NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631861 |
6b7g   |
27271 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6b7g
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 764
_Distance_constraint_stats_list.Viol_count 1115
_Distance_constraint_stats_list.Viol_total 1284.413
_Distance_constraint_stats_list.Viol_max 0.592
_Distance_constraint_stats_list.Viol_rms 0.0607
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1152
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.050 0.029 4 0 "[ . 1]"
1 3 LYS 1.250 0.145 8 0 "[ . 1]"
1 4 ALA 4.126 0.276 3 0 "[ . 1]"
1 5 TYR 12.109 0.521 7 2 "[- . + 1]"
1 6 LEU 3.065 0.521 7 2 "[- . + 1]"
1 7 ASP 3.148 0.325 2 0 "[ . 1]"
1 8 GLU 0.334 0.102 4 0 "[ . 1]"
1 9 LEU 8.074 0.435 3 0 "[ . 1]"
1 10 VAL 4.730 0.325 2 0 "[ . 1]"
1 11 GLU 3.677 0.245 9 0 "[ . 1]"
1 12 LEU 2.996 0.245 9 0 "[ . 1]"
1 13 HIS 7.573 0.324 7 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 15 ARG 0.444 0.066 2 0 "[ . 1]"
1 16 LEU 2.842 0.247 4 0 "[ . 1]"
1 17 MET 0.739 0.169 8 0 "[ . 1]"
1 18 THR 1.370 0.196 8 0 "[ . 1]"
1 19 LEU 1.640 0.196 8 0 "[ . 1]"
1 20 ARG 0.979 0.292 8 0 "[ . 1]"
1 21 GLU 1.748 0.142 3 0 "[ . 1]"
1 22 ARG 0.777 0.093 2 0 "[ . 1]"
1 23 HIS 0.542 0.123 9 0 "[ . 1]"
1 24 ILE 5.118 0.348 5 0 "[ . 1]"
1 25 LEU 7.252 0.472 7 0 "[ . 1]"
1 26 GLN 1.016 0.123 9 0 "[ . 1]"
1 27 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 10.997 0.592 6 8 "[- ***+* **]"
1 29 VAL 3.289 0.238 3 0 "[ . 1]"
1 30 ASN 0.000 0.000 . 0 "[ . 1]"
1 31 LEU 0.137 0.096 10 0 "[ . 1]"
1 32 ILE 4.375 0.317 6 0 "[ . 1]"
1 33 GLU 0.025 0.014 2 0 "[ . 1]"
1 34 GLU 0.189 0.096 10 0 "[ . 1]"
1 35 THR 0.352 0.063 3 0 "[ . 1]"
1 36 GLY 0.419 0.129 4 0 "[ . 1]"
1 37 HIS 0.707 0.129 4 0 "[ . 1]"
1 38 PHE 1.219 0.179 6 0 "[ . 1]"
1 39 HIS 1.714 0.258 1 0 "[ . 1]"
1 40 ILE 6.732 0.384 7 0 "[ . 1]"
1 41 THR 0.185 0.068 6 0 "[ . 1]"
1 42 ASN 0.081 0.039 1 0 "[ . 1]"
1 43 THR 0.081 0.039 1 0 "[ . 1]"
1 44 THR 3.458 0.376 7 0 "[ . 1]"
1 45 PHE 4.372 0.439 10 0 "[ . 1]"
1 46 ASP 0.170 0.079 6 0 "[ . 1]"
1 47 PHE 9.038 0.439 10 0 "[ . 1]"
1 48 ASP 1.315 0.159 4 0 "[ . 1]"
1 49 LEU 5.178 0.327 7 0 "[ . 1]"
1 50 CYS 0.361 0.080 1 0 "[ . 1]"
1 51 SER 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 5.349 0.429 4 0 "[ . 1]"
1 53 ASP 0.289 0.093 10 0 "[ . 1]"
1 54 LYS 1.725 0.419 5 0 "[ . 1]"
1 55 THR 0.256 0.084 5 0 "[ . 1]"
1 56 THR 0.140 0.025 2 0 "[ . 1]"
1 57 VAL 2.395 0.361 4 0 "[ . 1]"
1 58 ARG 0.404 0.129 5 0 "[ . 1]"
1 59 LYS 3.853 0.248 10 0 "[ . 1]"
1 60 LEU 1.044 0.149 9 0 "[ . 1]"
1 61 GLN 2.271 0.248 10 0 "[ . 1]"
1 62 SER 0.296 0.046 7 0 "[ . 1]"
1 63 TYR 10.140 0.592 6 8 "[- ***+* **]"
1 64 LEU 0.464 0.080 1 0 "[ . 1]"
1 65 GLU 1.015 0.185 9 0 "[ . 1]"
1 66 THR 0.732 0.167 4 0 "[ . 1]"
1 67 SER 0.051 0.026 9 0 "[ . 1]"
1 68 GLY 0.000 0.000 2 0 "[ . 1]"
1 69 THR 0.000 0.000 2 0 "[ . 1]"
1 70 SER 0.007 0.004 2 0 "[ . 1]"
2 8 HIS 0.000 0.000 . 0 "[ . 1]"
2 9 LEU 0.143 0.140 6 0 "[ . 1]"
2 10 GLU 0.145 0.140 6 0 "[ . 1]"
2 11 ASP 0.000 0.000 . 0 "[ . 1]"
2 12 PRO 0.159 0.025 7 0 "[ . 1]"
2 13 HIS 0.006 0.004 6 0 "[ . 1]"
2 14 TYR 0.107 0.068 4 0 "[ . 1]"
2 15 SER 0.068 0.068 4 0 "[ . 1]"
2 16 GLU 0.276 0.117 7 0 "[ . 1]"
2 17 LEU 0.703 0.243 7 0 "[ . 1]"
2 18 THR 0.364 0.112 6 0 "[ . 1]"
2 19 ASN 5.270 0.361 3 0 "[ . 1]"
2 20 LEU 11.704 0.361 3 0 "[ . 1]"
2 21 LYS 3.900 0.327 7 0 "[ . 1]"
2 22 VAL 11.803 0.324 7 0 "[ . 1]"
2 23 CYS 0.268 0.097 10 0 "[ . 1]"
2 24 ILE 9.955 0.376 7 0 "[ . 1]"
2 25 GLU 0.890 0.104 8 0 "[ . 1]"
2 26 LEU 0.140 0.056 9 0 "[ . 1]"
2 27 THR 0.281 0.078 2 0 "[ . 1]"
2 28 GLY 0.504 0.104 8 0 "[ . 1]"
2 29 LEU 3.056 0.154 9 0 "[ . 1]"
2 30 HIS 0.940 0.121 5 0 "[ . 1]"
2 31 PRO 0.473 0.154 9 0 "[ . 1]"
2 32 LYS 0.122 0.099 10 0 "[ . 1]"
2 33 LYS 0.006 0.006 5 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 2 ASP HA 1 3 LYS H . . 2.700 2.457 2.142 2.729 0.029 4 0 "[ . 1]" 1
2 1 3 LYS H 1 3 LYS HA . . 2.700 2.732 2.709 2.780 0.080 7 0 "[ . 1]" 1
3 1 3 LYS H 1 3 LYS QB . . 2.700 2.520 2.260 2.643 . 0 0 "[ . 1]" 1
4 1 3 LYS H 1 4 ALA H . . 3.300 2.833 2.735 2.881 . 0 0 "[ . 1]" 1
5 1 3 LYS HA 1 4 ALA H 4.200 . 4.200 3.483 3.466 3.536 . 0 0 "[ . 1]" 1
6 1 3 LYS QB 1 4 ALA H . . 2.700 2.783 2.651 2.845 0.145 8 0 "[ . 1]" 1
7 1 4 ALA H 1 4 ALA MB 2.700 . 2.700 2.179 2.057 2.212 . 0 0 "[ . 1]" 1
8 1 4 ALA H 1 5 TYR H 2.700 . 2.700 2.824 2.708 2.887 0.187 2 0 "[ . 1]" 1
9 1 4 ALA HA 1 5 TYR H 4.200 . 4.200 3.534 3.523 3.553 . 0 0 "[ . 1]" 1
10 1 4 ALA HA 1 7 ASP QB 4.200 . 4.200 3.637 2.375 4.315 0.115 8 0 "[ . 1]" 1
11 1 4 ALA MB 1 5 TYR H 3.300 . 3.300 2.252 1.920 2.608 . 0 0 "[ . 1]" 1
12 1 4 ALA MB 1 5 TYR QD 4.200 . 4.200 4.346 4.043 4.476 0.276 3 0 "[ . 1]" 1
13 1 5 TYR H 1 5 TYR QB . . 2.700 2.126 2.003 2.227 . 0 0 "[ . 1]" 1
14 1 5 TYR H 1 5 TYR QD 3.300 . 3.300 3.369 3.216 3.587 0.287 4 0 "[ . 1]" 1
15 1 5 TYR H 1 6 LEU H 2.700 . 2.700 2.406 2.094 2.917 0.217 4 0 "[ . 1]" 1
16 1 5 TYR HA 1 5 TYR QD . . 2.700 3.009 2.832 3.180 0.480 3 0 "[ . 1]" 1
17 1 5 TYR HA 1 8 GLU H 4.200 . 4.200 3.330 3.096 3.588 . 0 0 "[ . 1]" 1
18 1 5 TYR HA 1 8 GLU QB 4.200 . 4.200 2.388 2.239 2.639 . 0 0 "[ . 1]" 1
19 1 5 TYR HA 1 8 GLU QG 4.200 . 4.200 4.166 3.619 4.302 0.102 4 0 "[ . 1]" 1
20 1 5 TYR HA 1 9 LEU H 5.500 . 5.500 4.958 4.607 5.229 . 0 0 "[ . 1]" 1
21 1 5 TYR QB 1 5 TYR QD . . 2.700 2.135 2.120 2.147 . 0 0 "[ . 1]" 1
22 1 5 TYR QB 1 6 LEU H . . 3.300 2.905 2.037 3.343 0.043 3 0 "[ . 1]" 1
23 1 5 TYR QB 1 8 GLU H 5.500 . 5.500 4.725 4.522 5.035 . 0 0 "[ . 1]" 1
24 1 5 TYR QD 1 6 LEU H 3.300 . 3.300 3.354 3.014 3.821 0.521 7 2 "[- . + 1]" 1
25 1 5 TYR QD 1 9 LEU MD1 3.300 . 3.300 3.042 2.248 3.439 0.139 6 0 "[ . 1]" 1
26 1 5 TYR QD 1 9 LEU HG 4.200 . 4.200 4.224 4.203 4.251 0.051 4 0 "[ . 1]" 1
27 1 5 TYR QD 1 57 VAL MG1 3.300 . 3.300 3.432 3.333 3.661 0.361 4 0 "[ . 1]" 1
28 1 5 TYR QE 1 9 LEU MD1 . . 2.700 2.410 2.131 2.924 0.224 4 0 "[ . 1]" 1
29 1 5 TYR QE 1 57 VAL MG1 . . 2.700 2.569 2.241 2.733 0.033 2 0 "[ . 1]" 1
30 1 6 LEU H 1 6 LEU QB . . 2.700 2.183 2.041 2.485 . 0 0 "[ . 1]" 1
31 1 6 LEU H 1 6 LEU QD 4.200 . 4.200 2.943 1.801 3.706 . 0 0 "[ . 1]" 1
32 1 6 LEU H 1 6 LEU HG 4.200 . 4.200 3.718 2.213 4.381 0.181 3 0 "[ . 1]" 1
33 1 6 LEU H 1 7 ASP H 2.700 . 2.700 2.685 2.546 2.807 0.107 4 0 "[ . 1]" 1
34 1 6 LEU HA 1 6 LEU QD 3.300 . 3.300 2.360 1.993 3.002 . 0 0 "[ . 1]" 1
35 1 6 LEU QB 1 6 LEU QD . . 2.700 1.921 1.866 2.025 . 0 0 "[ . 1]" 1
36 1 6 LEU QB 1 7 ASP H . . 2.700 2.567 2.395 2.718 0.018 9 0 "[ . 1]" 1
37 1 6 LEU QB 1 8 GLU H 5.500 . 5.500 4.330 4.135 4.478 . 0 0 "[ . 1]" 1
38 1 7 ASP H 1 7 ASP QB . . 2.700 2.275 2.148 2.498 . 0 0 "[ . 1]" 1
39 1 7 ASP H 1 8 GLU H 3.300 . 3.300 2.549 2.406 2.714 . 0 0 "[ . 1]" 1
40 1 7 ASP H 1 8 GLU QB 5.500 . 5.500 4.261 4.149 4.384 . 0 0 "[ . 1]" 1
41 1 7 ASP HA 1 8 GLU H 4.200 . 4.200 3.430 3.412 3.448 . 0 0 "[ . 1]" 1
42 1 7 ASP HA 1 10 VAL H 4.200 . 4.200 3.242 3.019 3.549 . 0 0 "[ . 1]" 1
43 1 7 ASP HA 1 10 VAL HB 3.300 . 3.300 2.379 2.368 2.393 . 0 0 "[ . 1]" 1
44 1 7 ASP HA 1 10 VAL MG2 3.300 . 3.300 3.553 3.481 3.625 0.325 2 0 "[ . 1]" 1
45 1 7 ASP QB 1 8 GLU H 3.300 . 3.300 3.044 3.003 3.083 . 0 0 "[ . 1]" 1
46 1 8 GLU H 1 8 GLU QB . . 2.700 2.206 2.132 2.264 . 0 0 "[ . 1]" 1
47 1 8 GLU H 1 8 GLU QG 4.200 . 4.200 3.919 3.806 4.070 . 0 0 "[ . 1]" 1
48 1 8 GLU H 1 9 LEU H 3.300 . 3.300 2.589 2.405 2.721 . 0 0 "[ . 1]" 1
49 1 8 GLU H 1 10 VAL H 5.500 . 5.500 3.839 3.552 4.030 . 0 0 "[ . 1]" 1
50 1 8 GLU HA 1 11 GLU H 5.500 . 5.500 4.524 4.274 4.708 . 0 0 "[ . 1]" 1
51 1 8 GLU QB 1 9 LEU H 4.200 . 4.200 2.769 2.592 2.921 . 0 0 "[ . 1]" 1
52 1 9 LEU H 1 9 LEU MD2 4.200 . 4.200 4.088 4.069 4.102 . 0 0 "[ . 1]" 1
53 1 9 LEU H 1 9 LEU HG . . 2.700 2.767 2.753 2.785 0.085 8 0 "[ . 1]" 1
54 1 9 LEU H 1 10 VAL H 3.300 . 3.300 2.343 2.290 2.430 . 0 0 "[ . 1]" 1
