NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393462 |
1qjt   |
4491 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qjt
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 1206
_Distance_constraint_stats_list.Viol_count 2000
_Distance_constraint_stats_list.Viol_total 3317.979
_Distance_constraint_stats_list.Viol_max 0.660
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0553
_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 LEU 2.082 0.639 23 1 "[ . 1 . 2 + . 3]"
1 2 SER 4.426 0.639 23 1 "[ . 1 . 2 + . 3]"
1 3 LEU 1.496 0.160 16 0 "[ . 1 . 2 . 3]"
1 4 THR 3.598 0.201 18 0 "[ . 1 . 2 . 3]"
1 5 GLN 2.263 0.239 30 0 "[ . 1 . 2 . 3]"
1 6 LEU 0.302 0.063 16 0 "[ . 1 . 2 . 3]"
1 7 SER 4.032 0.201 18 0 "[ . 1 . 2 . 3]"
1 8 SER 1.772 0.239 30 0 "[ . 1 . 2 . 3]"
1 9 GLY 4.833 0.207 5 0 "[ . 1 . 2 . 3]"
1 10 ASN 1.792 0.122 16 0 "[ . 1 . 2 . 3]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 VAL 0.836 0.093 18 0 "[ . 1 . 2 . 3]"
1 13 TYR 2.421 0.164 6 0 "[ . 1 . 2 . 3]"
1 14 GLU 0.758 0.071 14 0 "[ . 1 . 2 . 3]"
1 15 LYS 0.801 0.093 18 0 "[ . 1 . 2 . 3]"
1 16 TYR 0.503 0.089 20 0 "[ . 1 . 2 . 3]"
1 17 TYR 0.398 0.089 20 0 "[ . 1 . 2 . 3]"
1 18 ARG 0.441 0.043 6 0 "[ . 1 . 2 . 3]"
1 19 GLN 0.068 0.024 11 0 "[ . 1 . 2 . 3]"
1 20 VAL 4.740 0.170 8 0 "[ . 1 . 2 . 3]"
1 21 GLU 0.274 0.031 5 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.055 0.023 19 0 "[ . 1 . 2 . 3]"
1 23 GLY 9.670 0.406 23 0 "[ . 1 . 2 . 3]"
1 24 ASN 3.371 0.280 19 0 "[ . 1 . 2 . 3]"
1 25 THR 0.420 0.121 19 0 "[ . 1 . 2 . 3]"
1 26 GLY 6.826 0.261 19 0 "[ . 1 . 2 . 3]"
1 27 ARG 0.144 0.047 24 0 "[ . 1 . 2 . 3]"
1 28 VAL 3.037 0.170 8 0 "[ . 1 . 2 . 3]"
1 29 LEU 0.723 0.111 28 0 "[ . 1 . 2 . 3]"
1 30 ALA 2.155 0.128 17 0 "[ . 1 . 2 . 3]"
1 31 LEU 0.424 0.077 17 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.287 0.040 30 0 "[ . 1 . 2 . 3]"
1 33 ALA 0.081 0.032 12 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.002 0.002 24 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.487 0.043 14 0 "[ . 1 . 2 . 3]"
1 36 PHE 2.194 0.105 24 0 "[ . 1 . 2 . 3]"
1 37 LEU 1.122 0.063 5 0 "[ . 1 . 2 . 3]"
1 38 LYS 2.337 0.479 21 0 "[ . 1 . 2 . 3]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 SER 0.769 0.047 30 0 "[ . 1 . 2 . 3]"
1 41 GLY 9.424 0.229 24 0 "[ . 1 . 2 . 3]"
1 42 LEU 5.791 0.229 24 0 "[ . 1 . 2 . 3]"
1 43 PRO 0.678 0.084 2 0 "[ . 1 . 2 . 3]"
1 44 ASP 1.688 0.077 28 0 "[ . 1 . 2 . 3]"
1 45 LEU 10.435 0.258 10 0 "[ . 1 . 2 . 3]"
1 46 ILE 4.522 0.258 10 0 "[ . 1 . 2 . 3]"
1 47 LEU 1.082 0.046 15 0 "[ . 1 . 2 . 3]"
1 48 GLY 1.586 0.077 28 0 "[ . 1 . 2 . 3]"
1 49 LYS 0.234 0.025 24 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.291 0.081 12 0 "[ . 1 . 2 . 3]"
1 51 TRP 0.089 0.017 16 0 "[ . 1 . 2 . 3]"
1 52 ASP 1.113 0.044 28 0 "[ . 1 . 2 . 3]"
1 53 LEU 0.105 0.029 12 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.429 0.040 26 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.374 0.044 28 0 "[ . 1 . 2 . 3]"
1 56 THR 0.003 0.003 13 0 "[ . 1 . 2 . 3]"
1 57 ASP 0.304 0.271 14 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 GLY 2.731 0.135 16 0 "[ . 1 . 2 . 3]"
1 61 VAL 4.452 0.135 16 0 "[ . 1 . 2 . 3]"
1 62 LEU 1.458 0.113 28 0 "[ . 1 . 2 . 3]"
1 63 SER 1.187 0.385 30 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.906 0.385 30 0 "[ . 1 . 2 . 3]"
1 65 GLN 1.632 0.193 30 0 "[ . 1 . 2 . 3]"
1 66 GLU 1.210 0.262 4 0 "[ . 1 . 2 . 3]"
1 67 PHE 0.357 0.102 30 0 "[ . 1 . 2 . 3]"
1 68 PHE 3.211 0.164 6 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.623 0.052 9 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.190 0.030 16 0 "[ . 1 . 2 . 3]"
1 71 LEU 1.915 0.181 9 0 "[ . 1 . 2 . 3]"
1 72 ARG 0.970 0.146 12 0 "[ . 1 . 2 . 3]"
1 73 LEU 0.579 0.100 12 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.433 0.081 12 0 "[ . 1 . 2 . 3]"
1 75 ALA 0.817 0.181 9 0 "[ . 1 . 2 . 3]"
1 76 CYS 0.064 0.031 9 0 "[ . 1 . 2 . 3]"
1 77 ALA 0.080 0.027 14 0 "[ . 1 . 2 . 3]"
1 78 GLN 1.551 0.098 15 0 "[ . 1 . 2 . 3]"
1 79 ASN 0.497 0.126 15 0 "[ . 1 . 2 . 3]"
1 80 GLY 7.418 0.270 22 0 "[ . 1 . 2 . 3]"
1 81 LEU 0.062 0.019 24 0 "[ . 1 . 2 . 3]"
1 82 GLU 1.437 0.178 24 0 "[ . 1 . 2 . 3]"
1 83 VAL 0.223 0.037 7 0 "[ . 1 . 2 . 3]"
1 84 SER 0.338 0.052 21 0 "[ . 1 . 2 . 3]"
1 85 LEU 0.459 0.052 21 0 "[ . 1 . 2 . 3]"
1 86 SER 0.813 0.097 28 0 "[ . 1 . 2 . 3]"
1 87 SER 0.384 0.097 28 0 "[ . 1 . 2 . 3]"
1 88 LEU 3.587 0.660 25 4 "[ . 1 . 2 +*-* 3]"
1 89 SER 4.087 0.660 25 4 "[ . 1 . 2 +*-* 3]"
1 90 LEU 1.050 0.059 28 0 "[ . 1 . 2 . 3]"
1 91 ALA 0.786 0.059 28 0 "[ . 1 . 2 . 3]"
1 92 VAL 0.161 0.040 30 0 "[ . 1 . 2 . 3]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 PRO 0.068 0.026 12 0 "[ . 1 . 2 . 3]"
1 96 ARG 3.627 0.279 9 0 "[ . 1 . 2 . 3]"
1 97 PHE 4.907 0.279 9 0 "[ . 1 . 2 . 3]"
1 98 HIS 2.637 0.583 24 1 "[ . 1 . 2 +. 3]"
1 99 ASP 1.863 0.583 24 1 "[ . 1 . 2 +. 3]"
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 LEU HA 1 1 LEU HB3 . . 3.070 2.497 2.313 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 LEU HA 1 1 LEU MD2 . . 3.930 2.283 1.926 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 LEU HA 1 2 SER H . . 3.000 2.882 2.509 3.639 0.639 23 1 "[ . 1 . 2 + . 3]" 1
4 1 1 LEU HB2 1 2 SER H . . 3.440 2.944 1.963 3.619 0.179 30 0 "[ . 1 . 2 . 3]" 1
5 1 1 LEU HB3 1 2 SER H . . 3.440 2.071 1.857 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 LEU MD1 1 2 SER H . . 5.240 4.061 3.592 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 1 LEU MD2 1 2 SER H . . 5.210 3.389 2.419 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 1 LEU MD2 1 5 GLN QB . . 5.270 3.551 1.700 4.015 0.100 20 0 "[ . 1 . 2 . 3]" 1
9 1 2 SER H 1 2 SER HA . . 2.880 2.716 2.589 2.918 0.038 1 0 "[ . 1 . 2 . 3]" 1
10 1 2 SER H 1 2 SER HB2 . . 3.640 3.143 2.172 3.793 0.153 20 0 "[ . 1 . 2 . 3]" 1
11 1 2 SER H 1 2 SER HB3 . . 3.860 3.402 2.704 3.921 0.061 27 0 "[ . 1 . 2 . 3]" 1
12 1 2 SER H 1 2 SER QB . . 3.600 2.813 2.151 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 SER H 1 3 LEU H . . 4.650 4.550 4.344 4.675 0.025 26 0 "[ . 1 . 2 . 3]" 1
14 1 2 SER H 1 5 GLN H . . 4.480 4.002 3.189 4.508 0.028 30 0 "[ . 1 . 2 . 3]" 1
15 1 2 SER H 1 5 GLN QB . . 4.500 3.337 2.716 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 SER H 1 65 GLN QG . . 4.660 3.937 2.969 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 SER HA 1 2 SER HB2 . . 2.960 2.885 2.358 3.047 0.087 13 0 "[ . 1 . 2 . 3]" 1
18 1 2 SER HA 1 2 SER HB3 . . 2.740 2.467 2.255 3.022 0.282 20 0 "[ . 1 . 2 . 3]" 1
19 1 2 SER HA 1 3 LEU H . . 2.690 2.539 2.338 2.850 0.160 16 0 "[ . 1 . 2 . 3]" 1
20 1 2 SER HA 1 4 THR H . . 4.700 4.299 4.068 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 SER HB2 1 3 LEU H . . 3.630 3.219 2.025 3.707 0.077 27 0 "[ . 1 . 2 . 3]" 1
22 1 2 SER HB3 1 3 LEU H . . 3.530 2.853 2.107 3.568 0.038 14 0 "[ . 1 . 2 . 3]" 1
23 1 2 SER QB 1 3 LEU H . . 3.160 2.491 2.012 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 SER QB 1 4 THR H . . 4.370 2.469 2.234 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 LEU H 1 3 LEU HA . . 2.930 2.741 2.648 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 LEU H 1 3 LEU HB2 . . 3.260 2.662 2.354 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 LEU H 1 3 LEU HB3 . . 3.720 3.524 3.459 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 LEU H 1 3 LEU QB . . 3.090 2.582 2.322 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 LEU H 1 3 LEU HG . . 2.520 2.143 1.903 2.524 0.004 2 0 "[ . 1 . 2 . 3]" 1
30 1 3 LEU H 1 3 LEU MD1 . . 5.340 3.633 2.393 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 LEU H 1 3 LEU MD2 . . 5.240 2.474 1.884 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 LEU H 1 4 THR H . . 3.120 2.763 2.339 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 LEU HA 1 3 LEU MD2 . . 4.150 2.015 1.922 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 LEU HB2 1 4 THR H . . 3.390 2.844 2.740 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 3 LEU HB3 1 4 THR H . . 3.980 3.975 3.837 4.061 0.081 20 0 "[ . 1 . 2 . 3]" 1
36 1 3 LEU QB 1 4 THR H . . 3.330 2.784 2.697 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 LEU QB 1 68 PHE QE . . 8.400 3.100 2.188 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 3 LEU HG 1 4 THR H . . 4.510 4.203 3.747 4.530 0.020 22 0 "[ . 1 . 2 . 3]" 1
39 1 3 LEU HG 1 65 GLN HA . . 4.620 4.200 2.696 4.644 0.024 18 0 "[ . 1 . 2 . 3]" 1
40 1 3 LEU MD1 1 4 THR H . . 6.330 4.790 4.012 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 3 LEU MD1 1 17 TYR QD . . 8.140 4.807 3.515 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 3 LEU MD1 1 17 TYR QE . . 8.480 4.977 3.739 5.756 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 3 LEU MD1 1 64 LYS QB . . 6.430 2.075 1.810 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 3 LEU MD1 1 64 LYS QG . . 7.260 2.862 1.923 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 3 LEU MD1 1 65 GLN HA . . 6.330 4.232 3.624 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 3 LEU MD1 1 67 PHE QD . . 8.560 5.025 4.194 5.840 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 3 LEU MD1 1 68 PHE H . . 6.330 4.918 4.436 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 3 LEU MD1 1 68 PHE HZ . . 6.330 3.263 2.338 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 3 LEU MD2 1 6 LEU MD1 . . 7.410 4.205 3.694 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 3 LEU MD2 1 64 LYS QB . . 6.730 2.289 1.937 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 3 LEU MD2 1 64 LYS HG2 . . 6.330 4.019 3.330 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 3 LEU MD2 1 64 LYS HG3 . . 6.330 4.129 3.135 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 3 LEU MD2 1 65 GLN H . . 5.460 2.604 2.002 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 3 LEU MD2 1 65 GLN HA . . 4.340 2.044 1.806 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 3 LEU MD2 1 65 GLN QB . . 7.250 3.209 2.477 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 3 LEU MD2 1 65 GLN HG2 . . 6.330 2.863 1.973 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 3 LEU MD2 1 65 GLN HG3 . . 6.330 3.239 1.975 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 3 LEU MD2 1 65 GLN QG . . 5.810 2.599 1.882 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 3 LEU MD2 1 68 PHE H . . 6.280 3.594 2.709 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 3 LEU MD2 1 68 PHE QE . . 8.560 3.288 2.538 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 4 THR H 1 4 THR HA . . 2.870 2.754 2.729 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 THR H 1 4 THR HB . . 3.750 2.570 2.196 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 4 THR H 1 5 GLN H . . 3.240 3.024 2.761 3.290 0.050 15 0 "[ . 1 . 2 . 3]" 1
64 1 4 THR HA 1 7 SER H . . 3.830 3.915 3.771 4.031 0.201 18 0 "[ . 1 . 2 . 3]" 1
65 1 4 THR MG 1 5 GLN H . . 5.790 3.080 1.826 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 4 THR MG 1 9 GLY H . . 5.670 3.910 2.831 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLN H 1 5 GLN HA . . 2.890 2.793 2.743 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 GLN H 1 5 GLN HB2 . . 3.100 2.050 2.018 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 GLN H 1 5 GLN HB3 . . 3.410 3.279 3.190 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 GLN H 1 5 GLN QB . . 2.730 2.030 1.999 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 GLN H 1 5 GLN QG . . 3.900 3.297 3.105 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 GLN H 1 6 LEU H . . 2.930 2.563 2.429 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 GLN HA 1 5 GLN HB2 . . 3.010 2.907 2.868 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 GLN HA 1 5 GLN HB3 . . 3.020 2.851 2.765 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 GLN HA 1 5 GLN QG . . 3.440 2.091 1.938 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 GLN HA 1 8 SER H . . 3.140 3.100 2.517 3.379 0.239 30 0 "[ . 1 . 2 . 3]" 1
77 1 5 GLN HB2 1 6 LEU H . . 3.360 3.293 3.039 3.423 0.063 16 0 "[ . 1 . 2 . 3]" 1
78 1 5 GLN HB3 1 6 LEU H . . 3.340 3.316 3.239 3.369 0.029 13 0 "[ . 1 . 2 . 3]" 1
79 1 5 GLN QB 1 6 LEU H . . 3.130 2.942 2.829 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 GLN QG 1 6 LEU H . . 5.210 4.603 4.477 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 6 LEU H 1 6 LEU HA . . 2.900 2.733 2.687 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 6 LEU H 1 6 LEU HB2 . . 2.880 2.094 1.988 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 LEU H 1 6 LEU HB3 . . 3.090 2.872 2.564 3.095 0.005 5 0 "[ . 1 . 2 . 3]" 1
84 1 6 LEU H 1 6 LEU QB . . 2.640 2.040 1.965 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 LEU H 1 7 SER H . . 2.960 2.830 2.654 3.007 0.047 6 0 "[ . 1 . 2 . 3]" 1
86 1 6 LEU H 1 68 PHE QD . . 7.480 5.196 4.284 5.905 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 LEU HA 1 6 LEU MD1 . . 4.560 2.531 1.957 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 6 LEU HA 1 6 LEU MD2 . . 4.010 2.150 1.914 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 LEU HB2 1 7 SER H . . 4.040 3.722 3.430 4.063 0.023 27 0 "[ . 1 . 2 . 3]" 1
90 1 6 LEU HB3 1 7 SER H . . 3.720 2.890 2.407 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 LEU QB 1 7 SER H . . 3.650 2.786 2.373 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 6 LEU MD1 1 68 PHE QB . . 6.110 3.158 1.893 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 6 LEU MD1 1 72 ARG H . . 6.330 4.130 3.218 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 LEU MD1 1 72 ARG QD . . 6.350 3.686 1.885 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 6 LEU MD2 1 69 VAL HA . . 4.190 3.160 2.721 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 SER H 1 7 SER HB2 . . 3.750 2.979 2.779 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 SER H 1 7 SER HB3 . . 3.750 3.678 3.141 3.944 0.194 6 0 "[ . 1 . 2 . 3]" 1
98 1 7 SER H 1 7 SER QB . . 3.520 2.854 2.675 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 7 SER H 1 8 SER H . . 2.850 2.484 1.910 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 7 SER H 1 8 SER HA . . 4.250 4.130 3.854 4.292 0.042 6 0 "[ . 1 . 2 . 3]" 1
101 1 7 SER H 1 10 ASN H . . 3.720 3.623 3.243 3.842 0.122 16 0 "[ . 1 . 2 . 3]" 1
102 1 7 SER H 1 68 PHE QD . . 7.480 5.221 3.949 5.548 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 7 SER HA 1 9 GLY H . . 5.250 4.096 4.008 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 7 SER HB2 1 9 GLY H . . 4.760 3.990 3.551 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 7 SER HB3 1 9 GLY H . . 4.760 4.001 3.046 4.808 0.048 6 0 "[ . 1 . 2 . 3]" 1
106 1 7 SER QB 1 9 GLY H . . 4.070 3.515 2.938 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 7 SER QB 1 10 ASN H . . 4.160 2.507 1.892 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 SER H 1 8 SER HA . . 2.520 2.179 2.169 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 SER H 1 9 GLY H . . 2.920 2.783 2.689 2.927 0.007 23 0 "[ . 1 . 2 . 3]" 1
110 1 8 SER HA 1 9 GLY H . . 3.220 3.073 2.968 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 SER QB 1 10 ASN QB . . 5.410 4.079 3.947 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 GLY H 1 9 GLY HA2 . . 2.740 2.875 2.828 2.947 0.207 5 0 "[ . 1 . 2 . 3]" 1
113 1 9 GLY H 1 9 GLY HA3 . . 3.070 2.277 2.251 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 GLY H 1 9 GLY QA . . 2.610 2.195 2.167 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 GLY H 1 10 ASN H . . 2.690 2.532 2.244 2.697 0.007 1 0 "[ . 1 . 2 . 3]" 1
116 1 9 GLY HA2 1 10 ASN H . . 3.610 3.629 3.572 3.645 0.035 27 0 "[ . 1 . 2 . 3]" 1
117 1 9 GLY HA3 1 10 ASN H . . 3.770 2.798 2.660 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 GLY QA 1 10 ASN H . . 3.340 2.708 2.598 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 ASN H 1 10 ASN HB2 . . 2.750 2.444 2.066 2.839 0.089 27 0 "[ . 1 . 2 . 3]" 1
