . 2 .]"
1 39 ALA 0.393 0.086 21 0 "[ . 1 . 2 .]"
1 40 LYS 0.215 0.086 21 0 "[ . 1 . 2 .]"
1 41 ILE 0.080 0.020 17 0 "[ . 1 . 2 .]"
1 42 LYS 0.031 0.008 1 0 "[ . 1 . 2 .]"
1 43 LYS 0.008 0.008 1 0 "[ . 1 . 2 .]"
1 44 SER 0.000 0.000 . 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 1 ALA HA 1 2 LYS H 3.000 . 3.600 2.841 2.142 3.572 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 ALA MB 1 2 LYS H 3.000 . 3.600 2.957 2.010 3.612 0.012 25 0 "[ . 1 . 2 .]" 1
3 1 2 LYS HA 1 3 ARG H 2.200 . 2.700 2.272 2.139 2.702 0.002 2 0 "[ . 1 . 2 .]" 1
4 1 2 LYS QB 1 3 ARG H 4.000 . 7.000 3.243 1.981 3.989 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 LYS QG 1 3 ARG H 4.000 . 7.000 3.603 2.195 4.416 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 ARG QB 1 4 GLU H 3.000 . 3.600 2.552 1.930 3.517 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 ARG QG 1 4 GLU H 4.000 . 5.500 3.698 1.983 4.794 . 0 0 "[ . 1 . 2 .]" 1
8 1 4 GLU H 1 5 PHE HA 4.000 . 7.000 5.205 4.530 5.984 . 0 0 "[ . 1 . 2 .]" 1
9 1 4 GLU H 1 5 PHE QB 4.000 . 7.000 5.160 4.003 6.070 . 0 0 "[ . 1 . 2 .]" 1
10 1 4 GLU H 1 5 PHE QD 4.000 . 7.000 5.055 3.215 6.480 . 0 0 "[ . 1 . 2 .]" 1
11 1 4 GLU HA 1 5 PHE H 2.200 . 2.700 2.301 2.139 2.553 . 0 0 "[ . 1 . 2 .]" 1
12 1 4 GLU HA 1 5 PHE QB 4.000 . 7.000 4.419 4.171 4.746 . 0 0 "[ . 1 . 2 .]" 1
13 1 4 GLU HA 1 5 PHE QD 4.000 . 7.000 4.155 3.648 4.682 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 GLU HA 1 5 PHE QE 4.000 . 7.000 5.187 4.183 5.891 . 0 0 "[ . 1 . 2 .]" 1
15 1 4 GLU HA 1 7 GLU QG 4.000 . 7.000 6.547 5.447 7.013 0.013 14 0 "[ . 1 . 2 .]" 1
16 1 4 GLU QB 1 5 PHE H 4.000 . 7.000 3.274 2.132 4.015 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 GLU QB 1 5 PHE HA 4.000 . 7.000 4.332 3.722 5.462 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 GLU QB 1 5 PHE QD 4.000 . 7.000 4.876 2.728 5.784 . 0 0 "[ . 1 . 2 .]" 1
19 1 4 GLU QB 1 5 PHE QE 4.000 . 7.000 5.811 2.773 6.912 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 GLU QG 1 5 PHE H 4.000 . 5.500 3.398 2.136 4.334 . 0 0 "[ . 1 . 2 .]" 1
21 1 5 PHE HA 1 6 ASN H 2.200 . 2.700 2.625 2.464 2.684 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 PHE HA 1 7 GLU H 4.000 . 7.000 5.497 4.245 6.157 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 PHE HA 1 7 GLU QG 4.000 . 7.000 6.537 4.100 7.007 0.007 4 0 "[ . 1 . 2 .]" 1
24 1 5 PHE QB 1 6 ASN H 3.000 . 3.600 2.001 1.922 2.237 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 PHE QB 1 6 ASN HA 4.000 . 5.500 4.416 4.036 4.566 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 PHE QB 1 6 ASN QD 4.000 . 7.000 4.878 2.992 5.928 . 0 0 "[ . 1 . 2 .]" 1
27 1 5 PHE QB 1 11 LEU QD 4.000 . 7.000 6.943 6.471 7.062 0.062 24 0 "[ . 1 . 2 .]" 1
28 1 5 PHE QD 1 6 ASN H 3.000 . 3.600 2.695 2.331 3.610 0.010 24 0 "[ . 1 . 2 .]" 1
29 1 5 PHE QD 1 6 ASN HA 3.000 . 3.600 3.602 3.361 3.659 0.059 13 0 "[ . 1 . 2 .]" 1
30 1 5 PHE QD 1 6 ASN QB 4.000 . 7.000 3.760 2.968 5.036 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 PHE QD 1 7 GLU H 4.000 . 7.000 3.477 2.354 3.953 . 0 0 "[ . 1 . 2 .]" 1
32 1 5 PHE QD 1 7 GLU HA 4.000 . 7.000 3.382 2.858 5.121 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 PHE QD 1 7 GLU QB 4.000 . 7.000 4.540 4.011 5.057 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 PHE QD 1 7 GLU QG 4.000 . 7.000 3.855 2.531 4.908 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 PHE QD 1 11 LEU QD 4.000 . 7.000 6.462 5.757 7.007 0.007 11 0 "[ . 1 . 2 .]" 1
36 1 5 PHE QE 1 6 ASN H 4.000 . 7.000 5.007 4.675 5.836 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 PHE QE 1 6 ASN HA 4.000 . 7.000 5.331 4.943 5.581 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 PHE QE 1 6 ASN QB 4.000 . 7.000 5.378 4.429 6.922 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 PHE QE 1 7 GLU HA 4.000 . 7.000 2.781 1.968 6.669 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 PHE QE 1 7 GLU QB 4.000 . 7.000 4.251 3.300 6.106 . 0 0 "[ . 1 . 2 .]" 1
41 1 5 PHE QE 1 7 GLU QG 4.000 . 7.000 2.819 1.903 4.658 . 0 0 "[ . 1 . 2 .]" 1
42 1 5 PHE QE 1 9 ARG QG 4.000 . 7.000 6.374 2.083 7.027 0.027 14 0 "[ . 1 . 2 .]" 1
43 1 6 ASN H 1 7 GLU H 4.000 . 7.000 4.139 2.349 4.537 . 0 0 "[ . 1 . 2 .]" 1
44 1 6 ASN H 1 9 ARG QB 4.000 . 7.000 5.146 4.237 5.863 . 0 0 "[ . 1 . 2 .]" 1
45 1 6 ASN HA 1 7 GLU H 2.200 . 2.700 2.228 2.141 2.812 0.112 24 0 "[ . 1 . 2 .]" 1
46 1 6 ASN HA 1 7 GLU QG 4.000 . 5.500 5.001 3.866 5.521 0.021 13 0 "[ . 1 . 2 .]" 1
47 1 6 ASN HA 1 9 ARG QB 3.000 . 3.600 3.638 3.441 3.683 0.083 13 0 "[ . 1 . 2 .]" 1
48 1 6 ASN QB 1 7 GLU H 3.000 . 3.600 3.586 3.297 3.748 0.148 25 0 "[ . 1 . 2 .]" 1
49 1 6 ASN QB 1 7 GLU HA 4.000 . 7.000 4.555 4.224 4.728 . 0 0 "[ . 1 . 2 .]" 1
50 1 6 ASN QB 1 8 ASN H 4.000 . 7.000 4.183 2.773 5.502 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 ASN QB 1 9 ARG H 4.000 . 7.000 3.358 2.059 6.460 . 0 0 "[ . 1 . 2 .]" 1
52 1 6 ASN QB 1 9 ARG QB 4.000 . 7.000 2.163 1.779 5.443 0.021 6 0 "[ . 1 . 2 .]" 1
53 1 6 ASN QD 1 7 GLU H 4.000 . 7.000 5.024 2.604 5.878 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 ASN QD 1 9 ARG H 4.000 . 7.000 5.248 4.344 6.229 . 0 0 "[ . 1 . 2 .]" 1
55 1 6 ASN QD 1 9 ARG HA 4.000 . 7.000 5.799 4.471 7.003 0.003 11 0 "[ . 1 . 2 .]" 1
56 1 6 ASN QD 1 9 ARG QB 4.000 . 7.000 3.311 2.282 4.711 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 ASN QD 1 9 ARG QG 4.000 . 7.000 4.280 2.135 5.824 . 0 0 "[ . 1 . 2 .]" 1
58 1 7 GLU H 1 9 ARG QG 4.000 . 7.000 4.086 2.962 5.710 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 GLU H 1 10 TYR QD 4.000 . 7.000 5.142 4.470 6.068 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 GLU HA 1 8 ASN H 3.000 . 3.600 2.570 2.126 3.550 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 GLU HA 1 8 ASN HA 4.000 . 7.000 4.445 4.349 4.590 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 GLU HA 1 8 ASN QB 4.000 . 5.500 4.644 4.154 5.331 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 GLU HA 1 10 TYR QB 4.000 . 7.000 6.349 4.938 7.029 0.029 22 0 "[ . 1 . 2 .]" 1
64 1 7 GLU QB 1 8 ASN H 4.000 . 5.500 3.542 2.390 3.964 . 0 0 "[ . 1 . 2 .]" 1
65 1 7 GLU QB 1 8 ASN HA 4.000 . 5.500 4.982 4.250 5.369 . 0 0 "[ . 1 . 2 .]" 1
66 1 7 GLU QB 1 8 ASN QB 4.000 . 7.000 3.833 3.179 4.457 . 0 0 "[ . 1 . 2 .]" 1
67 1 7 GLU QB 1 10 TYR QD 4.000 . 7.000 5.855 5.136 6.635 . 0 0 "[ . 1 . 2 .]" 1
68 1 7 GLU QB 1 10 TYR QE 4.000 . 7.000 5.565 3.712 6.522 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 GLU QG 1 8 ASN H 4.000 . 7.000 3.796 2.151 4.565 . 0 0 "[ . 1 . 2 .]" 1
70 1 7 GLU QG 1 8 ASN QB 4.000 . 7.000 4.758 3.105 5.687 . 0 0 "[ . 1 . 2 .]" 1
71 1 7 GLU QG 1 11 LEU QD 4.000 . 7.000 6.890 5.490 7.031 0.031 13 0 "[ . 1 . 2 .]" 1
72 1 8 ASN H 1 9 ARG QB 4.000 . 5.500 4.389 3.543 4.905 . 0 0 "[ . 1 . 2 .]" 1
73 1 8 ASN H 1 10 TYR H 4.000 . 5.500 4.457 3.804 4.933 . 0 0 "[ . 1 . 2 .]" 1
74 1 8 ASN H 1 11 LEU QD 4.000 . 7.000 4.992 4.390 6.569 . 0 0 "[ . 1 . 2 .]" 1
75 1 8 ASN HA 1 9 ARG H 2.200 . 2.700 2.441 2.190 2.802 0.102 25 0 "[ . 1 . 2 .]" 1
76 1 8 ASN HA 1 9 ARG QG 4.000 . 7.000 4.441 3.921 5.690 . 0 0 "[ . 1 . 2 .]" 1
77 1 8 ASN HA 1 10 TYR H 4.000 . 5.500 4.554 4.309 5.079 . 0 0 "[ . 1 . 2 .]" 1
78 1 8 ASN HA 1 10 TYR QD 4.000 . 5.500 3.661 3.388 4.127 . 0 0 "[ . 1 . 2 .]" 1
79 1 8 ASN HA 1 10 TYR QE 4.000 . 7.000 2.826 2.411 3.657 . 0 0 "[ . 1 . 2 .]" 1