55 1 9 LEU H 2 20 LEU MD1 3.300 . 3.300 3.463 3.405 3.558 0.258 4 0 "[ . 1]" 1
56 1 9 LEU HA 1 9 LEU MD1 3.300 . 3.300 3.722 3.697 3.735 0.435 3 0 "[ . 1]" 1
57 1 9 LEU HA 1 9 LEU MD2 3.300 . 3.300 2.456 2.353 2.685 . 0 0 "[ . 1]" 1
58 1 9 LEU HA 1 12 LEU H 4.200 . 4.200 3.419 3.088 3.701 . 0 0 "[ . 1]" 1
59 1 9 LEU HA 1 12 LEU QB 4.200 . 4.200 3.515 3.208 3.850 . 0 0 "[ . 1]" 1
60 1 9 LEU QB 1 9 LEU MD2 . . 2.700 2.133 2.098 2.159 . 0 0 "[ . 1]" 1
61 1 9 LEU QB 2 20 LEU MD1 3.300 . 3.300 2.328 2.179 2.481 . 0 0 "[ . 1]" 1
62 1 9 LEU MD1 1 49 LEU QB 4.200 . 4.200 2.407 2.219 2.863 . 0 0 "[ . 1]" 1
63 1 9 LEU MD1 1 50 CYS HA 4.200 . 4.200 4.208 4.087 4.280 0.080 1 0 "[ . 1]" 1
64 1 9 LEU MD2 1 12 LEU QD 3.300 . 3.300 2.698 2.105 3.104 . 0 0 "[ . 1]" 1
65 1 10 VAL H 1 10 VAL HB . . 2.700 2.157 2.135 2.175 . 0 0 "[ . 1]" 1
66 1 10 VAL H 1 10 VAL MG1 4.200 . 4.200 2.766 2.688 2.814 . 0 0 "[ . 1]" 1
67 1 10 VAL H 1 11 GLU H 3.300 . 3.300 2.857 2.800 2.904 . 0 0 "[ . 1]" 1
68 1 10 VAL H 1 12 LEU H 5.500 . 5.500 4.900 4.581 5.078 . 0 0 "[ . 1]" 1
69 1 10 VAL H 2 20 LEU MD1 5.500 . 5.500 2.957 2.889 3.051 . 0 0 "[ . 1]" 1
70 1 10 VAL HA 1 10 VAL MG1 3.300 . 3.300 3.173 3.170 3.180 . 0 0 "[ . 1]" 1
71 1 10 VAL HA 1 10 VAL MG2 3.300 . 3.300 2.202 2.195 2.223 . 0 0 "[ . 1]" 1
72 1 10 VAL HA 1 13 HIS H 5.500 . 5.500 3.903 3.745 4.226 . 0 0 "[ . 1]" 1
73 1 10 VAL HA 1 13 HIS QB 4.200 . 4.200 2.511 2.435 2.725 . 0 0 "[ . 1]" 1
74 1 10 VAL HA 2 20 LEU MD1 4.200 . 4.200 2.998 2.837 3.150 . 0 0 "[ . 1]" 1
75 1 10 VAL HA 2 20 LEU MD2 . . 3.300 2.208 2.143 2.336 . 0 0 "[ . 1]" 1
76 1 10 VAL HB 1 11 GLU H 4.200 . 4.200 3.836 3.821 3.848 . 0 0 "[ . 1]" 1
77 1 10 VAL MG1 1 11 GLU H 4.200 . 4.200 2.203 2.155 2.222 . 0 0 "[ . 1]" 1
78 1 10 VAL MG1 1 11 GLU HA 3.300 . 3.300 3.080 3.059 3.122 . 0 0 "[ . 1]" 1
79 1 10 VAL MG2 1 11 GLU HA 4.200 . 4.200 4.327 4.289 4.344 0.144 1 0 "[ . 1]" 1
80 1 10 VAL MG2 1 14 ARG H 5.500 . 5.500 4.445 4.153 4.722 . 0 0 "[ . 1]" 1
81 1 10 VAL MG2 2 20 LEU MD1 3.300 . 3.300 3.393 3.346 3.424 0.124 1 0 "[ . 1]" 1
82 1 10 VAL MG2 2 20 LEU MD2 3.300 . 3.300 3.059 2.990 3.227 . 0 0 "[ . 1]" 1
83 1 11 GLU H 1 11 GLU QB . . 2.700 2.366 2.219 2.668 . 0 0 "[ . 1]" 1
84 1 11 GLU H 1 11 GLU QG 4.200 . 4.200 2.678 1.872 4.040 . 0 0 "[ . 1]" 1
85 1 11 GLU H 1 12 LEU H 3.300 . 3.300 2.726 2.505 2.827 . 0 0 "[ . 1]" 1
86 1 11 GLU H 1 13 HIS H 5.500 . 5.500 3.805 3.618 4.096 . 0 0 "[ . 1]" 1
87 1 11 GLU HA 1 12 LEU H 3.300 . 3.300 3.541 3.533 3.545 0.245 9 0 "[ . 1]" 1
88 1 11 GLU HA 1 14 ARG H 4.200 . 4.200 3.843 3.700 3.991 . 0 0 "[ . 1]" 1
89 1 11 GLU HA 1 15 ARG H 4.200 . 4.200 3.832 3.620 4.065 . 0 0 "[ . 1]" 1
90 1 11 GLU QB 1 12 LEU H 4.200 . 4.200 2.193 1.992 2.408 . 0 0 "[ . 1]" 1
91 1 12 LEU H 1 12 LEU QB . . 2.700 2.490 2.234 2.778 0.078 1 0 "[ . 1]" 1
92 1 12 LEU H 1 12 LEU QD . . 3.300 2.065 1.791 2.438 0.009 4 0 "[ . 1]" 1
93 1 12 LEU H 1 13 HIS H 3.300 . 3.300 2.747 2.615 2.925 . 0 0 "[ . 1]" 1
94 1 12 LEU HA 1 12 LEU QD . . 2.700 2.259 2.163 2.365 . 0 0 "[ . 1]" 1
95 1 12 LEU HA 1 13 HIS H 5.500 . 5.500 3.393 3.257 3.536 . 0 0 "[ . 1]" 1
96 1 12 LEU QB 1 12 LEU QD . . 2.700 1.935 1.926 1.944 . 0 0 "[ . 1]" 1
97 1 12 LEU QB 1 13 HIS H 3.300 . 3.300 2.918 2.188 3.369 0.069 8 0 "[ . 1]" 1
98 1 12 LEU QB 1 16 LEU MD1 3.300 . 3.300 3.035 2.334 3.334 0.034 9 0 "[ . 1]" 1
99 1 12 LEU QD 1 61 GLN HA 3.300 . 3.300 3.169 2.844 3.394 0.094 7 0 "[ . 1]" 1
100 1 12 LEU QD 1 61 GLN QG . . 3.300 2.786 2.190 3.306 0.006 10 0 "[ . 1]" 1
101 1 13 HIS H 1 13 HIS QB . . 2.700 2.185 2.025 2.232 . 0 0 "[ . 1]" 1
102 1 13 HIS H 1 13 HIS HD2 5.500 . 5.500 4.906 4.348 5.185 . 0 0 "[ . 1]" 1
103 1 13 HIS H 1 14 ARG H 4.200 . 4.200 2.816 2.647 3.068 . 0 0 "[ . 1]" 1
104 1 13 HIS H 1 16 LEU QB 5.500 . 5.500 4.667 4.582 4.949 . 0 0 "[ . 1]" 1
105 1 13 HIS H 1 49 LEU MD1 4.200 . 4.200 4.008 3.348 4.273 0.073 7 0 "[ . 1]" 1
106 1 13 HIS H 2 20 LEU MD2 5.500 . 5.500 3.813 3.343 3.930 . 0 0 "[ . 1]" 1
107 1 13 HIS HA 1 13 HIS HD2 . . 3.300 2.598 2.338 3.149 . 0 0 "[ . 1]" 1
108 1 13 HIS HA 1 14 ARG H 5.500 . 5.500 3.572 3.557 3.579 . 0 0 "[ . 1]" 1
109 1 13 HIS HA 1 16 LEU H 5.500 . 5.500 4.268 4.029 4.453 . 0 0 "[ . 1]" 1
110 1 13 HIS HA 1 16 LEU QB 4.200 . 4.200 3.293 2.890 3.508 . 0 0 "[ . 1]" 1
111 1 13 HIS HA 1 16 LEU MD1 . . 3.300 3.081 2.515 3.453 0.153 5 0 "[ . 1]" 1
112 1 13 HIS HA 1 49 LEU MD1 3.300 . 3.300 3.218 3.084 3.316 0.016 4 0 "[ . 1]" 1
113 1 13 HIS HA 2 20 LEU MD2 4.200 . 4.200 3.739 3.563 4.008 . 0 0 "[ . 1]" 1
114 1 13 HIS HA 2 22 VAL MG1 4.200 . 4.200 4.400 4.321 4.524 0.324 7 0 "[ . 1]" 1
115 1 13 HIS HA 2 22 VAL MG2 4.200 . 4.200 2.618 2.477 2.739 . 0 0 "[ . 1]" 1
116 1 13 HIS QB 1 14 ARG H . . 3.300 2.168 1.958 2.566 . 0 0 "[ . 1]" 1
117 1 13 HIS QB 1 49 LEU MD1 . . 3.300 2.857 2.209 3.211 . 0 0 "[ . 1]" 1
118 1 13 HIS QB 2 20 LEU MD2 . . 3.300 2.058 1.961 2.087 . 0 0 "[ . 1]" 1
119 1 13 HIS HD2 1 49 LEU MD1 3.300 . 3.300 2.711 2.592 2.854 . 0 0 "[ . 1]" 1
120 1 13 HIS HD2 1 49 LEU HG 4.200 . 4.200 3.954 3.891 3.993 . 0 0 "[ . 1]" 1
121 1 13 HIS HD2 2 20 LEU HA 4.200 . 4.200 4.035 3.982 4.101 . 0 0 "[ . 1]" 1
122 1 13 HIS HD2 2 20 LEU QB 4.200 . 4.200 4.392 4.298 4.454 0.254 2 0 "[ . 1]" 1
123 1 13 HIS HD2 2 20 LEU MD2 5.500 . 5.500 2.877 2.838 2.902 . 0 0 "[ . 1]" 1
124 1 13 HIS HD2 2 21 LYS H 4.200 . 4.200 3.574 3.406 3.692 . 0 0 "[ . 1]" 1
125 1 13 HIS HD2 2 22 VAL H 5.500 . 5.500 4.083 3.836 4.227 . 0 0 "[ . 1]" 1
126 1 13 HIS HD2 2 22 VAL MG1 4.200 . 4.200 4.293 4.259 4.329 0.129 10 0 "[ . 1]" 1
127 1 13 HIS HD2 2 22 VAL MG2 . . 2.700 2.173 2.140 2.228 . 0 0 "[ . 1]" 1
128 1 13 HIS HE1 2 20 LEU MD2 4.200 . 4.200 3.503 3.403 3.591 . 0 0 "[ . 1]" 1
129 1 13 HIS HE1 2 20 LEU HG 4.200 . 4.200 4.395 4.350 4.473 0.273 1 0 "[ . 1]" 1
130 1 14 ARG H 1 14 ARG QB 2.700 . 2.700 2.355 2.083 2.675 . 0 0 "[ . 1]" 1
131 1 14 ARG HA 1 17 MET H 4.200 . 4.200 3.994 3.862 4.162 . 0 0 "[ . 1]" 1
132 1 15 ARG H 1 15 ARG HA . . 2.700 2.743 2.726 2.766 0.066 2 0 "[ . 1]" 1
133 1 15 ARG H 1 15 ARG QD 4.200 . 4.200 3.836 3.511 4.136 . 0 0 "[ . 1]" 1
134 1 15 ARG H 1 15 ARG QG . . 3.300 2.278 1.861 3.316 0.016 4 0 "[ . 1]" 1
135 1 15 ARG H 1 16 LEU H 3.300 . 3.300 2.847 2.775 2.906 . 0 0 "[ . 1]" 1
136 1 15 ARG HA 1 15 ARG QD 4.200 . 4.200 3.398 2.404 4.173 . 0 0 "[ . 1]" 1
137 1 15 ARG HA 1 16 LEU H 5.500 . 5.500 3.489 3.456 3.534 . 0 0 "[ . 1]" 1
138 1 15 ARG HA 1 18 THR H 5.500 . 5.500 3.238 3.007 3.559 . 0 0 "[ . 1]" 1
139 1 16 LEU H 1 16 LEU MD2 4.200 . 4.200 4.144 4.064 4.167 . 0 0 "[ . 1]" 1
140 1 16 LEU H 1 16 LEU HG 4.200 . 4.200 3.315 2.836 3.462 . 0 0 "[ . 1]" 1
141 1 16 LEU H 1 17 MET H 3.300 . 3.300 2.726 2.678 2.762 . 0 0 "[ . 1]" 1
142 1 16 LEU H 1 18 THR H 5.500 . 5.500 4.253 4.151 4.370 . 0 0 "[ . 1]" 1
143 1 16 LEU HA 1 16 LEU MD1 4.200 . 4.200 3.709 3.699 3.725 . 0 0 "[ . 1]" 1
144 1 16 LEU HA 1 16 LEU MD2 3.300 . 3.300 2.259 2.238 2.310 . 0 0 "[ . 1]" 1
145 1 16 LEU HA 1 19 LEU H 5.500 . 5.500 3.337 3.023 3.586 . 0 0 "[ . 1]" 1
146 1 16 LEU HA 1 19 LEU QB 4.200 . 4.200 2.734 2.416 3.427 . 0 0 "[ . 1]" 1
147 1 16 LEU HA 1 19 LEU QD 3.300 . 3.300 2.642 2.324 3.370 0.070 3 0 "[ . 1]" 1
148 1 16 LEU QB 1 17 MET H 4.200 . 4.200 3.140 3.120 3.162 . 0 0 "[ . 1]" 1
149 1 16 LEU QB 2 22 VAL MG1 3.300 . 3.300 3.263 3.109 3.366 0.066 6 0 "[ . 1]" 1
150 1 16 LEU QB 2 22 VAL MG2 . . 3.300 3.466 3.400 3.547 0.247 4 0 "[ . 1]" 1
151 1 16 LEU MD1 2 22 VAL MG2 3.300 . 3.300 2.129 2.013 2.217 . 0 0 "[ . 1]" 1
152 1 16 LEU MD2 1 19 LEU H 4.200 . 4.200 4.196 3.930 4.259 0.059 1 0 "[ . 1]" 1
153 1 17 MET H 1 17 MET QB 3.300 . 3.300 2.473 2.408 2.558 . 0 0 "[ . 1]" 1
154 1 17 MET H 1 17 MET QG . . 2.700 2.188 2.034 2.323 . 0 0 "[ . 1]" 1
155 1 17 MET H 1 18 THR H 3.300 . 3.300 2.398 2.293 2.542 . 0 0 "[ . 1]" 1
156 1 17 MET H 1 19 LEU H 5.500 . 5.500 3.903 3.771 4.148 . 0 0 "[ . 1]" 1