120 1 10 ASN H 1 10 ASN HB3 . . 2.950 2.795 2.561 3.020 0.070 18 0 "[ . 1 . 2 . 3]" 1
121 1 10 ASN H 1 13 TYR QD . . 7.620 5.227 4.046 6.889 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 10 ASN HA 1 11 PRO QB . . 5.540 4.708 4.679 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 10 ASN HA 1 11 PRO HD2 . . 2.520 2.313 2.241 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 ASN HA 1 11 PRO HD3 . . 2.520 2.049 1.980 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 ASN HA 1 12 VAL H . . 4.460 3.475 3.238 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 10 ASN HB2 1 10 ASN HD22 . . 3.760 3.515 3.465 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 10 ASN HB3 1 10 ASN HD22 . . 3.870 3.784 3.618 3.874 0.004 8 0 "[ . 1 . 2 . 3]" 1
128 1 10 ASN QB 1 10 ASN HD22 . . 3.710 3.232 3.231 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 ASN QB 1 13 TYR QB . . 7.120 3.930 2.967 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 PRO HA 1 12 VAL H . . 3.660 3.321 3.222 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 PRO HA 1 12 VAL MG1 . . 5.600 4.320 4.089 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 PRO HA 1 13 TYR H . . 5.030 3.701 3.201 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 PRO HA 1 14 GLU H . . 3.780 2.850 2.753 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 PRO QB 1 12 VAL H . . 4.300 3.656 3.429 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 11 PRO QD 1 12 VAL H . . 3.990 2.493 2.280 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 12 VAL H 1 12 VAL HA . . 2.960 2.719 2.678 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 12 VAL H 1 12 VAL HB . . 2.540 2.361 2.240 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 12 VAL H 1 12 VAL MG1 . . 4.030 2.093 1.924 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 12 VAL H 1 12 VAL MG2 . . 4.560 3.691 3.659 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 VAL H 1 13 TYR H . . 3.100 2.866 2.691 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 VAL H 1 13 TYR QD . . 7.440 4.863 3.796 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 VAL HA 1 12 VAL HB . . 2.660 2.440 2.362 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 VAL HA 1 14 GLU QB . . 5.490 4.813 4.632 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 VAL HA 1 15 LYS H . . 3.620 3.616 3.466 3.713 0.093 18 0 "[ . 1 . 2 . 3]" 1
145 1 12 VAL HA 1 15 LYS QB . . 4.010 3.209 2.943 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 VAL HA 1 16 TYR QD . . 6.500 5.594 4.554 6.102 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 VAL HA 1 16 TYR QE . . 6.840 5.110 4.153 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 VAL HB 1 13 TYR H . . 4.290 3.950 3.846 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 VAL MG1 1 13 TYR H . . 4.830 2.010 1.835 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 VAL MG1 1 13 TYR QD . . 7.950 2.587 1.765 3.478 0.035 27 0 "[ . 1 . 2 . 3]" 1
151 1 12 VAL MG1 1 13 TYR QE . . 8.570 3.663 2.820 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 VAL MG1 1 16 TYR QE . . 8.110 3.767 3.231 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 VAL MG2 1 13 TYR H . . 5.070 3.674 3.258 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 VAL MG2 1 13 TYR QD . . 8.410 4.054 2.847 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 VAL MG2 1 16 TYR H . . 6.330 4.896 4.618 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 12 VAL MG2 1 16 TYR QE . . 7.560 2.793 1.963 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 13 TYR H 1 13 TYR HB2 . . 3.150 1.999 1.843 2.098 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 13 TYR H 1 13 TYR HB3 . . 3.370 3.305 2.843 3.393 0.023 7 0 "[ . 1 . 2 . 3]" 1
159 1 13 TYR H 1 13 TYR QB . . 2.890 1.983 1.831 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 TYR H 1 14 GLU H . . 3.030 2.629 2.599 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 TYR H 1 68 PHE QE . . 6.030 3.918 3.637 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 13 TYR H 1 68 PHE HZ . . 3.450 3.520 3.473 3.614 0.164 6 0 "[ . 1 . 2 . 3]" 1
163 1 13 TYR HA 1 16 TYR H . . 3.560 3.364 3.140 3.591 0.031 6 0 "[ . 1 . 2 . 3]" 1
164 1 13 TYR HA 1 71 LEU MD1 . . 4.790 3.760 3.437 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 13 TYR HB2 1 14 GLU H . . 3.420 2.792 2.516 3.421 0.001 6 0 "[ . 1 . 2 . 3]" 1
166 1 13 TYR HB3 1 14 GLU H . . 3.420 3.269 2.725 3.461 0.041 11 0 "[ . 1 . 2 . 3]" 1
167 1 13 TYR QB 1 14 GLU H . . 3.220 2.611 2.427 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 13 TYR QB 1 14 GLU HA . . 5.220 3.707 3.557 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 13 TYR QB 1 15 LYS H . . 6.170 4.561 4.379 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 13 TYR QB 1 68 PHE QD . . 8.400 3.474 3.284 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 13 TYR QB 1 68 PHE QE . . 8.240 2.209 1.944 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 13 TYR QD 1 14 GLU H . . 7.170 4.494 4.315 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 13 TYR QD 1 17 TYR QD . . 8.370 6.561 5.958 7.024 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 13 TYR QD 1 68 PHE QE . . 9.720 2.756 1.999 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 13 TYR QE 1 68 PHE HZ . . 6.520 5.990 5.888 6.095 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 13 TYR QE 1 72 ARG H . . 5.990 4.108 2.645 5.762 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 14 GLU H 1 14 GLU HB2 . . 2.710 2.030 2.019 2.081 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 14 GLU H 1 14 GLU HB3 . . 3.560 3.271 3.236 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 14 GLU H 1 14 GLU HG2 . . 3.750 3.571 3.279 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 GLU H 1 14 GLU HG3 . . 3.930 3.791 3.553 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 14 GLU H 1 14 GLU QG . . 3.630 3.268 3.026 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 GLU H 1 15 LYS H . . 2.920 2.779 2.664 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 14 GLU H 1 68 PHE QE . . 7.120 3.598 3.313 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 14 GLU H 1 68 PHE HZ . . 4.160 2.501 2.109 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 14 GLU HA 1 17 TYR H . . 4.020 3.183 2.936 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 14 GLU HA 1 17 TYR QB . . 4.320 2.003 1.931 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 14 GLU HA 1 17 TYR QE . . 7.490 5.268 4.821 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 14 GLU HA 1 18 ARG H . . 4.110 4.099 3.882 4.153 0.043 6 0 "[ . 1 . 2 . 3]" 1
189 1 14 GLU HA 1 68 PHE QE . . 6.690 2.627 2.198 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 14 GLU HA 1 68 PHE HZ . . 3.580 3.421 2.858 3.651 0.071 14 0 "[ . 1 . 2 . 3]" 1
191 1 14 GLU HB2 1 14 GLU HG2 . . 2.810 2.785 2.755 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 GLU HB2 1 14 GLU HG3 . . 2.570 2.276 2.271 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 GLU HB2 1 15 LYS H . . 3.390 3.290 3.058 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 GLU HB3 1 14 GLU HG2 . . 3.040 2.968 2.953 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 14 GLU HB3 1 14 GLU HG3 . . 2.810 2.785 2.755 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 GLU HB3 1 15 LYS H . . 3.430 3.150 2.973 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 GLU QB 1 15 LYS H . . 3.200 2.861 2.737 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 GLU QG 1 17 TYR QE . . 8.410 4.528 3.733 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 GLU QG 1 68 PHE QE . . 8.400 2.639 2.010 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 GLU QG 1 68 PHE HZ . . 5.710 3.223 2.866 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 15 LYS H 1 15 LYS HA . . 3.010 2.755 2.705 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 15 LYS H 1 15 LYS QB . . 3.580 2.103 1.982 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 15 LYS H 1 15 LYS HG2 . . 4.400 3.310 2.397 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 15 LYS H 1 15 LYS HG3 . . 4.400 3.674 2.777 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 15 LYS H 1 15 LYS QG . . 3.770 3.000 2.263 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 15 LYS H 1 16 TYR H . . 3.120 2.826 2.633 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 15 LYS H 1 68 PHE QE . . 6.320 5.528 5.223 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 15 LYS HA 1 15 LYS QG . . 3.710 2.741 2.131 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 15 LYS HA 1 16 TYR H . . 3.770 3.612 3.583 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 15 LYS HA 1 18 ARG QB . . 4.620 3.129 2.897 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 15 LYS HA 1 19 GLN H . . 4.970 4.723 4.562 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 LYS QB 1 16 TYR H . . 3.930 2.926 2.323 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 LYS HG2 1 16 TYR H . . 5.250 3.419 1.968 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 LYS HG3 1 16 TYR H . . 5.250 3.851 2.394 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 15 LYS QG 1 16 TYR H . . 4.550 3.102 1.935 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 TYR H 1 16 TYR HB2 . . 3.230 2.374 2.188 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 TYR H 1 16 TYR HB3 . . 3.620 3.444 3.428 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 TYR H 1 16 TYR QB . . 2.990 2.333 2.164 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 TYR H 1 17 TYR H . . 2.720 2.615 2.484 2.809 0.089 20 0 "[ . 1 . 2 . 3]" 1
220 1 16 TYR H 1 18 ARG QB . . 6.170 4.964 4.704 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 TYR HA 1 19 GLN H . . 3.830 2.980 2.831 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 TYR HA 1 19 GLN QB . . 4.910 2.291 1.977 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 TYR HA 1 19 GLN QG . . 6.170 2.557 2.195 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 TYR HA 1 36 PHE HZ . . 5.250 4.453 3.174 5.267 0.017 23 0 "[ . 1 . 2 . 3]" 1
225 1 16 TYR HB2 1 17 TYR H . . 3.700 2.341 2.125 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 TYR HB3 1 17 TYR H . . 3.700 3.544 3.283 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 TYR QB 1 17 TYR H . . 3.420 2.310 2.106 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 TYR QB 1 36 PHE HZ . . 5.270 2.499 2.146 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 TYR QB 1 71 LEU MD1 . . 6.000 3.018 2.555 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 16 TYR QD 1 71 LEU QB . . 8.420 5.872 4.809 6.908 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 TYR QD 1 71 LEU MD1 . . 7.540 3.308 2.311 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 TYR QD 1 71 LEU MD2 . . 8.460 4.333 3.642 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 TYR QD 1 97 PHE QD . . 9.720 5.513 4.828 6.096 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 TYR QE 1 97 PHE QD . . 8.760 5.689 4.944 6.388 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 TYR H 1 17 TYR QB . . 3.740 2.018 1.964 2.076 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 TYR H 1 18 ARG H . . 3.010 2.772 2.757 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 TYR H 1 67 PHE QD . . 6.360 4.878 4.252 5.540 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 TYR H 1 67 PHE QE . . 6.110 3.128 2.380 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 TYR H 1 68 PHE QE . . 6.470 4.476 3.971 5.100 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 TYR HA 1 20 VAL H . . 4.460 3.759 3.474 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 TYR HA 1 20 VAL MG2 . . 4.850 3.177 2.827 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 TYR QB 1 18 ARG H . . 4.180 2.849 2.614 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 TYR QB 1 68 PHE HZ . . 6.170 4.431 3.955 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 TYR QD 1 18 ARG H . . 6.000 3.328 2.525 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 TYR QD 1 18 ARG QG . . 8.420 4.560 3.597 5.766 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 TYR QD 1 27 ARG HA . . 7.500 6.622 6.048 6.945 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 TYR QD 1 28 VAL MG2 . . 8.580 3.178 2.593 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 TYR QD 1 68 PHE QE . . 9.500 3.820 3.368 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 TYR QE 1 18 ARG QG . . 8.410 5.098 3.650 6.656 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 TYR QE 1 28 VAL MG2 . . 7.890 2.635 1.931 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 ARG H 1 18 ARG HB2 . . 2.740 2.505 2.271 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 ARG H 1 18 ARG HB3 . . 2.740 2.594 2.382 2.751 0.011 15 0 "[ . 1 . 2 . 3]" 1
253 1 18 ARG H 1 18 ARG QB . . 2.470 2.258 2.165 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 ARG H 1 19 GLN H . . 3.010 2.295 2.134 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 ARG HA 1 18 ARG HB2 . . 2.620 2.575 2.457 2.659 0.039 15 0 "[ . 1 . 2 . 3]" 1
256 1 18 ARG HA 1 18 ARG HD2 . . 4.110 3.651 2.552 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 ARG HA 1 18 ARG HD3 . . 4.110 3.537 2.745 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 ARG HA 1 18 ARG QD . . 3.840 3.150 2.348 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 ARG HA 1 20 VAL H . . 5.250 4.040 3.768 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 ARG HA 1 21 GLU H . . 3.370 3.013 2.866 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ARG HA 1 21 GLU QB . . 5.130 2.234 2.006 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 ARG QB 1 18 ARG HE . . 4.130 3.234 2.366 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 ARG QB 1 19 GLN H . . 3.820 2.942 2.776 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 GLN H 1 19 GLN HA . . 2.960 2.772 2.766 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 GLN H 1 19 GLN HB2 . . 2.880 2.171 2.084 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 GLN H 1 19 GLN HB3 . . 3.610 3.454 3.386 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 GLN H 1 19 GLN QB . . 2.870 2.150 2.066 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 GLN H 1 19 GLN HG2 . . 3.490 3.385 3.150 3.514 0.024 11 0 "[ . 1 . 2 . 3]" 1
269 1 19 GLN H 1 19 GLN HG3 . . 3.440 3.020 2.449 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 GLN H 1 19 GLN QG . . 3.290 2.799 2.403 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 GLN H 1 20 VAL H . . 2.810 2.651 2.578 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 GLN H 1 20 VAL MG1 . . 6.330 3.602 3.508 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 GLN H 1 20 VAL MG2 . . 6.330 4.479 4.174 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 GLN HA 1 19 GLN HB2 . . 3.140 2.999 2.961 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 GLN HA 1 19 GLN HB3 . . 2.870 2.706 2.601 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 GLN HA 1 19 GLN HG2 . . 3.510 2.087 1.996 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 19 GLN HA 1 19 GLN HG3 . . 3.510 3.222 2.981 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 19 GLN HA 1 19 GLN QG . . 2.910 2.059 1.980 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 GLN HA 1 20 VAL H . . 3.760 3.577 3.541 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 GLN HB2 1 20 VAL H . . 3.530 2.987 2.788 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 GLN HB3 1 20 VAL H . . 3.640 3.512 3.270 3.658 0.018 30 0 "[ . 1 . 2 . 3]" 1
282 1 19 GLN QB 1 36 PHE QD . . 8.400 3.676 2.614 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 19 GLN HE22 1 19 GLN HG3 . . 4.160 3.784 3.581 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 GLN HE22 1 36 PHE QD . . 6.550 4.611 3.860 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 VAL H 1 20 VAL HB . . 3.650 3.528 3.491 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 VAL H 1 20 VAL MG2 . . 4.060 2.536 2.245 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 VAL H 1 21 GLU H . . 2.520 2.380 2.225 2.545 0.025 30 0 "[ . 1 . 2 . 3]" 1