80 1 8 ASN HA 1 11 LEU H 4.000 . 5.500 4.393 4.096 5.515 0.015 22 0 "[ . 1 . 2 .]" 1
81 1 8 ASN HA 1 11 LEU QB 4.000 . 7.000 5.750 4.841 6.098 . 0 0 "[ . 1 . 2 .]" 1
82 1 8 ASN HA 1 11 LEU QD 4.000 . 7.000 3.744 2.801 4.598 . 0 0 "[ . 1 . 2 .]" 1
83 1 8 ASN QB 1 9 ARG H 3.000 . 3.600 3.759 3.662 3.822 0.222 14 0 "[ . 1 . 2 .]" 1
84 1 8 ASN QB 1 9 ARG QB 4.000 . 5.500 4.790 4.168 5.067 . 0 0 "[ . 1 . 2 .]" 1
85 1 8 ASN QB 1 10 TYR H 4.000 . 7.000 5.638 5.428 5.855 . 0 0 "[ . 1 . 2 .]" 1
86 1 8 ASN QB 1 10 TYR QE 4.000 . 7.000 4.686 4.338 5.374 . 0 0 "[ . 1 . 2 .]" 1
87 1 8 ASN QB 1 11 LEU H 4.000 . 7.000 5.870 5.557 7.034 0.034 22 0 "[ . 1 . 2 .]" 1
88 1 8 ASN QB 1 11 LEU QB 4.000 . 7.000 6.959 6.420 7.073 0.073 7 0 "[ . 1 . 2 .]" 1
89 1 8 ASN QB 1 11 LEU QD 4.000 . 5.500 4.735 4.031 5.508 0.008 12 0 "[ . 1 . 2 .]" 1
90 1 8 ASN QB 1 12 THR MG 4.000 . 7.000 2.306 1.896 3.443 . 0 0 "[ . 1 . 2 .]" 1
91 1 8 ASN QD 1 9 ARG H 4.000 . 7.000 4.678 4.247 5.230 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 ASN QD 1 9 ARG HA 4.000 . 7.000 6.241 5.482 6.487 . 0 0 "[ . 1 . 2 .]" 1
93 1 8 ASN QD 1 10 TYR H 4.000 . 7.000 6.561 5.849 6.999 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 ASN QD 1 11 LEU QB 4.000 . 7.000 6.691 5.667 7.007 0.007 13 0 "[ . 1 . 2 .]" 1
95 1 8 ASN QD 1 11 LEU QD 4.000 . 7.000 4.238 3.409 5.460 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 ASN QD 1 12 THR MG 4.000 . 7.000 3.853 2.984 4.955 . 0 0 "[ . 1 . 2 .]" 1
97 1 9 ARG H 1 10 TYR H 2.200 . 2.700 2.240 1.904 2.762 0.062 24 0 "[ . 1 . 2 .]" 1
98 1 9 ARG H 1 10 TYR HA 4.000 . 7.000 4.648 4.539 4.836 . 0 0 "[ . 1 . 2 .]" 1
99 1 9 ARG H 1 10 TYR QB 4.000 . 7.000 4.166 3.962 4.640 . 0 0 "[ . 1 . 2 .]" 1
100 1 9 ARG H 1 10 TYR QD 4.000 . 5.500 2.037 1.822 2.523 . 0 0 "[ . 1 . 2 .]" 1
101 1 9 ARG H 1 10 TYR QE 4.000 . 7.000 3.105 2.720 3.367 . 0 0 "[ . 1 . 2 .]" 1
102 1 9 ARG H 1 11 LEU QD 4.000 . 7.000 4.031 2.560 5.284 . 0 0 "[ . 1 . 2 .]" 1
103 1 9 ARG H 1 12 THR HB 4.000 . 7.000 3.004 2.042 3.847 . 0 0 "[ . 1 . 2 .]" 1
104 1 9 ARG HA 1 10 TYR H 3.000 . 3.600 3.535 3.509 3.555 . 0 0 "[ . 1 . 2 .]" 1
105 1 9 ARG HA 1 10 TYR QD 4.000 . 5.500 4.444 4.236 4.607 . 0 0 "[ . 1 . 2 .]" 1
106 1 9 ARG HA 1 12 THR HB 3.000 . 3.600 2.589 1.991 3.602 0.002 7 0 "[ . 1 . 2 .]" 1
107 1 9 ARG HA 1 12 THR MG 4.000 . 7.000 3.449 3.144 3.744 . 0 0 "[ . 1 . 2 .]" 1
108 1 9 ARG QB 1 10 TYR H 2.200 . 2.700 2.275 1.960 2.706 0.006 8 0 "[ . 1 . 2 .]" 1
109 1 9 ARG QB 1 10 TYR HA 4.000 . 7.000 3.868 3.623 4.576 . 0 0 "[ . 1 . 2 .]" 1
110 1 9 ARG QB 1 10 TYR QD 3.000 . 3.600 3.485 2.843 3.702 0.102 22 0 "[ . 1 . 2 .]" 1
111 1 9 ARG QB 1 10 TYR QE 4.000 . 7.000 5.205 4.330 5.487 . 0 0 "[ . 1 . 2 .]" 1
112 1 9 ARG QG 1 10 TYR H 4.000 . 7.000 3.514 1.997 3.989 . 0 0 "[ . 1 . 2 .]" 1
113 1 9 ARG QG 1 10 TYR HA 4.000 . 7.000 5.212 2.804 5.738 . 0 0 "[ . 1 . 2 .]" 1
114 1 9 ARG QG 1 10 TYR QD 4.000 . 7.000 4.319 3.550 5.190 . 0 0 "[ . 1 . 2 .]" 1
115 1 9 ARG QG 1 10 TYR QE 4.000 . 5.500 5.528 5.504 5.588 0.088 24 0 "[ . 1 . 2 .]" 1
116 1 9 ARG QG 1 13 GLU QG 4.000 . 7.000 4.142 3.053 5.448 . 0 0 "[ . 1 . 2 .]" 1
117 1 10 TYR HA 1 11 LEU H 3.000 . 3.600 3.541 3.414 3.575 . 0 0 "[ . 1 . 2 .]" 1
118 1 10 TYR HA 1 11 LEU QB 4.000 . 7.000 4.864 4.742 5.092 . 0 0 "[ . 1 . 2 .]" 1
119 1 10 TYR HA 1 11 LEU QD 4.000 . 7.000 5.299 4.758 5.750 . 0 0 "[ . 1 . 2 .]" 1
120 1 10 TYR HA 1 12 THR MG 4.000 . 7.000 6.979 6.185 7.044 0.044 15 0 "[ . 1 . 2 .]" 1
121 1 10 TYR HA 1 13 GLU H 4.000 . 7.000 6.050 5.066 6.480 . 0 0 "[ . 1 . 2 .]" 1
122 1 10 TYR HA 1 13 GLU QB 4.000 . 7.000 5.969 4.849 6.829 . 0 0 "[ . 1 . 2 .]" 1
123 1 10 TYR HA 1 13 GLU QG 4.000 . 7.000 6.629 5.229 7.008 0.008 11 0 "[ . 1 . 2 .]" 1
124 1 10 TYR HA 1 14 ARG H 4.000 . 7.000 5.541 4.541 6.039 . 0 0 "[ . 1 . 2 .]" 1
125 1 10 TYR QB 1 11 LEU H 3.000 . 3.600 3.261 2.096 3.665 0.065 23 0 "[ . 1 . 2 .]" 1
126 1 10 TYR QD 1 11 LEU H 3.000 . 3.600 2.552 1.753 2.732 0.047 23 0 "[ . 1 . 2 .]" 1
127 1 10 TYR QD 1 11 LEU HA 4.000 . 5.500 4.393 4.166 4.499 . 0 0 "[ . 1 . 2 .]" 1
128 1 10 TYR QD 1 11 LEU QB 2.200 . 2.700 2.719 2.625 2.823 0.123 22 0 "[ . 1 . 2 .]" 1
129 1 10 TYR QD 1 11 LEU QD 3.000 . 3.600 3.260 2.968 3.636 0.036 13 0 "[ . 1 . 2 .]" 1
130 1 10 TYR QD 1 12 THR MG 4.000 . 7.000 5.632 4.975 5.895 . 0 0 "[ . 1 . 2 .]" 1
131 1 10 TYR QD 1 13 GLU QG 4.000 . 7.000 6.566 5.796 6.997 . 0 0 "[ . 1 . 2 .]" 1
132 1 10 TYR QD 1 14 ARG QB 4.000 . 7.000 5.750 5.153 6.399 . 0 0 "[ . 1 . 2 .]" 1
133 1 10 TYR QE 1 11 LEU H 4.000 . 7.000 3.488 3.383 3.693 . 0 0 "[ . 1 . 2 .]" 1
134 1 10 TYR QE 1 11 LEU QB 4.000 . 7.000 2.836 2.547 3.496 . 0 0 "[ . 1 . 2 .]" 1
135 1 10 TYR QE 1 11 LEU QD 4.000 . 5.500 2.464 1.907 3.496 . 0 0 "[ . 1 . 2 .]" 1
136 1 10 TYR QE 1 12 THR HA 4.000 . 5.500 5.551 5.523 5.593 0.093 24 0 "[ . 1 . 2 .]" 1
137 1 10 TYR QE 1 12 THR MG 4.000 . 7.000 5.522 5.117 6.253 . 0 0 "[ . 1 . 2 .]" 1
138 1 11 LEU H 1 12 THR HA 4.000 . 7.000 4.527 4.389 5.240 . 0 0 "[ . 1 . 2 .]" 1
139 1 11 LEU H 1 12 THR MG 4.000 . 7.000 5.183 4.986 5.923 . 0 0 "[ . 1 . 2 .]" 1
140 1 11 LEU QB 1 12 THR H 3.000 . 3.600 3.417 2.836 3.639 0.039 24 0 "[ . 1 . 2 .]" 1
141 1 11 LEU QD 1 12 THR H 4.000 . 7.000 2.363 1.854 3.281 . 0 0 "[ . 1 . 2 .]" 1
142 1 11 LEU QD 1 13 GLU QB 4.000 . 7.000 5.757 5.086 6.617 . 0 0 "[ . 1 . 2 .]" 1
143 1 11 LEU QD 1 13 GLU QG 4.000 . 7.000 5.720 5.276 6.223 . 0 0 "[ . 1 . 2 .]" 1
144 1 11 LEU QD 1 15 ARG QD 4.000 . 7.000 2.227 1.814 3.354 . 0 0 "[ . 1 . 2 .]" 1
145 1 11 LEU QD 1 16 ARG H 4.000 . 7.000 4.370 3.918 5.025 . 0 0 "[ . 1 . 2 .]" 1
146 1 11 LEU QD 1 16 ARG HA 4.000 . 5.500 5.386 4.966 5.540 0.040 4 0 "[ . 1 . 2 .]" 1
147 1 11 LEU QD 1 16 ARG QG 4.000 . 5.500 4.708 3.943 5.523 0.023 11 0 "[ . 1 . 2 .]" 1
148 1 11 LEU QD 1 34 PHE QD 3.000 . 3.600 3.606 3.531 3.628 0.028 3 0 "[ . 1 . 2 .]" 1
149 1 11 LEU QD 1 34 PHE QE 3.000 . 3.600 2.231 1.928 2.470 . 0 0 "[ . 1 . 2 .]" 1
150 1 11 LEU QD 1 34 PHE HZ 3.000 . 3.600 3.418 3.126 3.610 0.010 20 0 "[ . 1 . 2 .]" 1
151 1 12 THR H 1 13 GLU H 3.000 . 3.600 3.277 2.834 3.522 . 0 0 "[ . 1 . 2 .]" 1
152 1 12 THR H 1 13 GLU QB 4.000 . 7.000 5.117 4.611 5.437 . 0 0 "[ . 1 . 2 .]" 1
153 1 12 THR HA 1 13 GLU H 3.000 . 3.600 3.543 3.508 3.576 . 0 0 "[ . 1 . 2 .]" 1
154 1 12 THR HA 1 14 ARG H 4.000 . 7.000 4.626 4.364 5.055 . 0 0 "[ . 1 . 2 .]" 1
155 1 12 THR HB 1 13 GLU H 2.200 . 2.700 2.161 1.959 2.687 . 0 0 "[ . 1 . 2 .]" 1
156 1 12 THR HB 1 13 GLU QB 4.000 . 7.000 4.325 4.027 4.526 . 0 0 "[ . 1 . 2 .]" 1
157 1 12 THR HB 1 13 GLU QG 4.000 . 5.500 3.391 2.988 4.180 . 0 0 "[ . 1 . 2 .]" 1
158 1 12 THR HB 1 14 ARG H 4.000 . 5.500 4.475 4.031 5.333 . 0 0 "[ . 1 . 2 .]" 1
159 1 12 THR HB 1 15 ARG H 4.000 . 7.000 5.557 5.290 5.722 . 0 0 "[ . 1 . 2 .]" 1
160 1 12 THR MG 1 13 GLU H 3.000 . 3.600 2.288 1.946 3.214 . 0 0 "[ . 1 . 2 .]" 1
161 1 12 THR MG 1 13 GLU QB 4.000 . 7.000 3.780 3.466 4.457 . 0 0 "[ . 1 . 2 .]" 1
162 1 12 THR MG 1 13 GLU QG 4.000 . 7.000 2.340 1.924 3.457 . 0 0 "[ . 1 . 2 .]" 1
163 1 12 THR MG 1 15 ARG QD 4.000 . 7.000 6.726 6.141 7.007 0.007 9 0 "[ . 1 . 2 .]" 1
164 1 12 THR MG 1 16 ARG H 4.000 . 7.000 4.369 4.039 4.663 . 0 0 "[ . 1 . 2 .]" 1
165 1 12 THR MG 1 17 GLN H 4.000 . 7.000 6.029 5.522 6.357 . 0 0 "[ . 1 . 2 .]" 1
166 1 12 THR MG 1 34 PHE QD 4.000 . 7.000 4.507 3.461 5.134 . 0 0 "[ . 1 . 2 .]" 1