157 1 17 MET HA 1 18 THR H 4.200 . 4.200 3.460 3.420 3.482 . 0 0 "[ . 1]" 1
158 1 17 MET QG 1 18 THR H 4.200 . 4.200 2.155 2.073 2.320 . 0 0 "[ . 1]" 1
159 1 17 MET QG 1 19 LEU H 4.200 . 4.200 4.274 4.216 4.369 0.169 8 0 "[ . 1]" 1
160 1 18 THR H 1 18 THR MG 3.300 . 3.300 3.351 2.936 3.421 0.121 4 0 "[ . 1]" 1
161 1 18 THR H 1 19 LEU H 2.700 . 2.700 2.314 2.244 2.384 . 0 0 "[ . 1]" 1
162 1 18 THR H 1 19 LEU QB 4.200 . 4.200 4.163 3.988 4.261 0.061 5 0 "[ . 1]" 1
163 1 18 THR HA 1 18 THR MG 3.300 . 3.300 2.877 2.810 3.115 . 0 0 "[ . 1]" 1
164 1 18 THR HA 1 19 LEU H 5.500 . 5.500 3.464 3.409 3.499 . 0 0 "[ . 1]" 1
165 1 18 THR HB 1 19 LEU H 3.300 . 3.300 3.298 3.176 3.496 0.196 8 0 "[ . 1]" 1
166 1 18 THR MG 1 19 LEU H 3.300 . 3.300 2.975 2.359 3.207 . 0 0 "[ . 1]" 1
167 1 19 LEU H 1 19 LEU QB . . 2.700 2.206 2.104 2.309 . 0 0 "[ . 1]" 1
168 1 19 LEU H 1 19 LEU QD 3.300 . 3.300 2.745 2.232 3.075 . 0 0 "[ . 1]" 1
169 1 19 LEU HA 1 19 LEU QD 3.300 . 3.300 2.262 2.002 2.387 . 0 0 "[ . 1]" 1
170 1 19 LEU HA 1 20 ARG H 3.300 . 3.300 2.199 2.137 2.371 . 0 0 "[ . 1]" 1
171 1 19 LEU QB 1 19 LEU QD . . 2.700 1.927 1.883 2.021 . 0 0 "[ . 1]" 1
172 1 20 ARG H 1 21 GLU H 3.300 . 3.300 1.825 1.747 2.070 0.053 4 0 "[ . 1]" 1
173 1 20 ARG HA 1 20 ARG QD 3.300 . 3.300 3.014 2.395 3.592 0.292 8 0 "[ . 1]" 1
174 1 21 GLU H 1 21 GLU HA . . 2.700 2.806 2.752 2.842 0.142 3 0 "[ . 1]" 1
175 1 21 GLU H 1 21 GLU QB . . 2.700 2.203 2.061 2.428 . 0 0 "[ . 1]" 1
176 1 21 GLU H 1 21 GLU QG 4.200 . 4.200 2.917 2.125 3.482 . 0 0 "[ . 1]" 1
177 1 21 GLU H 1 22 ARG H 5.500 . 5.500 4.276 4.267 4.283 . 0 0 "[ . 1]" 1
178 1 21 GLU H 1 25 LEU MD2 4.200 . 4.200 4.236 4.194 4.294 0.094 3 0 "[ . 1]" 1
179 1 21 GLU HA 1 22 ARG H . . 2.700 2.202 2.184 2.217 . 0 0 "[ . 1]" 1
180 1 21 GLU QB 1 23 HIS H 4.200 . 4.200 2.739 2.648 2.831 . 0 0 "[ . 1]" 1
181 1 21 GLU QB 1 24 ILE H 5.500 . 5.500 2.322 2.162 2.698 . 0 0 "[ . 1]" 1
182 1 21 GLU QB 1 24 ILE HB 4.200 . 4.200 2.425 2.304 2.837 . 0 0 "[ . 1]" 1
183 1 21 GLU QB 1 24 ILE MD 3.300 . 3.300 2.308 2.146 2.362 . 0 0 "[ . 1]" 1
184 1 21 GLU QG 1 22 ARG H 5.500 . 5.500 4.212 3.759 4.655 . 0 0 "[ . 1]" 1
185 1 21 GLU QG 1 24 ILE MD 3.300 . 3.300 3.291 3.121 3.318 0.018 5 0 "[ . 1]" 1
186 1 22 ARG H 1 22 ARG QB . . 2.700 2.603 2.340 2.737 0.037 7 0 "[ . 1]" 1
187 1 22 ARG HA 1 22 ARG QD 4.200 . 4.200 4.084 3.780 4.254 0.054 8 0 "[ . 1]" 1
188 1 22 ARG HA 1 25 LEU H 4.200 . 4.200 4.102 3.343 4.293 0.093 2 0 "[ . 1]" 1
189 1 22 ARG HA 1 25 LEU QB 4.200 . 4.200 3.025 2.629 3.125 . 0 0 "[ . 1]" 1
190 1 22 ARG HA 1 25 LEU MD1 3.300 . 3.300 3.187 2.678 3.340 0.040 6 0 "[ . 1]" 1
191 1 22 ARG HA 2 29 LEU MD2 3.300 . 3.300 2.538 2.116 2.918 . 0 0 "[ . 1]" 1
192 1 22 ARG QB 2 29 LEU MD2 3.300 . 3.300 2.757 2.152 3.338 0.038 1 0 "[ . 1]" 1
193 1 22 ARG QD 2 29 LEU MD2 5.500 . 5.500 4.233 2.952 5.191 . 0 0 "[ . 1]" 1
194 1 23 HIS H 1 24 ILE H 2.700 . 2.700 2.613 2.509 2.698 . 0 0 "[ . 1]" 1
195 1 23 HIS HA 1 24 ILE H 5.500 . 5.500 3.572 3.563 3.579 . 0 0 "[ . 1]" 1
196 1 23 HIS HA 1 24 ILE MD 4.200 . 4.200 4.143 4.079 4.185 . 0 0 "[ . 1]" 1
197 1 23 HIS HA 1 26 GLN H 4.200 . 4.200 4.254 4.205 4.323 0.123 9 0 "[ . 1]" 1
198 1 23 HIS HA 1 26 GLN QB 4.200 . 4.200 3.333 3.096 3.545 . 0 0 "[ . 1]" 1
199 1 23 HIS QB 1 24 ILE H 4.200 . 4.200 2.339 2.221 2.563 . 0 0 "[ . 1]" 1
200 1 24 ILE H 1 24 ILE HB . . 2.700 2.202 2.173 2.235 . 0 0 "[ . 1]" 1
201 1 24 ILE H 1 24 ILE MD 4.200 . 4.200 1.824 1.796 1.875 0.004 5 0 "[ . 1]" 1
202 1 24 ILE H 1 24 ILE QG . . 3.300 3.357 3.339 3.400 0.100 8 0 "[ . 1]" 1
203 1 24 ILE H 1 24 ILE MG 3.300 . 3.300 3.634 3.618 3.648 0.348 5 0 "[ . 1]" 1
204 1 24 ILE H 1 25 LEU H 3.300 . 3.300 2.810 2.540 2.893 . 0 0 "[ . 1]" 1
205 1 24 ILE H 1 25 LEU MD1 5.500 . 5.500 5.359 5.242 5.434 . 0 0 "[ . 1]" 1
206 1 24 ILE H 1 25 LEU HG 5.500 . 5.500 4.185 3.835 4.300 . 0 0 "[ . 1]" 1
207 1 24 ILE HA 1 24 ILE MD 3.300 . 3.300 2.379 2.348 2.489 . 0 0 "[ . 1]" 1
208 1 24 ILE HA 1 24 ILE MG 3.300 . 3.300 2.540 2.485 2.563 . 0 0 "[ . 1]" 1
209 1 24 ILE HA 1 63 TYR QE 3.300 . 3.300 3.412 3.357 3.493 0.193 2 0 "[ . 1]" 1
210 1 24 ILE HB 1 24 ILE MD 3.300 . 3.300 2.355 2.344 2.371 . 0 0 "[ . 1]" 1
211 1 24 ILE HB 1 25 LEU H 4.200 . 4.200 2.559 2.400 2.766 . 0 0 "[ . 1]" 1
212 1 24 ILE MG 1 25 LEU H 3.300 . 3.300 2.769 2.522 3.180 . 0 0 "[ . 1]" 1
213 1 24 ILE MG 1 27 GLN H 5.500 . 5.500 4.470 4.255 4.674 . 0 0 "[ . 1]" 1
214 1 24 ILE MG 1 63 TYR QE 5.500 . 5.500 3.881 3.697 4.016 . 0 0 "[ . 1]" 1
215 1 25 LEU H 1 25 LEU MD1 4.200 . 4.200 3.538 3.506 3.633 . 0 0 "[ . 1]" 1
216 1 25 LEU H 1 25 LEU MD2 . . 2.700 2.782 2.434 2.866 0.166 6 0 "[ . 1]" 1
217 1 25 LEU H 1 25 LEU HG 2.700 . 2.700 1.890 1.858 1.956 . 0 0 "[ . 1]" 1
218 1 25 LEU H 1 26 GLN H 4.200 . 4.200 3.006 2.913 3.093 . 0 0 "[ . 1]" 1
219 1 25 LEU HA 1 25 LEU MD1 3.300 . 3.300 3.763 3.713 3.772 0.472 7 0 "[ . 1]" 1
220 1 25 LEU HA 1 25 LEU MD2 2.700 . 2.700 2.144 2.140 2.148 . 0 0 "[ . 1]" 1
221 1 25 LEU HA 1 28 ILE H 3.300 . 3.300 3.353 3.313 3.409 0.109 5 0 "[ . 1]" 1
222 1 25 LEU HA 1 28 ILE HB 4.200 . 4.200 2.792 2.470 3.015 . 0 0 "[ . 1]" 1
223 1 25 LEU HA 1 28 ILE MD 3.300 . 3.300 2.476 2.331 2.897 . 0 0 "[ . 1]" 1
224 1 25 LEU QB 1 26 GLN H 5.500 . 5.500 2.191 2.076 2.356 . 0 0 "[ . 1]" 1
225 1 25 LEU MD1 1 26 GLN H 4.200 . 4.200 4.203 4.143 4.313 0.113 2 0 "[ . 1]" 1
226 1 25 LEU HG 1 26 GLN H 5.500 . 5.500 3.979 3.744 4.049 . 0 0 "[ . 1]" 1
227 1 26 GLN H 1 26 GLN QG 4.200 . 4.200 3.874 2.693 4.051 . 0 0 "[ . 1]" 1
228 1 26 GLN H 1 27 GLN H 3.300 . 3.300 2.789 2.721 2.867 . 0 0 "[ . 1]" 1
229 1 26 GLN H 2 29 LEU MD2 4.200 . 4.200 3.721 3.384 4.190 . 0 0 "[ . 1]" 1
230 1 26 GLN HA 1 26 GLN HE21 5.500 . 5.500 2.937 2.063 3.983 . 0 0 "[ . 1]" 1
231 1 26 GLN HA 1 26 GLN QE 5.500 . 5.500 2.806 2.043 3.488 . 0 0 "[ . 1]" 1
232 1 26 GLN HA 1 26 GLN HE22 4.200 . 4.200 3.818 3.275 4.215 0.015 6 0 "[ . 1]" 1
233 1 26 GLN HA 1 29 VAL H 5.500 . 5.500 3.763 3.424 4.287 . 0 0 "[ . 1]" 1
234 1 26 GLN HA 1 29 VAL HB . . 3.300 2.812 2.553 3.200 . 0 0 "[ . 1]" 1
235 1 26 GLN HA 1 29 VAL MG1 5.500 . 5.500 4.045 3.683 4.350 . 0 0 "[ . 1]" 1
236 1 26 GLN HA 1 29 VAL MG2 3.300 . 3.300 2.993 2.425 3.311 0.011 2 0 "[ . 1]" 1
237 1 26 GLN HA 1 30 ASN H 5.500 . 5.500 4.642 4.344 4.961 . 0 0 "[ . 1]" 1
238 1 26 GLN QE 1 26 GLN QG 2.700 . 2.700 2.203 2.175 2.268 . 0 0 "[ . 1]" 1
239 1 26 GLN QE 1 29 VAL HB 5.500 . 5.500 3.393 2.972 3.784 . 0 0 "[ . 1]" 1
240 1 26 GLN QE 1 29 VAL MG1 5.500 . 5.500 3.388 2.883 3.871 . 0 0 "[ . 1]" 1
241 1 26 GLN QE 1 30 ASN QD 5.500 . 5.500 4.714 3.135 5.477 . 0 0 "[ . 1]" 1
242 1 26 GLN HE21 1 29 VAL MG1 4.200 . 4.200 3.746 3.211 4.242 0.042 5 0 "[ . 1]" 1
243 1 26 GLN HE22 1 26 GLN QG 3.300 . 3.300 3.314 3.292 3.346 0.046 2 0 "[ . 1]" 1
244 1 26 GLN HE22 1 29 VAL HB 5.500 . 5.500 4.469 3.130 5.256 . 0 0 "[ . 1]" 1
245 1 26 GLN QG 2 29 LEU MD1 4.200 . 4.200 3.248 2.251 4.011 . 0 0 "[ . 1]" 1
246 1 27 GLN H 1 27 GLN QB . . 3.300 2.344 2.117 2.665 . 0 0 "[ . 1]" 1
247 1 27 GLN H 1 27 GLN QG 4.200 . 4.200 2.755 2.108 4.050 . 0 0 "[ . 1]" 1
248 1 27 GLN H 1 28 ILE H 2.700 . 2.700 2.584 2.447 2.678 . 0 0 "[ . 1]" 1
249 1 27 GLN HA 1 30 ASN H 4.200 . 4.200 3.688 3.500 3.838 . 0 0 "[ . 1]" 1
250 1 27 GLN HA 1 30 ASN QB 3.300 . 3.300 2.944 2.559 3.257 . 0 0 "[ . 1]" 1
251 1 27 GLN HA 1 30 ASN QD 5.500 . 5.500 4.638 3.617 5.397 . 0 0 "[ . 1]" 1
252 1 27 GLN QB 1 28 ILE HA 5.500 . 5.500 3.896 3.732 3.995 . 0 0 "[ . 1]" 1
253 1 27 GLN QB 1 63 TYR QE 2.700 . 2.700 2.333 2.157 2.556 . 0 0 "[ . 1]" 1
254 1 28 ILE H 1 28 ILE HB 2.700 . 2.700 2.328 2.276 2.411 . 0 0 "[ . 1]" 1
255 1 28 ILE H 1 28 ILE MD 3.300 . 3.300 3.083 2.792 3.467 0.167 7 0 "[ . 1]" 1
256 1 28 ILE H 1 28 ILE QG . . 2.700 2.495 2.204 2.662 . 0 0 "[ . 1]" 1
257 1 28 ILE H 1 28 ILE MG 3.300 . 3.300 3.688 3.675 3.711 0.411 4 0 "[ . 1]" 1