288 1 20 VAL H 1 21 GLU HB2 . . 5.110 4.563 4.321 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 VAL H 1 21 GLU HB3 . . 5.110 4.614 4.395 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 VAL H 1 21 GLU QB . . 4.790 4.083 3.959 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 VAL H 1 67 PHE QE . . 5.670 4.667 4.150 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 VAL HA 1 20 VAL HB . . 2.520 2.276 2.252 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 VAL HA 1 21 GLU H . . 3.740 3.559 3.406 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 20 VAL HA 1 36 PHE QB . . 4.190 3.599 3.400 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 VAL HA 1 67 PHE QE . . 7.650 5.868 5.446 6.423 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 VAL HB 1 21 GLU H . . 4.460 4.188 3.891 4.487 0.027 6 0 "[ . 1 . 2 . 3]" 1
297 1 20 VAL HB 1 35 ALA H . . 4.600 4.601 4.392 4.643 0.043 14 0 "[ . 1 . 2 . 3]" 1
298 1 20 VAL HB 1 36 PHE H . . 3.530 3.549 3.504 3.579 0.049 30 0 "[ . 1 . 2 . 3]" 1
299 1 20 VAL MG1 1 21 GLU H . . 5.430 3.511 3.336 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 20 VAL MG1 1 30 ALA H . . 7.330 6.116 5.996 6.182 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 VAL MG1 1 33 ALA HA . . 4.940 2.286 1.960 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 VAL MG1 1 33 ALA MB . . 7.080 3.443 3.071 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 VAL MG1 1 36 PHE H . . 5.920 3.372 2.932 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 20 VAL MG1 1 36 PHE HA . . 5.130 4.024 3.892 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 20 VAL MG1 1 36 PHE QB . . 5.640 1.758 1.695 1.841 0.105 24 0 "[ . 1 . 2 . 3]" 1
306 1 20 VAL MG1 1 36 PHE QD . . 8.060 2.530 1.968 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 20 VAL MG2 1 21 GLU H . . 4.990 2.140 1.878 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 20 VAL MG2 1 28 VAL HA . . 6.330 3.521 3.248 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 20 VAL MG2 1 28 VAL MG1 . . 6.120 2.104 1.652 3.492 0.148 6 0 "[ . 1 . 2 . 3]" 1
310 1 20 VAL MG2 1 28 VAL MG2 . . 6.150 2.273 1.630 3.190 0.170 8 0 "[ . 1 . 2 . 3]" 1
311 1 20 VAL MG2 1 30 ALA H . . 6.330 3.553 3.366 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 20 VAL MG2 1 33 ALA HA . . 5.970 2.307 1.971 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 20 VAL MG2 1 36 PHE HB2 . . 6.330 4.333 4.028 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 20 VAL MG2 1 36 PHE HB3 . . 6.330 4.029 3.846 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 20 VAL MG2 1 62 LEU QB . . 5.900 4.260 4.161 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 20 VAL MG2 1 67 PHE QE . . 8.230 2.752 1.977 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 21 GLU H 1 21 GLU HA . . 2.980 2.691 2.636 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 21 GLU H 1 21 GLU HB2 . . 2.850 2.414 2.315 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 GLU H 1 21 GLU HB3 . . 2.890 2.571 2.390 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 21 GLU H 1 21 GLU HG2 . . 4.570 4.359 4.305 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 21 GLU H 1 21 GLU HG3 . . 4.510 4.469 4.363 4.541 0.031 5 0 "[ . 1 . 2 . 3]" 1
322 1 21 GLU H 1 22 ALA H . . 4.880 4.620 4.469 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 21 GLU HA 1 22 ALA H . . 2.570 2.283 2.202 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 21 GLU HA 1 28 VAL MG2 . . 4.560 2.773 1.948 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 21 GLU HG2 1 22 ALA H . . 3.640 2.199 1.945 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 21 GLU HG2 1 26 GLY H . . 4.160 3.898 2.821 4.172 0.012 5 0 "[ . 1 . 2 . 3]" 1
327 1 21 GLU HG2 1 27 ARG H . . 4.070 3.542 2.991 4.094 0.024 19 0 "[ . 1 . 2 . 3]" 1
328 1 21 GLU HG2 1 27 ARG HA . . 5.250 4.812 4.519 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 21 GLU HG3 1 22 ALA H . . 3.680 3.616 3.468 3.703 0.023 19 0 "[ . 1 . 2 . 3]" 1
330 1 21 GLU HG3 1 26 GLY H . . 4.180 3.802 3.049 4.207 0.027 19 0 "[ . 1 . 2 . 3]" 1
331 1 21 GLU HG3 1 27 ARG H . . 4.070 3.089 2.391 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 21 GLU HG3 1 27 ARG HA . . 5.250 3.589 3.235 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 21 GLU QG 1 22 ALA H . . 3.440 2.166 1.939 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 21 GLU QG 1 27 ARG H . . 3.650 2.897 2.343 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 GLU QG 1 27 ARG HA . . 4.410 3.491 3.184 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 22 ALA H 1 28 VAL HA . . 3.750 3.118 2.638 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 22 ALA H 1 28 VAL MG2 . . 6.330 4.409 3.566 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 22 ALA HA 1 23 GLY H . . 2.520 2.366 2.188 2.526 0.006 30 0 "[ . 1 . 2 . 3]" 1
339 1 23 GLY H 1 23 GLY HA2 . . 2.520 2.798 2.258 2.926 0.406 23 0 "[ . 1 . 2 . 3]" 1
340 1 23 GLY H 1 23 GLY HA3 . . 2.960 2.303 2.246 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 23 GLY HA2 1 24 ASN H . . 2.790 2.572 2.454 3.070 0.280 19 0 "[ . 1 . 2 . 3]" 1
342 1 23 GLY HA3 1 24 ASN H . . 2.740 2.679 2.271 2.801 0.061 18 0 "[ . 1 . 2 . 3]" 1
343 1 23 GLY QA 1 24 ASN H . . 2.590 2.316 2.214 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 23 GLY QA 1 25 THR H . . 5.130 3.396 2.889 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 24 ASN H 1 24 ASN HB2 . . 3.510 2.463 2.188 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 24 ASN H 1 24 ASN HB3 . . 3.510 3.312 2.869 3.557 0.047 19 0 "[ . 1 . 2 . 3]" 1
347 1 24 ASN H 1 24 ASN QB . . 3.290 2.377 2.165 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 24 ASN H 1 25 THR H . . 3.010 2.935 2.420 3.131 0.121 19 0 "[ . 1 . 2 . 3]" 1
349 1 24 ASN H 1 25 THR MG . . 5.190 3.190 2.464 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 24 ASN HA 1 24 ASN HD22 . . 4.030 4.034 3.991 4.084 0.054 19 0 "[ . 1 . 2 . 3]" 1
351 1 24 ASN HA 1 25 THR H . . 3.200 2.824 2.497 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 24 ASN HA 1 26 GLY H . . 3.920 3.707 3.269 4.181 0.261 19 0 "[ . 1 . 2 . 3]" 1
353 1 24 ASN HB2 1 24 ASN HD22 . . 4.020 3.787 3.445 4.027 0.007 17 0 "[ . 1 . 2 . 3]" 1
354 1 24 ASN HB3 1 24 ASN HD22 . . 3.900 3.667 3.447 4.043 0.143 19 0 "[ . 1 . 2 . 3]" 1
355 1 25 THR H 1 25 THR HB . . 4.110 3.434 2.544 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 25 THR H 1 25 THR MG . . 4.280 2.374 1.856 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 25 THR H 1 26 GLY H . . 3.150 2.118 1.817 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 25 THR HA 1 25 THR HB . . 2.590 2.503 2.376 2.633 0.043 17 0 "[ . 1 . 2 . 3]" 1
359 1 25 THR HA 1 26 GLY H . . 3.700 3.544 3.433 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 25 THR HB 1 26 GLY H . . 4.350 3.998 3.598 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 25 THR HB 1 27 ARG H . . 4.240 3.937 2.577 4.287 0.047 24 0 "[ . 1 . 2 . 3]" 1
362 1 25 THR MG 1 26 GLY H . . 5.600 3.506 1.936 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 25 THR MG 1 27 ARG H . . 5.750 3.765 1.782 4.633 0.018 17 0 "[ . 1 . 2 . 3]" 1
364 1 26 GLY H 1 26 GLY HA2 . . 2.710 2.922 2.874 2.959 0.249 18 0 "[ . 1 . 2 . 3]" 1
365 1 26 GLY H 1 26 GLY HA3 . . 3.040 2.328 2.270 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 26 GLY H 1 27 ARG H . . 3.070 2.283 2.018 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 26 GLY HA2 1 27 ARG H . . 3.610 3.456 3.112 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 26 GLY HA3 1 27 ARG H . . 3.610 3.202 2.995 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 27 ARG H 1 27 ARG QG . . 4.200 3.024 1.987 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 27 ARG H 1 28 VAL H . . 4.690 4.452 4.303 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 27 ARG HA 1 28 VAL H . . 2.600 2.369 2.250 2.609 0.009 14 0 "[ . 1 . 2 . 3]" 1
372 1 27 ARG HA 1 28 VAL HB . . 5.250 4.629 4.217 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 27 ARG QB 1 28 VAL H . . 3.930 2.855 2.233 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 27 ARG QB 1 61 VAL MG1 . . 5.420 2.244 1.901 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 27 ARG QG 1 28 VAL H . . 5.190 3.794 3.019 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 27 ARG QD 1 61 VAL MG1 . . 5.910 2.744 1.930 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 27 ARG QD 1 61 VAL MG2 . . 7.250 3.604 2.115 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 28 VAL H 1 28 VAL HB . . 2.880 2.466 2.186 2.982 0.102 25 0 "[ . 1 . 2 . 3]" 1
379 1 28 VAL H 1 28 VAL MG2 . . 4.780 2.680 2.026 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 28 VAL H 1 61 VAL MG1 . . 5.120 2.684 2.219 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 28 VAL H 1 62 LEU H . . 3.750 3.703 3.377 3.863 0.113 28 0 "[ . 1 . 2 . 3]" 1
382 1 28 VAL HA 1 29 LEU H . . 2.790 2.186 2.182 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 28 VAL MG1 1 29 LEU H . . 5.600 3.213 2.773 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 28 VAL MG1 1 33 ALA MB . . 5.280 2.346 1.858 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 28 VAL MG2 1 29 LEU H . . 6.330 3.925 2.834 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 28 VAL MG2 1 33 ALA MB . . 7.080 3.569 1.847 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 28 VAL MG2 1 62 LEU QB . . 5.640 3.153 2.117 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 29 LEU H 1 29 LEU HB2 . . 3.580 1.993 1.985 2.002 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 29 LEU H 1 29 LEU HB3 . . 3.580 3.256 3.240 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 29 LEU H 1 29 LEU QB . . 3.090 1.976 1.968 1.986 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 29 LEU H 1 29 LEU HG . . 3.420 3.408 3.328 3.436 0.016 13 0 "[ . 1 . 2 . 3]" 1
392 1 29 LEU HA 1 30 ALA H . . 3.660 3.425 3.402 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 29 LEU HA 1 31 LEU H . . 4.430 4.255 4.174 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 29 LEU HA 1 61 VAL MG1 . . 5.380 3.027 2.436 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 29 LEU HA 1 62 LEU H . . 4.570 4.523 4.164 4.681 0.111 28 0 "[ . 1 . 2 . 3]" 1
396 1 29 LEU HB2 1 30 ALA H . . 3.720 3.665 3.580 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 29 LEU HB3 1 30 ALA H . . 3.760 3.742 3.625 3.797 0.037 13 0 "[ . 1 . 2 . 3]" 1
398 1 29 LEU QB 1 30 ALA H . . 3.600 3.298 3.224 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 29 LEU QB 1 31 LEU H . . 4.450 2.893 2.724 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 29 LEU QB 1 32 ASP H . . 4.370 3.210 2.836 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 29 LEU QB 1 33 ALA H . . 5.760 4.833 4.552 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 29 LEU QD 1 30 ALA H . . 7.050 4.388 4.317 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 30 ALA H 1 30 ALA HA . . 2.930 2.243 2.224 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 30 ALA H 1 31 LEU H . . 3.500 3.472 3.334 3.577 0.077 17 0 "[ . 1 . 2 . 3]" 1
405 1 30 ALA H 1 61 VAL HA . . 3.620 3.675 3.584 3.748 0.128 17 0 "[ . 1 . 2 . 3]" 1
406 1 30 ALA H 1 61 VAL MG1 . . 5.110 4.157 4.099 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 30 ALA H 1 62 LEU MD1 . . 5.620 4.061 3.335 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 30 ALA HA 1 31 LEU H . . 3.800 3.635 3.623 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 30 ALA HA 1 33 ALA H . . 3.390 2.992 2.850 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 30 ALA HA 1 33 ALA MB . . 4.170 2.010 1.929 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 30 ALA HA 1 61 VAL HA . . 5.220 4.043 3.916 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 30 ALA MB 1 31 LEU H . . 4.340 2.363 2.278 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 30 ALA MB 1 51 TRP HZ2 . . 5.750 2.004 1.828 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 31 LEU H 1 31 LEU HA . . 2.840 2.690 2.666 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 31 LEU H 1 31 LEU HB2 . . 2.850 2.213 2.039 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 31 LEU H 1 31 LEU HB3 . . 3.630 3.476 3.346 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 31 LEU H 1 31 LEU QB . . 2.900 2.189 2.022 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 31 LEU H 1 31 LEU HG . . 3.710 3.646 3.429 3.726 0.016 27 0 "[ . 1 . 2 . 3]" 1
419 1 31 LEU H 1 31 LEU MD1 . . 5.340 3.278 1.965 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 31 LEU H 1 31 LEU MD2 . . 5.210 2.782 1.808 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 31 LEU H 1 32 ASP H . . 3.090 2.971 2.836 3.105 0.015 30 0 "[ . 1 . 2 . 3]" 1
422 1 31 LEU HA 1 31 LEU HB2 . . 3.120 2.969 2.889 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 31 LEU HA 1 31 LEU HB3 . . 2.820 2.674 2.592 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 31 LEU HA 1 31 LEU MD1 . . 3.750 2.562 2.096 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 31 LEU HA 1 34 ALA H . . 3.820 3.631 3.419 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 31 LEU HB2 1 32 ASP H . . 3.370 2.835 2.506 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 31 LEU HB3 1 32 ASP H . . 3.440 3.288 2.845 3.453 0.013 27 0 "[ . 1 . 2 . 3]" 1
428 1 31 LEU QB 1 32 ASP H . . 3.100 2.670 2.420 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 32 ASP H 1 32 ASP HB2 . . 3.260 2.046 2.002 2.100 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 32 ASP H 1 32 ASP HB3 . . 3.370 3.279 3.024 3.410 0.040 30 0 "[ . 1 . 2 . 3]" 1
431 1 32 ASP H 1 32 ASP QB . . 3.010 2.026 1.983 2.082 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 32 ASP H 1 33 ALA H . . 2.690 2.580 2.456 2.722 0.032 12 0 "[ . 1 . 2 . 3]" 1
433 1 32 ASP H 1 62 LEU MD1 . . 7.140 5.669 5.249 5.838 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 32 ASP HA 1 33 ALA H . . 3.740 3.609 3.571 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 32 ASP HA 1 35 ALA H . . 3.890 3.099 2.984 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 32 ASP HA 1 35 ALA MB . . 4.500 2.212 1.970 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 32 ASP HB2 1 33 ALA H . . 3.440 2.998 2.643 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 32 ASP HB3 1 33 ALA H . . 3.390 3.046 2.671 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 32 ASP QB 1 33 ALA H . . 3.270 2.670 2.490 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 33 ALA H 1 33 ALA HA . . 2.960 2.737 2.710 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 33 ALA H 1 34 ALA H . . 3.000 2.862 2.692 3.002 0.002 24 0 "[ . 1 . 2 . 3]" 1
442 1 33 ALA H 1 35 ALA H . . 4.700 3.908 3.756 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 33 ALA H 1 62 LEU MD1 . . 4.990 3.839 3.528 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 33 ALA H 1 62 LEU MD2 . . 6.830 5.694 5.635 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 33 ALA HA 1 36 PHE QB . . 4.020 2.741 2.394 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 33 ALA MB 1 34 ALA H . . 4.230 2.529 2.282 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 33 ALA MB 1 51 TRP HZ3 . . 4.250 2.454 1.976 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 33 ALA MB 1 51 TRP HZ2 . . 5.800 4.597 4.323 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 33 ALA MB 1 51 TRP HH2 . . 4.340 2.537 2.088 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 34 ALA H 1 34 ALA HA . . 2.930 2.799 2.746 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 34 ALA H 1 35 ALA H . . 2.820 2.599 2.420 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 34 ALA MB 1 35 ALA H . . 4.280 2.917 2.784 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 35 ALA H 1 35 ALA HA . . 3.010 2.830 2.785 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 35 ALA H 1 35 ALA MB . . 3.620 2.053 1.965 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 35 ALA H 1 36 PHE H . . 2.850 2.640 2.426 2.865 0.015 23 0 "[ . 1 . 2 . 3]" 1