167 1 12 THR MG 1 34 PHE QE 4.000 . 5.500 4.532 3.492 4.957 . 0 0 "[ . 1 . 2 .]" 1
168 1 12 THR MG 1 34 PHE HZ 4.000 . 5.500 5.189 3.908 5.515 0.015 15 0 "[ . 1 . 2 .]" 1
169 1 13 GLU HA 1 14 ARG H 4.000 . 7.000 3.532 3.508 3.573 . 0 0 "[ . 1 . 2 .]" 1
170 1 13 GLU HA 1 16 ARG H 3.000 . 3.600 3.469 3.292 3.618 0.018 20 0 "[ . 1 . 2 .]" 1
171 1 13 GLU QB 1 14 ARG H 2.200 . 2.700 2.651 2.424 2.721 0.021 15 0 "[ . 1 . 2 .]" 1
172 1 13 GLU QB 1 14 ARG QB 4.000 . 7.000 4.057 3.777 4.455 . 0 0 "[ . 1 . 2 .]" 1
173 1 13 GLU QB 1 15 ARG H 4.000 . 7.000 4.886 4.555 4.986 . 0 0 "[ . 1 . 2 .]" 1
174 1 13 GLU QB 1 17 GLN QE 4.000 . 7.000 5.979 3.187 7.002 0.002 13 0 "[ . 1 . 2 .]" 1
175 1 13 GLU QG 1 14 ARG H 4.000 . 5.500 4.067 3.750 4.338 . 0 0 "[ . 1 . 2 .]" 1
176 1 13 GLU QG 1 16 ARG QB 4.000 . 7.000 4.111 3.711 4.702 . 0 0 "[ . 1 . 2 .]" 1
177 1 14 ARG H 1 15 ARG H 2.200 . 2.700 2.720 2.653 2.755 0.055 17 0 "[ . 1 . 2 .]" 1
178 1 14 ARG H 1 15 ARG QG 4.000 . 7.000 5.858 4.525 6.400 . 0 0 "[ . 1 . 2 .]" 1
179 1 14 ARG H 1 16 ARG H 4.000 . 5.500 3.794 3.724 3.905 . 0 0 "[ . 1 . 2 .]" 1
180 1 14 ARG HA 1 15 ARG H 3.000 . 3.600 3.551 3.530 3.564 . 0 0 "[ . 1 . 2 .]" 1
181 1 14 ARG HA 1 18 GLN QE 4.000 . 7.000 5.721 4.203 7.001 0.001 11 0 "[ . 1 . 2 .]" 1
182 1 14 ARG QB 1 15 ARG H 2.200 . 2.700 2.480 2.372 2.678 . 0 0 "[ . 1 . 2 .]" 1
183 1 14 ARG QB 1 16 ARG H 4.000 . 7.000 4.405 4.347 4.496 . 0 0 "[ . 1 . 2 .]" 1
184 1 14 ARG QB 1 17 GLN H 4.000 . 7.000 5.331 5.203 5.459 . 0 0 "[ . 1 . 2 .]" 1
185 1 14 ARG QB 1 18 GLN QB 4.000 . 7.000 5.691 5.053 6.437 . 0 0 "[ . 1 . 2 .]" 1
186 1 14 ARG QB 1 18 GLN QE 4.000 . 7.000 5.196 3.725 6.370 . 0 0 "[ . 1 . 2 .]" 1
187 1 14 ARG QB 1 18 GLN QG 4.000 . 7.000 5.342 4.312 6.717 . 0 0 "[ . 1 . 2 .]" 1
188 1 14 ARG QD 1 18 GLN QG 4.000 . 7.000 5.525 3.076 6.996 . 0 0 "[ . 1 . 2 .]" 1
189 1 14 ARG HE 1 15 ARG H 4.000 . 7.000 5.736 4.162 7.009 0.009 18 0 "[ . 1 . 2 .]" 1
190 1 14 ARG HE 1 17 GLN QB 4.000 . 7.000 5.910 4.805 6.998 . 0 0 "[ . 1 . 2 .]" 1
191 1 14 ARG QG 1 15 ARG H 4.000 . 5.500 4.177 3.481 4.435 . 0 0 "[ . 1 . 2 .]" 1
192 1 14 ARG QG 1 18 GLN QE 4.000 . 7.000 5.164 3.110 6.998 . 0 0 "[ . 1 . 2 .]" 1
193 1 15 ARG H 1 16 ARG H 2.200 . 2.700 2.427 2.398 2.514 . 0 0 "[ . 1 . 2 .]" 1
194 1 15 ARG H 1 16 ARG HA 4.000 . 5.500 5.002 4.965 5.069 . 0 0 "[ . 1 . 2 .]" 1
195 1 15 ARG H 1 17 GLN H 4.000 . 7.000 4.362 4.203 4.468 . 0 0 "[ . 1 . 2 .]" 1
196 1 15 ARG H 1 18 GLN QB 4.000 . 7.000 5.380 4.896 5.801 . 0 0 "[ . 1 . 2 .]" 1
197 1 15 ARG H 1 18 GLN QG 4.000 . 7.000 5.718 4.870 6.984 . 0 0 "[ . 1 . 2 .]" 1
198 1 15 ARG H 1 19 LEU H 4.000 . 7.000 5.782 5.660 6.000 . 0 0 "[ . 1 . 2 .]" 1
199 1 15 ARG HA 1 16 ARG H 3.000 . 3.600 3.462 3.449 3.493 . 0 0 "[ . 1 . 2 .]" 1
200 1 15 ARG HA 1 18 GLN QB 4.000 . 7.000 2.796 2.433 3.144 . 0 0 "[ . 1 . 2 .]" 1
201 1 15 ARG HA 1 18 GLN QE 4.000 . 5.500 4.263 2.395 5.462 . 0 0 "[ . 1 . 2 .]" 1
202 1 15 ARG HA 1 19 LEU QD 4.000 . 7.000 3.983 3.245 4.570 . 0 0 "[ . 1 . 2 .]" 1
203 1 15 ARG QB 1 18 GLN QE 4.000 . 7.000 5.731 4.173 7.002 0.002 6 0 "[ . 1 . 2 .]" 1
204 1 15 ARG QB 1 19 LEU QD 4.000 . 7.000 2.444 1.846 3.360 . 0 0 "[ . 1 . 2 .]" 1
205 1 15 ARG QD 1 18 GLN QB 4.000 . 7.000 4.860 3.144 5.649 . 0 0 "[ . 1 . 2 .]" 1
206 1 15 ARG QD 1 19 LEU H 4.000 . 7.000 5.414 3.992 6.182 . 0 0 "[ . 1 . 2 .]" 1
207 1 15 ARG QD 1 19 LEU QD 3.000 . 3.600 2.728 1.998 3.608 0.008 12 0 "[ . 1 . 2 .]" 1
208 1 16 ARG H 1 17 GLN H 2.200 . 2.700 2.720 2.705 2.743 0.043 10 0 "[ . 1 . 2 .]" 1
209 1 16 ARG H 1 17 GLN QB 4.000 . 5.500 4.504 4.382 4.915 . 0 0 "[ . 1 . 2 .]" 1
210 1 16 ARG H 1 17 GLN QG 4.000 . 7.000 5.642 4.034 6.422 . 0 0 "[ . 1 . 2 .]" 1
211 1 16 ARG H 1 18 GLN H 4.000 . 7.000 4.224 4.039 4.359 . 0 0 "[ . 1 . 2 .]" 1
212 1 16 ARG H 1 19 LEU QB 4.000 . 7.000 4.469 4.371 4.600 . 0 0 "[ . 1 . 2 .]" 1
213 1 16 ARG H 1 19 LEU QD 4.000 . 7.000 4.227 3.443 4.769 . 0 0 "[ . 1 . 2 .]" 1
214 1 16 ARG H 1 30 ILE MG 4.000 . 5.500 5.065 4.604 5.504 0.004 17 0 "[ . 1 . 2 .]" 1
215 1 16 ARG H 1 34 PHE QD 4.000 . 7.000 6.353 5.860 6.843 . 0 0 "[ . 1 . 2 .]" 1
216 1 16 ARG H 1 34 PHE QE 4.000 . 5.500 4.731 4.166 5.231 . 0 0 "[ . 1 . 2 .]" 1
217 1 16 ARG H 1 34 PHE HZ 4.000 . 7.000 4.227 3.490 4.904 . 0 0 "[ . 1 . 2 .]" 1
218 1 16 ARG HA 1 17 GLN H 3.000 . 3.600 3.532 3.516 3.545 . 0 0 "[ . 1 . 2 .]" 1
219 1 16 ARG HA 1 17 GLN QB 4.000 . 5.500 5.276 5.193 5.506 0.006 18 0 "[ . 1 . 2 .]" 1
220 1 16 ARG HA 1 18 GLN H 4.000 . 7.000 4.531 4.379 4.639 . 0 0 "[ . 1 . 2 .]" 1
221 1 16 ARG HA 1 18 GLN QB 4.000 . 7.000 5.499 5.324 5.647 . 0 0 "[ . 1 . 2 .]" 1
222 1 16 ARG HA 1 19 LEU H 3.000 . 3.600 3.598 3.422 3.635 0.035 9 0 "[ . 1 . 2 .]" 1
223 1 16 ARG HA 1 19 LEU QB 4.000 . 5.500 2.565 2.395 2.724 . 0 0 "[ . 1 . 2 .]" 1
224 1 16 ARG HA 1 19 LEU QD 3.000 . 3.600 3.154 2.203 3.521 . 0 0 "[ . 1 . 2 .]" 1
225 1 16 ARG HA 1 30 ILE MG 3.000 . 3.600 3.209 2.758 3.606 0.006 17 0 "[ . 1 . 2 .]" 1
226 1 16 ARG HA 1 34 PHE QD 4.000 . 7.000 5.001 4.476 5.506 . 0 0 "[ . 1 . 2 .]" 1
227 1 16 ARG HA 1 34 PHE QE 4.000 . 7.000 3.050 2.541 3.616 . 0 0 "[ . 1 . 2 .]" 1
228 1 16 ARG HA 1 34 PHE HZ 4.000 . 7.000 3.495 2.404 4.151 . 0 0 "[ . 1 . 2 .]" 1
229 1 16 ARG QB 1 17 GLN H 2.200 . 2.700 2.659 2.554 2.717 0.017 4 0 "[ . 1 . 2 .]" 1
230 1 16 ARG QB 1 17 GLN QE 4.000 . 7.000 5.471 2.559 6.662 . 0 0 "[ . 1 . 2 .]" 1
231 1 16 ARG QB 1 19 LEU QD 4.000 . 5.500 4.675 4.009 5.032 . 0 0 "[ . 1 . 2 .]" 1
232 1 16 ARG HE 1 17 GLN HA 4.000 . 7.000 6.148 3.361 7.011 0.011 17 0 "[ . 1 . 2 .]" 1
233 1 16 ARG QG 1 17 GLN H 4.000 . 5.500 4.364 3.971 4.512 . 0 0 "[ . 1 . 2 .]" 1
234 1 16 ARG QG 1 20 SER QB 4.000 . 5.500 4.774 3.934 5.454 . 0 0 "[ . 1 . 2 .]" 1
235 1 16 ARG QG 1 27 GLU QG 4.000 . 7.000 4.387 3.002 5.932 . 0 0 "[ . 1 . 2 .]" 1
236 1 16 ARG QG 1 30 ILE HA 4.000 . 7.000 5.047 4.782 5.351 . 0 0 "[ . 1 . 2 .]" 1
237 1 16 ARG QG 1 30 ILE MD 4.000 . 7.000 3.162 2.714 3.467 . 0 0 "[ . 1 . 2 .]" 1
238 1 16 ARG QG 1 30 ILE MG 3.000 . 3.600 1.856 1.783 2.065 0.017 11 0 "[ . 1 . 2 .]" 1
239 1 17 GLN H 1 18 GLN H 2.200 . 2.700 2.643 2.531 2.708 0.008 4 0 "[ . 1 . 2 .]" 1
240 1 17 GLN H 1 19 LEU H 4.000 . 5.500 4.049 3.900 4.171 . 0 0 "[ . 1 . 2 .]" 1
241 1 17 GLN H 1 19 LEU QD 4.000 . 7.000 5.346 4.482 5.776 . 0 0 "[ . 1 . 2 .]" 1
242 1 17 GLN H 1 20 SER H 4.000 . 5.500 4.752 4.628 4.925 . 0 0 "[ . 1 . 2 .]" 1
243 1 17 GLN H 1 20 SER QB 4.000 . 5.500 5.063 4.733 5.476 . 0 0 "[ . 1 . 2 .]" 1
244 1 17 GLN HA 1 18 GLN H 3.000 . 3.600 3.539 3.520 3.555 . 0 0 "[ . 1 . 2 .]" 1
245 1 17 GLN QB 1 20 SER H 4.000 . 5.500 5.144 5.049 5.254 . 0 0 "[ . 1 . 2 .]" 1
246 1 17 GLN QE 1 18 GLN QG 4.000 . 7.000 5.190 2.797 6.591 . 0 0 "[ . 1 . 2 .]" 1
247 1 17 GLN QE 1 21 SER H 4.000 . 7.000 6.590 4.299 7.002 0.002 9 0 "[ . 1 . 2 .]" 1
248 1 17 GLN QE 1 21 SER QB 4.000 . 7.000 6.025 3.951 7.000 . 0 0 "[ . 1 . 2 .]" 1
249 1 17 GLN QG 1 20 SER H 4.000 . 7.000 5.575 5.176 6.066 . 0 0 "[ . 1 . 2 .]" 1
250 1 18 GLN H 1 19 LEU H 2.200 . 2.700 2.526 2.469 2.569 . 0 0 "[ . 1 . 2 .]" 1
251 1 18 GLN H 1 19 LEU QD 4.000 . 7.000 4.892 4.059 5.197 . 0 0 "[ . 1 . 2 .]" 1
252 1 18 GLN H 1 19 LEU HG 4.000 . 5.500 5.150 4.777 5.516 0.016 7 0 "[ . 1 . 2 .]" 1
253 1 18 GLN HA 1 19 LEU H 3.000 . 3.600 3.534 3.499 3.555 . 0 0 "[ . 1 . 2 .]" 1
254 1 18 GLN HA 1 19 LEU QD 4.000 . 7.000 5.525 5.224 5.739 . 0 0 "[ . 1 . 2 .]" 1