258 1 28 ILE H 1 29 VAL H 4.200 . 4.200 2.615 2.470 2.937 . 0 0 "[ . 1]" 1
259 1 28 ILE HA 1 28 ILE MD 4.200 . 4.200 3.792 3.769 3.815 . 0 0 "[ . 1]" 1
260 1 28 ILE HA 1 28 ILE QG 3.300 . 3.300 2.343 2.299 2.392 . 0 0 "[ . 1]" 1
261 1 28 ILE HA 1 28 ILE MG 3.300 . 3.300 2.411 2.336 2.495 . 0 0 "[ . 1]" 1
262 1 28 ILE HA 1 30 ASN H 5.500 . 5.500 3.888 3.653 4.455 . 0 0 "[ . 1]" 1
263 1 28 ILE HA 1 31 LEU QB 4.200 . 4.200 3.018 2.502 3.624 . 0 0 "[ . 1]" 1
264 1 28 ILE HA 1 63 TYR QE 3.300 . 3.300 3.204 3.085 3.386 0.086 2 0 "[ . 1]" 1
265 1 28 ILE HB 1 28 ILE MD 3.300 . 3.300 2.185 2.153 2.236 . 0 0 "[ . 1]" 1
266 1 28 ILE HB 1 29 VAL H 4.200 . 4.200 2.523 2.343 2.744 . 0 0 "[ . 1]" 1
267 1 28 ILE MD 1 63 TYR QB 4.200 . 4.200 2.089 1.991 2.125 . 0 0 "[ . 1]" 1
268 1 28 ILE MD 1 63 TYR QD 4.200 . 4.200 3.178 3.063 3.239 . 0 0 "[ . 1]" 1
269 1 28 ILE MD 1 63 TYR QE 4.200 . 4.200 4.273 4.141 4.367 0.167 7 0 "[ . 1]" 1
270 1 28 ILE QG 1 63 TYR H 3.300 . 3.300 3.827 3.789 3.892 0.592 6 8 "[- ***+* **]" 1
271 1 28 ILE QG 1 63 TYR QD . . 3.300 2.372 2.304 2.417 . 0 0 "[ . 1]" 1
272 1 28 ILE MG 1 29 VAL HA . . 4.200 3.251 3.109 3.426 . 0 0 "[ . 1]" 1
273 1 28 ILE MG 1 32 ILE QG 4.200 . 4.200 3.113 2.882 3.342 . 0 0 "[ . 1]" 1
274 1 28 ILE MG 1 45 PHE QE 5.500 . 5.500 5.204 4.169 5.554 0.054 4 0 "[ . 1]" 1
275 1 29 VAL H 1 29 VAL HB . . 2.700 2.464 2.364 2.580 . 0 0 "[ . 1]" 1
276 1 29 VAL H 1 29 VAL MG1 4.200 . 4.200 3.743 3.722 3.758 . 0 0 "[ . 1]" 1
277 1 29 VAL H 1 29 VAL MG2 . . 2.700 2.273 2.140 2.407 . 0 0 "[ . 1]" 1
278 1 29 VAL H 1 30 ASN H . . 3.300 2.781 2.668 2.887 . 0 0 "[ . 1]" 1
279 1 29 VAL HA 1 29 VAL MG1 . . 3.300 2.404 2.330 2.473 . 0 0 "[ . 1]" 1
280 1 29 VAL HA 1 29 VAL MG2 3.300 . 3.300 2.290 2.263 2.322 . 0 0 "[ . 1]" 1
281 1 29 VAL HA 1 30 ASN H 5.500 . 5.500 3.489 3.464 3.558 . 0 0 "[ . 1]" 1
282 1 29 VAL HA 1 32 ILE HB 4.200 . 4.200 3.418 3.015 3.666 . 0 0 "[ . 1]" 1
283 1 29 VAL HA 1 45 PHE QE 5.500 . 5.500 3.714 2.639 4.109 . 0 0 "[ . 1]" 1
284 1 29 VAL HB 1 30 ASN H . . 3.300 2.904 2.471 3.033 . 0 0 "[ . 1]" 1
285 1 29 VAL MG1 1 29 VAL MG2 2.700 . 2.700 2.024 1.969 2.074 . 0 0 "[ . 1]" 1
286 1 29 VAL MG1 1 30 ASN H 4.200 . 4.200 3.512 3.075 3.708 . 0 0 "[ . 1]" 1
287 1 29 VAL MG1 1 33 GLU H 5.500 . 5.500 4.521 4.393 4.702 . 0 0 "[ . 1]" 1
288 1 29 VAL MG1 1 33 GLU QB 4.200 . 4.200 3.784 3.445 4.154 . 0 0 "[ . 1]" 1
289 1 29 VAL MG1 1 33 GLU QG . . 4.200 3.698 2.501 4.192 . 0 0 "[ . 1]" 1
290 1 29 VAL MG1 1 45 PHE H 5.500 . 5.500 5.493 5.244 5.577 0.077 4 0 "[ . 1]" 1
291 1 29 VAL MG1 1 45 PHE QD 4.200 . 4.200 3.116 2.525 3.490 . 0 0 "[ . 1]" 1
292 1 29 VAL MG1 1 45 PHE QE 4.200 . 4.200 3.207 2.655 3.644 . 0 0 "[ . 1]" 1
293 1 29 VAL MG1 2 24 ILE MD 4.200 . 4.200 3.604 3.319 3.841 . 0 0 "[ . 1]" 1
294 1 29 VAL MG1 2 26 LEU MD2 3.300 . 3.300 3.080 2.705 3.305 0.005 1 0 "[ . 1]" 1
295 1 29 VAL MG1 2 29 LEU MD1 4.200 . 4.200 4.087 3.527 4.243 0.043 3 0 "[ . 1]" 1
296 1 29 VAL MG2 1 30 ASN H 4.200 . 4.200 4.037 3.812 4.128 . 0 0 "[ . 1]" 1
297 1 29 VAL MG2 1 45 PHE QB 4.200 . 4.200 3.171 2.723 4.207 0.007 2 0 "[ . 1]" 1
298 1 29 VAL MG2 1 45 PHE QD 3.300 . 3.300 3.137 2.558 3.324 0.024 4 0 "[ . 1]" 1
299 1 29 VAL MG2 1 45 PHE QE 4.200 . 4.200 3.924 2.603 4.228 0.028 4 0 "[ . 1]" 1
300 1 29 VAL MG2 1 45 PHE HZ 5.500 . 5.500 5.251 4.582 5.508 0.008 10 0 "[ . 1]" 1
301 1 29 VAL MG2 2 24 ILE HB 3.300 . 3.300 3.439 3.311 3.538 0.238 3 0 "[ . 1]" 1
302 1 29 VAL MG2 2 24 ILE MD 3.300 . 3.300 2.045 1.900 2.204 . 0 0 "[ . 1]" 1
303 1 29 VAL MG2 2 24 ILE QG 4.200 . 4.200 3.691 3.528 3.869 . 0 0 "[ . 1]" 1
304 1 29 VAL MG2 2 24 ILE MG 2.700 . 2.700 2.796 2.711 2.888 0.188 8 0 "[ . 1]" 1
305 1 29 VAL MG2 2 26 LEU MD2 3.300 . 3.300 3.136 2.930 3.291 . 0 0 "[ . 1]" 1
306 1 29 VAL MG2 2 29 LEU MD1 3.300 . 3.300 3.222 3.026 3.367 0.067 4 0 "[ . 1]" 1
307 1 30 ASN H 1 30 ASN QB . . 2.700 2.149 2.057 2.476 . 0 0 "[ . 1]" 1
308 1 30 ASN H 1 30 ASN QD 5.500 . 5.500 4.172 2.867 4.797 . 0 0 "[ . 1]" 1
309 1 30 ASN H 1 32 ILE H 5.500 . 5.500 4.672 4.497 4.885 . 0 0 "[ . 1]" 1
310 1 30 ASN HA 1 33 GLU H 4.200 . 4.200 3.617 3.479 3.725 . 0 0 "[ . 1]" 1
311 1 30 ASN HA 1 33 GLU QB 5.500 . 5.500 2.438 2.345 2.569 . 0 0 "[ . 1]" 1
312 1 30 ASN QB 1 31 LEU H 3.300 . 3.300 2.759 2.125 3.089 . 0 0 "[ . 1]" 1
313 1 31 LEU H 1 31 LEU QB . . 2.700 2.168 2.074 2.293 . 0 0 "[ . 1]" 1
314 1 31 LEU H 1 31 LEU QD 4.200 . 4.200 3.258 1.797 3.768 0.003 3 0 "[ . 1]" 1
315 1 31 LEU HA 1 31 LEU QD 4.200 . 4.200 2.253 1.992 2.342 . 0 0 "[ . 1]" 1
316 1 31 LEU HA 1 31 LEU HG 4.200 . 4.200 2.640 2.394 3.587 . 0 0 "[ . 1]" 1
317 1 31 LEU HA 1 34 GLU QB 4.200 . 4.200 3.623 2.893 4.296 0.096 10 0 "[ . 1]" 1
318 1 31 LEU QB 1 31 LEU QD . . 2.700 1.945 1.892 2.026 . 0 0 "[ . 1]" 1
319 1 31 LEU QB 1 32 ILE H 4.200 . 4.200 2.182 1.991 2.398 . 0 0 "[ . 1]" 1
320 1 31 LEU QB 1 35 THR H 5.500 . 5.500 5.230 4.810 5.505 0.005 1 0 "[ . 1]" 1
321 1 32 ILE H 1 32 ILE HB 4.200 . 4.200 2.586 2.529 2.657 . 0 0 "[ . 1]" 1
322 1 32 ILE H 1 32 ILE MD 3.300 . 3.300 3.192 2.894 3.536 0.236 2 0 "[ . 1]" 1
323 1 32 ILE H 1 32 ILE QG 4.200 . 4.200 1.958 1.873 2.039 . 0 0 "[ . 1]" 1
324 1 32 ILE H 1 32 ILE MG 4.200 . 4.200 3.759 3.752 3.768 . 0 0 "[ . 1]" 1
325 1 32 ILE H 1 33 GLU H . . 3.300 2.748 2.714 2.813 . 0 0 "[ . 1]" 1
326 1 32 ILE H 1 34 GLU H 5.500 . 5.500 4.386 4.242 4.733 . 0 0 "[ . 1]" 1
327 1 32 ILE H 1 60 LEU MD2 3.300 . 3.300 3.285 3.180 3.363 0.063 7 0 "[ . 1]" 1
328 1 32 ILE HA 1 32 ILE MD 3.300 . 3.300 2.222 2.148 2.328 . 0 0 "[ . 1]" 1
329 1 32 ILE HA 1 32 ILE MG 3.300 . 3.300 2.319 2.301 2.344 . 0 0 "[ . 1]" 1
330 1 32 ILE HA 1 35 THR H 4.200 . 4.200 3.377 3.006 3.675 . 0 0 "[ . 1]" 1
331 1 32 ILE HA 1 35 THR MG 3.300 . 3.300 2.267 2.155 2.582 . 0 0 "[ . 1]" 1
332 1 32 ILE HA 1 45 PHE HZ 5.500 . 5.500 5.214 4.971 5.539 0.039 7 0 "[ . 1]" 1
333 1 32 ILE HB 1 32 ILE MD . . 3.300 3.221 3.182 3.248 . 0 0 "[ . 1]" 1
334 1 32 ILE HB 1 45 PHE QE 5.500 . 5.500 2.600 2.406 3.395 . 0 0 "[ . 1]" 1
335 1 32 ILE HB 1 45 PHE HZ 4.200 . 4.200 3.029 2.406 3.404 . 0 0 "[ . 1]" 1
336 1 32 ILE MD 1 32 ILE MG 3.300 . 3.300 1.975 1.865 2.078 . 0 0 "[ . 1]" 1
337 1 32 ILE MD 1 33 GLU H 5.500 . 5.500 4.770 4.596 4.968 . 0 0 "[ . 1]" 1
338 1 32 ILE MD 1 35 THR H 5.500 . 5.500 4.879 4.761 5.123 . 0 0 "[ . 1]" 1
339 1 32 ILE MD 1 35 THR HB 4.200 . 4.200 4.186 3.833 4.263 0.063 3 0 "[ . 1]" 1
340 1 32 ILE MD 1 38 PHE QB 4.200 . 4.200 4.272 4.125 4.379 0.179 6 0 "[ . 1]" 1
341 1 32 ILE MD 1 47 PHE QB 4.200 . 4.200 3.664 2.913 4.246 0.046 10 0 "[ . 1]" 1
342 1 32 ILE MD 1 47 PHE QD 3.300 . 3.300 2.995 2.555 3.291 . 0 0 "[ . 1]" 1
343 1 32 ILE MD 1 49 LEU HA 5.500 . 5.500 4.893 4.773 5.021 . 0 0 "[ . 1]" 1
344 1 32 ILE MD 1 52 LEU MD1 . . 2.700 2.297 2.099 2.656 . 0 0 "[ . 1]" 1
345 1 32 ILE MD 1 52 LEU MD2 3.300 . 3.300 3.127 2.820 3.336 0.036 1 0 "[ . 1]" 1
346 1 32 ILE MD 1 56 THR MG 3.300 . 3.300 2.959 2.577 3.307 0.007 8 0 "[ . 1]" 1
347 1 32 ILE QG 1 32 ILE MG . . 3.300 2.319 2.191 2.511 . 0 0 "[ . 1]" 1
348 1 32 ILE QG 1 47 PHE QD 4.200 . 4.200 3.715 3.361 4.137 . 0 0 "[ . 1]" 1
349 1 32 ILE QG 2 24 ILE MD 4.200 . 4.200 4.365 4.251 4.517 0.317 6 0 "[ . 1]" 1
350 1 32 ILE MG 1 33 GLU H 4.200 . 4.200 3.888 3.819 3.940 . 0 0 "[ . 1]" 1
351 1 32 ILE MG 1 37 HIS H 5.500 . 5.500 3.544 3.199 4.578 . 0 0 "[ . 1]" 1
352 1 32 ILE MG 1 38 PHE H 5.500 . 5.500 4.743 4.592 5.114 . 0 0 "[ . 1]" 1
353 1 32 ILE MG 1 38 PHE HA 5.500 . 5.500 4.077 3.798 4.498 . 0 0 "[ . 1]" 1
354 1 32 ILE MG 1 38 PHE QB . . 3.300 2.213 2.110 2.541 . 0 0 "[ . 1]" 1
355 1 32 ILE MG 1 38 PHE QD 4.200 . 4.200 2.434 2.231 3.573 . 0 0 "[ . 1]" 1
356 1 32 ILE MG 1 45 PHE QE 3.300 . 3.300 2.209 2.135 2.409 . 0 0 "[ . 1]" 1
357 1 32 ILE MG 1 45 PHE HZ 3.300 . 3.300 2.427 2.295 2.786 . 0 0 "[ . 1]" 1
358 1 32 ILE MG 1 47 PHE QB 4.200 . 4.200 2.581 2.213 2.949 . 0 0 "[ . 1]" 1