456 1 35 ALA HA 1 38 LYS QB . . 5.350 2.944 2.566 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 35 ALA MB 1 36 PHE H . . 4.300 2.436 2.178 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 35 ALA MB 1 37 LEU H . . 6.220 4.384 4.180 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 36 PHE H 1 36 PHE HA . . 2.970 2.785 2.750 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 36 PHE H 1 36 PHE HB2 . . 2.690 2.465 2.226 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 36 PHE H 1 36 PHE HB3 . . 2.690 2.244 2.081 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 36 PHE H 1 37 LEU H . . 2.900 2.686 2.530 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 36 PHE H 1 37 LEU QB . . 5.610 4.587 4.458 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 36 PHE H 1 37 LEU HG . . 4.760 4.556 4.351 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 36 PHE HB2 1 37 LEU H . . 3.990 3.966 3.736 4.028 0.038 5 0 "[ . 1 . 2 . 3]" 1
466 1 36 PHE HB3 1 37 LEU H . . 3.530 2.661 2.400 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 36 PHE QB 1 37 LEU H . . 3.290 2.622 2.377 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 36 PHE QB 1 39 LYS QE . . 5.620 4.142 3.673 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 36 PHE QB 1 67 PHE QE . . 8.400 3.555 2.987 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 36 PHE QD 1 37 LEU H . . 6.690 3.466 2.632 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 36 PHE QD 1 37 LEU MD1 . . 7.720 4.553 4.011 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 36 PHE QD 1 37 LEU MD2 . . 7.520 3.051 2.470 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 36 PHE QD 1 39 LYS QB . . 6.980 3.777 2.623 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 36 PHE QD 1 67 PHE QE . . 8.040 3.010 2.036 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 36 PHE QD 1 97 PHE QE . . 7.930 4.373 3.590 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 36 PHE QE 1 39 LYS QD . . 8.400 5.019 3.733 6.680 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 36 PHE QE 1 71 LEU MD2 . . 7.430 2.529 1.865 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 36 PHE HZ 1 67 PHE HZ . . 5.250 4.461 3.690 5.257 0.007 23 0 "[ . 1 . 2 . 3]" 1
479 1 36 PHE HZ 1 97 PHE QD . . 7.480 3.923 3.028 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 37 LEU H 1 37 LEU HA . . 2.890 2.788 2.723 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 37 LEU H 1 37 LEU HB2 . . 2.980 2.317 2.273 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 37 LEU H 1 37 LEU HB3 . . 3.720 3.516 3.507 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 37 LEU H 1 37 LEU QB . . 3.070 2.287 2.246 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 37 LEU H 1 37 LEU HG . . 2.710 2.440 2.274 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 37 LEU H 1 37 LEU MD1 . . 5.100 3.502 3.275 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 37 LEU H 1 37 LEU MD2 . . 5.240 3.621 3.463 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 37 LEU H 1 38 LYS H . . 3.090 2.718 2.511 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 37 LEU H 1 38 LYS QB . . 6.140 4.491 4.281 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 37 LEU HA 1 37 LEU QB . . 2.750 2.418 2.408 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 37 LEU HA 1 37 LEU MD1 . . 4.650 3.860 3.829 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 37 LEU HA 1 37 LEU MD2 . . 3.930 2.130 1.971 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 37 LEU HA 1 97 PHE QE . . 5.210 2.400 2.010 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 37 LEU HB2 1 38 LYS H . . 3.150 2.661 2.612 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 37 LEU HB3 1 38 LYS H . . 3.550 3.520 3.474 3.582 0.032 5 0 "[ . 1 . 2 . 3]" 1
495 1 37 LEU QB 1 38 LYS H . . 2.920 2.586 2.541 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 37 LEU QB 1 40 SER HG . . 6.170 3.839 3.434 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 37 LEU HG 1 38 LYS H . . 4.540 4.568 4.547 4.603 0.063 5 0 "[ . 1 . 2 . 3]" 1
498 1 37 LEU MD1 1 70 ALA MB . . 5.390 2.565 1.875 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 37 LEU MD1 1 97 PHE QE . . 8.180 5.289 4.917 5.787 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 37 LEU MD2 1 71 LEU MD2 . . 5.170 2.622 1.817 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 37 LEU MD2 1 74 VAL MG2 . . 5.270 2.312 1.860 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 37 LEU MD2 1 97 PHE QE . . 6.700 3.109 2.703 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 38 LYS H 1 38 LYS HA . . 2.800 2.741 2.714 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 38 LYS H 1 38 LYS QB . . 3.520 2.225 2.122 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 38 LYS H 1 38 LYS HG2 . . 3.450 3.014 2.326 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 38 LYS H 1 38 LYS HG3 . . 3.310 2.917 2.508 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 38 LYS H 1 38 LYS QG . . 3.070 2.604 2.259 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 38 LYS H 1 38 LYS QE . . 6.170 4.628 4.174 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 38 LYS H 1 39 LYS H . . 3.040 2.750 2.710 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 38 LYS HA 1 38 LYS HG2 . . 3.660 2.339 2.000 4.139 0.479 21 0 "[ . 1 . 2 . 3]" 1
511 1 38 LYS HA 1 38 LYS HG3 . . 3.660 3.353 3.075 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 38 LYS HA 1 38 LYS QG . . 3.480 2.237 1.981 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 38 LYS HA 1 38 LYS QD . . 4.010 3.312 2.708 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 38 LYS HA 1 39 LYS H . . 3.710 3.493 3.474 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 38 LYS HA 1 47 LEU MD1 . . 3.960 2.566 2.078 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 38 LYS QG 1 47 LEU MD1 . . 5.640 2.650 2.002 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 38 LYS QD 1 47 LEU MD1 . . 6.240 3.432 2.112 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 39 LYS H 1 39 LYS HB2 . . 3.070 2.584 2.491 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 39 LYS H 1 39 LYS HB3 . . 3.720 3.575 3.541 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 39 LYS H 1 39 LYS QB . . 3.130 2.527 2.444 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 39 LYS H 1 39 LYS HG2 . . 2.980 2.626 1.947 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 39 LYS H 1 39 LYS HG3 . . 2.980 2.413 2.005 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 39 LYS H 1 39 LYS QG . . 2.620 2.116 1.922 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 39 LYS H 1 39 LYS QD . . 4.440 4.001 3.734 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 39 LYS H 1 39 LYS QE . . 6.170 4.401 4.173 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 39 LYS H 1 40 SER H . . 2.980 2.687 2.558 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 39 LYS H 1 40 SER HG . . 4.840 4.500 4.157 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 39 LYS H 1 97 PHE QD . . 7.370 5.032 4.504 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 39 LYS HA 1 39 LYS QG . . 3.960 2.484 2.403 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 39 LYS HA 1 40 SER H . . 3.580 3.233 3.001 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 39 LYS HA 1 97 PHE QD . . 7.510 5.622 5.402 5.730 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 39 LYS HB2 1 40 SER H . . 4.810 3.813 3.166 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 39 LYS HB3 1 40 SER H . . 4.810 4.515 4.132 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 39 LYS QB 1 40 SER H . . 4.270 3.616 3.070 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 39 LYS QG 1 40 SER H . . 4.850 4.224 4.099 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 40 SER H 1 40 SER HA . . 2.930 2.830 2.704 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 40 SER H 1 40 SER HB2 . . 3.630 3.585 3.494 3.652 0.022 16 0 "[ . 1 . 2 . 3]" 1
538 1 40 SER H 1 40 SER HB3 . . 3.340 2.546 2.230 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 40 SER H 1 40 SER QB . . 3.110 2.494 2.206 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 40 SER H 1 40 SER HG . . 2.690 2.369 2.030 2.701 0.011 21 0 "[ . 1 . 2 . 3]" 1
541 1 40 SER H 1 41 GLY H . . 3.080 2.827 2.550 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 40 SER H 1 42 LEU H . . 4.600 4.571 4.404 4.647 0.047 30 0 "[ . 1 . 2 . 3]" 1
543 1 40 SER H 1 97 PHE QD . . 6.570 4.552 3.746 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 40 SER H 1 97 PHE QE . . 6.600 3.187 2.085 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 40 SER HA 1 40 SER HB2 . . 2.880 2.431 2.370 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 40 SER HA 1 40 SER HB3 . . 2.880 2.509 2.462 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 40 SER HA 1 40 SER QB . . 2.660 2.198 2.192 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 40 SER HA 1 41 GLY H . . 3.820 3.641 3.622 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 40 SER HA 1 97 PHE HA . . 4.040 4.011 2.858 4.078 0.038 22 0 "[ . 1 . 2 . 3]" 1
550 1 40 SER HA 1 97 PHE HZ . . 4.410 4.171 3.792 4.433 0.023 9 0 "[ . 1 . 2 . 3]" 1
551 1 40 SER HB2 1 74 VAL MG1 . . 5.070 2.050 1.802 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 40 SER HB3 1 74 VAL MG1 . . 5.070 2.668 2.002 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 40 SER QB 1 71 LEU MD2 . . 6.220 4.307 3.777 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 40 SER QB 1 74 VAL MG1 . . 4.860 1.973 1.759 2.225 0.041 14 0 "[ . 1 . 2 . 3]" 1
555 1 40 SER QB 1 74 VAL MG2 . . 6.380 3.272 2.547 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 40 SER QB 1 97 PHE QD . . 8.400 3.675 3.417 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 40 SER QB 1 97 PHE HZ . . 5.320 2.280 1.947 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 40 SER HG 1 41 GLY H . . 3.440 2.265 1.981 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 40 SER HG 1 42 LEU H . . 3.310 3.012 2.420 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 40 SER HG 1 42 LEU MD1 . . 6.330 4.446 3.805 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 40 SER HG 1 47 LEU MD2 . . 5.240 3.604 2.905 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 41 GLY H 1 41 GLY HA2 . . 2.770 2.903 2.861 2.943 0.173 12 0 "[ . 1 . 2 . 3]" 1
563 1 41 GLY H 1 41 GLY HA3 . . 3.080 2.672 2.580 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 41 GLY H 1 42 LEU H . . 2.880 2.010 1.878 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 41 GLY H 1 42 LEU QB . . 4.620 3.693 3.532 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 41 GLY H 1 42 LEU MD1 . . 5.960 4.777 4.164 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 41 GLY HA2 1 42 LEU H . . 3.640 3.049 2.924 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 41 GLY HA3 1 42 LEU H . . 3.380 3.561 3.501 3.609 0.229 24 0 "[ . 1 . 2 . 3]" 1
569 1 41 GLY QA 1 42 LEU H . . 3.390 2.883 2.805 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 42 LEU H 1 42 LEU HB2 . . 3.320 2.174 2.104 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 42 LEU H 1 42 LEU HB3 . . 3.510 3.463 3.416 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 42 LEU H 1 42 LEU QB . . 2.920 2.152 2.086 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 42 LEU H 1 42 LEU MD1 . . 4.580 3.308 2.189 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 42 LEU H 1 42 LEU MD2 . . 4.790 3.999 3.856 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 42 LEU HA 1 42 LEU MD2 . . 4.180 2.353 2.058 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 42 LEU HA 1 43 PRO HD2 . . 3.040 2.843 2.807 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 42 LEU HA 1 43 PRO HD3 . . 2.740 2.071 2.046 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 42 LEU HA 1 43 PRO QD . . 2.500 2.023 1.999 2.059 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 42 LEU MD2 1 43 PRO HD2 . . 4.580 2.106 1.920 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 42 LEU MD2 1 43 PRO HD3 . . 4.620 2.281 1.967 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 42 LEU MD2 1 43 PRO QD . . 4.370 1.925 1.731 2.797 0.069 14 0 "[ . 1 . 2 . 3]" 1
582 1 42 LEU MD2 1 78 GLN QG . . 5.640 3.247 2.547 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 43 PRO HA 1 44 ASP H . . 2.750 2.640 2.441 2.778 0.028 26 0 "[ . 1 . 2 . 3]" 1
584 1 43 PRO HA 1 45 LEU H . . 4.480 4.373 3.993 4.564 0.084 2 0 "[ . 1 . 2 . 3]" 1
585 1 43 PRO HB2 1 44 ASP H . . 3.340 2.250 1.956 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 43 PRO HB3 1 44 ASP H . . 3.380 3.207 3.102 3.392 0.012 4 0 "[ . 1 . 2 . 3]" 1
587 1 43 PRO QB 1 47 LEU H . . 6.170 4.297 4.114 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 43 PRO QD 1 44 ASP H . . 5.660 4.818 4.689 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 43 PRO QD 1 47 LEU H . . 6.170 4.015 3.748 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 44 ASP H 1 44 ASP HA . . 3.030 2.860 2.807 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 44 ASP H 1 44 ASP QB . . 3.630 2.367 2.052 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 44 ASP H 1 47 LEU QB . . 5.350 4.276 4.109 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 44 ASP H 1 47 LEU MD1 . . 5.810 4.381 3.942 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 44 ASP HA 1 45 LEU H . . 3.720 3.575 3.518 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 44 ASP HA 1 46 ILE H . . 5.330 4.884 4.583 5.363 0.033 26 0 "[ . 1 . 2 . 3]" 1
596 1 44 ASP HA 1 47 LEU H . . 3.530 3.347 3.218 3.548 0.018 26 0 "[ . 1 . 2 . 3]" 1
597 1 44 ASP HA 1 47 LEU QB . . 4.040 2.037 1.977 2.102 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 44 ASP HA 1 47 LEU MD1 . . 4.780 2.518 2.155 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 44 ASP HA 1 48 GLY H . . 3.740 3.791 3.760 3.817 0.077 28 0 "[ . 1 . 2 . 3]" 1
600 1 44 ASP QB 1 45 LEU H . . 3.910 2.953 2.606 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 45 LEU H 1 45 LEU HA . . 2.930 2.785 2.778 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 45 LEU H 1 45 LEU HB2 . . 3.530 3.196 3.007 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 45 LEU H 1 45 LEU HB3 . . 2.660 2.072 1.981 2.726 0.066 10 0 "[ . 1 . 2 . 3]" 1
604 1 45 LEU H 1 45 LEU QB . . 2.800 2.045 1.962 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 45 LEU H 1 45 LEU HG . . 3.760 3.691 1.940 3.997 0.237 29 0 "[ . 1 . 2 . 3]" 1
606 1 45 LEU H 1 45 LEU MD1 . . 5.340 4.171 3.607 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 45 LEU H 1 46 ILE H . . 3.110 2.897 2.776 3.179 0.069 26 0 "[ . 1 . 2 . 3]" 1
608 1 45 LEU H 1 47 LEU H . . 4.570 3.803 3.707 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 45 LEU HA 1 45 LEU HB2 . . 2.690 2.239 2.197 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 45 LEU HA 1 45 LEU HB3 . . 2.810 2.781 2.303 2.912 0.102 12 0 "[ . 1 . 2 . 3]" 1
611 1 45 LEU HA 1 45 LEU QB . . 2.440 2.138 2.118 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 45 LEU HA 1 45 LEU MD1 . . 4.730 3.153 2.361 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 45 LEU HA 1 47 LEU H . . 4.250 4.280 4.253 4.296 0.046 15 0 "[ . 1 . 2 . 3]" 1
614 1 45 LEU HA 1 48 GLY H . . 3.710 3.461 3.383 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 45 LEU HB2 1 45 LEU HG . . 2.890 2.875 2.635 3.032 0.142 12 0 "[ . 1 . 2 . 3]" 1
616 1 45 LEU HB2 1 46 ILE H . . 3.850 3.873 2.751 4.049 0.199 14 0 "[ . 1 . 2 . 3]" 1
617 1 45 LEU HB3 1 45 LEU HG . . 3.140 2.705 2.405 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 45 LEU HB3 1 46 ILE H . . 3.430 3.095 2.745 3.688 0.258 10 0 "[ . 1 . 2 . 3]" 1