255 1 18 GLN HA 1 20 SER H 4.000 . 7.000 4.364 4.268 4.466 . 0 0 "[ . 1 . 2 .]" 1
256 1 18 GLN HA 1 21 SER H 3.000 . 3.600 3.618 3.608 3.630 0.030 5 0 "[ . 1 . 2 .]" 1
257 1 18 GLN QB 1 19 LEU H 2.200 . 2.700 2.639 2.530 2.720 0.020 15 0 "[ . 1 . 2 .]" 1
258 1 18 GLN QB 1 19 LEU QB 4.000 . 7.000 4.256 4.103 4.373 . 0 0 "[ . 1 . 2 .]" 1
259 1 18 GLN QB 1 19 LEU QD 4.000 . 7.000 3.972 3.452 4.229 . 0 0 "[ . 1 . 2 .]" 1
260 1 18 GLN QB 1 19 LEU HG 4.000 . 5.500 3.896 3.627 4.155 . 0 0 "[ . 1 . 2 .]" 1
261 1 18 GLN QE 1 19 LEU QD 4.000 . 7.000 5.977 4.217 6.902 . 0 0 "[ . 1 . 2 .]" 1
262 1 18 GLN QG 1 19 LEU H 4.000 . 7.000 4.119 3.791 4.430 . 0 0 "[ . 1 . 2 .]" 1
263 1 18 GLN QG 1 19 LEU QB 4.000 . 7.000 5.688 5.338 6.014 . 0 0 "[ . 1 . 2 .]" 1
264 1 18 GLN QG 1 19 LEU HG 4.000 . 7.000 5.798 5.263 6.276 . 0 0 "[ . 1 . 2 .]" 1
265 1 19 LEU H 1 20 SER H 2.200 . 2.700 2.653 2.622 2.695 . 0 0 "[ . 1 . 2 .]" 1
266 1 19 LEU H 1 20 SER HA 4.000 . 7.000 5.258 5.226 5.288 . 0 0 "[ . 1 . 2 .]" 1
267 1 19 LEU H 1 21 SER QB 4.000 . 7.000 5.461 5.125 6.248 . 0 0 "[ . 1 . 2 .]" 1
268 1 19 LEU H 1 22 GLU QB 4.000 . 5.500 4.446 4.319 4.659 . 0 0 "[ . 1 . 2 .]" 1
269 1 19 LEU H 1 23 LEU QD 4.000 . 7.000 4.891 4.440 5.634 . 0 0 "[ . 1 . 2 .]" 1
270 1 19 LEU H 1 30 ILE MD 4.000 . 7.000 4.555 4.043 4.793 . 0 0 "[ . 1 . 2 .]" 1
271 1 19 LEU H 1 30 ILE MG 4.000 . 5.500 5.797 5.408 6.110 0.610 4 1 "[ +. 1 . 2 .]" 1
272 1 19 LEU HA 1 20 SER H 3.000 . 3.600 3.525 3.515 3.534 . 0 0 "[ . 1 . 2 .]" 1
273 1 19 LEU HA 1 21 SER H 4.000 . 5.500 4.689 4.548 4.784 . 0 0 "[ . 1 . 2 .]" 1
274 1 19 LEU HA 1 22 GLU H 4.000 . 7.000 3.571 3.415 3.686 . 0 0 "[ . 1 . 2 .]" 1
275 1 19 LEU HA 1 23 LEU H 4.000 . 5.500 3.445 3.003 3.597 . 0 0 "[ . 1 . 2 .]" 1
276 1 19 LEU HA 1 23 LEU QD 4.000 . 5.500 2.810 2.276 3.590 . 0 0 "[ . 1 . 2 .]" 1
277 1 19 LEU HA 1 30 ILE HG13 4.000 . 7.000 7.024 7.010 7.047 0.047 22 0 "[ . 1 . 2 .]" 1
278 1 19 LEU HA 1 33 TRP HE1 4.000 . 7.000 6.563 5.927 7.014 0.014 1 0 "[ . 1 . 2 .]" 1
279 1 19 LEU QB 1 20 SER H 2.200 . 2.700 2.694 2.628 2.716 0.016 12 0 "[ . 1 . 2 .]" 1
280 1 19 LEU QB 1 30 ILE MD 4.000 . 7.000 2.399 2.054 2.564 . 0 0 "[ . 1 . 2 .]" 1
281 1 19 LEU QD 1 20 SER H 4.000 . 5.500 4.138 4.050 4.177 . 0 0 "[ . 1 . 2 .]" 1
282 1 19 LEU QD 1 20 SER HA 4.000 . 7.000 4.852 4.696 5.006 . 0 0 "[ . 1 . 2 .]" 1
283 1 19 LEU QD 1 20 SER QB 4.000 . 7.000 5.105 4.966 5.303 . 0 0 "[ . 1 . 2 .]" 1
284 1 19 LEU QD 1 22 GLU H 4.000 . 7.000 4.895 4.555 5.436 . 0 0 "[ . 1 . 2 .]" 1
285 1 19 LEU QD 1 22 GLU QB 4.000 . 5.500 3.415 3.039 4.228 . 0 0 "[ . 1 . 2 .]" 1
286 1 19 LEU QD 1 23 LEU H 4.000 . 7.000 4.115 3.666 4.897 . 0 0 "[ . 1 . 2 .]" 1
287 1 19 LEU QD 1 23 LEU QB 4.000 . 7.000 3.669 2.338 4.245 . 0 0 "[ . 1 . 2 .]" 1
288 1 19 LEU QD 1 23 LEU QD 4.000 . 7.000 1.863 1.792 2.171 0.008 13 0 "[ . 1 . 2 .]" 1
289 1 19 LEU QD 1 30 ILE MG 3.000 . 3.600 3.543 3.063 3.743 0.143 13 0 "[ . 1 . 2 .]" 1
290 1 19 LEU QD 1 33 TRP HD1 4.000 . 7.000 4.715 4.116 5.153 . 0 0 "[ . 1 . 2 .]" 1
291 1 19 LEU QD 1 33 TRP HE1 4.000 . 5.500 3.379 2.776 3.899 . 0 0 "[ . 1 . 2 .]" 1
292 1 19 LEU QD 1 33 TRP HE3 4.000 . 7.000 3.833 3.540 4.066 . 0 0 "[ . 1 . 2 .]" 1
293 1 19 LEU QD 1 33 TRP HH2 4.000 . 5.500 2.276 2.023 2.583 . 0 0 "[ . 1 . 2 .]" 1
294 1 19 LEU QD 1 33 TRP HZ2 4.000 . 7.000 2.296 1.885 2.607 . 0 0 "[ . 1 . 2 .]" 1
295 1 19 LEU QD 1 33 TRP HZ3 3.000 . 3.600 3.059 2.854 3.298 . 0 0 "[ . 1 . 2 .]" 1
296 1 19 LEU QD 1 34 PHE QD 4.000 . 5.500 3.842 3.667 4.044 . 0 0 "[ . 1 . 2 .]" 1
297 1 19 LEU QD 1 34 PHE QE 3.000 . 3.600 2.209 1.938 2.567 . 0 0 "[ . 1 . 2 .]" 1
298 1 19 LEU QD 1 34 PHE HZ 4.000 . 5.500 1.816 1.794 1.845 0.006 7 0 "[ . 1 . 2 .]" 1
299 1 19 LEU HG 1 20 SER H 4.000 . 5.500 4.815 4.677 4.916 . 0 0 "[ . 1 . 2 .]" 1
300 1 20 SER H 1 23 LEU QD 4.000 . 7.000 4.625 4.237 5.559 . 0 0 "[ . 1 . 2 .]" 1
301 1 20 SER H 1 25 LEU QB 4.000 . 7.000 6.565 4.885 6.985 . 0 0 "[ . 1 . 2 .]" 1
302 1 20 SER H 1 30 ILE HB 4.000 . 7.000 6.838 6.438 7.008 0.008 8 0 "[ . 1 . 2 .]" 1
303 1 20 SER H 1 30 ILE MD 3.000 . 3.600 3.289 2.910 3.506 . 0 0 "[ . 1 . 2 .]" 1
304 1 20 SER H 1 30 ILE MG 4.000 . 7.000 5.097 4.788 5.310 . 0 0 "[ . 1 . 2 .]" 1
305 1 20 SER HA 1 22 GLU H 4.000 . 7.000 4.611 4.516 4.757 . 0 0 "[ . 1 . 2 .]" 1
306 1 20 SER HA 1 25 LEU H 3.000 . 3.600 2.901 2.360 3.371 . 0 0 "[ . 1 . 2 .]" 1
307 1 20 SER HA 1 30 ILE MD 2.200 . 2.700 2.710 2.515 2.741 0.041 5 0 "[ . 1 . 2 .]" 1
308 1 20 SER HA 1 30 ILE MG 4.000 . 7.000 5.349 5.095 5.499 . 0 0 "[ . 1 . 2 .]" 1
309 1 20 SER QB 1 22 GLU H 4.000 . 5.500 4.776 4.499 5.181 . 0 0 "[ . 1 . 2 .]" 1
310 1 20 SER QB 1 23 LEU QD 4.000 . 7.000 5.251 4.904 5.909 . 0 0 "[ . 1 . 2 .]" 1
311 1 20 SER QB 1 25 LEU QB 4.000 . 7.000 5.245 4.133 5.967 . 0 0 "[ . 1 . 2 .]" 1
312 1 20 SER QB 1 26 ASN H 4.000 . 7.000 5.918 5.210 6.647 . 0 0 "[ . 1 . 2 .]" 1
313 1 20 SER QB 1 27 GLU H 4.000 . 7.000 4.605 4.181 5.160 . 0 0 "[ . 1 . 2 .]" 1
314 1 20 SER QB 1 30 ILE MD 3.000 . 3.600 3.191 2.868 3.616 0.016 25 0 "[ . 1 . 2 .]" 1
315 1 20 SER QB 1 30 ILE MG 4.000 . 5.500 4.570 4.256 5.187 . 0 0 "[ . 1 . 2 .]" 1
316 1 21 SER H 1 22 GLU H 2.200 . 2.700 2.622 2.589 2.687 . 0 0 "[ . 1 . 2 .]" 1
317 1 21 SER H 1 22 GLU QB 4.000 . 5.500 4.402 4.286 4.614 . 0 0 "[ . 1 . 2 .]" 1
318 1 21 SER H 1 22 GLU QG 4.000 . 7.000 5.661 4.391 6.342 . 0 0 "[ . 1 . 2 .]" 1
319 1 21 SER H 1 23 LEU H 4.000 . 5.500 4.314 4.213 4.438 . 0 0 "[ . 1 . 2 .]" 1
320 1 21 SER HA 1 22 GLU H 3.000 . 3.600 3.536 3.524 3.559 . 0 0 "[ . 1 . 2 .]" 1
321 1 21 SER QB 1 22 GLU H 4.000 . 5.500 2.775 2.448 3.401 . 0 0 "[ . 1 . 2 .]" 1
322 1 21 SER QB 1 22 GLU QB 4.000 . 5.500 4.172 3.713 5.022 . 0 0 "[ . 1 . 2 .]" 1
323 1 22 GLU H 1 23 LEU H 2.200 . 2.700 2.712 2.639 2.724 0.024 22 0 "[ . 1 . 2 .]" 1
324 1 22 GLU H 1 23 LEU QD 4.000 . 7.000 4.388 3.716 5.105 . 0 0 "[ . 1 . 2 .]" 1
325 1 22 GLU H 1 24 GLY H 4.000 . 5.500 3.700 3.576 3.778 . 0 0 "[ . 1 . 2 .]" 1
326 1 22 GLU H 1 25 LEU H 4.000 . 7.000 5.557 5.200 5.714 . 0 0 "[ . 1 . 2 .]" 1
327 1 22 GLU H 1 30 ILE MD 4.000 . 7.000 5.972 5.708 6.142 . 0 0 "[ . 1 . 2 .]" 1
328 1 22 GLU HA 1 23 LEU H 4.000 . 7.000 3.557 3.549 3.569 . 0 0 "[ . 1 . 2 .]" 1
329 1 22 GLU HA 1 23 LEU QD 4.000 . 5.500 4.790 3.994 5.381 . 0 0 "[ . 1 . 2 .]" 1
330 1 22 GLU QB 1 23 LEU H 2.200 . 2.700 2.466 2.284 2.622 . 0 0 "[ . 1 . 2 .]" 1
331 1 22 GLU QB 1 23 LEU HA 4.000 . 5.500 3.979 3.813 4.186 . 0 0 "[ . 1 . 2 .]" 1
332 1 22 GLU QB 1 23 LEU QB 4.000 . 7.000 3.981 3.478 4.207 . 0 0 "[ . 1 . 2 .]" 1
333 1 22 GLU QB 1 23 LEU QD 3.000 . 3.600 2.883 2.102 3.607 0.007 10 0 "[ . 1 . 2 .]" 1
334 1 22 GLU QB 1 23 LEU HG 4.000 . 5.500 3.909 2.996 5.445 . 0 0 "[ . 1 . 2 .]" 1
335 1 22 GLU QG 1 23 LEU H 4.000 . 7.000 4.061 3.539 4.442 . 0 0 "[ . 1 . 2 .]" 1
336 1 22 GLU QG 1 23 LEU HA 4.000 . 7.000 4.885 3.697 5.839 . 0 0 "[ . 1 . 2 .]" 1
337 1 22 GLU QG 1 23 LEU QD 4.000 . 7.000 3.981 2.151 5.018 . 0 0 "[ . 1 . 2 .]" 1
338 1 23 LEU H 1 24 GLY QA 4.000 . 5.500 4.292 4.278 4.328 . 0 0 "[ . 1 . 2 .]" 1
339 1 23 LEU H 1 30 ILE MD 4.000 . 7.000 5.110 4.965 5.218 . 0 0 "[ . 1 . 2 .]" 1
340 1 23 LEU HA 1 24 GLY H 3.000 . 3.600 3.428 3.380 3.441 . 0 0 "[ . 1 . 2 .]" 1
341 1 23 LEU HA 1 25 LEU H 4.000 . 5.500 4.688 4.539 4.761 . 0 0 "[ . 1 . 2 .]" 1
342 1 23 LEU QB 1 24 GLY H 3.000 . 3.600 3.060 3.003 3.204 . 0 0 "[ . 1 . 2 .]" 1