359 1 32 ILE MG 1 47 PHE QD . . 3.300 3.298 2.817 3.416 0.116 7 0 "[ . 1]" 1
360 1 32 ILE MG 1 52 LEU MD1 3.300 . 3.300 3.047 2.751 3.317 0.017 6 0 "[ . 1]" 1
361 1 33 GLU H 1 33 GLU QG 4.200 . 4.200 3.581 2.745 3.869 . 0 0 "[ . 1]" 1
362 1 33 GLU H 1 34 GLU H . . 3.300 2.460 2.342 2.609 . 0 0 "[ . 1]" 1
363 1 33 GLU H 1 45 PHE HZ 5.500 . 5.500 4.736 4.142 5.484 . 0 0 "[ . 1]" 1
364 1 33 GLU HA 1 38 PHE QD 4.200 . 4.200 3.943 3.432 4.214 0.014 2 0 "[ . 1]" 1
365 1 33 GLU HA 1 38 PHE QE 3.300 . 3.300 2.751 2.462 3.311 0.011 10 0 "[ . 1]" 1
366 1 33 GLU QB 1 34 GLU H . . 3.300 2.912 2.357 3.051 . 0 0 "[ . 1]" 1
367 1 33 GLU QG 1 38 PHE QE 5.500 . 5.500 3.734 3.143 4.164 . 0 0 "[ . 1]" 1
368 1 34 GLU H 1 34 GLU QB . . 2.700 2.438 2.153 2.739 0.039 10 0 "[ . 1]" 1
369 1 34 GLU H 1 34 GLU QG . . 3.300 2.462 1.813 3.319 0.019 8 0 "[ . 1]" 1
370 1 34 GLU H 1 35 THR H 2.700 . 2.700 2.392 2.268 2.539 . 0 0 "[ . 1]" 1
371 1 34 GLU H 1 35 THR MG 4.200 . 4.200 3.714 3.514 4.202 0.002 10 0 "[ . 1]" 1
372 1 34 GLU HA 1 35 THR H 5.500 . 5.500 3.530 3.428 3.581 . 0 0 "[ . 1]" 1
373 1 34 GLU QB 1 35 THR H 4.200 . 4.200 2.841 2.412 3.677 . 0 0 "[ . 1]" 1
374 1 35 THR H 1 35 THR MG 2.700 . 2.700 2.233 1.979 2.615 . 0 0 "[ . 1]" 1
375 1 35 THR HA 1 35 THR MG 3.300 . 3.300 2.936 2.324 3.189 . 0 0 "[ . 1]" 1
376 1 35 THR MG 1 37 HIS H 5.500 . 5.500 3.270 2.014 5.024 . 0 0 "[ . 1]" 1
377 1 36 GLY H 1 37 HIS H . . 4.200 2.642 2.235 2.912 . 0 0 "[ . 1]" 1
378 1 36 GLY H 1 37 HIS QB 4.200 . 4.200 4.227 4.118 4.329 0.129 4 0 "[ . 1]" 1
379 1 36 GLY H 1 38 PHE QD 5.500 . 5.500 3.573 3.159 3.996 . 0 0 "[ . 1]" 1
380 1 36 GLY QA 1 37 HIS H 4.200 . 4.200 2.514 2.341 2.762 . 0 0 "[ . 1]" 1
381 1 36 GLY QA 1 38 PHE QE 4.200 . 4.200 2.581 2.419 3.134 . 0 0 "[ . 1]" 1
382 1 37 HIS H 1 37 HIS QB . . 3.300 2.898 2.692 3.004 . 0 0 "[ . 1]" 1
383 1 37 HIS H 1 38 PHE H 5.500 . 5.500 3.306 3.197 3.669 . 0 0 "[ . 1]" 1
384 1 37 HIS H 1 38 PHE QD 5.500 . 5.500 1.909 1.864 2.099 . 0 0 "[ . 1]" 1
385 1 37 HIS H 1 52 LEU MD2 5.500 . 5.500 4.255 3.590 4.666 . 0 0 "[ . 1]" 1
386 1 37 HIS HA 1 38 PHE H 3.300 . 3.300 2.282 2.214 2.319 . 0 0 "[ . 1]" 1
387 1 37 HIS QB 1 38 PHE H 4.200 . 4.200 3.955 3.826 4.036 . 0 0 "[ . 1]" 1
388 1 37 HIS QB 1 52 LEU MD1 3.300 . 3.300 3.329 3.306 3.364 0.064 9 0 "[ . 1]" 1
389 1 38 PHE H 1 38 PHE QD 3.300 . 3.300 3.170 2.845 3.301 0.001 6 0 "[ . 1]" 1
390 1 38 PHE H 1 39 HIS H 5.500 . 5.500 4.343 4.276 4.358 . 0 0 "[ . 1]" 1
391 1 38 PHE HA 1 39 HIS H . . 2.700 2.640 2.270 2.703 0.003 10 0 "[ . 1]" 1
392 1 38 PHE HA 1 47 PHE HA 4.200 . 4.200 3.078 2.611 3.450 . 0 0 "[ . 1]" 1
393 1 38 PHE HA 1 47 PHE QB 4.200 . 4.200 2.990 2.416 3.512 . 0 0 "[ . 1]" 1
394 1 38 PHE HA 1 48 ASP H 4.200 . 4.200 3.907 3.505 4.192 . 0 0 "[ . 1]" 1
395 1 38 PHE QB 1 39 HIS H . . 3.300 1.995 1.897 2.687 . 0 0 "[ . 1]" 1
396 1 38 PHE QB 1 45 PHE QE 4.200 . 4.200 2.908 2.200 3.320 . 0 0 "[ . 1]" 1
397 1 38 PHE QB 1 45 PHE HZ 5.500 . 5.500 3.234 2.604 4.111 . 0 0 "[ . 1]" 1
398 1 38 PHE QD 1 39 HIS H 4.200 . 4.200 2.824 2.579 3.730 . 0 0 "[ . 1]" 1
399 1 38 PHE QD 1 39 HIS HA 5.500 . 5.500 3.322 3.079 4.042 . 0 0 "[ . 1]" 1
400 1 38 PHE QD 1 40 ILE H 5.500 . 5.500 3.523 3.210 4.601 . 0 0 "[ . 1]" 1
401 1 38 PHE QD 1 40 ILE MD 5.500 . 5.500 3.610 2.263 4.176 . 0 0 "[ . 1]" 1
402 1 38 PHE QD 1 40 ILE QG 3.300 . 3.300 2.965 2.414 3.381 0.081 4 0 "[ . 1]" 1
403 1 38 PHE QD 1 46 ASP H 5.500 . 5.500 5.137 4.228 5.579 0.079 6 0 "[ . 1]" 1
404 1 38 PHE QE 1 40 ILE H 5.500 . 5.500 4.286 3.981 5.197 . 0 0 "[ . 1]" 1
405 1 38 PHE QE 1 40 ILE MD 3.300 . 3.300 2.599 2.119 3.470 0.170 1 0 "[ . 1]" 1
406 1 38 PHE QE 1 45 PHE QE 5.500 . 5.500 3.460 2.678 5.077 . 0 0 "[ . 1]" 1
407 1 39 HIS H 1 39 HIS QB . . 3.300 2.817 2.580 3.117 . 0 0 "[ . 1]" 1
408 1 39 HIS H 1 40 ILE HB 5.500 . 5.500 5.624 5.493 5.758 0.258 1 0 "[ . 1]" 1
409 1 39 HIS H 1 46 ASP H 4.200 . 4.200 4.103 3.908 4.252 0.052 10 0 "[ . 1]" 1
410 1 39 HIS H 1 47 PHE HA 5.500 . 5.500 3.524 3.208 3.915 . 0 0 "[ . 1]" 1
411 1 39 HIS H 1 47 PHE QB 5.500 . 5.500 3.467 2.733 4.153 . 0 0 "[ . 1]" 1
412 1 39 HIS HA 1 40 ILE H . . 2.700 2.154 2.123 2.332 . 0 0 "[ . 1]" 1
413 1 39 HIS QB 1 40 ILE H . . 3.300 3.307 2.993 3.421 0.121 4 0 "[ . 1]" 1
414 1 40 ILE H 1 40 ILE HB 4.200 . 4.200 2.228 2.116 2.503 . 0 0 "[ . 1]" 1
415 1 40 ILE H 1 40 ILE MG 3.300 . 3.300 3.391 2.526 3.667 0.367 6 0 "[ . 1]" 1
416 1 40 ILE HA 1 40 ILE MD 3.300 . 3.300 3.392 2.328 3.684 0.384 7 0 "[ . 1]" 1
417 1 40 ILE HA 1 40 ILE MG 3.300 . 3.300 2.773 2.427 3.157 . 0 0 "[ . 1]" 1
418 1 40 ILE HA 1 41 THR H . . 2.700 2.245 2.178 2.317 . 0 0 "[ . 1]" 1
419 1 40 ILE MD 1 45 PHE QD 3.300 . 3.300 3.005 2.314 3.419 0.119 2 0 "[ . 1]" 1
420 1 40 ILE MD 1 45 PHE QE 5.500 . 5.500 3.101 2.338 4.851 . 0 0 "[ . 1]" 1
421 1 40 ILE QG 1 45 PHE QD . . 3.300 2.569 2.192 3.323 0.023 1 0 "[ . 1]" 1
422 1 40 ILE MG 1 41 THR H 3.300 . 3.300 2.389 2.019 3.030 . 0 0 "[ . 1]" 1
423 1 40 ILE MG 1 41 THR HA . . 3.300 3.258 3.132 3.348 0.048 3 0 "[ . 1]" 1
424 1 41 THR H 1 41 THR MG 4.200 . 4.200 2.870 2.202 3.858 . 0 0 "[ . 1]" 1
425 1 41 THR H 1 44 THR H 5.500 . 5.500 3.374 3.174 3.639 . 0 0 "[ . 1]" 1
426 1 41 THR HA 1 41 THR MG 3.300 . 3.300 2.654 2.151 3.184 . 0 0 "[ . 1]" 1
427 1 41 THR HA 1 42 ASN H 4.200 . 4.200 2.576 2.147 2.883 . 0 0 "[ . 1]" 1
428 1 41 THR MG 1 42 ASN H 5.500 . 5.500 3.105 1.860 4.332 . 0 0 "[ . 1]" 1
429 1 41 THR MG 1 42 ASN QD 5.500 . 5.500 4.229 2.315 5.380 . 0 0 "[ . 1]" 1
430 1 41 THR MG 1 44 THR H 4.200 . 4.200 3.812 2.154 4.268 0.068 6 0 "[ . 1]" 1
431 1 42 ASN HA 1 43 THR H 5.500 . 5.500 3.493 3.369 3.570 . 0 0 "[ . 1]" 1
432 1 42 ASN QB 1 43 THR H . . 2.700 2.047 1.761 2.705 0.039 1 0 "[ . 1]" 1
433 1 42 ASN QB 1 43 THR MG 3.300 . 3.300 2.659 2.366 3.166 . 0 0 "[ . 1]" 1
434 1 43 THR H 1 43 THR MG 4.200 . 4.200 2.516 2.007 2.956 . 0 0 "[ . 1]" 1
435 1 43 THR H 1 44 THR H 3.300 . 3.300 2.573 2.495 2.670 . 0 0 "[ . 1]" 1
436 1 43 THR H 1 44 THR HA 5.500 . 5.500 4.729 4.687 4.775 . 0 0 "[ . 1]" 1
437 1 43 THR HA 1 43 THR MG 3.300 . 3.300 2.695 2.313 3.200 . 0 0 "[ . 1]" 1
438 1 43 THR HA 2 26 LEU QB 5.500 . 5.500 3.063 2.621 3.467 . 0 0 "[ . 1]" 1
439 1 43 THR HA 2 26 LEU MD1 4.200 . 4.200 2.908 2.529 3.316 . 0 0 "[ . 1]" 1
440 1 44 THR H 1 44 THR HB . . 4.200 2.989 2.752 3.656 . 0 0 "[ . 1]" 1
441 1 44 THR H 1 44 THR MG 4.200 . 4.200 3.899 3.564 4.014 . 0 0 "[ . 1]" 1
442 1 44 THR HA 1 44 THR MG 3.300 . 3.300 2.295 2.183 2.403 . 0 0 "[ . 1]" 1
443 1 44 THR HA 1 45 PHE H 3.300 . 3.300 2.171 2.139 2.210 . 0 0 "[ . 1]" 1
444 1 44 THR HA 2 24 ILE MD 5.500 . 5.500 5.826 5.758 5.876 0.376 7 0 "[ . 1]" 1
445 1 44 THR HA 2 25 GLU HA 4.200 . 4.200 2.940 2.440 3.233 . 0 0 "[ . 1]" 1
446 1 44 THR HA 2 26 LEU H 4.200 . 4.200 2.520 2.124 2.852 . 0 0 "[ . 1]" 1
447 1 44 THR HA 2 26 LEU QB 4.200 . 4.200 3.824 3.358 4.219 0.019 1 0 "[ . 1]" 1
448 1 44 THR HA 2 26 LEU MD2 4.200 . 4.200 3.858 3.532 4.091 . 0 0 "[ . 1]" 1
449 1 44 THR HB 1 45 PHE H 4.200 . 4.200 3.903 3.194 4.216 0.016 9 0 "[ . 1]" 1
450 1 44 THR MG 1 45 PHE H 3.300 . 3.300 2.401 2.059 3.330 0.030 8 0 "[ . 1]" 1
451 1 44 THR MG 2 23 CYS QB 3.300 . 3.300 2.632 2.168 3.282 . 0 0 "[ . 1]" 1
452 1 44 THR MG 2 25 GLU HA 4.200 . 4.200 2.668 2.202 3.345 . 0 0 "[ . 1]" 1
453 1 45 PHE H 1 46 ASP H 5.500 . 5.500 4.116 3.961 4.202 . 0 0 "[ . 1]" 1
454 1 45 PHE H 1 47 PHE QD 5.500 . 5.500 5.801 5.743 5.939 0.439 10 0 "[ . 1]" 1
455 1 45 PHE H 2 23 CYS HA 5.500 . 5.500 4.540 4.258 4.855 . 0 0 "[ . 1]" 1
456 1 45 PHE H 2 24 ILE H 4.200 . 4.200 3.141 2.894 3.324 . 0 0 "[ . 1]" 1
457 1 45 PHE H 2 24 ILE HB 5.500 . 5.500 3.054 2.812 3.445 . 0 0 "[ . 1]" 1
458 1 45 PHE H 2 24 ILE MD 4.200 . 4.200 4.189 4.089 4.258 0.058 2 0 "[ . 1]" 1
459 1 45 PHE H 2 24 ILE QG 5.500 . 5.500 4.706 4.132 5.152 . 0 0 "[ . 1]" 1