619 1 45 LEU QB 1 46 ILE H . . 3.540 2.926 2.679 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 45 LEU HG 1 46 ILE H . . 3.290 2.182 1.914 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 46 ILE H 1 46 ILE HA . . 2.960 2.773 2.721 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 46 ILE H 1 46 ILE HB . . 2.520 2.338 2.207 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 46 ILE H 1 46 ILE HG12 . . 3.070 2.405 1.945 3.107 0.037 8 0 "[ . 1 . 2 . 3]" 1
624 1 46 ILE H 1 46 ILE HG13 . . 3.210 3.053 2.320 3.261 0.051 21 0 "[ . 1 . 2 . 3]" 1
625 1 46 ILE H 1 46 ILE MD . . 5.020 3.764 3.450 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 46 ILE H 1 47 LEU H . . 2.780 2.692 2.560 2.820 0.040 10 0 "[ . 1 . 2 . 3]" 1
627 1 46 ILE H 1 48 GLY H . . 4.770 4.386 4.243 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 46 ILE HA 1 46 ILE HG12 . . 4.130 2.526 2.172 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 46 ILE HA 1 46 ILE HG13 . . 4.130 3.607 3.281 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 46 ILE HA 1 46 ILE QG . . 3.640 2.478 2.144 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 46 ILE HA 1 46 ILE MD . . 4.090 2.593 2.172 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 46 ILE HA 1 49 LYS QB . . 4.110 3.170 2.953 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 46 ILE HB 1 46 ILE HG12 . . 3.010 2.708 2.563 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 46 ILE HB 1 46 ILE HG13 . . 3.010 2.286 2.248 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 46 ILE MG 1 50 ILE MD . . 5.230 3.083 2.741 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 46 ILE MG 1 77 ALA MB . . 5.300 2.126 1.773 2.723 0.027 14 0 "[ . 1 . 2 . 3]" 1
637 1 47 LEU H 1 47 LEU HA . . 2.980 2.801 2.783 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 47 LEU H 1 47 LEU HB2 . . 2.520 2.065 2.024 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 47 LEU H 1 47 LEU HB3 . . 3.510 3.376 3.321 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 47 LEU H 1 47 LEU MD1 . . 5.040 3.763 3.553 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 47 LEU H 1 47 LEU MD2 . . 4.980 3.962 3.783 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 47 LEU H 1 48 GLY H . . 3.070 2.719 2.642 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 47 LEU H 1 49 LYS H . . 4.400 4.235 4.113 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 47 LEU HA 1 47 LEU MD2 . . 3.620 2.053 1.940 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 LEU HA 1 50 ILE H . . 3.260 3.093 3.023 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 LEU HA 1 50 ILE HB . . 2.820 2.549 2.252 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 LEU HA 1 50 ILE MD . . 4.780 2.768 2.324 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 47 LEU HB2 1 48 GLY H . . 3.160 2.843 2.708 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 47 LEU HB3 1 48 GLY H . . 3.150 3.103 2.857 3.163 0.013 12 0 "[ . 1 . 2 . 3]" 1
650 1 47 LEU QB 1 83 VAL MG1 . . 7.060 5.309 5.282 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 47 LEU MD1 1 48 GLY H . . 5.860 4.596 4.458 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 48 GLY H 1 49 LYS H . . 3.150 2.997 2.886 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 48 GLY H 1 50 ILE H . . 4.740 4.335 4.251 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 48 GLY QA 1 51 TRP H . . 4.190 3.507 3.393 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 48 GLY QA 1 51 TRP QB . . 5.290 2.874 2.689 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 49 LYS H 1 49 LYS HA . . 2.930 2.795 2.775 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 49 LYS H 1 49 LYS HB2 . . 2.520 2.247 2.125 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 49 LYS H 1 49 LYS HB3 . . 3.630 3.491 3.431 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 49 LYS H 1 49 LYS HG2 . . 3.370 3.014 2.276 3.380 0.010 29 0 "[ . 1 . 2 . 3]" 1
660 1 49 LYS H 1 49 LYS HG3 . . 3.370 2.972 2.443 3.380 0.010 20 0 "[ . 1 . 2 . 3]" 1
661 1 49 LYS H 1 49 LYS QG . . 3.150 2.616 2.242 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 49 LYS H 1 50 ILE H . . 2.850 2.681 2.599 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 49 LYS HA 1 49 LYS HB2 . . 3.140 3.010 2.975 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 49 LYS HA 1 49 LYS HB3 . . 2.930 2.606 2.482 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 49 LYS HA 1 49 LYS QG . . 4.000 2.162 2.035 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 49 LYS HA 1 52 ASP H . . 3.520 3.513 3.446 3.545 0.025 24 0 "[ . 1 . 2 . 3]" 1
667 1 49 LYS HA 1 52 ASP QB . . 4.230 2.425 2.274 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 50 ILE H 1 50 ILE HA . . 2.910 2.767 2.749 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 50 ILE H 1 50 ILE HB . . 2.520 2.301 2.008 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 50 ILE H 1 50 ILE MG . . 4.390 3.666 3.391 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 50 ILE H 1 50 ILE QG . . 4.860 2.252 2.032 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 50 ILE H 1 50 ILE MD . . 4.780 3.709 3.539 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 50 ILE HA 1 50 ILE HB . . 3.110 3.004 2.899 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 50 ILE HA 1 50 ILE MG . . 3.600 2.538 2.430 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 ILE HA 1 53 LEU H . . 3.540 3.448 3.353 3.569 0.029 12 0 "[ . 1 . 2 . 3]" 1
676 1 50 ILE HA 1 54 ALA H . . 4.980 4.105 4.031 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 50 ILE HA 1 73 LEU MD1 . . 4.910 2.578 1.976 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 50 ILE HA 1 83 VAL MG1 . . 6.010 2.654 2.350 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 50 ILE HB 1 51 TRP H . . 2.970 2.525 2.420 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 50 ILE MG 1 51 TRP H . . 4.580 3.015 2.273 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 50 ILE MG 1 70 ALA HA . . 4.420 2.439 2.106 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 50 ILE MG 1 70 ALA MB . . 5.230 2.109 1.807 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 50 ILE MG 1 73 LEU QB . . 6.160 2.395 1.955 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 50 ILE MG 1 74 VAL MG2 . . 4.870 2.682 2.345 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 50 ILE MD 1 51 TRP H . . 6.140 4.543 4.429 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 50 ILE MD 1 70 ALA HA . . 5.020 3.934 3.459 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 50 ILE MD 1 74 VAL H . . 5.240 3.129 2.712 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 50 ILE MD 1 74 VAL HA . . 4.030 2.211 1.903 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 50 ILE MD 1 74 VAL MG1 . . 6.590 3.385 2.941 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 50 ILE MD 1 74 VAL MG2 . . 5.440 1.955 1.719 2.308 0.081 12 0 "[ . 1 . 2 . 3]" 1
691 1 50 ILE MD 1 77 ALA MB . . 6.290 2.973 2.584 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 51 TRP H 1 51 TRP HA . . 2.900 2.759 2.746 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 51 TRP H 1 51 TRP QB . . 3.580 2.157 2.134 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 51 TRP H 1 51 TRP HD1 . . 5.230 5.095 4.863 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 51 TRP H 1 51 TRP HE3 . . 4.740 4.280 4.103 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 51 TRP H 1 52 ASP H . . 2.950 2.845 2.797 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 51 TRP HA 1 51 TRP HE3 . . 4.450 3.431 3.070 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 51 TRP HA 1 51 TRP HE1 . . 5.510 5.407 5.282 5.513 0.003 16 0 "[ . 1 . 2 . 3]" 1
699 1 51 TRP HA 1 52 ASP H . . 3.830 3.641 3.633 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 51 TRP HA 1 54 ALA H . . 3.290 2.909 2.735 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 51 TRP HA 1 55 ASP H . . 3.610 3.325 3.093 3.627 0.017 16 0 "[ . 1 . 2 . 3]" 1
702 1 51 TRP QB 1 52 ASP H . . 3.870 2.350 2.263 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 51 TRP HD1 1 52 ASP H . . 3.940 3.801 3.419 3.954 0.014 14 0 "[ . 1 . 2 . 3]" 1
704 1 51 TRP HD1 1 54 ALA MB . . 5.700 4.416 3.981 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 52 ASP H 1 52 ASP HA . . 2.900 2.661 2.641 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 52 ASP H 1 52 ASP HB2 . . 2.880 2.107 2.029 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 52 ASP H 1 52 ASP HB3 . . 3.080 2.957 2.804 3.105 0.025 8 0 "[ . 1 . 2 . 3]" 1
708 1 52 ASP H 1 52 ASP QB . . 2.540 2.062 2.004 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 52 ASP H 1 53 LEU H . . 2.990 2.893 2.771 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 52 ASP H 1 54 ALA MB . . 6.330 4.537 4.324 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 52 ASP HA 1 54 ALA H . . 4.290 4.289 4.167 4.330 0.040 26 0 "[ . 1 . 2 . 3]" 1
712 1 52 ASP HA 1 55 ASP H . . 4.040 3.998 3.710 4.084 0.044 28 0 "[ . 1 . 2 . 3]" 1
713 1 52 ASP HA 1 55 ASP QB . . 4.260 3.125 2.861 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 52 ASP HB2 1 53 LEU H . . 3.570 3.520 3.334 3.589 0.019 8 0 "[ . 1 . 2 . 3]" 1
715 1 52 ASP HB3 1 53 LEU H . . 3.390 2.599 2.316 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 53 LEU H 1 53 LEU HA . . 2.980 2.863 2.811 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 53 LEU H 1 53 LEU HB2 . . 2.980 2.742 2.632 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 53 LEU H 1 53 LEU HB3 . . 2.820 2.267 2.159 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 53 LEU H 1 53 LEU QB . . 2.550 2.162 2.101 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 53 LEU H 1 53 LEU MD1 . . 4.770 3.746 3.511 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 53 LEU H 1 53 LEU MD2 . . 4.980 4.103 4.078 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 53 LEU H 1 54 ALA H . . 2.690 2.380 2.129 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 53 LEU HA 1 53 LEU MD2 . . 3.600 1.952 1.927 1.991 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 53 LEU QB 1 53 LEU HG . . 2.720 2.155 2.152 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 53 LEU QB 1 54 ALA H . . 3.920 2.988 2.872 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 53 LEU QB 1 73 LEU MD1 . . 5.720 2.978 2.388 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 53 LEU QB 1 84 SER HA . . 6.170 3.032 2.482 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 53 LEU HG 1 84 SER HA . . 5.250 2.278 1.989 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 53 LEU MD1 1 54 ALA H . . 4.640 3.146 2.920 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 53 LEU MD1 1 84 SER HA . . 4.300 3.502 3.399 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 53 LEU MD2 1 54 ALA H . . 5.210 4.243 4.083 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 54 ALA H 1 54 ALA HA . . 3.020 2.832 2.794 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 54 ALA HA 1 55 ASP H . . 3.820 3.640 3.636 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 54 ALA HA 1 69 VAL MG1 . . 4.410 3.523 3.335 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 54 ALA MB 1 55 ASP H . . 4.500 2.177 1.967 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 54 ALA MB 1 55 ASP HA . . 5.260 3.596 3.521 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 54 ALA MB 1 55 ASP QB . . 6.730 3.748 3.610 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 54 ALA MB 1 62 LEU MD2 . . 7.410 3.320 2.976 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 55 ASP H 1 55 ASP HB2 . . 2.760 2.439 2.269 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 55 ASP H 1 55 ASP HB3 . . 2.760 2.575 2.360 2.765 0.005 20 0 "[ . 1 . 2 . 3]" 1
741 1 55 ASP H 1 62 LEU MD2 . . 5.670 4.467 3.880 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 55 ASP HA 1 56 THR H . . 2.520 2.276 2.260 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 55 ASP HA 1 57 ASP H . . 4.380 3.926 3.747 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 55 ASP HA 1 62 LEU MD2 . . 4.780 3.753 3.170 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 55 ASP HB2 1 56 THR H . . 4.380 4.255 3.916 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 55 ASP HB3 1 56 THR H . . 4.380 4.263 4.114 4.383 0.003 13 0 "[ . 1 . 2 . 3]" 1
747 1 55 ASP QB 1 56 THR H . . 4.190 3.790 3.573 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 56 THR H 1 56 THR HA . . 3.030 2.858 2.761 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 56 THR H 1 56 THR HB . . 3.120 2.899 2.712 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 56 THR H 1 56 THR MG . . 4.750 3.870 3.686 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 56 THR H 1 57 ASP H . . 3.200 1.922 1.884 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 56 THR H 1 62 LEU MD2 . . 6.140 4.877 4.432 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 56 THR HA 1 57 ASP H . . 3.780 3.603 3.583 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 56 THR HB 1 57 ASP H . . 3.260 2.764 2.635 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 56 THR MG 1 57 ASP H . . 5.570 3.299 2.826 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 57 ASP H 1 57 ASP HA . . 2.850 2.717 2.632 2.883 0.033 27 0 "[ . 1 . 2 . 3]" 1
757 1 57 ASP H 1 57 ASP HB2 . . 3.170 2.271 2.059 3.441 0.271 14 0 "[ . 1 . 2 . 3]" 1
758 1 57 ASP H 1 57 ASP HB3 . . 3.030 2.762 2.466 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 57 ASP H 1 58 GLY H . . 3.100 2.849 2.647 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 57 ASP QB 1 62 LEU HA . . 4.900 4.433 4.354 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 59 LYS QG 1 61 VAL H . . 4.840 3.477 2.137 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 59 LYS QD 1 61 VAL H . . 5.490 3.926 2.119 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 60 GLY H 1 61 VAL H . . 3.070 2.761 2.220 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 60 GLY HA2 1 61 VAL H . . 3.760 2.927 2.601 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 60 GLY HA3 1 61 VAL H . . 3.510 3.555 3.036 3.645 0.135 16 0 "[ . 1 . 2 . 3]" 1
766 1 60 GLY QA 1 61 VAL H . . 3.220 2.762 2.548 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 61 VAL H 1 61 VAL HA . . 3.030 2.738 2.667 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 61 VAL H 1 61 VAL HB . . 3.130 2.703 2.133 3.175 0.045 30 0 "[ . 1 . 2 . 3]" 1
769 1 61 VAL HA 1 62 LEU H . . 2.690 2.321 2.278 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 61 VAL MG1 1 62 LEU H . . 5.210 1.969 1.859 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 62 LEU H 1 62 LEU HB2 . . 3.440 2.475 2.245 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 62 LEU H 1 62 LEU HB3 . . 3.740 3.634 3.481 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 62 LEU H 1 62 LEU HG . . 3.340 2.761 2.381 3.343 0.003 27 0 "[ . 1 . 2 . 3]" 1
774 1 62 LEU H 1 63 SER H . . 4.700 4.508 4.364 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 62 LEU HA 1 62 LEU HG . . 3.920 3.218 3.034 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 62 LEU HA 1 62 LEU MD2 . . 4.420 2.049 1.854 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 62 LEU HA 1 63 SER H . . 2.800 2.572 2.408 2.814 0.014 9 0 "[ . 1 . 2 . 3]" 1
778 1 62 LEU HA 1 67 PHE QB . . 6.170 4.758 4.480 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 62 LEU HB2 1 63 SER H . . 3.720 3.461 2.881 3.768 0.048 30 0 "[ . 1 . 2 . 3]" 1
780 1 62 LEU HB3 1 63 SER H . . 3.720 2.307 1.978 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 62 LEU HG 1 63 SER H . . 4.960 4.909 4.646 5.038 0.078 28 0 "[ . 1 . 2 . 3]" 1