343 1 23 LEU QB 1 25 LEU H 4.000 . 5.500 2.910 2.765 3.065 . 0 0 "[ . 1 . 2 .]" 1
344 1 23 LEU QB 1 25 LEU QD 2.200 . 2.700 1.981 1.798 2.735 0.035 19 0 "[ . 1 . 2 .]" 1
345 1 23 LEU QB 1 33 TRP HE1 4.000 . 7.000 4.691 4.402 4.956 . 0 0 "[ . 1 . 2 .]" 1
346 1 23 LEU QD 1 24 GLY H 4.000 . 7.000 4.148 3.849 4.412 . 0 0 "[ . 1 . 2 .]" 1
347 1 23 LEU QD 1 25 LEU H 4.000 . 5.500 4.245 4.085 4.344 . 0 0 "[ . 1 . 2 .]" 1
348 1 23 LEU QD 1 30 ILE HA 4.000 . 7.000 5.179 4.786 5.524 . 0 0 "[ . 1 . 2 .]" 1
349 1 23 LEU QD 1 30 ILE HB 4.000 . 7.000 6.782 6.422 7.015 0.015 19 0 "[ . 1 . 2 .]" 1
350 1 23 LEU QD 1 30 ILE MG 4.000 . 7.000 5.154 4.821 5.428 . 0 0 "[ . 1 . 2 .]" 1
351 1 23 LEU QD 1 33 TRP HD1 4.000 . 7.000 3.186 2.859 3.509 . 0 0 "[ . 1 . 2 .]" 1
352 1 23 LEU QD 1 33 TRP HE1 4.000 . 5.500 2.234 1.925 2.481 . 0 0 "[ . 1 . 2 .]" 1
353 1 23 LEU QD 1 33 TRP HE3 4.000 . 7.000 5.582 5.274 5.976 . 0 0 "[ . 1 . 2 .]" 1
354 1 23 LEU QD 1 33 TRP HH2 4.000 . 7.000 4.851 4.588 5.132 . 0 0 "[ . 1 . 2 .]" 1
355 1 23 LEU QD 1 33 TRP HZ2 3.000 . 3.600 3.256 2.996 3.505 . 0 0 "[ . 1 . 2 .]" 1
356 1 23 LEU QD 1 33 TRP HZ3 4.000 . 7.000 5.814 5.510 6.203 . 0 0 "[ . 1 . 2 .]" 1
357 1 23 LEU QD 1 34 PHE QE 4.000 . 7.000 5.004 4.547 5.651 . 0 0 "[ . 1 . 2 .]" 1
358 1 23 LEU QD 1 34 PHE HZ 4.000 . 7.000 5.741 5.266 6.329 . 0 0 "[ . 1 . 2 .]" 1
359 1 23 LEU HG 1 33 TRP HE1 4.000 . 7.000 4.836 4.489 5.170 . 0 0 "[ . 1 . 2 .]" 1
360 1 24 GLY H 1 26 ASN H 4.000 . 7.000 6.990 6.917 7.021 0.021 20 0 "[ . 1 . 2 .]" 1
361 1 24 GLY QA 1 25 LEU H 3.000 . 3.600 2.812 2.771 2.886 . 0 0 "[ . 1 . 2 .]" 1
362 1 24 GLY QA 1 26 ASN H 4.000 . 7.000 5.811 5.688 5.856 . 0 0 "[ . 1 . 2 .]" 1
363 1 25 LEU H 1 26 ASN H 4.000 . 5.500 4.521 4.506 4.543 . 0 0 "[ . 1 . 2 .]" 1
364 1 25 LEU H 1 27 GLU H 4.000 . 7.000 6.860 6.730 6.927 . 0 0 "[ . 1 . 2 .]" 1
365 1 25 LEU H 1 30 ILE MG 4.000 . 5.500 7.182 6.597 7.373 1.873 4 25 [***+*************-*******] 1
366 1 25 LEU HA 1 26 ASN H 2.200 . 2.700 2.364 2.282 2.399 . 0 0 "[ . 1 . 2 .]" 1
367 1 25 LEU HA 1 26 ASN QB 4.000 . 7.000 4.128 4.014 4.497 . 0 0 "[ . 1 . 2 .]" 1
368 1 25 LEU HA 1 27 GLU H 4.000 . 7.000 6.367 6.273 6.402 . 0 0 "[ . 1 . 2 .]" 1
369 1 25 LEU HA 1 29 GLN H 4.000 . 7.000 5.907 5.719 6.102 . 0 0 "[ . 1 . 2 .]" 1
370 1 25 LEU HA 1 29 GLN QB 4.000 . 7.000 4.208 3.827 4.443 . 0 0 "[ . 1 . 2 .]" 1
371 1 25 LEU HA 1 29 GLN QG 4.000 . 7.000 4.100 3.473 4.514 . 0 0 "[ . 1 . 2 .]" 1
372 1 25 LEU QB 1 26 ASN H 2.200 . 2.700 2.484 2.398 2.718 0.018 15 0 "[ . 1 . 2 .]" 1
373 1 25 LEU QB 1 29 GLN QB 2.200 . 2.700 2.209 1.936 2.737 0.037 19 0 "[ . 1 . 2 .]" 1
374 1 25 LEU QB 1 30 ILE HA 4.000 . 5.500 4.977 3.960 5.169 . 0 0 "[ . 1 . 2 .]" 1
375 1 25 LEU QB 1 30 ILE MG 3.000 . 3.600 5.761 4.540 5.952 2.352 20 25 [*****************-*+*****] 1
376 1 25 LEU QD 1 26 ASN H 3.000 . 3.600 3.419 2.131 3.631 0.031 17 0 "[ . 1 . 2 .]" 1
377 1 25 LEU QD 1 26 ASN HA 4.000 . 7.000 4.063 3.919 4.797 . 0 0 "[ . 1 . 2 .]" 1
378 1 25 LEU QD 1 26 ASN QB 4.000 . 7.000 4.524 3.595 4.903 . 0 0 "[ . 1 . 2 .]" 1
379 1 25 LEU QD 1 26 ASN QD 4.000 . 5.500 5.378 4.667 5.533 0.033 23 0 "[ . 1 . 2 .]" 1
380 1 25 LEU QD 1 29 GLN HA 4.000 . 5.500 4.582 3.918 4.868 . 0 0 "[ . 1 . 2 .]" 1
381 1 25 LEU QD 1 29 GLN QB 3.000 . 3.600 2.430 1.792 2.688 0.008 19 0 "[ . 1 . 2 .]" 1
382 1 25 LEU QD 1 29 GLN QE 4.000 . 5.500 3.361 2.342 3.685 . 0 0 "[ . 1 . 2 .]" 1
383 1 25 LEU QD 1 29 GLN QG 3.000 . 3.600 3.465 2.092 3.626 0.026 9 0 "[ . 1 . 2 .]" 1
384 1 25 LEU QD 1 30 ILE H 4.000 . 5.500 3.668 3.492 3.964 . 0 0 "[ . 1 . 2 .]" 1
385 1 25 LEU QD 1 30 ILE HA 3.000 . 3.600 3.337 3.199 3.577 . 0 0 "[ . 1 . 2 .]" 1
386 1 25 LEU QD 1 30 ILE MG 2.200 . 2.700 3.935 3.792 4.407 1.707 15 25 [******-*******+**********] 1
387 1 25 LEU QD 1 31 LYS H 4.000 . 7.000 5.456 5.337 5.723 . 0 0 "[ . 1 . 2 .]" 1
388 1 25 LEU QD 1 33 TRP H 4.000 . 5.500 4.954 4.608 5.199 . 0 0 "[ . 1 . 2 .]" 1
389 1 25 LEU QD 1 33 TRP QB 3.000 . 3.600 3.220 2.900 3.437 . 0 0 "[ . 1 . 2 .]" 1
390 1 25 LEU QD 1 33 TRP HD1 4.000 . 5.500 2.693 2.258 2.941 . 0 0 "[ . 1 . 2 .]" 1
391 1 25 LEU QD 1 33 TRP HE1 4.000 . 5.500 3.479 3.230 3.636 . 0 0 "[ . 1 . 2 .]" 1
392 1 25 LEU QD 1 33 TRP HE3 4.000 . 5.500 5.377 5.251 5.508 0.008 9 0 "[ . 1 . 2 .]" 1
393 1 25 LEU QD 1 33 TRP HH2 4.000 . 7.000 6.293 6.032 6.631 . 0 0 "[ . 1 . 2 .]" 1
394 1 26 ASN H 1 27 GLU HA 4.000 . 7.000 5.593 5.481 5.639 . 0 0 "[ . 1 . 2 .]" 1
395 1 26 ASN H 1 28 ALA H 4.000 . 5.500 4.827 4.689 4.929 . 0 0 "[ . 1 . 2 .]" 1
396 1 26 ASN H 1 29 GLN H 4.000 . 5.500 3.807 3.649 3.957 . 0 0 "[ . 1 . 2 .]" 1
397 1 26 ASN H 1 29 GLN HA 4.000 . 7.000 5.669 5.409 5.833 . 0 0 "[ . 1 . 2 .]" 1
398 1 26 ASN H 1 29 GLN QB 3.000 . 3.600 2.966 2.494 3.191 . 0 0 "[ . 1 . 2 .]" 1
399 1 26 ASN H 1 29 GLN QE 4.000 . 7.000 5.428 4.540 5.804 . 0 0 "[ . 1 . 2 .]" 1
400 1 26 ASN H 1 29 GLN QG 4.000 . 5.500 2.998 2.350 3.289 . 0 0 "[ . 1 . 2 .]" 1
401 1 26 ASN H 1 30 ILE MG 4.000 . 7.000 7.143 6.507 7.311 0.311 17 0 "[ . 1 . 2 .]" 1
402 1 26 ASN HA 1 27 GLU H 2.200 . 2.700 2.309 2.268 2.334 . 0 0 "[ . 1 . 2 .]" 1
403 1 26 ASN HA 1 27 GLU HA 4.000 . 5.500 4.308 4.290 4.326 . 0 0 "[ . 1 . 2 .]" 1
404 1 26 ASN HA 1 27 GLU QB 4.000 . 5.500 4.553 4.132 4.699 . 0 0 "[ . 1 . 2 .]" 1
405 1 26 ASN HA 1 27 GLU QG 4.000 . 7.000 4.245 3.676 5.861 . 0 0 "[ . 1 . 2 .]" 1
406 1 26 ASN HA 1 28 ALA H 4.000 . 5.500 4.030 3.970 4.120 . 0 0 "[ . 1 . 2 .]" 1
407 1 26 ASN HA 1 28 ALA MB 4.000 . 7.000 5.026 4.928 5.139 . 0 0 "[ . 1 . 2 .]" 1
408 1 26 ASN HA 1 29 GLN H 4.000 . 7.000 4.588 4.465 4.688 . 0 0 "[ . 1 . 2 .]" 1
409 1 26 ASN HA 1 29 GLN QB 4.000 . 7.000 4.730 4.544 4.857 . 0 0 "[ . 1 . 2 .]" 1
410 1 26 ASN HA 1 29 GLN QG 4.000 . 7.000 5.217 4.694 5.445 . 0 0 "[ . 1 . 2 .]" 1
411 1 26 ASN QB 1 27 GLU H 3.000 . 3.600 3.140 2.555 3.546 . 0 0 "[ . 1 . 2 .]" 1
412 1 26 ASN QB 1 27 GLU HA 4.000 . 7.000 4.780 4.633 5.090 . 0 0 "[ . 1 . 2 .]" 1
413 1 26 ASN QB 1 27 GLU QB 4.000 . 7.000 4.454 3.884 4.949 . 0 0 "[ . 1 . 2 .]" 1
414 1 26 ASN QB 1 28 ALA H 4.000 . 7.000 2.597 2.266 3.194 . 0 0 "[ . 1 . 2 .]" 1
415 1 26 ASN QB 1 28 ALA MB 4.000 . 7.000 2.817 2.440 3.164 . 0 0 "[ . 1 . 2 .]" 1
416 1 26 ASN QB 1 29 GLN H 4.000 . 7.000 3.076 2.551 3.813 . 0 0 "[ . 1 . 2 .]" 1
417 1 26 ASN QD 1 27 GLU H 3.000 . 3.600 2.305 1.894 3.643 0.043 21 0 "[ . 1 . 2 .]" 1
418 1 26 ASN QD 1 27 GLU QG 4.000 . 5.500 3.977 3.056 5.383 . 0 0 "[ . 1 . 2 .]" 1
419 1 26 ASN QD 1 28 ALA H 4.000 . 5.500 2.223 1.879 3.052 . 0 0 "[ . 1 . 2 .]" 1
420 1 26 ASN QD 1 28 ALA MB 3.000 . 3.600 2.922 1.794 3.616 0.016 20 0 "[ . 1 . 2 .]" 1
421 1 26 ASN QD 1 29 GLN H 4.000 . 7.000 3.876 1.838 4.802 . 0 0 "[ . 1 . 2 .]" 1
422 1 26 ASN QD 1 29 GLN QG 4.000 . 7.000 4.868 1.948 5.812 . 0 0 "[ . 1 . 2 .]" 1
423 1 27 GLU H 1 28 ALA H 2.200 . 2.700 2.732 2.717 2.750 0.050 21 0 "[ . 1 . 2 .]" 1
424 1 27 GLU H 1 28 ALA MB 4.000 . 7.000 4.360 4.325 4.400 . 0 0 "[ . 1 . 2 .]" 1
425 1 27 GLU H 1 30 ILE MD 4.000 . 5.500 5.356 5.177 5.446 . 0 0 "[ . 1 . 2 .]" 1
426 1 27 GLU HA 1 28 ALA H 3.000 . 3.600 3.485 3.479 3.495 . 0 0 "[ . 1 . 2 .]" 1
427 1 27 GLU HA 1 28 ALA MB 4.000 . 7.000 4.983 4.975 4.999 . 0 0 "[ . 1 . 2 .]" 1
428 1 27 GLU HA 1 29 GLN H 4.000 . 5.500 3.985 3.899 4.207 . 0 0 "[ . 1 . 2 .]" 1
429 1 27 GLU HA 1 29 GLN QB 4.000 . 7.000 4.748 4.628 5.070 . 0 0 "[ . 1 . 2 .]" 1
430 1 27 GLU HA 1 30 ILE H 3.000 . 3.600 2.895 2.832 3.141 . 0 0 "[ . 1 . 2 .]" 1