460 1 45 PHE H 2 24 ILE MG 5.500 . 5.500 4.180 3.894 4.464 . 0 0 "[ . 1]" 1
461 1 45 PHE H 2 25 GLU HA 5.500 . 5.500 4.262 3.880 4.451 . 0 0 "[ . 1]" 1
462 1 45 PHE H 2 26 LEU H 5.500 . 5.500 3.970 3.593 4.487 . 0 0 "[ . 1]" 1
463 1 45 PHE H 2 26 LEU MD2 5.500 . 5.500 3.464 3.249 3.670 . 0 0 "[ . 1]" 1
464 1 45 PHE HA 1 45 PHE QD 4.200 . 4.200 2.704 2.404 2.993 . 0 0 "[ . 1]" 1
465 1 45 PHE HA 1 46 ASP H . . 2.700 2.174 2.132 2.192 . 0 0 "[ . 1]" 1
466 1 45 PHE QB 1 45 PHE QE 4.200 . 4.200 3.958 3.946 3.970 . 0 0 "[ . 1]" 1
467 1 45 PHE QB 2 24 ILE H 5.500 . 5.500 3.583 3.002 4.456 . 0 0 "[ . 1]" 1
468 1 45 PHE QB 2 24 ILE HB 4.200 . 4.200 2.648 2.347 3.655 . 0 0 "[ . 1]" 1
469 1 45 PHE QB 2 24 ILE MD 4.200 . 4.200 2.682 2.268 3.851 . 0 0 "[ . 1]" 1
470 1 45 PHE QB 2 26 LEU MD2 . . 3.300 2.526 2.268 2.776 . 0 0 "[ . 1]" 1
471 1 45 PHE QD 1 46 ASP H 5.500 . 5.500 3.963 3.362 4.114 . 0 0 "[ . 1]" 1
472 1 45 PHE QD 2 24 ILE HB 4.200 . 4.200 3.816 2.582 4.326 0.126 7 0 "[ . 1]" 1
473 1 45 PHE QD 2 26 LEU MD2 4.200 . 4.200 3.794 3.364 4.222 0.022 9 0 "[ . 1]" 1
474 1 45 PHE QE 2 24 ILE MD 4.200 . 4.200 3.749 2.117 4.235 0.035 3 0 "[ . 1]" 1
475 1 46 ASP HA 1 47 PHE H . . 2.700 2.178 2.126 2.298 . 0 0 "[ . 1]" 1
476 1 46 ASP HA 1 47 PHE QD 4.200 . 4.200 3.129 2.675 3.481 . 0 0 "[ . 1]" 1
477 1 46 ASP HA 2 23 CYS HA 4.200 . 4.200 2.718 2.548 2.935 . 0 0 "[ . 1]" 1
478 1 46 ASP HA 2 24 ILE H 5.500 . 5.500 3.696 3.465 4.141 . 0 0 "[ . 1]" 1
479 1 46 ASP QB 1 47 PHE H 4.200 . 4.200 3.136 2.592 3.744 . 0 0 "[ . 1]" 1
480 1 46 ASP QB 2 23 CYS HA 5.500 . 5.500 3.461 2.567 4.427 . 0 0 "[ . 1]" 1
481 1 46 ASP QB 2 24 ILE H 5.500 . 5.500 4.808 4.152 5.442 . 0 0 "[ . 1]" 1
482 1 47 PHE H 1 47 PHE QD 3.300 . 3.300 2.630 2.588 2.692 . 0 0 "[ . 1]" 1
483 1 47 PHE H 2 21 LYS QG 5.500 . 5.500 4.028 2.803 5.555 0.055 7 0 "[ . 1]" 1
484 1 47 PHE H 2 22 VAL H 3.300 . 3.300 3.163 2.829 3.342 0.042 4 0 "[ . 1]" 1
485 1 47 PHE H 2 23 CYS HA 4.200 . 4.200 4.199 4.076 4.297 0.097 10 0 "[ . 1]" 1
486 1 47 PHE HA 1 47 PHE QD 4.200 . 4.200 3.711 3.699 3.720 . 0 0 "[ . 1]" 1
487 1 47 PHE HA 1 48 ASP H . . 2.700 2.352 2.254 2.444 . 0 0 "[ . 1]" 1
488 1 47 PHE QB 1 48 ASP H . . 3.300 2.556 2.347 2.752 . 0 0 "[ . 1]" 1
489 1 47 PHE QD 1 48 ASP H 3.300 . 3.300 3.432 3.398 3.459 0.159 4 0 "[ . 1]" 1
490 1 47 PHE QD 1 49 LEU MD2 . . 2.700 2.719 2.524 2.818 0.118 7 0 "[ . 1]" 1
491 1 47 PHE QD 1 52 LEU MD1 4.200 . 4.200 2.921 2.379 3.310 . 0 0 "[ . 1]" 1
492 1 47 PHE QD 2 22 VAL HB 5.500 . 5.500 3.446 3.396 3.546 . 0 0 "[ . 1]" 1
493 1 47 PHE QD 2 22 VAL MG1 3.300 . 3.300 3.491 3.450 3.526 0.226 2 0 "[ . 1]" 1
494 1 47 PHE QD 2 22 VAL MG2 4.200 . 4.200 4.328 4.255 4.388 0.188 1 0 "[ . 1]" 1
495 1 47 PHE QD 2 24 ILE QG 5.500 . 5.500 4.378 3.160 5.339 . 0 0 "[ . 1]" 1
496 1 48 ASP H 1 48 ASP QB . . 3.300 2.320 2.209 3.022 . 0 0 "[ . 1]" 1
497 1 48 ASP HA 1 49 LEU H . . 2.700 2.154 2.130 2.180 . 0 0 "[ . 1]" 1
498 1 48 ASP HA 1 50 CYS H 5.500 . 5.500 3.991 3.679 4.362 . 0 0 "[ . 1]" 1
499 1 48 ASP HA 2 21 LYS H 5.500 . 5.500 5.099 5.016 5.173 . 0 0 "[ . 1]" 1
500 1 48 ASP HA 2 21 LYS HA 3.300 . 3.300 2.417 2.406 2.427 . 0 0 "[ . 1]" 1
501 1 48 ASP HA 2 22 VAL H 4.200 . 4.200 3.455 3.290 3.632 . 0 0 "[ . 1]" 1
502 1 49 LEU H 1 49 LEU MD1 4.200 . 4.200 3.598 3.568 3.615 . 0 0 "[ . 1]" 1
503 1 49 LEU H 2 22 VAL H 5.500 . 5.500 4.289 4.074 4.514 . 0 0 "[ . 1]" 1
504 1 49 LEU H 2 22 VAL MG2 4.200 . 4.200 4.354 4.311 4.399 0.199 10 0 "[ . 1]" 1
505 1 49 LEU HA 1 49 LEU MD1 4.200 . 4.200 3.806 3.794 3.824 . 0 0 "[ . 1]" 1
506 1 49 LEU HA 1 49 LEU MD2 3.300 . 3.300 2.167 2.149 2.202 . 0 0 "[ . 1]" 1
507 1 49 LEU HA 1 52 LEU H 4.200 . 4.200 3.788 3.443 4.005 . 0 0 "[ . 1]" 1
508 1 49 LEU HA 1 52 LEU HG 5.500 . 5.500 5.235 4.615 5.509 0.009 8 0 "[ . 1]" 1
509 1 49 LEU QB 1 50 CYS H 4.200 . 4.200 2.598 2.241 2.915 . 0 0 "[ . 1]" 1
510 1 49 LEU MD1 2 22 VAL MG2 3.300 . 3.300 2.328 2.251 2.537 . 0 0 "[ . 1]" 1
511 1 49 LEU MD2 1 50 CYS H 5.500 . 5.500 4.315 4.297 4.343 . 0 0 "[ . 1]" 1
512 1 49 LEU MD2 2 22 VAL MG2 3.300 . 3.300 2.080 2.070 2.089 . 0 0 "[ . 1]" 1
513 1 49 LEU HG 2 20 LEU MD2 4.200 . 4.200 3.461 3.324 3.531 . 0 0 "[ . 1]" 1
514 1 49 LEU HG 2 21 LYS H 4.200 . 4.200 4.494 4.451 4.527 0.327 7 0 "[ . 1]" 1
515 1 49 LEU HG 2 22 VAL H 5.500 . 5.500 3.897 3.622 4.094 . 0 0 "[ . 1]" 1
516 1 50 CYS H 1 50 CYS QB . . 2.700 2.333 2.182 2.517 . 0 0 "[ . 1]" 1
517 1 50 CYS H 1 51 SER H 3.300 . 3.300 2.644 2.465 2.838 . 0 0 "[ . 1]" 1
518 1 50 CYS H 1 51 SER HA 5.500 . 5.500 5.056 4.905 5.238 . 0 0 "[ . 1]" 1
519 1 50 CYS H 2 20 LEU MD1 5.500 . 5.500 4.550 3.935 4.909 . 0 0 "[ . 1]" 1
520 1 50 CYS QB 2 19 ASN HA 4.200 . 4.200 4.082 3.887 4.226 0.026 5 0 "[ . 1]" 1
521 1 51 SER H 1 52 LEU H 2.700 . 2.700 2.281 2.138 2.488 . 0 0 "[ . 1]" 1
522 1 51 SER H 1 52 LEU HG 5.500 . 5.500 4.522 4.420 4.660 . 0 0 "[ . 1]" 1
523 1 52 LEU H 1 52 LEU QB 3.300 . 3.300 2.355 2.265 2.405 . 0 0 "[ . 1]" 1
524 1 52 LEU H 1 52 LEU MD1 3.300 . 3.300 2.751 2.356 3.088 . 0 0 "[ . 1]" 1
525 1 52 LEU H 1 52 LEU HG . . 2.700 2.765 2.736 2.806 0.106 7 0 "[ . 1]" 1
526 1 52 LEU H 1 53 ASP H 5.500 . 5.500 4.542 4.467 4.601 . 0 0 "[ . 1]" 1
527 1 52 LEU HA 1 52 LEU MD1 3.300 . 3.300 3.702 3.647 3.729 0.429 4 0 "[ . 1]" 1
528 1 52 LEU HA 1 53 ASP H . . 2.700 2.489 2.332 2.602 . 0 0 "[ . 1]" 1
529 1 52 LEU QB 1 53 ASP H 4.200 . 4.200 2.199 1.984 2.569 . 0 0 "[ . 1]" 1
530 1 52 LEU QB 1 56 THR HB 4.200 . 4.200 2.683 2.459 3.012 . 0 0 "[ . 1]" 1
531 1 52 LEU MD2 1 53 ASP H 3.300 . 3.300 3.202 2.899 3.393 0.093 10 0 "[ . 1]" 1
532 1 53 ASP H 1 53 ASP QB . . 3.300 2.460 2.087 2.767 . 0 0 "[ . 1]" 1
533 1 53 ASP H 1 56 THR HB 5.500 . 5.500 3.838 3.509 4.082 . 0 0 "[ . 1]" 1
534 1 53 ASP HA 1 54 LYS H . . 2.700 2.622 2.260 2.725 0.025 3 0 "[ . 1]" 1
535 1 53 ASP QB 1 54 LYS H . . 3.300 2.167 1.902 2.788 . 0 0 "[ . 1]" 1
536 1 53 ASP QB 1 55 THR H 5.500 . 5.500 2.710 2.525 2.943 . 0 0 "[ . 1]" 1
537 1 54 LYS H 1 54 LYS QB . . 2.700 2.482 2.317 2.716 0.016 5 0 "[ . 1]" 1
538 1 54 LYS H 1 54 LYS QD 3.300 . 3.300 3.077 1.874 3.719 0.419 5 0 "[ . 1]" 1
539 1 54 LYS H 1 55 THR H . . 3.300 2.498 2.402 2.865 . 0 0 "[ . 1]" 1
540 1 54 LYS HA 1 57 VAL H 4.200 . 4.200 2.854 2.816 2.900 . 0 0 "[ . 1]" 1
541 1 54 LYS HA 1 57 VAL HB . . 3.300 2.455 2.425 2.551 . 0 0 "[ . 1]" 1
542 1 54 LYS HA 1 57 VAL MG1 4.200 . 4.200 3.882 3.806 3.938 . 0 0 "[ . 1]" 1
543 1 54 LYS HA 1 57 VAL MG2 3.300 . 3.300 2.311 2.209 2.369 . 0 0 "[ . 1]" 1
544 1 54 LYS HA 1 58 ARG H 4.200 . 4.200 4.194 4.147 4.230 0.030 9 0 "[ . 1]" 1
545 1 54 LYS QB 1 55 THR H . . 3.300 2.792 2.420 3.384 0.084 5 0 "[ . 1]" 1
546 1 54 LYS QB 1 57 VAL H 4.200 . 4.200 4.276 4.247 4.306 0.106 1 0 "[ . 1]" 1
547 1 55 THR H 1 55 THR HB . . 2.700 2.531 2.325 2.723 0.023 3 0 "[ . 1]" 1
548 1 55 THR H 1 55 THR MG 4.200 . 4.200 3.448 2.012 3.755 . 0 0 "[ . 1]" 1
549 1 55 THR H 1 56 THR H 3.300 . 3.300 2.815 2.785 2.864 . 0 0 "[ . 1]" 1
550 1 55 THR HA 1 55 THR MG 3.300 . 3.300 2.522 2.301 3.181 . 0 0 "[ . 1]" 1
551 1 55 THR HA 1 58 ARG H 4.200 . 4.200 3.928 3.833 4.038 . 0 0 "[ . 1]" 1
552 1 55 THR HA 1 58 ARG QB 4.200 . 4.200 3.506 3.285 3.667 . 0 0 "[ . 1]" 1
553 1 55 THR HB 1 56 THR H 4.200 . 4.200 3.158 2.860 4.192 . 0 0 "[ . 1]" 1
554 1 55 THR MG 1 56 THR H 4.200 . 4.200 3.294 2.036 3.842 . 0 0 "[ . 1]" 1
555 1 56 THR H 1 56 THR HB 2.700 . 2.700 2.713 2.702 2.725 0.025 2 0 "[ . 1]" 1
556 1 56 THR H 1 56 THR MG 4.200 . 4.200 3.772 3.766 3.776 . 0 0 "[ . 1]" 1
557 1 56 THR HA 1 56 THR MG 3.300 . 3.300 2.256 2.247 2.271 . 0 0 "[ . 1]" 1
558 1 56 THR HB 1 57 VAL H 3.300 . 3.300 2.835 2.763 2.890 . 0 0 "[ . 1]" 1
559 1 56 THR MG 1 60 LEU H 5.500 . 5.500 3.382 3.314 3.510 . 0 0 "[ . 1]" 1
560 1 57 VAL H 1 57 VAL HB . . 2.700 2.405 2.367 2.461 . 0 0 "[ . 1]" 1
561 1 57 VAL H 1 57 VAL MG1 4.200 . 4.200 3.733 3.724 3.743 . 0 0 "[ . 1]" 1