782 1 62 LEU HG 1 67 PHE QB . . 5.610 4.641 4.105 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 62 LEU MD1 1 63 SER H . . 6.330 4.218 3.712 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 62 LEU MD1 1 67 PHE H . . 5.620 4.031 3.518 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 62 LEU MD1 1 67 PHE HA . . 5.320 2.928 2.455 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 62 LEU MD1 1 67 PHE QB . . 5.530 2.579 2.059 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 62 LEU MD1 1 67 PHE QD . . 8.560 2.368 1.921 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 62 LEU MD2 1 63 SER H . . 5.650 3.434 2.735 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 62 LEU MD2 1 67 PHE H . . 6.080 4.430 3.974 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 63 SER H 1 63 SER HB2 . . 4.380 2.825 2.332 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 63 SER H 1 63 SER HB3 . . 4.380 3.791 3.425 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 63 SER H 1 64 LYS H . . 4.390 4.243 3.233 4.463 0.073 27 0 "[ . 1 . 2 . 3]" 1
793 1 63 SER H 1 66 GLU H . . 4.840 4.137 3.855 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 63 SER H 1 66 GLU QB . . 4.180 2.047 1.809 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 63 SER HA 1 64 LYS H . . 3.160 2.880 2.422 3.545 0.385 30 0 "[ . 1 . 2 . 3]" 1
796 1 63 SER HB2 1 64 LYS H . . 3.370 2.650 1.914 3.462 0.092 18 0 "[ . 1 . 2 . 3]" 1
797 1 63 SER HB2 1 65 GLN H . . 4.980 4.276 3.792 5.052 0.072 18 0 "[ . 1 . 2 . 3]" 1
798 1 63 SER HB3 1 64 LYS H . . 3.370 2.149 1.882 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 63 SER HB3 1 65 GLN H . . 5.020 4.653 3.628 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 63 SER QB 1 64 LYS H . . 3.070 2.034 1.810 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 63 SER QB 1 65 GLN H . . 4.600 3.925 3.303 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 64 LYS H 1 64 LYS QB . . 3.820 2.457 2.073 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 64 LYS H 1 64 LYS HD2 . . 4.950 3.322 1.952 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 64 LYS H 1 64 LYS HD3 . . 4.950 3.395 1.937 5.001 0.051 30 0 "[ . 1 . 2 . 3]" 1
805 1 64 LYS H 1 64 LYS QD . . 4.680 2.778 1.902 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 64 LYS H 1 65 GLN H . . 3.480 3.258 2.351 3.506 0.026 4 0 "[ . 1 . 2 . 3]" 1
807 1 64 LYS HA 1 67 PHE H . . 4.580 4.264 4.103 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 64 LYS QB 1 65 GLN H . . 4.230 2.158 1.883 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 64 LYS QB 1 68 PHE QE . . 8.010 4.818 4.060 6.155 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 65 GLN H 1 65 GLN QB . . 3.650 2.160 2.005 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 65 GLN H 1 65 GLN HG2 . . 3.780 3.508 2.050 3.806 0.026 13 0 "[ . 1 . 2 . 3]" 1
812 1 65 GLN H 1 65 GLN HG3 . . 3.780 3.300 1.944 3.973 0.193 30 0 "[ . 1 . 2 . 3]" 1
813 1 65 GLN H 1 66 GLU H . . 3.310 2.996 2.763 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 65 GLN HA 1 65 GLN QG . . 3.960 2.249 1.943 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 65 GLN HA 1 66 GLU H . . 3.710 3.609 3.530 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 65 GLN HA 1 68 PHE H . . 3.480 3.439 3.285 3.538 0.058 18 0 "[ . 1 . 2 . 3]" 1
817 1 65 GLN HA 1 68 PHE QE . . 6.210 5.665 5.247 5.857 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 65 GLN HA 1 69 VAL HB . . 5.250 4.881 4.619 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 65 GLN QB 1 66 GLU H . . 3.960 2.754 2.371 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 65 GLN QB 1 68 PHE H . . 6.170 4.826 4.682 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 65 GLN HE22 1 65 GLN HG2 . . 3.910 3.639 3.446 3.994 0.084 1 0 "[ . 1 . 2 . 3]" 1
822 1 65 GLN HE22 1 65 GLN HG3 . . 4.010 3.763 3.445 4.158 0.148 18 0 "[ . 1 . 2 . 3]" 1
823 1 65 GLN QG 1 66 GLU H . . 4.860 4.038 1.929 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 66 GLU H 1 66 GLU QB . . 3.640 2.252 2.074 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 66 GLU H 1 66 GLU HG2 . . 3.390 3.070 2.046 3.545 0.155 4 0 "[ . 1 . 2 . 3]" 1
826 1 66 GLU H 1 66 GLU HG3 . . 3.390 3.040 1.892 3.652 0.262 4 0 "[ . 1 . 2 . 3]" 1
827 1 66 GLU H 1 67 PHE H . . 3.320 3.282 3.096 3.360 0.040 5 0 "[ . 1 . 2 . 3]" 1
828 1 66 GLU H 1 68 PHE QB . . 5.350 4.334 4.069 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 66 GLU H 1 68 PHE QD . . 7.260 5.741 5.313 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 66 GLU HA 1 69 VAL H . . 3.700 3.613 3.334 3.749 0.049 13 0 "[ . 1 . 2 . 3]" 1
831 1 66 GLU HA 1 69 VAL HB . . 2.820 2.743 2.444 2.872 0.052 9 0 "[ . 1 . 2 . 3]" 1
832 1 66 GLU HA 1 69 VAL MG2 . . 5.870 3.566 3.324 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 66 GLU HA 1 70 ALA H . . 4.420 4.261 4.068 4.447 0.027 11 0 "[ . 1 . 2 . 3]" 1
834 1 66 GLU HB2 1 67 PHE H . . 3.640 2.398 2.034 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 66 GLU HB3 1 67 PHE H . . 3.640 2.646 2.126 3.742 0.102 30 0 "[ . 1 . 2 . 3]" 1
836 1 66 GLU QB 1 67 PHE H . . 3.420 2.203 1.993 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 66 GLU QB 1 67 PHE QD . . 8.400 5.241 5.090 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 66 GLU QB 1 68 PHE H . . 4.890 4.262 3.970 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 66 GLU QG 1 67 PHE H . . 5.110 4.040 1.841 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 67 PHE H 1 67 PHE HB2 . . 2.790 2.534 2.380 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 67 PHE H 1 67 PHE HB3 . . 2.790 2.185 2.105 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 67 PHE H 1 68 PHE H . . 2.980 2.790 2.679 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 67 PHE HA 1 70 ALA H . . 3.640 3.483 3.259 3.643 0.003 4 0 "[ . 1 . 2 . 3]" 1
844 1 67 PHE HA 1 70 ALA MB . . 4.640 2.869 2.545 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 67 PHE HB2 1 68 PHE H . . 4.270 4.017 3.882 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 67 PHE HB3 1 68 PHE H . . 3.890 2.675 2.453 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 67 PHE QB 1 68 PHE H . . 3.540 2.637 2.428 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 67 PHE QD 1 68 PHE HA . . 7.010 2.738 2.325 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 67 PHE QD 1 68 PHE HZ . . 7.540 5.543 5.079 5.806 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 67 PHE QE 1 71 LEU MD1 . . 8.180 2.138 1.812 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 67 PHE HZ 1 71 LEU HG . . 3.840 3.714 3.465 3.865 0.025 9 0 "[ . 1 . 2 . 3]" 1
852 1 68 PHE H 1 68 PHE HB2 . . 3.200 1.928 1.894 1.963 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 68 PHE H 1 68 PHE HB3 . . 3.480 3.262 3.170 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 68 PHE H 1 68 PHE QB . . 2.840 1.915 1.880 1.949 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 68 PHE H 1 68 PHE QE . . 7.480 5.033 4.846 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 68 PHE H 1 69 VAL H . . 2.980 2.628 2.451 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 68 PHE H 1 69 VAL MG2 . . 6.330 4.658 4.290 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 68 PHE HA 1 71 LEU H . . 3.750 3.736 3.401 3.805 0.055 3 0 "[ . 1 . 2 . 3]" 1
859 1 68 PHE HA 1 71 LEU MD1 . . 5.210 2.777 2.182 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 68 PHE HB2 1 69 VAL H . . 4.110 3.330 2.994 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 68 PHE HB3 1 69 VAL H . . 4.110 3.586 3.206 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 68 PHE QB 1 69 VAL H . . 3.710 3.066 2.766 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 68 PHE QB 1 69 VAL HB . . 5.170 4.375 4.172 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 69 VAL H 1 69 VAL HA . . 3.030 2.891 2.826 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 69 VAL H 1 69 VAL HB . . 2.660 2.107 1.998 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 69 VAL H 1 69 VAL MG2 . . 4.030 3.061 2.777 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 69 VAL H 1 70 ALA H . . 2.620 2.493 2.181 2.638 0.018 11 0 "[ . 1 . 2 . 3]" 1
868 1 69 VAL HA 1 70 ALA H . . 3.810 3.637 3.625 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 69 VAL HA 1 72 ARG H . . 3.900 3.778 3.615 3.925 0.025 21 0 "[ . 1 . 2 . 3]" 1
870 1 69 VAL HA 1 73 LEU H . . 4.130 3.966 3.742 4.133 0.003 29 0 "[ . 1 . 2 . 3]" 1
871 1 69 VAL HB 1 70 ALA H . . 2.860 2.674 2.474 2.890 0.030 16 0 "[ . 1 . 2 . 3]" 1
872 1 69 VAL HB 1 70 ALA HA . . 5.020 4.791 4.646 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 69 VAL MG1 1 70 ALA H . . 4.440 2.343 2.022 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 70 ALA H 1 70 ALA HA . . 3.010 2.730 2.691 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 70 ALA H 1 71 LEU H . . 3.170 2.791 2.676 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 70 ALA HA 1 71 LEU H . . 3.730 3.554 3.511 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 70 ALA HA 1 73 LEU H . . 3.680 3.496 3.151 3.692 0.012 25 0 "[ . 1 . 2 . 3]" 1
878 1 70 ALA HA 1 73 LEU QB . . 4.640 2.119 1.848 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 70 ALA HA 1 73 LEU MD1 . . 3.790 2.432 2.105 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 70 ALA MB 1 71 LEU H . . 4.010 2.835 2.466 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 71 LEU H 1 71 LEU HA . . 3.030 2.775 2.697 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 71 LEU H 1 71 LEU HB2 . . 3.100 1.993 1.978 2.027 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 71 LEU H 1 71 LEU HB3 . . 3.360 3.192 3.058 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 71 LEU H 1 71 LEU QB . . 2.890 1.974 1.959 2.011 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 71 LEU H 1 71 LEU HG . . 4.070 3.522 3.193 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 71 LEU H 1 72 ARG H . . 3.120 3.089 2.956 3.153 0.033 9 0 "[ . 1 . 2 . 3]" 1
887 1 71 LEU HA 1 71 LEU HG . . 3.290 2.587 2.274 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 71 LEU HA 1 71 LEU MD2 . . 4.170 2.115 1.935 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 71 LEU HA 1 72 ARG H . . 3.820 3.629 3.610 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 71 LEU HA 1 72 ARG HE . . 5.040 4.807 4.061 5.116 0.076 17 0 "[ . 1 . 2 . 3]" 1
891 1 71 LEU HA 1 74 VAL H . . 3.850 3.716 3.508 3.861 0.011 5 0 "[ . 1 . 2 . 3]" 1
892 1 71 LEU HA 1 74 VAL HB . . 4.460 3.650 3.345 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 71 LEU HA 1 75 ALA H . . 5.190 5.155 4.678 5.371 0.181 9 0 "[ . 1 . 2 . 3]" 1
894 1 71 LEU HA 1 97 PHE QD . . 7.480 5.118 4.453 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 71 LEU HB2 1 72 ARG H . . 3.030 2.893 2.693 3.045 0.015 27 0 "[ . 1 . 2 . 3]" 1
896 1 71 LEU HB3 1 72 ARG H . . 2.900 2.215 1.944 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 71 LEU QB 1 72 ARG H . . 2.600 2.141 1.919 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 71 LEU QB 1 97 PHE QD . . 7.090 4.952 4.303 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 71 LEU MD2 1 75 ALA H . . 6.330 4.919 4.702 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 71 LEU MD2 1 97 PHE QE . . 6.480 2.313 2.030 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 72 ARG H 1 72 ARG HA . . 2.980 2.717 2.689 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 72 ARG H 1 72 ARG QB . . 3.570 2.273 2.140 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 72 ARG H 1 72 ARG HG2 . . 3.750 2.621 2.113 3.896 0.146 12 0 "[ . 1 . 2 . 3]" 1
904 1 72 ARG H 1 72 ARG HG3 . . 4.060 3.769 3.508 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 72 ARG H 1 72 ARG QG . . 3.510 2.542 2.098 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 72 ARG H 1 72 ARG HD2 . . 5.250 4.412 1.832 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 72 ARG H 1 72 ARG HD3 . . 5.250 4.158 3.540 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 72 ARG H 1 72 ARG QD . . 4.530 3.697 1.827 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 72 ARG H 1 73 LEU H . . 3.030 2.759 2.601 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 72 ARG H 1 75 ALA H . . 5.170 5.021 4.784 5.197 0.027 9 0 "[ . 1 . 2 . 3]" 1
911 1 72 ARG HA 1 73 LEU QB . . 6.170 5.139 5.104 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 72 ARG HA 1 75 ALA H . . 3.560 3.126 2.990 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 72 ARG HA 1 75 ALA MB . . 4.880 2.569 2.066 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 72 ARG HA 1 95 PRO QB . . 5.010 4.266 3.990 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 72 ARG HA 1 95 PRO QD . . 5.230 4.306 4.000 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 72 ARG HE 1 72 ARG QG . . 3.860 2.461 2.248 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 72 ARG HD2 1 92 VAL MG2 . . 5.260 4.345 4.058 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 72 ARG HD3 1 92 VAL MG2 . . 4.970 3.427 2.950 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 72 ARG QD 1 75 ALA MB . . 6.540 3.098 2.575 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 72 ARG QD 1 92 VAL MG2 . . 4.680 3.287 2.895 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 72 ARG HE 1 97 PHE QD . . 6.360 4.407 3.936 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 72 ARG HE 1 97 PHE QE . . 6.180 4.301 3.549 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 73 LEU H 1 73 LEU HA . . 2.890 2.741 2.685 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 73 LEU H 1 73 LEU HB2 . . 2.740 2.084 2.023 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 73 LEU H 1 73 LEU HB3 . . 2.900 2.877 2.624 3.000 0.100 12 0 "[ . 1 . 2 . 3]" 1
926 1 73 LEU H 1 73 LEU QB . . 2.470 2.036 1.992 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 73 LEU H 1 74 VAL H . . 2.930 2.818 2.667 2.957 0.027 21 0 "[ . 1 . 2 . 3]" 1
928 1 73 LEU HA 1 73 LEU MD2 . . 3.740 2.544 2.088 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 73 LEU HA 1 75 ALA H . . 4.610 4.302 4.070 4.623 0.013 15 0 "[ . 1 . 2 . 3]" 1
930 1 73 LEU HA 1 76 CYS H . . 3.500 3.332 3.264 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 73 LEU HA 1 76 CYS HB2 . . 3.560 2.510 2.143 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 73 LEU HA 1 76 CYS HB3 . . 3.800 3.643 3.269 3.831 0.031 9 0 "[ . 1 . 2 . 3]" 1
933 1 73 LEU HA 1 76 CYS QB . . 3.330 2.464 2.122 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 73 LEU QB 1 74 VAL H . . 4.210 2.665 2.510 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 73 LEU QB 1 75 ALA H . . 6.170 4.732 4.580 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 73 LEU MD1 1 88 LEU HG . . 4.410 3.513 3.152 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 73 LEU MD2 1 84 SER H . . 5.320 4.104 3.764 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 74 VAL H 1 74 VAL HB . . 2.620 2.345 2.180 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 74 VAL H 1 74 VAL MG2 . . 4.090 2.224 1.971 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 74 VAL H 1 75 ALA H . . 2.900 2.734 2.651 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 74 VAL HA 1 77 ALA MB . . 4.600 3.222 2.752 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 74 VAL HA 1 97 PHE QE . . 6.660 5.395 5.114 6.245 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 74 VAL HB 1 75 ALA H . . 2.790 2.704 2.549 2.806 0.016 18 0 "[ . 1 . 2 . 3]" 1