431 1 27 GLU HA 1 30 ILE MD 3.000 . 3.600 3.713 3.681 3.745 0.145 22 0 "[ . 1 . 2 .]" 1
432 1 27 GLU HA 1 30 ILE HG13 4.000 . 7.000 2.173 2.067 2.332 . 0 0 "[ . 1 . 2 .]" 1
433 1 27 GLU HA 1 30 ILE MG 3.000 . 3.600 3.323 3.269 3.543 . 0 0 "[ . 1 . 2 .]" 1
434 1 27 GLU HA 1 31 LYS H 4.000 . 7.000 4.137 4.010 4.364 . 0 0 "[ . 1 . 2 .]" 1
435 1 27 GLU QB 1 28 ALA H 2.200 . 2.700 2.764 2.718 2.776 0.076 11 0 "[ . 1 . 2 .]" 1
436 1 27 GLU QB 1 28 ALA MB 4.000 . 7.000 3.980 3.878 4.045 . 0 0 "[ . 1 . 2 .]" 1
437 1 27 GLU QB 1 30 ILE MD 4.000 . 7.000 5.092 5.035 5.224 . 0 0 "[ . 1 . 2 .]" 1
438 1 27 GLU QB 1 30 ILE MG 4.000 . 7.000 4.020 3.797 4.673 . 0 0 "[ . 1 . 2 .]" 1
439 1 27 GLU QB 1 31 LYS H 4.000 . 5.500 4.547 4.293 5.050 . 0 0 "[ . 1 . 2 .]" 1
440 1 27 GLU QG 1 28 ALA H 4.000 . 5.500 4.172 3.987 4.426 . 0 0 "[ . 1 . 2 .]" 1
441 1 27 GLU QG 1 28 ALA MB 4.000 . 7.000 5.336 5.024 5.574 . 0 0 "[ . 1 . 2 .]" 1
442 1 27 GLU QG 1 30 ILE MD 4.000 . 7.000 4.586 4.362 5.236 . 0 0 "[ . 1 . 2 .]" 1
443 1 27 GLU QG 1 30 ILE MG 4.000 . 7.000 3.909 2.860 4.675 . 0 0 "[ . 1 . 2 .]" 1
444 1 28 ALA H 1 29 GLN H 2.200 . 2.700 2.630 2.614 2.662 . 0 0 "[ . 1 . 2 .]" 1
445 1 28 ALA H 1 29 GLN QG 4.000 . 7.000 4.678 4.239 4.979 . 0 0 "[ . 1 . 2 .]" 1
446 1 28 ALA H 1 30 ILE MD 4.000 . 7.000 6.097 6.049 6.202 . 0 0 "[ . 1 . 2 .]" 1
447 1 28 ALA H 1 30 ILE MG 4.000 . 5.500 5.897 5.843 6.035 0.535 17 1 "[ . 1 . + 2 .]" 1
448 1 28 ALA H 1 31 LYS H 4.000 . 5.500 4.842 4.748 4.980 . 0 0 "[ . 1 . 2 .]" 1
449 1 28 ALA HA 1 29 GLN H 3.000 . 3.600 3.497 3.481 3.526 . 0 0 "[ . 1 . 2 .]" 1
450 1 28 ALA HA 1 30 ILE H 4.000 . 5.500 4.144 4.095 4.250 . 0 0 "[ . 1 . 2 .]" 1
451 1 28 ALA HA 1 31 LYS H 3.000 . 3.600 3.603 3.543 3.645 0.045 14 0 "[ . 1 . 2 .]" 1
452 1 28 ALA HA 1 31 LYS QE 4.000 . 7.000 5.600 3.293 6.686 . 0 0 "[ . 1 . 2 .]" 1
453 1 28 ALA MB 1 29 GLN H 2.200 . 2.700 2.679 2.620 2.719 0.019 21 0 "[ . 1 . 2 .]" 1
454 1 28 ALA MB 1 29 GLN HA 4.000 . 7.000 3.859 3.799 3.925 . 0 0 "[ . 1 . 2 .]" 1
455 1 28 ALA MB 1 29 GLN QB 4.000 . 7.000 4.172 4.046 4.298 . 0 0 "[ . 1 . 2 .]" 1
456 1 28 ALA MB 1 29 GLN QE 4.000 . 5.500 5.440 5.186 5.536 0.036 14 0 "[ . 1 . 2 .]" 1
457 1 28 ALA MB 1 29 GLN QG 3.000 . 3.600 3.257 2.886 3.449 . 0 0 "[ . 1 . 2 .]" 1
458 1 28 ALA MB 1 30 ILE H 4.000 . 7.000 4.305 4.280 4.342 . 0 0 "[ . 1 . 2 .]" 1
459 1 28 ALA MB 1 32 ILE HB 4.000 . 7.000 5.647 5.486 5.778 . 0 0 "[ . 1 . 2 .]" 1
460 1 28 ALA MB 1 32 ILE MD 4.000 . 7.000 4.532 4.120 5.917 . 0 0 "[ . 1 . 2 .]" 1
461 1 29 GLN H 1 30 ILE HA 4.000 . 7.000 4.908 4.869 4.941 . 0 0 "[ . 1 . 2 .]" 1
462 1 29 GLN H 1 30 ILE HB 4.000 . 5.500 4.348 4.316 4.433 . 0 0 "[ . 1 . 2 .]" 1
463 1 29 GLN H 1 30 ILE MD 4.000 . 5.500 5.153 4.976 5.566 0.066 18 0 "[ . 1 . 2 .]" 1
464 1 29 GLN H 1 30 ILE HG13 4.000 . 7.000 5.143 4.548 5.300 . 0 0 "[ . 1 . 2 .]" 1
465 1 29 GLN H 1 30 ILE MG 4.000 . 7.000 5.530 5.512 5.580 . 0 0 "[ . 1 . 2 .]" 1
466 1 29 GLN H 1 31 LYS H 4.000 . 5.500 4.086 4.034 4.144 . 0 0 "[ . 1 . 2 .]" 1
467 1 29 GLN H 1 32 ILE H 4.000 . 7.000 5.182 4.972 5.213 . 0 0 "[ . 1 . 2 .]" 1
468 1 29 GLN H 1 32 ILE MD 4.000 . 7.000 5.540 5.233 7.064 0.064 20 0 "[ . 1 . 2 .]" 1
469 1 29 GLN HA 1 30 ILE H 3.000 . 3.600 3.445 3.443 3.454 . 0 0 "[ . 1 . 2 .]" 1
470 1 29 GLN HA 1 30 ILE HG12 4.000 . 5.500 5.336 5.272 5.385 . 0 0 "[ . 1 . 2 .]" 1
471 1 29 GLN HA 1 31 LYS H 4.000 . 5.500 4.263 4.247 4.347 . 0 0 "[ . 1 . 2 .]" 1
472 1 29 GLN HA 1 32 ILE H 3.000 . 3.600 3.600 3.478 3.624 0.024 18 0 "[ . 1 . 2 .]" 1
473 1 29 GLN HA 1 32 ILE HB 3.000 . 3.600 3.031 2.681 3.102 . 0 0 "[ . 1 . 2 .]" 1
474 1 29 GLN HA 1 33 TRP QB 4.000 . 7.000 4.327 4.170 4.569 . 0 0 "[ . 1 . 2 .]" 1
475 1 29 GLN QB 1 30 ILE H 2.200 . 2.700 2.775 2.746 2.788 0.088 8 0 "[ . 1 . 2 .]" 1
476 1 29 GLN QB 1 30 ILE MD 4.000 . 7.000 4.014 3.754 4.662 . 0 0 "[ . 1 . 2 .]" 1
477 1 29 GLN QB 1 31 LYS H 4.000 . 7.000 4.808 4.774 4.858 . 0 0 "[ . 1 . 2 .]" 1
478 1 29 GLN QB 1 32 ILE H 4.000 . 7.000 4.996 4.882 5.019 . 0 0 "[ . 1 . 2 .]" 1
479 1 29 GLN QB 1 32 ILE MD 4.000 . 7.000 5.185 4.916 6.406 . 0 0 "[ . 1 . 2 .]" 1
480 1 29 GLN QE 1 32 ILE HB 4.000 . 7.000 4.223 3.305 5.563 . 0 0 "[ . 1 . 2 .]" 1
481 1 29 GLN QE 1 32 ILE MD 4.000 . 7.000 4.536 3.891 5.794 . 0 0 "[ . 1 . 2 .]" 1
482 1 29 GLN QE 1 32 ILE MG 4.000 . 7.000 3.566 3.085 4.688 . 0 0 "[ . 1 . 2 .]" 1
483 1 29 GLN QE 1 33 TRP HE1 4.000 . 7.000 7.008 7.001 7.018 0.018 14 0 "[ . 1 . 2 .]" 1
484 1 29 GLN QG 1 30 ILE H 4.000 . 7.000 4.232 3.977 4.314 . 0 0 "[ . 1 . 2 .]" 1
485 1 29 GLN QG 1 31 LYS H 4.000 . 7.000 5.869 5.687 5.979 . 0 0 "[ . 1 . 2 .]" 1
486 1 29 GLN QG 1 32 ILE MD 4.000 . 7.000 5.047 4.498 6.369 . 0 0 "[ . 1 . 2 .]" 1
487 1 30 ILE H 1 31 LYS H 2.200 . 2.700 2.661 2.650 2.695 . 0 0 "[ . 1 . 2 .]" 1
488 1 30 ILE H 1 32 ILE H 4.000 . 7.000 4.324 4.141 4.357 . 0 0 "[ . 1 . 2 .]" 1
489 1 30 ILE HA 1 31 LYS H 3.000 . 3.600 3.551 3.547 3.569 . 0 0 "[ . 1 . 2 .]" 1
490 1 30 ILE HA 1 32 ILE H 4.000 . 5.500 4.508 4.374 4.573 . 0 0 "[ . 1 . 2 .]" 1
491 1 30 ILE HA 1 32 ILE MD 4.000 . 7.000 6.480 6.148 6.994 . 0 0 "[ . 1 . 2 .]" 1
492 1 30 ILE HA 1 33 TRP H 3.000 . 3.600 3.285 3.116 3.385 . 0 0 "[ . 1 . 2 .]" 1
493 1 30 ILE HA 1 33 TRP QB 2.200 . 2.700 1.862 1.789 1.939 0.011 15 0 "[ . 1 . 2 .]" 1
494 1 30 ILE HA 1 33 TRP HD1 4.000 . 7.000 4.589 4.281 4.865 . 0 0 "[ . 1 . 2 .]" 1
495 1 30 ILE HA 1 33 TRP HE1 4.000 . 7.000 6.042 5.841 6.232 . 0 0 "[ . 1 . 2 .]" 1
496 1 30 ILE HA 1 33 TRP HE3 4.000 . 5.500 4.088 3.943 4.240 . 0 0 "[ . 1 . 2 .]" 1
497 1 30 ILE HA 1 33 TRP HZ3 4.000 . 7.000 6.124 5.951 6.308 . 0 0 "[ . 1 . 2 .]" 1
498 1 30 ILE HA 1 34 PHE H 4.000 . 7.000 3.484 3.306 3.645 . 0 0 "[ . 1 . 2 .]" 1
499 1 30 ILE HA 1 34 PHE QD 4.000 . 5.500 3.042 2.731 3.419 . 0 0 "[ . 1 . 2 .]" 1
500 1 30 ILE HA 1 34 PHE QE 4.000 . 5.500 4.022 3.821 4.276 . 0 0 "[ . 1 . 2 .]" 1
501 1 30 ILE HB 1 33 TRP HE3 4.000 . 7.000 6.301 6.226 6.348 . 0 0 "[ . 1 . 2 .]" 1
502 1 30 ILE MD 1 31 LYS H 4.000 . 5.500 4.819 4.758 5.038 . 0 0 "[ . 1 . 2 .]" 1
503 1 30 ILE MD 1 31 LYS HA 4.000 . 7.000 5.795 5.708 5.898 . 0 0 "[ . 1 . 2 .]" 1
504 1 30 ILE MD 1 33 TRP QB 4.000 . 7.000 3.063 2.951 3.496 . 0 0 "[ . 1 . 2 .]" 1
505 1 30 ILE MD 1 33 TRP HH2 4.000 . 5.500 5.608 5.592 5.630 0.130 5 0 "[ . 1 . 2 .]" 1
506 1 30 ILE MD 1 34 PHE QB 4.000 . 7.000 4.968 4.772 5.317 . 0 0 "[ . 1 . 2 .]" 1
507 1 30 ILE MD 1 34 PHE QD 4.000 . 7.000 3.169 2.946 3.559 . 0 0 "[ . 1 . 2 .]" 1
508 1 30 ILE MD 1 34 PHE QE 4.000 . 7.000 2.163 1.933 2.478 . 0 0 "[ . 1 . 2 .]" 1
509 1 30 ILE MD 1 34 PHE HZ 4.000 . 5.500 4.177 3.988 4.335 . 0 0 "[ . 1 . 2 .]" 1
510 1 30 ILE MG 1 31 LYS H 3.000 . 3.600 3.341 3.234 3.407 . 0 0 "[ . 1 . 2 .]" 1
511 1 30 ILE MG 1 31 LYS HA 3.000 . 3.600 3.306 3.238 3.379 . 0 0 "[ . 1 . 2 .]" 1
512 1 30 ILE MG 1 31 LYS QG 4.000 . 7.000 4.690 3.773 5.451 . 0 0 "[ . 1 . 2 .]" 1
513 1 30 ILE MG 1 32 ILE H 4.000 . 7.000 4.992 4.881 5.052 . 0 0 "[ . 1 . 2 .]" 1
514 1 30 ILE MG 1 33 TRP H 4.000 . 5.500 4.614 4.425 4.761 . 0 0 "[ . 1 . 2 .]" 1
515 1 30 ILE MG 1 33 TRP QB 4.000 . 5.500 3.323 2.963 3.551 . 0 0 "[ . 1 . 2 .]" 1
516 1 30 ILE MG 1 33 TRP HD1 4.000 . 7.000 5.900 5.446 6.226 . 0 0 "[ . 1 . 2 .]" 1
517 1 30 ILE MG 1 33 TRP HE1 4.000 . 7.000 6.436 5.988 6.743 . 0 0 "[ . 1 . 2 .]" 1
518 1 30 ILE MG 1 33 TRP HE3 4.000 . 5.500 3.704 3.458 3.821 . 0 0 "[ . 1 . 2 .]" 1