562 1 57 VAL H 1 57 VAL MG2 . . 2.700 2.258 2.095 2.398 . 0 0 "[ . 1]" 1
563 1 57 VAL H 1 58 ARG H 3.300 . 3.300 2.685 2.645 2.726 . 0 0 "[ . 1]" 1
564 1 57 VAL HA 1 57 VAL MG1 3.300 . 3.300 2.379 2.346 2.407 . 0 0 "[ . 1]" 1
565 1 57 VAL HA 1 57 VAL MG2 3.300 . 3.300 2.311 2.274 2.360 . 0 0 "[ . 1]" 1
566 1 57 VAL HA 1 58 ARG H . . 4.200 3.542 3.530 3.549 . 0 0 "[ . 1]" 1
567 1 57 VAL HA 1 60 LEU H 4.200 . 4.200 3.576 3.459 3.639 . 0 0 "[ . 1]" 1
568 1 57 VAL HA 1 60 LEU QB 4.200 . 4.200 2.936 2.794 3.114 . 0 0 "[ . 1]" 1
569 1 57 VAL HA 1 60 LEU MD1 3.300 . 3.300 2.591 2.385 3.167 . 0 0 "[ . 1]" 1
570 1 57 VAL HB 1 58 ARG H . . 3.300 2.625 2.526 2.700 . 0 0 "[ . 1]" 1
571 1 57 VAL HB 1 58 ARG QG 4.200 . 4.200 3.303 3.210 3.436 . 0 0 "[ . 1]" 1
572 1 57 VAL MG1 1 58 ARG H 3.300 . 3.300 3.316 3.295 3.348 0.048 1 0 "[ . 1]" 1
573 1 57 VAL MG1 1 58 ARG HA 4.200 . 4.200 3.403 3.362 3.477 . 0 0 "[ . 1]" 1
574 1 57 VAL MG1 1 61 GLN QG 3.300 . 3.300 2.895 2.260 3.088 . 0 0 "[ . 1]" 1
575 1 57 VAL MG2 1 58 ARG H 4.200 . 4.200 3.927 3.850 3.985 . 0 0 "[ . 1]" 1
576 1 58 ARG H 1 58 ARG QG 3.300 . 3.300 2.312 1.886 2.473 . 0 0 "[ . 1]" 1
577 1 58 ARG H 1 59 LYS H 2.700 . 2.700 2.545 2.494 2.606 . 0 0 "[ . 1]" 1
578 1 58 ARG HA 1 58 ARG QD 3.300 . 3.300 2.603 2.178 3.429 0.129 5 0 "[ . 1]" 1
579 1 58 ARG HA 1 61 GLN H 4.200 . 4.200 3.715 3.677 3.765 . 0 0 "[ . 1]" 1
580 1 58 ARG HA 1 61 GLN QB 5.500 . 5.500 2.534 2.407 2.745 . 0 0 "[ . 1]" 1
581 1 58 ARG QB 1 59 LYS H 5.500 . 5.500 2.970 2.949 2.993 . 0 0 "[ . 1]" 1
582 1 59 LYS H 1 59 LYS HA . . 2.700 2.884 2.879 2.888 0.188 4 0 "[ . 1]" 1
583 1 59 LYS H 1 59 LYS QB . . 2.700 2.296 2.106 2.361 . 0 0 "[ . 1]" 1
584 1 59 LYS H 1 59 LYS QG . . 3.300 2.657 2.476 3.254 . 0 0 "[ . 1]" 1
585 1 59 LYS H 1 60 LEU H 3.300 . 3.300 2.510 2.452 2.594 . 0 0 "[ . 1]" 1
586 1 59 LYS H 1 61 GLN H 3.300 . 3.300 3.501 3.478 3.548 0.248 10 0 "[ . 1]" 1
587 1 59 LYS HA 1 62 SER H 4.200 . 4.200 3.472 3.194 3.609 . 0 0 "[ . 1]" 1
588 1 59 LYS QB 1 60 LEU H 4.200 . 4.200 2.348 2.290 2.474 . 0 0 "[ . 1]" 1
589 1 59 LYS QE 1 59 LYS QG . . 3.300 2.276 2.118 2.530 . 0 0 "[ . 1]" 1
590 1 60 LEU H 1 60 LEU QB 3.300 . 3.300 2.459 2.343 2.544 . 0 0 "[ . 1]" 1
591 1 60 LEU H 1 60 LEU HG 2.700 . 2.700 2.176 1.927 2.408 . 0 0 "[ . 1]" 1
592 1 60 LEU H 1 62 SER H 5.500 . 5.500 4.058 4.002 4.123 . 0 0 "[ . 1]" 1
593 1 60 LEU HA 1 60 LEU MD2 3.300 . 3.300 2.341 2.173 2.381 . 0 0 "[ . 1]" 1
594 1 60 LEU HA 1 60 LEU HG 4.200 . 4.200 2.672 2.499 3.101 . 0 0 "[ . 1]" 1
595 1 60 LEU HA 1 63 TYR H 4.200 . 4.200 4.133 4.068 4.208 0.008 2 0 "[ . 1]" 1
596 1 60 LEU HA 1 63 TYR QB 5.500 . 5.500 4.795 4.624 4.906 . 0 0 "[ . 1]" 1
597 1 60 LEU HA 1 63 TYR QD . . 3.300 3.389 3.302 3.449 0.149 9 0 "[ . 1]" 1
598 1 60 LEU QB 1 61 GLN H 4.200 . 4.200 2.866 2.826 2.882 . 0 0 "[ . 1]" 1
599 1 61 GLN H 1 61 GLN QB . . 3.300 2.152 2.080 2.234 . 0 0 "[ . 1]" 1
600 1 61 GLN H 1 61 GLN QG . . 3.300 2.896 2.646 3.117 . 0 0 "[ . 1]" 1
601 1 61 GLN H 1 62 SER H . . 2.700 2.508 2.385 2.563 . 0 0 "[ . 1]" 1
602 1 61 GLN HA 1 61 GLN QG 3.300 . 3.300 2.252 2.166 2.389 . 0 0 "[ . 1]" 1
603 1 61 GLN HA 1 64 LEU H 4.200 . 4.200 3.291 3.152 3.597 . 0 0 "[ . 1]" 1
604 1 61 GLN QB 1 62 SER H . . 3.300 3.059 3.034 3.084 . 0 0 "[ . 1]" 1
605 1 61 GLN HE22 1 61 GLN QG . . 3.300 3.282 3.272 3.307 0.007 1 0 "[ . 1]" 1
606 1 62 SER H 1 62 SER HA . . 2.700 2.727 2.718 2.746 0.046 7 0 "[ . 1]" 1
607 1 62 SER H 1 62 SER QB 3.300 . 3.300 2.398 2.231 2.527 . 0 0 "[ . 1]" 1
608 1 62 SER HA 1 65 GLU H 4.200 . 4.200 3.555 3.312 4.009 . 0 0 "[ . 1]" 1
609 1 62 SER HA 1 65 GLU QB 4.200 . 4.200 2.785 2.371 4.231 0.031 4 0 "[ . 1]" 1
610 1 62 SER HA 1 65 GLU QG 4.200 . 4.200 3.410 2.206 4.191 . 0 0 "[ . 1]" 1
611 1 63 TYR H 1 63 TYR QB . . 2.700 2.316 2.245 2.420 . 0 0 "[ . 1]" 1
612 1 63 TYR H 1 63 TYR QD 3.300 . 3.300 1.959 1.854 2.096 . 0 0 "[ . 1]" 1
613 1 63 TYR H 1 64 LEU H 3.300 . 3.300 2.708 2.632 2.831 . 0 0 "[ . 1]" 1
614 1 63 TYR H 1 64 LEU QD 3.300 . 3.300 3.346 3.302 3.380 0.080 1 0 "[ . 1]" 1
615 1 63 TYR HA 1 63 TYR QD . . 2.700 2.849 2.818 2.878 0.178 1 0 "[ . 1]" 1
616 1 63 TYR HA 1 64 LEU H 4.200 . 4.200 3.473 3.405 3.549 . 0 0 "[ . 1]" 1
617 1 63 TYR QB 1 64 LEU H 4.200 . 4.200 2.916 2.610 3.173 . 0 0 "[ . 1]" 1
618 1 64 LEU H 1 64 LEU QB . . 2.700 2.355 2.260 2.552 . 0 0 "[ . 1]" 1
619 1 64 LEU H 1 64 LEU QD 3.300 . 3.300 2.054 1.866 2.254 . 0 0 "[ . 1]" 1
620 1 64 LEU H 1 64 LEU HG 4.200 . 4.200 3.654 2.649 4.084 . 0 0 "[ . 1]" 1
621 1 64 LEU HA 1 64 LEU QD 3.300 . 3.300 2.387 2.022 3.036 . 0 0 "[ . 1]" 1
622 1 65 GLU H 1 65 GLU QB . . 2.700 2.275 2.137 2.456 . 0 0 "[ . 1]" 1
623 1 65 GLU H 1 65 GLU QG . . 3.300 2.801 2.219 3.485 0.185 9 0 "[ . 1]" 1
624 1 65 GLU H 1 66 THR H . . 2.700 2.411 2.138 2.740 0.040 4 0 "[ . 1]" 1
625 1 65 GLU HA 1 65 GLU QG 3.300 . 3.300 2.499 2.170 3.359 0.059 4 0 "[ . 1]" 1
626 1 65 GLU HA 1 66 THR H 3.300 . 3.300 3.348 3.311 3.465 0.165 4 0 "[ . 1]" 1
627 1 65 GLU QB 1 66 THR H 3.300 . 3.300 3.299 3.189 3.467 0.167 4 0 "[ . 1]" 1
628 1 66 THR H 1 66 THR HB 4.200 . 4.200 3.345 2.377 3.704 . 0 0 "[ . 1]" 1
629 1 66 THR H 1 66 THR MG 3.300 . 3.300 2.514 2.088 3.005 . 0 0 "[ . 1]" 1
630 1 67 SER H 1 67 SER QB 2.700 . 2.700 2.435 2.052 2.726 0.026 9 0 "[ . 1]" 1
631 1 67 SER H 1 68 GLY H 5.500 . 5.500 3.323 1.954 4.620 . 0 0 "[ . 1]" 1
632 1 67 SER HA 1 70 SER H 3.300 . 3.300 3.259 3.166 3.304 0.004 2 0 "[ . 1]" 1
633 1 68 GLY H 1 68 GLY QA . . 2.700 2.211 2.197 2.248 . 0 0 "[ . 1]" 1
634 1 68 GLY H 1 69 THR H 4.200 . 4.200 3.264 2.673 4.200 0.000 2 0 "[ . 1]" 1
635 1 68 GLY QA 1 69 THR H 4.200 . 4.200 2.507 2.226 2.858 . 0 0 "[ . 1]" 1
636 2 8 HIS HA 2 9 LEU H 4.200 . 4.200 2.542 2.166 3.567 . 0 0 "[ . 1]" 1
637 2 9 LEU HA 2 9 LEU QD 4.200 . 4.200 2.367 2.163 2.510 . 0 0 "[ . 1]" 1
638 2 9 LEU HA 2 10 GLU H 3.300 . 3.300 2.487 2.146 3.440 0.140 6 0 "[ . 1]" 1
639 2 10 GLU H 2 10 GLU QB . . 3.300 2.788 2.174 3.302 0.002 8 0 "[ . 1]" 1
640 2 10 GLU H 2 10 GLU QG 4.200 . 4.200 2.933 1.871 4.073 . 0 0 "[ . 1]" 1
641 2 10 GLU HA 2 11 ASP H . . 2.700 2.242 2.146 2.429 . 0 0 "[ . 1]" 1
642 2 11 ASP H 2 11 ASP QB . . 3.300 2.429 2.071 2.980 . 0 0 "[ . 1]" 1
643 2 11 ASP H 2 12 PRO QD 5.500 . 5.500 4.430 4.398 4.453 . 0 0 "[ . 1]" 1
644 2 11 ASP HA 2 12 PRO QD 3.300 . 3.300 2.197 2.195 2.200 . 0 0 "[ . 1]" 1
645 2 11 ASP QB 2 12 PRO QD 4.200 . 4.200 2.347 2.256 2.427 . 0 0 "[ . 1]" 1
646 2 12 PRO HA 2 12 PRO QD 3.300 . 3.300 3.301 3.152 3.325 0.025 7 0 "[ . 1]" 1
647 2 12 PRO HA 2 13 HIS H . . 3.300 2.657 2.242 3.304 0.004 6 0 "[ . 1]" 1
648 2 12 PRO QB 2 13 HIS H 5.500 . 5.500 2.772 2.146 3.733 . 0 0 "[ . 1]" 1
649 2 12 PRO QD 2 13 HIS H 5.500 . 5.500 4.518 3.038 5.017 . 0 0 "[ . 1]" 1
650 2 13 HIS H 2 13 HIS QB 3.300 . 3.300 2.886 2.260 3.265 . 0 0 "[ . 1]" 1
651 2 13 HIS HA 2 14 TYR H 4.200 . 4.200 2.802 2.181 3.574 . 0 0 "[ . 1]" 1
652 2 14 TYR H 2 14 TYR QB . . 3.300 2.716 2.047 3.327 0.027 5 0 "[ . 1]" 1
653 2 14 TYR HA 2 15 SER H 3.300 . 3.300 2.753 2.145 3.368 0.068 4 0 "[ . 1]" 1
654 2 15 SER HA 2 16 GLU H 3.300 . 3.300 2.423 2.159 3.136 . 0 0 "[ . 1]" 1
655 2 16 GLU H 2 16 GLU QB . . 3.300 2.711 2.158 3.298 . 0 0 "[ . 1]" 1
656 2 16 GLU H 2 16 GLU QG 4.200 . 4.200 3.556 2.367 4.293 0.093 7 0 "[ . 1]" 1
657 2 16 GLU H 2 17 LEU H . . 3.300 2.779 2.158 3.417 0.117 7 0 "[ . 1]" 1
658 2 16 GLU HA 2 16 GLU QG 3.300 . 3.300 2.359 2.285 2.412 . 0 0 "[ . 1]" 1
659 2 16 GLU QB 2 17 LEU H 4.200 . 4.200 2.581 1.857 3.892 . 0 0 "[ . 1]" 1
660 2 17 LEU H 2 17 LEU QB 2.700 . 2.700 2.532 2.282 2.943 0.243 7 0 "[ . 1]" 1
661 2 17 LEU H 2 17 LEU QD 4.200 . 4.200 2.521 1.831 3.027 . 0 0 "[ . 1]" 1
662 2 17 LEU H 2 17 LEU HG 3.300 . 3.300 2.367 1.862 2.789 . 0 0 "[ . 1]" 1
663 2 17 LEU HA 2 17 LEU QD 3.300 . 3.300 2.612 2.161 3.336 0.036 1 0 "[ . 1]" 1