944 1 74 VAL MG1 1 75 ALA H . . 4.880 3.421 3.030 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 74 VAL MG1 1 78 GLN H . . 6.330 4.018 3.655 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 74 VAL MG1 1 95 PRO HB2 . . 6.330 3.897 3.398 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 74 VAL MG1 1 95 PRO HB3 . . 6.330 3.348 2.702 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 74 VAL MG1 1 95 PRO QB . . 5.910 3.162 2.603 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 74 VAL MG1 1 96 ARG H . . 5.840 3.976 3.445 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 74 VAL MG1 1 97 PHE QE . . 7.090 2.997 2.701 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 74 VAL MG2 1 75 ALA H . . 5.320 3.973 3.833 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 74 VAL MG2 1 97 PHE HZ . . 4.640 2.531 1.963 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 75 ALA H 1 75 ALA HA . . 3.030 2.789 2.759 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 75 ALA H 1 76 CYS H . . 2.960 2.641 2.557 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 75 ALA H 1 78 GLN QG . . 6.170 3.739 3.426 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 75 ALA HA 1 78 GLN H . . 3.610 3.422 3.253 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 75 ALA HA 1 78 GLN QB . . 5.710 2.131 1.966 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 75 ALA HA 1 97 PHE QE . . 7.480 5.027 4.661 5.972 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 75 ALA MB 1 76 CYS H . . 4.530 3.107 2.935 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 75 ALA MB 1 78 GLN QG . . 5.340 3.586 3.493 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 75 ALA MB 1 92 VAL MG1 . . 6.210 4.008 3.394 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 75 ALA MB 1 92 VAL MG2 . . 5.150 2.219 1.814 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 75 ALA MB 1 95 PRO HA . . 4.390 2.867 2.431 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 76 CYS H 1 76 CYS HA . . 2.940 2.832 2.805 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 76 CYS H 1 76 CYS HB2 . . 3.170 2.229 2.098 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 76 CYS H 1 76 CYS HB3 . . 3.170 2.886 2.680 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 76 CYS H 1 76 CYS QB . . 2.870 2.154 2.066 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 76 CYS H 1 77 ALA H . . 3.080 2.789 2.602 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 76 CYS H 1 78 GLN QG . . 4.790 4.221 4.120 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 76 CYS HA 1 77 ALA H . . 3.820 3.646 3.638 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 76 CYS HA 1 81 LEU MD1 . . 3.930 2.782 1.967 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 76 CYS HA 1 92 VAL MG1 . . 5.020 2.909 2.036 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 76 CYS HA 1 92 VAL MG2 . . 5.100 3.492 1.944 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 76 CYS HB2 1 77 ALA H . . 3.450 3.267 3.021 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 76 CYS HB3 1 77 ALA H . . 3.170 2.114 1.941 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 76 CYS QB 1 77 ALA H . . 2.850 2.087 1.927 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 76 CYS QB 1 77 ALA MB . . 5.640 3.464 3.355 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 76 CYS QB 1 81 LEU QB . . 5.510 3.320 2.512 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 76 CYS QB 1 81 LEU MD1 . . 6.630 3.935 3.392 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 77 ALA H 1 77 ALA HA . . 2.900 2.755 2.716 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 77 ALA H 1 78 GLN H . . 2.820 2.715 2.617 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 77 ALA H 1 79 ASN H . . 4.430 4.267 4.143 4.431 0.001 24 0 "[ . 1 . 2 . 3]" 1
983 1 77 ALA HA 1 83 VAL MG2 . . 4.780 3.799 3.686 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 77 ALA MB 1 78 GLN H . . 4.420 3.033 2.964 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 77 ALA MB 1 79 ASN H . . 5.970 4.331 4.195 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 77 ALA MB 1 83 VAL MG2 . . 4.680 2.317 1.920 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 78 GLN H 1 78 GLN HA . . 2.900 2.766 2.717 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 78 GLN H 1 78 GLN HB2 . . 3.100 2.280 2.227 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 78 GLN H 1 78 GLN HB3 . . 3.710 3.513 3.492 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 78 GLN H 1 78 GLN QB . . 3.000 2.253 2.203 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 78 GLN H 1 78 GLN HG2 . . 3.150 2.788 2.635 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 78 GLN H 1 78 GLN HG3 . . 3.280 3.114 2.944 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 78 GLN H 1 78 GLN QG . . 2.890 2.600 2.479 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 78 GLN H 1 79 ASN H . . 2.820 2.662 2.562 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 78 GLN H 1 80 GLY H . . 4.150 3.895 3.717 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 78 GLN HA 1 78 GLN HG2 . . 3.990 2.252 2.170 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 78 GLN HA 1 78 GLN HG3 . . 3.990 3.546 3.489 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 78 GLN HA 1 78 GLN QG . . 3.720 2.229 2.150 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 78 GLN HA 1 78 GLN HE21 . . 4.400 4.380 4.294 4.456 0.056 9 0 "[ . 1 . 2 . 3]" 1
1000 1 78 GLN HA 1 78 GLN HE22 . . 4.950 4.975 4.850 5.048 0.098 15 0 "[ . 1 . 2 . 3]" 1
1001 1 78 GLN HA 1 79 ASN H . . 3.590 3.475 3.357 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 78 GLN HB2 1 79 ASN H . . 4.130 3.263 3.011 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 78 GLN HB3 1 79 ASN H . . 4.330 3.943 3.617 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 78 GLN QB 1 79 ASN H . . 3.860 3.115 2.870 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 78 GLN HE21 1 95 PRO HA . . 4.330 3.390 2.046 4.356 0.026 12 0 "[ . 1 . 2 . 3]" 1
1006 1 78 GLN HE21 1 95 PRO QB . . 4.640 3.935 3.513 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 78 GLN HE21 1 96 ARG H . . 3.800 3.631 3.233 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 78 GLN HE22 1 96 ARG H . . 3.260 3.274 3.253 3.322 0.062 15 0 "[ . 1 . 2 . 3]" 1
1009 1 79 ASN H 1 79 ASN HA . . 3.070 2.904 2.894 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 79 ASN H 1 79 ASN HB2 . . 3.150 2.654 2.341 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 79 ASN H 1 79 ASN HB3 . . 3.150 2.691 2.324 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 79 ASN H 1 79 ASN QB . . 2.840 2.341 2.245 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 79 ASN H 1 81 LEU H . . 4.240 2.951 2.664 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 79 ASN HA 1 80 GLY H . . 3.440 3.363 3.057 3.566 0.126 15 0 "[ . 1 . 2 . 3]" 1
1015 1 79 ASN HB2 1 80 GLY H . . 5.250 4.164 3.677 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 79 ASN HB2 1 81 LEU MD1 . . 5.260 3.197 2.326 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 79 ASN HB3 1 80 GLY H . . 5.250 3.467 2.903 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 79 ASN HB3 1 81 LEU MD1 . . 5.260 2.482 1.897 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 79 ASN QB 1 79 ASN HD22 . . 3.750 3.281 3.232 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 80 GLY H 1 80 GLY HA2 . . 2.690 2.920 2.834 2.960 0.270 22 0 "[ . 1 . 2 . 3]" 1
1021 1 80 GLY H 1 80 GLY HA3 . . 3.080 2.341 2.253 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 80 GLY H 1 81 LEU H . . 2.570 2.237 1.879 2.589 0.019 24 0 "[ . 1 . 2 . 3]" 1
1023 1 81 LEU H 1 81 LEU HA . . 3.000 2.864 2.861 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 81 LEU H 1 81 LEU QB . . 3.600 2.363 2.264 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 81 LEU H 1 81 LEU HG . . 2.620 2.420 2.074 2.627 0.007 18 0 "[ . 1 . 2 . 3]" 1
1026 1 81 LEU H 1 82 GLU H . . 4.820 4.589 4.531 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 81 LEU HA 1 81 LEU MD2 . . 3.740 2.221 2.018 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 81 LEU HA 1 82 GLU H . . 2.660 2.531 2.293 2.672 0.012 1 0 "[ . 1 . 2 . 3]" 1
1029 1 81 LEU HA 1 90 LEU MD1 . . 6.250 5.265 5.233 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 81 LEU QB 1 82 GLU H . . 3.740 2.347 2.073 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 81 LEU MD2 1 82 GLU H . . 5.650 3.332 2.972 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 82 GLU H 1 82 GLU HA . . 2.900 2.705 2.649 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 82 GLU H 1 82 GLU HB2 . . 2.690 2.077 2.054 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 82 GLU H 1 82 GLU HB3 . . 2.990 3.012 2.966 3.059 0.069 12 0 "[ . 1 . 2 . 3]" 1
1035 1 82 GLU H 1 82 GLU QB . . 2.490 2.042 2.023 2.064 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 82 GLU H 1 83 VAL H . . 4.850 4.659 4.624 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 82 GLU HA 1 82 GLU HB2 . . 2.850 2.718 2.680 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 82 GLU HA 1 82 GLU HG2 . . 3.390 3.216 2.611 3.568 0.178 24 0 "[ . 1 . 2 . 3]" 1
1039 1 82 GLU HA 1 82 GLU HG3 . . 3.260 2.198 2.020 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 82 GLU HA 1 83 VAL H . . 2.740 2.525 2.475 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 82 GLU HB2 1 83 VAL H . . 4.090 4.033 3.929 4.104 0.014 28 0 "[ . 1 . 2 . 3]" 1
1042 1 82 GLU HB3 1 83 VAL H . . 3.800 3.110 2.875 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 82 GLU QB 1 83 VAL H . . 3.560 3.012 2.808 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 83 VAL H 1 83 VAL HB . . 2.770 2.606 2.492 2.797 0.027 4 0 "[ . 1 . 2 . 3]" 1
1045 1 83 VAL H 1 83 VAL MG2 . . 4.010 2.358 2.128 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 83 VAL H 1 84 SER H . . 5.250 2.046 1.894 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 83 VAL HA 1 84 SER H . . 3.410 3.374 3.288 3.447 0.037 7 0 "[ . 1 . 2 . 3]" 1
1048 1 83 VAL HB 1 84 SER H . . 4.410 3.499 3.307 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 83 VAL MG2 1 84 SER H . . 5.440 3.949 3.746 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 84 SER H 1 84 SER HA . . 3.040 2.888 2.887 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 84 SER H 1 84 SER HB2 . . 3.340 2.356 2.191 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 84 SER H 1 84 SER HB3 . . 3.850 3.533 3.041 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 84 SER H 1 84 SER QB . . 3.230 2.321 2.167 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 84 SER H 1 85 LEU H . . 5.200 4.584 4.557 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 84 SER H 1 85 LEU HA . . 5.500 5.399 5.339 5.509 0.009 21 0 "[ . 1 . 2 . 3]" 1
1056 1 84 SER H 1 87 SER H . . 4.740 4.102 3.749 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 84 SER HA 1 84 SER QB . . 2.730 2.455 2.322 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 84 SER HA 1 85 LEU H . . 2.520 2.424 2.291 2.572 0.052 21 0 "[ . 1 . 2 . 3]" 1
1059 1 84 SER HA 1 86 SER H . . 4.020 3.933 3.754 4.032 0.012 27 0 "[ . 1 . 2 . 3]" 1
1060 1 84 SER HB2 1 85 LEU H . . 4.190 3.920 3.537 4.214 0.024 11 0 "[ . 1 . 2 . 3]" 1
1061 1 84 SER HB3 1 85 LEU H . . 4.110 2.725 2.351 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 84 SER QB 1 85 LEU H . . 3.680 2.674 2.329 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 84 SER QB 1 86 SER H . . 4.260 2.267 2.063 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 84 SER QB 1 87 SER H . . 4.210 3.498 3.158 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 85 LEU H 1 85 LEU HB2 . . 3.150 2.059 2.015 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 85 LEU H 1 85 LEU HB3 . . 3.540 3.372 3.318 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 85 LEU H 1 85 LEU QB . . 2.780 2.042 1.999 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 85 LEU H 1 85 LEU HG . . 3.220 3.086 2.923 3.227 0.007 18 0 "[ . 1 . 2 . 3]" 1
1069 1 85 LEU H 1 85 LEU MD1 . . 5.020 3.702 3.402 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 85 LEU H 1 85 LEU MD2 . . 4.790 4.012 3.897 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 85 LEU H 1 86 SER H . . 2.930 2.651 2.556 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 85 LEU HA 1 85 LEU HB2 . . 3.080 2.938 2.905 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 85 LEU HA 1 85 LEU HB3 . . 3.070 2.735 2.689 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 85 LEU HA 1 85 LEU HG . . 4.050 2.588 2.500 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 85 LEU HA 1 85 LEU MD2 . . 3.650 2.192 1.967 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 85 LEU HA 1 86 SER H . . 3.720 3.498 3.470 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 85 LEU HA 1 88 LEU MD1 . . 4.740 3.814 2.813 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 85 LEU HB2 1 86 SER H . . 3.700 3.369 3.262 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 85 LEU HB3 1 86 SER H . . 3.700 3.694 3.600 3.750 0.050 7 0 "[ . 1 . 2 . 3]" 1
1080 1 85 LEU QB 1 85 LEU HG . . 2.800 2.397 2.316 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 85 LEU QB 1 86 SER H . . 3.440 3.122 3.049 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 85 LEU MD1 1 86 SER H . . 6.410 5.069 4.941 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 85 LEU MD2 1 86 SER H . . 5.960 4.774 4.596 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 86 SER H 1 86 SER HA . . 2.910 2.736 2.703 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 86 SER H 1 86 SER QB . . 3.820 2.205 2.010 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 86 SER H 1 87 SER H . . 3.010 2.733 2.638 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 86 SER HA 1 87 SER H . . 3.530 3.480 3.367 3.627 0.097 28 0 "[ . 1 . 2 . 3]" 1
1088 1 86 SER HA 1 88 LEU H . . 4.060 3.906 3.697 4.095 0.035 17 0 "[ . 1 . 2 . 3]" 1
1089 1 86 SER QB 1 87 SER H . . 4.420 3.087 2.581 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 87 SER H 1 87 SER HA . . 3.070 2.900 2.814 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 87 SER H 1 87 SER HB2 . . 4.350 2.650 2.078 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 87 SER H 1 87 SER HB3 . . 4.350 3.110 2.607 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 87 SER H 1 87 SER QB . . 3.450 2.423 2.059 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 87 SER H 1 88 LEU H . . 2.790 2.452 2.004 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 87 SER H 1 88 LEU QB . . 4.620 3.809 3.633 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 87 SER HA 1 87 SER HB2 . . 3.120 2.775 2.416 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 87 SER HA 1 87 SER HB3 . . 3.120 2.838 2.378 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 87 SER HA 1 90 LEU MD1 . . 4.410 2.872 1.839 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 87 SER QB 1 88 LEU H . . 4.210 3.697 3.048 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 88 LEU H 1 88 LEU HA . . 3.040 2.906 2.799 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 88 LEU H 1 88 LEU HB2 . . 3.070 2.269 2.106 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 88 LEU H 1 88 LEU HB3 . . 3.600 3.372 2.714 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 88 LEU H 1 88 LEU QB . . 2.880 2.231 2.087 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 88 LEU H 1 88 LEU MD1 . . 5.090 4.194 4.004 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 88 LEU H 1 88 LEU MD2 . . 4.580 3.038 1.958 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 88 LEU HA 1 88 LEU MD2 . . 3.930 2.285 1.787 2.679 0.013 27 0 "[ . 1 . 2 . 3]" 1
1107 1 88 LEU HA 1 89 SER H . . 2.920 2.803 2.621 3.580 0.660 25 4 "[ . 1 . 2 +*-* 3]" 1
1108 1 88 LEU HA 1 90 LEU H . . 3.610 3.220 2.842 3.619 0.009 28 0 "[ . 1 . 2 . 3]" 1
1109 1 88 LEU HB2 1 89 SER H . . 3.630 3.635 3.479 3.801 0.171 26 0 "[ . 1 . 2 . 3]" 1
1110 1 88 LEU HB3 1 89 SER H . . 3.510 2.214 1.937 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 88 LEU QB 1 89 SER H . . 3.160 2.191 1.928 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 88 LEU MD1 1 89 SER H . . 5.340 2.973 2.401 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 88 LEU MD2 1 89 SER H . . 5.290 3.970 2.448 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 89 SER H 1 89 SER HA . . 2.850 2.257 2.170 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 89 SER H 1 89 SER QB . . 3.690 2.984 2.325 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 89 SER H 1 90 LEU HG . . 4.150 3.732 3.462 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 89 SER HA 1 89 SER HB2 . . 2.520 2.349 2.276 2.622 0.102 17 0 "[ . 1 . 2 . 3]" 1