519 1 30 ILE MG 1 33 TRP HH2 4.000 . 7.000 6.006 5.762 6.127 . 0 0 "[ . 1 . 2 .]" 1
520 1 30 ILE MG 1 33 TRP HZ3 4.000 . 7.000 4.743 4.586 4.825 . 0 0 "[ . 1 . 2 .]" 1
521 1 30 ILE MG 1 34 PHE QB 4.000 . 7.000 3.105 2.841 3.336 . 0 0 "[ . 1 . 2 .]" 1
522 1 30 ILE MG 1 34 PHE QD 2.200 . 2.700 1.803 1.781 1.822 0.019 18 0 "[ . 1 . 2 .]" 1
523 1 30 ILE MG 1 34 PHE QE 3.000 . 3.600 1.887 1.806 1.960 . 0 0 "[ . 1 . 2 .]" 1
524 1 30 ILE MG 1 34 PHE HZ 4.000 . 5.500 3.954 3.891 3.992 . 0 0 "[ . 1 . 2 .]" 1
525 1 30 ILE MG 1 35 GLN H 4.000 . 7.000 5.196 5.042 5.334 . 0 0 "[ . 1 . 2 .]" 1
526 1 31 LYS H 1 32 ILE H 2.200 . 2.700 2.740 2.680 2.757 0.057 19 0 "[ . 1 . 2 .]" 1
527 1 31 LYS H 1 32 ILE MD 4.000 . 7.000 4.885 4.256 5.687 . 0 0 "[ . 1 . 2 .]" 1
528 1 31 LYS H 1 32 ILE HG12 4.000 . 7.000 6.883 5.129 7.006 0.006 25 0 "[ . 1 . 2 .]" 1
529 1 31 LYS H 1 32 ILE MG 4.000 . 7.000 5.563 5.529 5.640 . 0 0 "[ . 1 . 2 .]" 1
530 1 31 LYS H 1 33 TRP H 4.000 . 7.000 3.910 3.860 3.990 . 0 0 "[ . 1 . 2 .]" 1
531 1 31 LYS H 1 33 TRP QB 4.000 . 7.000 4.320 4.225 4.412 . 0 0 "[ . 1 . 2 .]" 1
532 1 31 LYS H 1 34 PHE QB 4.000 . 5.500 4.946 4.803 5.100 . 0 0 "[ . 1 . 2 .]" 1
533 1 31 LYS H 1 34 PHE QD 4.000 . 7.000 4.762 4.714 4.786 . 0 0 "[ . 1 . 2 .]" 1
534 1 31 LYS HA 1 32 ILE H 3.000 . 3.600 3.535 3.525 3.540 . 0 0 "[ . 1 . 2 .]" 1
535 1 31 LYS HA 1 33 TRP H 4.000 . 5.500 4.528 4.449 4.690 . 0 0 "[ . 1 . 2 .]" 1
536 1 31 LYS QD 1 32 ILE HG12 4.000 . 7.000 6.063 4.678 7.001 0.001 4 0 "[ . 1 . 2 .]" 1
537 1 31 LYS QD 1 35 GLN QE 4.000 . 7.000 3.958 1.966 5.781 . 0 0 "[ . 1 . 2 .]" 1
538 1 31 LYS QG 1 32 ILE H 4.000 . 5.500 3.944 1.833 4.337 . 0 0 "[ . 1 . 2 .]" 1
539 1 31 LYS QG 1 32 ILE HA 4.000 . 5.500 4.594 3.230 5.535 0.035 4 0 "[ . 1 . 2 .]" 1
540 1 31 LYS QG 1 35 GLN QE 4.000 . 7.000 3.842 1.856 6.161 . 0 0 "[ . 1 . 2 .]" 1
541 1 32 ILE H 1 33 TRP H 2.200 . 2.700 2.477 2.438 2.545 . 0 0 "[ . 1 . 2 .]" 1
542 1 32 ILE H 1 33 TRP HA 4.000 . 5.500 5.122 5.088 5.177 . 0 0 "[ . 1 . 2 .]" 1
543 1 32 ILE H 1 33 TRP QB 4.000 . 7.000 4.087 4.028 4.156 . 0 0 "[ . 1 . 2 .]" 1
544 1 32 ILE H 1 34 PHE H 4.000 . 5.500 4.204 4.167 4.232 . 0 0 "[ . 1 . 2 .]" 1
545 1 32 ILE H 1 35 GLN H 4.000 . 7.000 4.590 4.475 4.682 . 0 0 "[ . 1 . 2 .]" 1
546 1 32 ILE HA 1 33 TRP H 3.000 . 3.600 3.492 3.476 3.520 . 0 0 "[ . 1 . 2 .]" 1
547 1 32 ILE HA 1 34 PHE H 4.000 . 5.500 4.577 4.510 4.650 . 0 0 "[ . 1 . 2 .]" 1
548 1 32 ILE HA 1 35 GLN H 3.000 . 3.600 3.507 3.421 3.618 0.018 20 0 "[ . 1 . 2 .]" 1
549 1 32 ILE HA 1 35 GLN QB 2.200 . 2.700 2.367 2.186 2.528 . 0 0 "[ . 1 . 2 .]" 1
550 1 32 ILE HA 1 35 GLN QE 4.000 . 7.000 3.981 3.208 4.812 . 0 0 "[ . 1 . 2 .]" 1
551 1 32 ILE HA 1 35 GLN QG 3.000 . 3.600 3.589 3.432 3.634 0.034 25 0 "[ . 1 . 2 .]" 1
552 1 32 ILE HA 1 36 ASN QB 4.000 . 7.000 4.441 3.908 4.734 . 0 0 "[ . 1 . 2 .]" 1
553 1 32 ILE HB 1 33 TRP H 2.200 . 2.700 2.752 2.651 2.777 0.077 19 0 "[ . 1 . 2 .]" 1
554 1 32 ILE HB 1 33 TRP QB 4.000 . 5.500 4.251 4.063 4.292 . 0 0 "[ . 1 . 2 .]" 1
555 1 32 ILE HB 1 35 GLN H 4.000 . 7.000 5.617 5.535 5.679 . 0 0 "[ . 1 . 2 .]" 1
556 1 32 ILE HB 1 35 GLN QE 4.000 . 7.000 6.360 5.713 7.003 0.003 19 0 "[ . 1 . 2 .]" 1
557 1 32 ILE MD 1 33 TRP H 4.000 . 7.000 4.390 4.169 4.635 . 0 0 "[ . 1 . 2 .]" 1
558 1 32 ILE MD 1 35 GLN QE 4.000 . 7.000 4.987 3.937 6.289 . 0 0 "[ . 1 . 2 .]" 1
559 1 32 ILE MD 1 36 ASN QD 4.000 . 7.000 5.087 4.130 6.167 . 0 0 "[ . 1 . 2 .]" 1
560 1 32 ILE HG12 1 33 TRP H 4.000 . 7.000 5.070 4.577 5.143 . 0 0 "[ . 1 . 2 .]" 1
561 1 32 ILE HG12 1 35 GLN H 4.000 . 7.000 6.496 5.888 7.005 0.005 3 0 "[ . 1 . 2 .]" 1
562 1 32 ILE HG12 1 35 GLN QE 4.000 . 7.000 5.656 4.549 6.900 . 0 0 "[ . 1 . 2 .]" 1
563 1 32 ILE MG 1 33 TRP H 3.000 . 3.600 2.684 2.578 2.874 . 0 0 "[ . 1 . 2 .]" 1
564 1 32 ILE MG 1 33 TRP HA 3.000 . 3.600 2.849 2.815 2.931 . 0 0 "[ . 1 . 2 .]" 1
565 1 32 ILE MG 1 33 TRP QB 4.000 . 7.000 3.442 3.368 3.564 . 0 0 "[ . 1 . 2 .]" 1
566 1 32 ILE MG 1 33 TRP HD1 4.000 . 7.000 5.101 5.080 5.136 . 0 0 "[ . 1 . 2 .]" 1
567 1 32 ILE MG 1 33 TRP HE1 4.000 . 7.000 7.073 7.056 7.117 0.117 20 0 "[ . 1 . 2 .]" 1
568 1 32 ILE MG 1 33 TRP HE3 4.000 . 7.000 6.050 5.987 6.190 . 0 0 "[ . 1 . 2 .]" 1
569 1 32 ILE MG 1 35 GLN H 4.000 . 5.500 4.733 4.646 4.822 . 0 0 "[ . 1 . 2 .]" 1
570 1 32 ILE MG 1 35 GLN QB 4.000 . 7.000 4.082 3.945 4.204 . 0 0 "[ . 1 . 2 .]" 1
571 1 32 ILE MG 1 36 ASN QB 4.000 . 5.500 3.001 2.435 3.395 . 0 0 "[ . 1 . 2 .]" 1
572 1 32 ILE MG 1 36 ASN QD 3.000 . 3.600 2.567 1.875 3.608 0.008 11 0 "[ . 1 . 2 .]" 1
573 1 33 TRP H 1 34 PHE H 2.200 . 2.700 2.783 2.755 2.801 0.101 15 0 "[ . 1 . 2 .]" 1
574 1 33 TRP H 1 34 PHE QD 4.000 . 5.500 4.606 4.518 4.652 . 0 0 "[ . 1 . 2 .]" 1
575 1 33 TRP H 1 34 PHE QE 4.000 . 7.000 6.430 6.322 6.493 . 0 0 "[ . 1 . 2 .]" 1
576 1 33 TRP HA 1 36 ASN H 3.000 . 3.600 3.665 3.656 3.673 0.073 4 0 "[ . 1 . 2 .]" 1
577 1 33 TRP HA 1 36 ASN QB 3.000 . 3.600 2.770 2.618 3.072 . 0 0 "[ . 1 . 2 .]" 1
578 1 33 TRP HA 1 36 ASN QD 4.000 . 5.500 4.359 3.233 5.497 . 0 0 "[ . 1 . 2 .]" 1
579 1 33 TRP QB 1 34 PHE H 3.000 . 3.600 2.304 2.287 2.326 . 0 0 "[ . 1 . 2 .]" 1
580 1 33 TRP QB 1 34 PHE QD 4.000 . 5.500 2.966 2.927 3.003 . 0 0 "[ . 1 . 2 .]" 1
581 1 33 TRP QB 1 34 PHE QE 4.000 . 7.000 4.245 4.171 4.313 . 0 0 "[ . 1 . 2 .]" 1
582 1 33 TRP QB 1 35 GLN H 4.000 . 7.000 4.544 4.510 4.571 . 0 0 "[ . 1 . 2 .]" 1
583 1 33 TRP HD1 1 34 PHE H 4.000 . 7.000 5.692 5.683 5.703 . 0 0 "[ . 1 . 2 .]" 1
584 1 33 TRP HD1 1 36 ASN QB 4.000 . 7.000 5.814 5.681 5.988 . 0 0 "[ . 1 . 2 .]" 1
585 1 33 TRP HE1 1 34 PHE HA 4.000 . 7.000 6.828 6.801 6.859 . 0 0 "[ . 1 . 2 .]" 1
586 1 33 TRP HE1 1 34 PHE HZ 4.000 . 7.000 7.161 7.148 7.168 0.168 9 0 "[ . 1 . 2 .]" 1
587 1 33 TRP HE1 1 37 LYS QB 4.000 . 7.000 6.318 5.671 7.001 0.001 11 0 "[ . 1 . 2 .]" 1
588 1 33 TRP HE1 1 37 LYS QD 4.000 . 7.000 4.766 4.160 5.376 . 0 0 "[ . 1 . 2 .]" 1
589 1 33 TRP HE1 1 37 LYS QE 4.000 . 7.000 5.269 3.337 7.003 0.003 7 0 "[ . 1 . 2 .]" 1
590 1 33 TRP HE1 1 37 LYS QG 4.000 . 7.000 5.885 4.950 6.754 . 0 0 "[ . 1 . 2 .]" 1
591 1 33 TRP HE3 1 34 PHE H 4.000 . 5.500 2.470 2.444 2.494 . 0 0 "[ . 1 . 2 .]" 1
592 1 33 TRP HE3 1 34 PHE HA 3.000 . 3.600 1.971 1.948 2.024 . 0 0 "[ . 1 . 2 .]" 1
593 1 33 TRP HE3 1 34 PHE QB 4.000 . 7.000 3.091 3.071 3.123 . 0 0 "[ . 1 . 2 .]" 1
594 1 33 TRP HE3 1 35 GLN H 4.000 . 7.000 4.442 4.385 4.488 . 0 0 "[ . 1 . 2 .]" 1
595 1 33 TRP HE3 1 37 LYS QG 4.000 . 7.000 4.843 2.847 5.738 . 0 0 "[ . 1 . 2 .]" 1
596 1 33 TRP HH2 1 34 PHE HA 4.000 . 7.000 4.987 4.934 5.050 . 0 0 "[ . 1 . 2 .]" 1
597 1 33 TRP HH2 1 37 LYS QD 4.000 . 7.000 2.818 2.436 3.816 . 0 0 "[ . 1 . 2 .]" 1
598 1 33 TRP HH2 1 37 LYS QE 4.000 . 7.000 3.735 2.265 5.656 . 0 0 "[ . 1 . 2 .]" 1
599 1 33 TRP HH2 1 37 LYS QG 4.000 . 7.000 4.383 3.586 4.935 . 0 0 "[ . 1 . 2 .]" 1
600 1 33 TRP HZ2 1 37 LYS QD 3.000 . 3.600 3.425 3.078 3.605 0.005 3 0 "[ . 1 . 2 .]" 1
601 1 33 TRP HZ2 1 37 LYS QE 4.000 . 5.500 3.973 2.416 5.458 . 0 0 "[ . 1 . 2 .]" 1
602 1 33 TRP HZ2 1 37 LYS QG 4.000 . 5.500 4.943 4.295 5.502 0.002 21 0 "[ . 1 . 2 .]" 1
603 1 33 TRP HZ3 1 34 PHE H 4.000 . 7.000 4.760 4.727 4.790 . 0 0 "[ . 1 . 2 .]" 1
604 1 33 TRP HZ3 1 34 PHE HA 4.000 . 7.000 2.833 2.781 2.910 . 0 0 "[ . 1 . 2 .]" 1
605 1 33 TRP HZ3 1 37 LYS QD 4.000 . 5.500 3.114 2.380 4.374 . 0 0 "[ . 1 . 2 .]" 1