664 2 17 LEU HA 2 18 THR H 2.700 . 2.700 2.454 2.147 2.792 0.092 6 0 "[ . 1]" 1
665 2 17 LEU QB 2 18 THR H 4.200 . 4.200 2.885 2.051 3.898 . 0 0 "[ . 1]" 1
666 2 17 LEU QB 2 18 THR MG 3.300 . 3.300 3.011 2.356 3.293 . 0 0 "[ . 1]" 1
667 2 17 LEU QD 2 18 THR H 4.200 . 4.200 3.551 3.086 4.312 0.112 6 0 "[ . 1]" 1
668 2 18 THR H 2 18 THR HB 4.200 . 4.200 3.537 2.534 4.030 . 0 0 "[ . 1]" 1
669 2 18 THR H 2 18 THR MG 3.300 . 3.300 2.376 1.973 2.960 . 0 0 "[ . 1]" 1
670 2 18 THR H 2 20 LEU H 5.500 . 5.500 5.173 4.709 5.556 0.056 4 0 "[ . 1]" 1
671 2 18 THR HA 2 18 THR MG 3.300 . 3.300 2.690 2.316 3.187 . 0 0 "[ . 1]" 1
672 2 18 THR HA 2 19 ASN H 2.700 . 2.700 2.390 2.212 2.730 0.030 5 0 "[ . 1]" 1
673 2 18 THR MG 2 19 ASN H 5.500 . 5.500 3.775 2.524 4.335 . 0 0 "[ . 1]" 1
674 2 19 ASN H 2 20 LEU H 5.500 . 5.500 1.632 1.596 1.650 0.204 2 0 "[ . 1]" 1
675 2 19 ASN H 2 20 LEU HA 3.300 . 3.300 3.651 3.640 3.661 0.361 3 0 "[ . 1]" 1
676 2 19 ASN QB 2 20 LEU H 4.200 . 4.200 3.813 3.628 3.982 . 0 0 "[ . 1]" 1
677 2 20 LEU H 2 20 LEU MD1 5.500 . 5.500 4.053 4.016 4.109 . 0 0 "[ . 1]" 1
678 2 20 LEU H 2 20 LEU MD2 4.200 . 4.200 3.962 3.857 4.077 . 0 0 "[ . 1]" 1
679 2 20 LEU H 2 20 LEU HG 5.500 . 5.500 2.909 2.798 3.036 . 0 0 "[ . 1]" 1
680 2 20 LEU H 2 21 LYS H 4.200 . 4.200 3.529 3.501 3.565 . 0 0 "[ . 1]" 1
681 2 20 LEU HA 2 20 LEU MD1 4.200 . 4.200 3.714 3.701 3.725 . 0 0 "[ . 1]" 1
682 2 20 LEU HA 2 20 LEU MD2 3.300 . 3.300 2.321 2.279 2.372 . 0 0 "[ . 1]" 1
683 2 20 LEU HA 2 21 LYS H 2.700 . 2.700 2.182 2.161 2.201 . 0 0 "[ . 1]" 1
684 2 21 LYS H 2 21 LYS QB . . 2.700 2.663 2.501 2.860 0.160 7 0 "[ . 1]" 1
685 2 21 LYS H 2 22 VAL H 5.500 . 5.500 4.324 4.263 4.396 . 0 0 "[ . 1]" 1
686 2 21 LYS HA 2 21 LYS QD 4.200 . 4.200 4.006 3.720 4.358 0.158 3 0 "[ . 1]" 1
687 2 21 LYS HA 2 22 VAL H . . 2.700 2.169 2.135 2.228 . 0 0 "[ . 1]" 1
688 2 21 LYS HA 2 22 VAL MG2 5.500 . 5.500 3.680 3.550 3.793 . 0 0 "[ . 1]" 1
689 2 21 LYS QB 2 21 LYS QE 4.200 . 4.200 3.001 2.029 3.687 . 0 0 "[ . 1]" 1
690 2 21 LYS QB 2 22 VAL H 4.200 . 4.200 3.438 2.917 3.744 . 0 0 "[ . 1]" 1
691 2 21 LYS QG 2 22 VAL H 4.200 . 4.200 2.950 2.084 3.853 . 0 0 "[ . 1]" 1
692 2 21 LYS QG 2 23 CYS H 5.500 . 5.500 5.078 4.719 5.504 0.004 6 0 "[ . 1]" 1
693 2 22 VAL H 2 22 VAL HB 4.200 . 4.200 2.358 2.275 2.423 . 0 0 "[ . 1]" 1
694 2 22 VAL H 2 22 VAL MG1 4.200 . 4.200 3.722 3.689 3.744 . 0 0 "[ . 1]" 1
695 2 22 VAL H 2 22 VAL MG2 3.300 . 3.300 2.680 2.574 2.800 . 0 0 "[ . 1]" 1
696 2 22 VAL H 2 23 CYS H 5.500 . 5.500 4.545 4.511 4.580 . 0 0 "[ . 1]" 1
697 2 22 VAL HA 2 22 VAL MG1 3.300 . 3.300 2.433 2.402 2.478 . 0 0 "[ . 1]" 1
698 2 22 VAL HA 2 22 VAL MG2 3.300 . 3.300 2.275 2.261 2.286 . 0 0 "[ . 1]" 1
699 2 22 VAL HA 2 23 CYS H . . 2.700 2.313 2.286 2.331 . 0 0 "[ . 1]" 1
700 2 22 VAL MG1 2 23 CYS H 3.300 . 3.300 1.820 1.799 1.836 0.001 8 0 "[ . 1]" 1
701 2 22 VAL MG1 2 24 ILE QG 3.300 . 3.300 2.222 2.155 2.339 . 0 0 "[ . 1]" 1
702 2 22 VAL MG2 2 23 CYS H 4.200 . 4.200 3.552 3.487 3.600 . 0 0 "[ . 1]" 1
703 2 22 VAL MG2 2 24 ILE QG 4.200 . 4.200 4.423 4.373 4.483 0.283 8 0 "[ . 1]" 1
704 2 23 CYS H 2 23 CYS QB . . 3.300 3.116 2.675 3.293 . 0 0 "[ . 1]" 1
705 2 23 CYS HA 2 24 ILE H . . 2.700 2.191 2.173 2.204 . 0 0 "[ . 1]" 1
706 2 23 CYS QB 2 24 ILE H . . 4.200 3.636 3.586 3.936 . 0 0 "[ . 1]" 1
707 2 24 ILE H 2 24 ILE HB . . 3.300 2.592 2.480 2.791 . 0 0 "[ . 1]" 1
708 2 24 ILE H 2 24 ILE MD 4.200 . 4.200 3.124 2.638 3.574 . 0 0 "[ . 1]" 1
709 2 24 ILE H 2 24 ILE QG 4.200 . 4.200 2.438 2.003 2.782 . 0 0 "[ . 1]" 1
710 2 24 ILE H 2 24 ILE MG 4.200 . 4.200 3.812 3.789 3.828 . 0 0 "[ . 1]" 1
711 2 24 ILE HA 2 24 ILE MD 4.200 . 4.200 3.867 3.761 3.942 . 0 0 "[ . 1]" 1
712 2 24 ILE HA 2 24 ILE QG . . 3.300 2.528 2.412 2.688 . 0 0 "[ . 1]" 1
713 2 24 ILE HA 2 24 ILE MG 3.300 . 3.300 2.300 2.232 2.329 . 0 0 "[ . 1]" 1
714 2 24 ILE HA 2 25 GLU H . . 2.700 2.177 2.161 2.198 . 0 0 "[ . 1]" 1
715 2 24 ILE HB 2 24 ILE MD 3.300 . 3.300 2.191 2.128 2.285 . 0 0 "[ . 1]" 1
716 2 24 ILE QG 2 24 ILE MG 3.300 . 3.300 2.148 2.064 2.225 . 0 0 "[ . 1]" 1
717 2 24 ILE QG 2 25 GLU H 5.500 . 5.500 4.331 4.180 4.510 . 0 0 "[ . 1]" 1
718 2 24 ILE MG 2 25 GLU H 3.300 . 3.300 2.801 2.504 3.099 . 0 0 "[ . 1]" 1
719 2 25 GLU H 2 25 GLU QB . . 2.700 2.285 2.053 2.652 . 0 0 "[ . 1]" 1
720 2 25 GLU H 2 25 GLU QG 3.300 . 3.300 2.786 1.939 3.343 0.043 2 0 "[ . 1]" 1
721 2 25 GLU H 2 28 GLY H 5.500 . 5.500 5.550 5.514 5.604 0.104 8 0 "[ . 1]" 1
722 2 25 GLU HA 2 26 LEU H 2.700 . 2.700 2.170 2.145 2.211 . 0 0 "[ . 1]" 1
723 2 25 GLU HA 2 27 THR H 5.500 . 5.500 3.283 3.092 3.455 . 0 0 "[ . 1]" 1
724 2 25 GLU HA 2 28 GLY H 5.500 . 5.500 5.019 4.674 5.275 . 0 0 "[ . 1]" 1
725 2 25 GLU QB 2 26 LEU H 5.500 . 5.500 3.602 3.367 3.795 . 0 0 "[ . 1]" 1
726 2 25 GLU QB 2 27 THR H 5.500 . 5.500 2.765 2.535 3.325 . 0 0 "[ . 1]" 1
727 2 25 GLU QG 2 26 LEU H 5.500 . 5.500 3.893 3.543 4.200 . 0 0 "[ . 1]" 1
728 2 25 GLU QG 2 27 THR H 3.300 . 3.300 3.279 3.012 3.378 0.078 2 0 "[ . 1]" 1
729 2 26 LEU H 2 26 LEU QB . . 3.300 2.505 2.411 2.604 . 0 0 "[ . 1]" 1
730 2 26 LEU H 2 26 LEU MD2 4.200 . 4.200 3.199 2.826 3.504 . 0 0 "[ . 1]" 1
731 2 26 LEU H 2 27 THR H 4.200 . 4.200 2.576 2.439 2.690 . 0 0 "[ . 1]" 1
732 2 26 LEU HA 2 26 LEU MD2 3.300 . 3.300 2.186 2.169 2.206 . 0 0 "[ . 1]" 1
733 2 26 LEU HA 2 29 LEU MD1 4.200 . 4.200 3.106 2.711 4.200 0.000 4 0 "[ . 1]" 1
734 2 26 LEU QB 2 27 THR H 4.200 . 4.200 3.332 2.907 3.496 . 0 0 "[ . 1]" 1
735 2 26 LEU MD2 2 27 THR H 5.500 . 5.500 4.609 4.408 4.774 . 0 0 "[ . 1]" 1
736 2 26 LEU MD2 2 29 LEU HG 3.300 . 3.300 3.105 2.219 3.356 0.056 9 0 "[ . 1]" 1
737 2 27 THR H 2 27 THR HB 4.200 . 4.200 3.292 2.278 3.595 . 0 0 "[ . 1]" 1
738 2 27 THR H 2 27 THR MG 3.300 . 3.300 2.452 1.968 3.309 0.009 10 0 "[ . 1]" 1
739 2 27 THR H 2 28 GLY H 5.500 . 5.500 2.613 2.423 2.742 . 0 0 "[ . 1]" 1
740 2 27 THR HA 2 27 THR MG 3.300 . 3.300 2.452 2.141 3.181 . 0 0 "[ . 1]" 1
741 2 27 THR HA 2 28 GLY H 4.200 . 4.200 3.476 3.427 3.522 . 0 0 "[ . 1]" 1
742 2 28 GLY H 2 28 GLY QA . . 2.700 2.245 2.221 2.270 . 0 0 "[ . 1]" 1
743 2 28 GLY H 2 29 LEU H 4.200 . 4.200 2.535 2.241 2.835 . 0 0 "[ . 1]" 1
744 2 28 GLY H 2 29 LEU MD2 5.500 . 5.500 3.740 2.788 4.591 . 0 0 "[ . 1]" 1
745 2 28 GLY QA 2 29 LEU H 4.200 . 4.200 2.672 2.452 2.906 . 0 0 "[ . 1]" 1
746 2 29 LEU H 2 29 LEU QB . . 2.700 2.667 2.218 2.834 0.134 8 0 "[ . 1]" 1
747 2 29 LEU H 2 29 LEU MD2 4.200 . 4.200 2.332 1.821 3.028 . 0 0 "[ . 1]" 1
748 2 29 LEU H 2 29 LEU HG 4.200 . 4.200 2.242 1.953 4.079 . 0 0 "[ . 1]" 1
749 2 29 LEU H 2 30 HIS H 4.200 . 4.200 4.129 3.424 4.321 0.121 5 0 "[ . 1]" 1
750 2 29 LEU HA 2 29 LEU MD2 3.300 . 3.300 2.808 2.150 3.442 0.142 7 0 "[ . 1]" 1
751 2 29 LEU HA 2 30 HIS H . . 3.300 2.595 2.164 3.405 0.105 7 0 "[ . 1]" 1
752 2 29 LEU QB 2 30 HIS H 4.200 . 4.200 2.763 1.727 3.757 0.073 9 0 "[ . 1]" 1
753 2 29 LEU MD1 2 31 PRO HD2 4.200 . 4.200 4.191 3.638 4.354 0.154 9 0 "[ . 1]" 1
754 2 29 LEU MD2 2 30 HIS QB 5.500 . 5.500 5.383 4.641 5.559 0.059 10 0 "[ . 1]" 1
755 2 30 HIS H 2 30 HIS QB . . 3.300 2.953 2.656 3.360 0.060 3 0 "[ . 1]" 1
756 2 30 HIS HA 2 31 PRO QD 2.700 . 2.700 2.356 2.262 2.448 . 0 0 "[ . 1]" 1
757 2 30 HIS QB 2 31 PRO QD 4.200 . 4.200 3.816 3.782 3.854 . 0 0 "[ . 1]" 1
758 2 31 PRO HA 2 32 LYS H . . 2.700 2.294 2.167 2.544 . 0 0 "[ . 1]" 1
759 2 31 PRO QB 2 32 LYS H 4.200 . 4.200 3.172 2.302 3.927 . 0 0 "[ . 1]" 1
760 2 32 LYS H 2 32 LYS QB . . 3.300 2.779 2.241 3.399 0.099 10 0 "[ . 1]" 1
761 2 32 LYS H 2 32 LYS QD 5.500 . 5.500 4.103 2.165 5.198 . 0 0 "[ . 1]" 1
762 2 32 LYS H 2 33 LYS H 5.500 . 5.500 4.202 3.322 4.639 . 0 0 "[ . 1]" 1
763 2 32 LYS HA 2 33 LYS H . . 2.700 2.332 2.175 2.706 0.006 5 0 "[ . 1]" 1
764 2 33 LYS QE 2 33 LYS QG 3.300 . 3.300 2.196 2.132 2.331 . 0 0 "[ . 1]" 1
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