1118 1 89 SER HA 1 89 SER HB3 . . 2.750 2.660 2.462 3.035 0.285 17 0 "[ . 1 . 2 . 3]" 1
1119 1 90 LEU H 1 90 LEU HA . . 3.020 2.926 2.851 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 90 LEU H 1 90 LEU HB2 . . 3.000 2.880 2.449 3.046 0.046 18 0 "[ . 1 . 2 . 3]" 1
1121 1 90 LEU H 1 90 LEU HB3 . . 3.740 3.706 3.557 3.798 0.058 30 0 "[ . 1 . 2 . 3]" 1
1122 1 90 LEU H 1 90 LEU QB . . 3.270 2.783 2.408 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 90 LEU H 1 90 LEU HG . . 2.620 2.150 1.934 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 90 LEU H 1 90 LEU MD1 . . 4.830 3.465 2.979 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 90 LEU H 1 90 LEU MD2 . . 4.690 3.380 3.048 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 90 LEU H 1 91 ALA H . . 4.430 4.307 4.208 4.447 0.017 25 0 "[ . 1 . 2 . 3]" 1
1127 1 90 LEU HA 1 90 LEU MD2 . . 3.710 2.543 2.266 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 90 LEU HA 1 91 ALA H . . 3.200 2.868 2.805 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 90 LEU HB2 1 90 LEU HG . . 2.690 2.608 2.510 2.702 0.012 27 0 "[ . 1 . 2 . 3]" 1
1130 1 90 LEU HB2 1 91 ALA H . . 3.170 2.418 2.243 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 90 LEU HB3 1 91 ALA H . . 3.170 2.291 1.952 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 90 LEU QB 1 90 LEU HG . . 2.740 2.458 2.396 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 90 LEU QB 1 91 ALA H . . 2.910 2.065 1.927 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 90 LEU HG 1 91 ALA H . . 4.590 4.608 4.558 4.649 0.059 28 0 "[ . 1 . 2 . 3]" 1
1135 1 90 LEU MD1 1 91 ALA H . . 5.620 4.026 3.917 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 90 LEU MD2 1 91 ALA H . . 5.390 4.078 3.408 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 91 ALA H 1 91 ALA HA . . 3.080 2.921 2.868 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 91 ALA H 1 92 VAL H . . 3.830 3.517 3.346 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 91 ALA HA 1 92 VAL H . . 2.620 2.571 2.435 2.660 0.040 30 0 "[ . 1 . 2 . 3]" 1
1140 1 91 ALA MB 1 92 VAL H . . 4.650 3.786 3.760 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 91 ALA MB 1 92 VAL HA . . 6.330 4.444 4.318 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 92 VAL H 1 92 VAL HB . . 3.800 3.417 2.678 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 92 VAL H 1 92 VAL MG2 . . 4.780 2.458 2.004 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 92 VAL HA 1 93 PRO HD2 . . 2.930 2.623 2.269 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 92 VAL HA 1 93 PRO HD3 . . 2.930 1.969 1.914 2.025 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 92 VAL HA 1 93 PRO QD . . 2.570 1.915 1.842 1.977 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 92 VAL HB 1 93 PRO QD . . 4.160 2.342 1.965 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 93 PRO HA 1 94 PRO HD2 . . 3.280 2.968 2.957 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 93 PRO HA 1 94 PRO HD3 . . 2.960 2.194 2.185 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 93 PRO HA 1 94 PRO QD . . 2.740 2.140 2.130 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 93 PRO HB2 1 94 PRO HD2 . . 3.970 1.960 1.890 1.986 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 93 PRO HB2 1 94 PRO HD3 . . 3.970 3.056 2.991 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 93 PRO HB3 1 94 PRO HD2 . . 3.970 2.743 2.720 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 93 PRO HB3 1 94 PRO HD3 . . 3.970 3.112 3.069 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 93 PRO QB 1 94 PRO QD . . 3.190 1.885 1.826 1.906 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 94 PRO HA 1 95 PRO QD . . 3.760 1.883 1.858 1.905 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 94 PRO QB 1 95 PRO QD . . 4.240 2.722 2.567 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 94 PRO QG 1 95 PRO QD . . 5.710 4.359 4.259 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 95 PRO HA 1 96 ARG H . . 2.890 2.752 2.278 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 95 PRO HA 1 97 PHE QD . . 7.010 4.685 4.566 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 95 PRO QB 1 97 PHE HZ . . 4.470 4.056 3.481 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 95 PRO QD 1 96 ARG H . . 5.520 4.711 4.656 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 96 ARG H 1 96 ARG HB2 . . 2.710 2.372 2.218 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 96 ARG H 1 96 ARG HB3 . . 3.290 2.937 2.912 3.429 0.139 9 0 "[ . 1 . 2 . 3]" 1
1165 1 96 ARG H 1 96 ARG QB . . 2.620 2.275 2.192 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 96 ARG H 1 97 PHE H . . 4.620 2.169 2.057 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 96 ARG HA 1 97 PHE H . . 3.800 3.520 2.560 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 96 ARG HA 1 97 PHE QD . . 7.480 5.396 3.477 5.573 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 96 ARG HA 1 97 PHE QE . . 7.260 6.489 5.039 6.637 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 96 ARG HB2 1 96 ARG HD2 . . 4.360 3.000 1.974 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 96 ARG HB2 1 96 ARG HD3 . . 4.360 3.352 1.998 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 96 ARG HB2 1 97 PHE H . . 3.600 3.644 3.618 3.879 0.279 9 0 "[ . 1 . 2 . 3]" 1
1173 1 96 ARG HB3 1 96 ARG HD2 . . 4.360 2.916 2.025 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 96 ARG HB3 1 96 ARG HD3 . . 4.360 3.078 1.996 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 96 ARG HB3 1 97 PHE H . . 2.960 3.001 2.454 3.046 0.086 21 0 "[ . 1 . 2 . 3]" 1
1176 1 96 ARG QB 1 96 ARG QD . . 3.320 2.083 1.931 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 96 ARG HE 1 96 ARG HG2 . . 4.190 3.018 2.071 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 96 ARG HE 1 96 ARG HG3 . . 4.190 2.646 2.070 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 97 PHE H 1 97 PHE HA . . 3.070 2.662 2.652 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 97 PHE H 1 97 PHE HB2 . . 3.040 2.758 2.731 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 97 PHE H 1 97 PHE HB3 . . 3.610 3.473 3.452 3.844 0.234 9 0 "[ . 1 . 2 . 3]" 1
1182 1 97 PHE H 1 97 PHE QB . . 3.240 2.657 2.635 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 97 PHE HA 1 98 HIS H . . 2.620 2.451 2.436 2.645 0.025 9 0 "[ . 1 . 2 . 3]" 1
1184 1 97 PHE HB2 1 98 HIS H . . 3.530 3.564 3.434 3.591 0.061 8 0 "[ . 1 . 2 . 3]" 1
1185 1 97 PHE HB3 1 98 HIS H . . 3.260 2.639 2.161 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 97 PHE QB 1 98 HIS H . . 3.020 2.572 2.144 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 97 PHE QD 1 98 HIS H . . 7.340 4.094 3.200 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 98 HIS H 1 98 HIS HA . . 2.960 2.814 2.803 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 98 HIS H 1 98 HIS HB2 . . 3.070 2.273 2.014 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 98 HIS H 1 98 HIS HB3 . . 3.380 3.233 2.348 3.508 0.128 8 0 "[ . 1 . 2 . 3]" 1
1191 1 98 HIS H 1 98 HIS QB . . 3.030 2.199 1.995 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 98 HIS H 1 98 HIS HD2 . . 4.920 3.936 2.335 4.939 0.019 26 0 "[ . 1 . 2 . 3]" 1
1193 1 98 HIS H 1 99 ASP H . . 5.250 4.550 2.605 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 98 HIS HA 1 99 ASP H . . 2.790 2.536 2.247 3.373 0.583 24 1 "[ . 1 . 2 +. 3]" 1
1195 1 98 HIS HB2 1 99 ASP H . . 3.940 3.853 3.651 3.947 0.007 2 0 "[ . 1 . 2 . 3]" 1
1196 1 98 HIS HB3 1 99 ASP H . . 3.660 2.788 2.248 3.710 0.050 24 0 "[ . 1 . 2 . 3]" 1
1197 1 98 HIS QB 1 98 HIS HD2 . . 3.720 2.983 2.649 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 98 HIS QB 1 99 ASP H . . 3.440 2.699 2.231 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 98 HIS QB 1 99 ASP HA . . 6.170 4.249 3.729 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 99 ASP H 1 99 ASP HA . . 2.790 2.664 2.167 2.826 0.036 1 0 "[ . 1 . 2 . 3]" 1
1201 1 99 ASP H 1 99 ASP HB2 . . 3.320 2.765 2.003 3.484 0.164 3 0 "[ . 1 . 2 . 3]" 1
1202 1 99 ASP H 1 99 ASP HB3 . . 3.600 3.224 2.130 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 99 ASP H 1 99 ASP QB . . 3.170 2.536 1.982 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 99 ASP HA 1 99 ASP HB2 . . 2.880 2.704 2.332 2.880 0.000 5 0 "[ . 1 . 2 . 3]" 1
1205 1 99 ASP HA 1 99 ASP HB3 . . 2.920 2.928 2.320 3.009 0.089 18 0 "[ . 1 . 2 . 3]" 1
1206 1 99 ASP HA 1 99 ASP QB . . 2.690 2.475 2.186 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 154.993
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.122 0.026 30 0 "[ . 1 . 2 . 3]"
1 6 LEU 0.122 0.026 30 0 "[ . 1 . 2 . 3]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 LYS 0.261 0.043 17 0 "[ . 1 . 2 . 3]"
1 16 TYR 0.064 0.023 18 0 "[ . 1 . 2 . 3]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 GLN 0.261 0.043 17 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.064 0.023 18 0 "[ . 1 . 2 . 3]"
1 28 VAL 0.011 0.011 16 0 "[ . 1 . 2 . 3]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 LEU 0.805 0.058 30 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.001 0.001 21 0 "[ . 1 . 2 . 3]"
1 33 ALA 0.017 0.017 9 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.805 0.058 30 0 "[ . 1 . 2 . 3]"
1 36 PHE 0.001 0.001 21 0 "[ . 1 . 2 . 3]"
1 37 LEU 0.017 0.017 9 0 "[ . 1 . 2 . 3]"
1 44 ASP 1.587 0.074 13 0 "[ . 1 . 2 . 3]"
1 45 LEU 1.045 0.072 16 0 "[ . 1 . 2 . 3]"
1 46 ILE 0.116 0.028 29 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 GLY 1.660 0.074 13 0 "[ . 1 . 2 . 3]"
1 49 LYS 1.045 0.072 16 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.268 0.028 29 0 "[ . 1 . 2 . 3]"
1 51 TRP 0.767 0.052 28 0 "[ . 1 . 2 . 3]"
1 52 ASP 0.073 0.015 21 0 "[ . 1 . 2 . 3]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.152 0.019 15 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.767 0.052 28 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.011 0.011 16 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.055 0.023 9 0 "[ . 1 . 2 . 3]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 PHE 0.013 0.010 5 0 "[ . 1 . 2 . 3]"
1 68 PHE 0.055 0.023 9 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.031 0.011 4 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 LEU 0.013 0.010 5 0 "[ . 1 . 2 . 3]"
1 73 LEU 0.031 0.011 4 0 "[ . 1 . 2 . 3]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 84 SER 0.010 0.005 7 0 "[ . 1 . 2 . 3]"
1 85 LEU 0.036 0.016 7 0 "[ . 1 . 2 . 3]"
1 87 SER 0.010 0.005 7 0 "[ . 1 . 2 . 3]"
1 88 LEU 0.036 0.016 7 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER O 1 6 LEU H . . 2.500 1.912 1.674 2.508 0.026 30 0 "[ . 1 . 2 . 3]" 2
2 1 2 SER O 1 6 LEU N . 2.300 3.500 2.843 2.598 3.358 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 13 TYR O 1 17 TYR H . . 2.500 1.887 1.716 2.339 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 13 TYR O 1 17 TYR N . 2.300 3.500 2.865 2.693 3.292 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 14 GLU O 1 18 ARG H . . 2.500 2.057 1.859 2.267 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 14 GLU O 1 18 ARG N . 2.300 3.500 2.841 2.609 3.031 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 15 LYS O 1 19 GLN H . . 2.500 2.471 2.137 2.543 0.043 17 0 "[ . 1 . 2 . 3]" 2
8 1 15 LYS O 1 19 GLN N . 2.300 3.500 3.177 2.901 3.367 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 16 TYR O 1 20 VAL H . . 2.500 2.391 2.183 2.523 0.023 18 0 "[ . 1 . 2 . 3]" 2
10 1 16 TYR O 1 20 VAL N . 2.300 3.500 3.242 3.070 3.361 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 28 VAL O 1 62 LEU H . . 2.500 2.047 1.689 2.345 0.011 16 0 "[ . 1 . 2 . 3]" 2
12 1 28 VAL O 1 62 LEU N . 2.300 3.500 2.928 2.612 3.185 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 30 ALA O 1 34 ALA H . . 2.500 1.954 1.787 2.216 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 30 ALA O 1 34 ALA N . 2.300 3.500 2.856 2.687 3.080 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 31 LEU O 1 35 ALA H . . 2.500 2.527 2.503 2.558 0.058 30 0 "[ . 1 . 2 . 3]" 2
16 1 31 LEU O 1 35 ALA N . 2.300 3.500 3.288 3.185 3.357 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 32 ASP O 1 36 PHE H . . 2.500 1.872 1.699 2.164 0.001 21 0 "[ . 1 . 2 . 3]" 2
18 1 32 ASP O 1 36 PHE N . 2.300 3.500 2.794 2.633 3.072 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 33 ALA O 1 37 LEU H . . 2.500 1.923 1.683 2.225 0.017 9 0 "[ . 1 . 2 . 3]" 2
20 1 33 ALA O 1 37 LEU N . 2.300 3.500 2.852 2.634 3.089 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 44 ASP O 1 48 GLY H . . 2.500 1.647 1.626 1.665 0.074 13 0 "[ . 1 . 2 . 3]" 2
22 1 44 ASP O 1 48 GLY N . 2.300 3.500 2.608 2.546 2.660 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 45 LEU O 1 49 LYS H . . 2.500 2.534 2.478 2.572 0.072 16 0 "[ . 1 . 2 . 3]" 2
24 1 45 LEU O 1 49 LYS N . 2.300 3.500 3.424 3.361 3.476 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 46 ILE O 1 50 ILE H . . 2.500 2.456 2.348 2.528 0.028 29 0 "[ . 1 . 2 . 3]" 2
26 1 46 ILE O 1 50 ILE N . 2.300 3.500 3.368 3.251 3.451 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 47 LEU O 1 51 TRP H . . 2.500 1.971 1.799 2.120 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 47 LEU O 1 51 TRP N . 2.300 3.500 2.892 2.733 3.022 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 48 GLY O 1 52 ASP H . . 2.500 1.745 1.685 1.873 0.015 21 0 "[ . 1 . 2 . 3]" 2
30 1 48 GLY O 1 52 ASP N . 2.300 3.500 2.738 2.678 2.871 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 49 LYS O 1 53 LEU H . . 2.500 1.879 1.708 2.238 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 49 LYS O 1 53 LEU N . 2.300 3.500 2.756 2.637 2.889 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 50 ILE O 1 54 ALA H . . 2.500 1.710 1.681 1.912 0.019 15 0 "[ . 1 . 2 . 3]" 2
34 1 50 ILE O 1 54 ALA N . 2.300 3.500 2.493 2.455 2.759 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 51 TRP O 1 55 ASP H . . 2.500 1.674 1.648 1.690 0.052 28 0 "[ . 1 . 2 . 3]" 2
36 1 51 TRP O 1 55 ASP N . 2.300 3.500 2.534 2.469 2.599 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 64 LYS O 1 68 PHE H . . 2.500 1.874 1.677 2.367 0.023 9 0 "[ . 1 . 2 . 3]" 2
38 1 64 LYS O 1 68 PHE N . 2.300 3.500 2.844 2.636 3.352 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 65 GLN O 1 69 VAL H . . 2.500 1.958 1.713 2.277 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 65 GLN O 1 69 VAL N . 2.300 3.500 2.520 2.448 2.749 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 66 GLU O 1 70 ALA H . . 2.500 2.077 1.934 2.240 . 0 0 "[ . 1 . 2 . 3]" 2
42 1 66 GLU O 1 70 ALA N . 2.300 3.500 3.009 2.857 3.133 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 67 PHE O 1 71 LEU H . . 2.500 2.221 1.930 2.510 0.010 5 0 "[ . 1 . 2 . 3]" 2
44 1 67 PHE O 1 71 LEU N . 2.300 3.500 3.092 2.898 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 69 VAL O 1 73 LEU H . . 2.500 1.766 1.689 1.970 0.011 4 0 "[ . 1 . 2 . 3]" 2
46 1 69 VAL O 1 73 LEU N . 2.300 3.500 2.720 2.614 2.952 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 70 ALA O 1 74 VAL H . . 2.500 2.183 1.808 2.426 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 70 ALA O 1 74 VAL N . 2.300 3.500 3.039 2.661 3.275 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 74 VAL O 1 78 GLN H . . 2.500 2.067 1.758 2.241 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 74 VAL O 1 78 GLN N . 2.300 3.500 2.869 2.498 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 84 SER O 1 87 SER H . . 2.500 1.906 1.695 2.339 0.005 7 0 "[ . 1 . 2 . 3]" 2
52 1 84 SER O 1 87 SER N . 2.300 3.500 2.856 2.631 3.139 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 85 LEU O 1 88 LEU H . . 2.500 1.849 1.684 2.171 0.016 7 0 "[ . 1 . 2 . 3]" 2
54 1 85 LEU O 1 88 LEU N . 2.300 3.500 2.710 2.583 2.903 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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