606 1 33 TRP HZ3 1 37 LYS QG 4.000 . 7.000 4.311 2.748 4.996 . 0 0 "[ . 1 . 2 .]" 1
607 1 34 PHE H 1 35 GLN H 2.200 . 2.700 2.575 2.533 2.595 . 0 0 "[ . 1 . 2 .]" 1
608 1 34 PHE H 1 37 LYS QD 4.000 . 7.000 5.771 5.149 6.385 . 0 0 "[ . 1 . 2 .]" 1
609 1 34 PHE HA 1 35 GLN H 3.000 . 3.600 3.515 3.500 3.520 . 0 0 "[ . 1 . 2 .]" 1
610 1 34 PHE HA 1 36 ASN H 4.000 . 7.000 4.087 4.008 4.186 . 0 0 "[ . 1 . 2 .]" 1
611 1 34 PHE HA 1 37 LYS H 3.000 . 3.600 3.330 3.142 3.513 . 0 0 "[ . 1 . 2 .]" 1
612 1 34 PHE HA 1 37 LYS QG 4.000 . 5.500 4.285 2.266 5.023 . 0 0 "[ . 1 . 2 .]" 1
613 1 34 PHE HA 1 38 ARG H 4.000 . 7.000 4.272 3.866 4.826 . 0 0 "[ . 1 . 2 .]" 1
614 1 34 PHE QB 1 35 GLN H 3.000 . 3.600 2.706 2.639 2.724 . 0 0 "[ . 1 . 2 .]" 1
615 1 34 PHE QB 1 35 GLN QG 4.000 . 7.000 4.116 3.412 5.484 . 0 0 "[ . 1 . 2 .]" 1
616 1 34 PHE QD 1 35 GLN H 4.000 . 5.500 4.456 4.382 4.478 . 0 0 "[ . 1 . 2 .]" 1
617 1 34 PHE QD 1 35 GLN HA 4.000 . 5.500 5.613 5.593 5.632 0.132 20 0 "[ . 1 . 2 .]" 1
618 1 34 PHE QD 1 35 GLN QG 4.000 . 7.000 5.879 5.261 7.082 0.082 14 0 "[ . 1 . 2 .]" 1
619 1 34 PHE QD 1 37 LYS QB 4.000 . 7.000 4.206 3.827 4.492 . 0 0 "[ . 1 . 2 .]" 1
620 1 34 PHE QE 1 35 GLN H 4.000 . 7.000 6.518 6.456 6.537 . 0 0 "[ . 1 . 2 .]" 1
621 1 34 PHE QE 1 37 LYS QD 4.000 . 7.000 4.941 4.191 6.118 . 0 0 "[ . 1 . 2 .]" 1
622 1 34 PHE QE 1 37 LYS QG 4.000 . 7.000 5.945 4.875 6.553 . 0 0 "[ . 1 . 2 .]" 1
623 1 35 GLN H 1 36 ASN H 2.200 . 2.700 2.591 2.552 2.650 . 0 0 "[ . 1 . 2 .]" 1
624 1 35 GLN H 1 36 ASN HA 4.000 . 5.500 5.207 5.163 5.259 . 0 0 "[ . 1 . 2 .]" 1
625 1 35 GLN H 1 36 ASN QB 4.000 . 7.000 4.378 4.314 4.442 . 0 0 "[ . 1 . 2 .]" 1
626 1 35 GLN H 1 37 LYS H 4.000 . 5.500 4.151 4.003 4.296 . 0 0 "[ . 1 . 2 .]" 1
627 1 35 GLN HA 1 36 ASN H 3.000 . 3.600 3.501 3.498 3.510 . 0 0 "[ . 1 . 2 .]" 1
628 1 35 GLN HA 1 36 ASN HA 4.000 . 7.000 4.735 4.697 4.796 . 0 0 "[ . 1 . 2 .]" 1
629 1 35 GLN HA 1 38 ARG H 4.000 . 7.000 3.578 3.353 3.795 . 0 0 "[ . 1 . 2 .]" 1
630 1 35 GLN QB 1 36 ASN H 3.000 . 3.600 2.839 2.815 2.874 . 0 0 "[ . 1 . 2 .]" 1
631 1 35 GLN QB 1 36 ASN HA 4.000 . 7.000 4.023 3.890 4.407 . 0 0 "[ . 1 . 2 .]" 1
632 1 35 GLN QB 1 36 ASN QB 4.000 . 7.000 4.215 3.946 4.456 . 0 0 "[ . 1 . 2 .]" 1
633 1 35 GLN QE 1 36 ASN H 4.000 . 7.000 5.620 5.191 6.357 . 0 0 "[ . 1 . 2 .]" 1
634 1 35 GLN QG 1 36 ASN H 4.000 . 5.500 4.213 3.619 4.678 . 0 0 "[ . 1 . 2 .]" 1
635 1 35 GLN QG 1 36 ASN HA 4.000 . 7.000 5.374 3.639 5.846 . 0 0 "[ . 1 . 2 .]" 1
636 1 35 GLN QG 1 38 ARG QG 4.000 . 7.000 5.653 4.551 6.820 . 0 0 "[ . 1 . 2 .]" 1
637 1 36 ASN H 1 37 LYS H 2.200 . 2.700 2.491 2.372 2.651 . 0 0 "[ . 1 . 2 .]" 1
638 1 36 ASN H 1 37 LYS HA 4.000 . 7.000 5.127 4.996 5.267 . 0 0 "[ . 1 . 2 .]" 1
639 1 36 ASN H 1 37 LYS QG 4.000 . 7.000 5.530 3.838 6.121 . 0 0 "[ . 1 . 2 .]" 1
640 1 36 ASN H 1 38 ARG H 4.000 . 5.500 3.998 3.782 4.177 . 0 0 "[ . 1 . 2 .]" 1
641 1 36 ASN H 1 39 ALA MB 4.000 . 5.500 4.970 4.242 5.501 0.001 21 0 "[ . 1 . 2 .]" 1
642 1 36 ASN HA 1 37 LYS H 3.000 . 3.600 3.518 3.481 3.541 . 0 0 "[ . 1 . 2 .]" 1
643 1 36 ASN HA 1 37 LYS HA 4.000 . 7.000 4.773 4.732 4.837 . 0 0 "[ . 1 . 2 .]" 1
644 1 36 ASN HA 1 37 LYS QB 4.000 . 7.000 5.252 5.152 5.551 . 0 0 "[ . 1 . 2 .]" 1
645 1 36 ASN HA 1 37 LYS QG 4.000 . 7.000 6.012 4.876 6.583 . 0 0 "[ . 1 . 2 .]" 1
646 1 36 ASN HA 1 38 ARG H 4.000 . 5.500 4.243 3.960 4.604 . 0 0 "[ . 1 . 2 .]" 1
647 1 36 ASN HA 1 39 ALA H 4.000 . 5.500 4.187 3.313 5.508 0.008 2 0 "[ . 1 . 2 .]" 1
648 1 36 ASN HA 1 39 ALA MB 4.000 . 7.000 2.933 1.996 3.968 . 0 0 "[ . 1 . 2 .]" 1
649 1 36 ASN QB 1 37 LYS H 3.000 . 3.600 2.738 2.588 2.879 . 0 0 "[ . 1 . 2 .]" 1
650 1 36 ASN QB 1 37 LYS HA 4.000 . 5.500 3.884 3.770 4.135 . 0 0 "[ . 1 . 2 .]" 1
651 1 36 ASN QB 1 38 ARG H 4.000 . 7.000 4.673 4.514 4.915 . 0 0 "[ . 1 . 2 .]" 1
652 1 36 ASN QB 1 39 ALA H 4.000 . 7.000 5.419 4.533 6.701 . 0 0 "[ . 1 . 2 .]" 1
653 1 37 LYS H 1 38 ARG H 2.200 . 2.700 2.592 2.498 2.703 0.003 2 0 "[ . 1 . 2 .]" 1
654 1 37 LYS H 1 38 ARG HA 4.000 . 7.000 5.209 5.124 5.325 . 0 0 "[ . 1 . 2 .]" 1
655 1 37 LYS H 1 38 ARG QB 4.000 . 7.000 4.651 4.263 5.330 . 0 0 "[ . 1 . 2 .]" 1
656 1 37 LYS HA 1 38 ARG H 3.000 . 3.600 3.508 3.482 3.547 . 0 0 "[ . 1 . 2 .]" 1
657 1 37 LYS HA 1 39 ALA H 4.000 . 5.500 4.346 3.545 5.508 0.008 21 0 "[ . 1 . 2 .]" 1
658 1 37 LYS QB 1 38 ARG H 3.000 . 3.600 2.761 2.475 2.935 . 0 0 "[ . 1 . 2 .]" 1
659 1 37 LYS QG 1 38 ARG H 4.000 . 5.500 4.313 3.794 4.530 . 0 0 "[ . 1 . 2 .]" 1
660 1 37 LYS QG 1 38 ARG HA 4.000 . 7.000 5.120 4.282 5.873 . 0 0 "[ . 1 . 2 .]" 1
661 1 37 LYS QG 1 39 ALA H 4.000 . 7.000 5.677 5.110 6.916 . 0 0 "[ . 1 . 2 .]" 1
662 1 38 ARG H 1 39 ALA H 4.000 . 7.000 3.020 2.370 4.029 . 0 0 "[ . 1 . 2 .]" 1
663 1 38 ARG H 1 39 ALA HA 4.000 . 7.000 4.974 4.571 5.327 . 0 0 "[ . 1 . 2 .]" 1
664 1 38 ARG H 1 39 ALA MB 4.000 . 5.500 4.147 3.852 4.728 . 0 0 "[ . 1 . 2 .]" 1
665 1 38 ARG H 1 40 LYS H 4.000 . 7.000 4.966 4.071 6.350 . 0 0 "[ . 1 . 2 .]" 1
666 1 38 ARG HA 1 39 ALA H 3.000 . 3.600 2.954 2.173 3.491 . 0 0 "[ . 1 . 2 .]" 1
667 1 38 ARG QB 1 39 ALA H 3.000 . 3.600 3.350 2.794 3.634 0.034 20 0 "[ . 1 . 2 .]" 1
668 1 38 ARG QB 1 41 ILE HG13 4.000 . 7.000 4.853 2.662 6.512 . 0 0 "[ . 1 . 2 .]" 1
669 1 38 ARG QD 1 41 ILE MD 4.000 . 7.000 4.832 2.562 6.957 . 0 0 "[ . 1 . 2 .]" 1
670 1 39 ALA H 1 40 LYS H 3.000 . 3.600 2.582 1.954 3.611 0.011 21 0 "[ . 1 . 2 .]" 1
671 1 39 ALA H 1 41 ILE H 4.000 . 7.000 4.288 2.749 5.543 . 0 0 "[ . 1 . 2 .]" 1
672 1 39 ALA HA 1 40 LYS H 3.000 . 3.600 3.299 2.462 3.573 . 0 0 "[ . 1 . 2 .]" 1
673 1 39 ALA MB 1 40 LYS H 3.000 . 3.600 2.943 1.979 3.686 0.086 21 0 "[ . 1 . 2 .]" 1
674 1 39 ALA MB 1 41 ILE H 4.000 . 7.000 4.654 3.754 5.618 . 0 0 "[ . 1 . 2 .]" 1
675 1 39 ALA MB 1 41 ILE MD 4.000 . 7.000 4.875 3.563 6.576 . 0 0 "[ . 1 . 2 .]" 1
676 1 39 ALA MB 1 41 ILE MG 4.000 . 7.000 6.484 5.947 7.020 0.020 17 0 "[ . 1 . 2 .]" 1
677 1 40 LYS H 1 41 ILE H 3.000 . 3.600 2.628 2.017 3.611 0.011 23 0 "[ . 1 . 2 .]" 1
678 1 40 LYS H 1 41 ILE HG13 4.000 . 7.000 3.384 2.467 4.624 . 0 0 "[ . 1 . 2 .]" 1
679 1 40 LYS HA 1 41 ILE H 3.000 . 3.600 3.277 2.311 3.571 . 0 0 "[ . 1 . 2 .]" 1
680 1 40 LYS HA 1 41 ILE MD 4.000 . 7.000 4.587 3.123 5.665 . 0 0 "[ . 1 . 2 .]" 1
681 1 40 LYS QB 1 41 ILE H 4.000 . 7.000 3.069 1.963 4.036 . 0 0 "[ . 1 . 2 .]" 1
682 1 40 LYS QE 1 41 ILE MG 4.000 . 7.000 6.241 4.860 7.007 0.007 4 0 "[ . 1 . 2 .]" 1
683 1 41 ILE H 1 42 LYS H 3.000 . 3.600 3.500 3.249 3.604 0.004 25 0 "[ . 1 . 2 .]" 1
684 1 41 ILE HA 1 42 LYS H 2.200 . 2.700 2.242 2.160 2.385 . 0 0 "[ . 1 . 2 .]" 1
685 1 41 ILE MD 1 42 LYS H 4.000 . 7.000 5.520 5.152 5.644 . 0 0 "[ . 1 . 2 .]" 1
686 1 41 ILE HG13 1 42 LYS H 4.000 . 5.500 4.953 4.650 5.202 . 0 0 "[ . 1 . 2 .]" 1
687 1 41 ILE MG 1 42 LYS H 3.000 . 3.600 3.317 3.019 3.605 0.005 5 0 "[ . 1 . 2 .]" 1
688 1 41 ILE MG 1 42 LYS HA 4.000 . 7.000 4.118 3.570 4.739 . 0 0 "[ . 1 . 2 .]" 1
689 1 41 ILE MG 1 42 LYS QB 4.000 . 7.000 4.225 2.625 5.064 . 0 0 "[ . 1 . 2 .]" 1
690 1 41 ILE MG 1 43 LYS H 4.000 . 7.000 4.788 2.979 6.064 . 0 0 "[ . 1 . 2 .]" 1
691 1 42 LYS HA 1 43 LYS H 2.200 . 2.700 2.344 2.145 2.708 0.008 1 0 "[ . 1 . 2 .]" 1
692 1 43 LYS H 1 44 SER H 4.000 . 5.500 3.597 1.981 4.618 . 0 0 "[ . 1 . 2 .]" 1
693 1 43 LYS HA 1 44 SER H 3.000 . 3.600 2.706 2.139 3.571 . 0 0 "[ . 1 . 2 .]" 1
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