NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398532 |
1tl4   |
6266 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tl4
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 1246
_Distance_constraint_stats_list.Viol_count 1568
_Distance_constraint_stats_list.Viol_total 1398.805
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.523 0.128 25 0 "[ . 1 . 2 . 3]"
1 3 LYS 0.031 0.018 21 0 "[ . 1 . 2 . 3]"
1 4 HIS 0.396 0.048 24 0 "[ . 1 . 2 . 3]"
1 5 GLU 1.627 0.119 7 0 "[ . 1 . 2 . 3]"
1 6 PHE 0.790 0.056 22 0 "[ . 1 . 2 . 3]"
1 7 SER 0.927 0.056 22 0 "[ . 1 . 2 . 3]"
1 8 VAL 0.921 0.053 12 0 "[ . 1 . 2 . 3]"
1 9 ASP 1.313 0.063 11 0 "[ . 1 . 2 . 3]"
1 10 MET 0.540 0.082 30 0 "[ . 1 . 2 . 3]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 CYS 0.042 0.012 18 0 "[ . 1 . 2 . 3]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 CYS 0.063 0.012 18 0 "[ . 1 . 2 . 3]"
1 16 ALA 0.139 0.027 23 0 "[ . 1 . 2 . 3]"
1 17 GLU 0.806 0.112 23 0 "[ . 1 . 2 . 3]"
1 18 ALA 0.649 0.065 30 0 "[ . 1 . 2 . 3]"
1 19 VAL 0.224 0.021 30 0 "[ . 1 . 2 . 3]"
1 20 SER 3.299 0.107 24 0 "[ . 1 . 2 . 3]"
1 21 ARG 4.813 0.204 30 0 "[ . 1 . 2 . 3]"
1 22 VAL 1.852 0.112 30 0 "[ . 1 . 2 . 3]"
1 23 LEU 4.253 0.118 24 0 "[ . 1 . 2 . 3]"
1 24 ASN 1.466 0.077 23 0 "[ . 1 . 2 . 3]"
1 25 LYS 2.721 0.077 23 0 "[ . 1 . 2 . 3]"
1 26 LEU 1.744 0.086 4 0 "[ . 1 . 2 . 3]"
1 27 GLY 1.046 0.078 11 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 VAL 1.042 0.078 11 0 "[ . 1 . 2 . 3]"
1 30 LYS 0.702 0.049 24 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.019 0.011 19 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.212 0.050 6 0 "[ . 1 . 2 . 3]"
1 33 ILE 1.807 0.089 21 0 "[ . 1 . 2 . 3]"
1 34 ASP 0.783 0.063 18 0 "[ . 1 . 2 . 3]"
1 35 LEU 2.230 0.086 2 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.173 0.035 16 0 "[ . 1 . 2 . 3]"
1 37 ASN 2.363 0.086 2 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.357 0.049 9 0 "[ . 1 . 2 . 3]"
1 39 LYS 3.170 0.142 28 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.103 0.041 28 0 "[ . 1 . 2 . 3]"
1 41 CYS 4.056 0.119 7 0 "[ . 1 . 2 . 3]"
1 42 ILE 3.496 0.090 26 0 "[ . 1 . 2 . 3]"
1 43 GLU 0.300 0.079 24 0 "[ . 1 . 2 . 3]"
1 44 SER 0.247 0.046 10 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.193 0.027 8 0 "[ . 1 . 2 . 3]"
1 46 HIS 1.367 0.128 25 0 "[ . 1 . 2 . 3]"
1 47 SER 1.250 0.107 24 0 "[ . 1 . 2 . 3]"
1 48 MET 1.797 0.107 24 0 "[ . 1 . 2 . 3]"
1 49 ASP 0.699 0.066 7 0 "[ . 1 . 2 . 3]"
1 50 THR 0.073 0.038 25 0 "[ . 1 . 2 . 3]"
1 51 LEU 1.614 0.081 21 0 "[ . 1 . 2 . 3]"
1 52 LEU 3.172 0.098 23 0 "[ . 1 . 2 . 3]"
1 53 ALA 0.995 0.106 1 0 "[ . 1 . 2 . 3]"
1 54 THR 0.602 0.058 3 0 "[ . 1 . 2 . 3]"
1 55 LEU 5.679 0.118 24 0 "[ . 1 . 2 . 3]"
1 56 LYS 2.721 0.116 26 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.601 0.069 26 0 "[ . 1 . 2 . 3]"
1 58 THR 0.073 0.019 15 0 "[ . 1 . 2 . 3]"
1 59 GLY 1.146 0.085 18 0 "[ . 1 . 2 . 3]"
1 60 LYS 1.730 0.075 28 0 "[ . 1 . 2 . 3]"
1 61 THR 3.559 0.075 28 0 "[ . 1 . 2 . 3]"
1 62 VAL 1.680 0.071 26 0 "[ . 1 . 2 . 3]"
1 63 SER 0.782 0.071 26 0 "[ . 1 . 2 . 3]"
1 64 TYR 0.075 0.027 2 0 "[ . 1 . 2 . 3]"
1 65 LEU 0.389 0.055 27 0 "[ . 1 . 2 . 3]"
1 66 GLY 0.196 0.045 10 0 "[ . 1 . 2 . 3]"
1 67 LEU 0.727 0.072 16 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.039 0.027 6 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 PRO HB2 1 43 GLU QG . . 6.000 5.215 4.343 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 PRO HB2 1 46 HIS H . . 6.600 5.782 3.348 6.728 0.128 25 0 "[ . 1 . 2 . 3]" 1
3 1 2 PRO HB2 1 67 LEU QD . . 8.470 3.762 2.137 5.929 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 PRO HB3 1 67 LEU MD1 . . 7.600 4.006 2.545 6.429 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 PRO HB3 1 67 LEU MD2 . . 7.600 4.622 2.549 6.378 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 PRO HD2 1 45 GLU HA . . 5.300 4.487 2.542 5.327 0.027 8 0 "[ . 1 . 2 . 3]" 1
7 1 2 PRO HD3 1 45 GLU HA . . 6.100 4.983 3.261 6.117 0.017 16 0 "[ . 1 . 2 . 3]" 1
8 1 2 PRO QG 1 67 LEU MD1 . . 8.600 4.629 2.455 6.385 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 PRO QG 1 67 LEU MD2 . . 8.600 5.083 2.105 6.400 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 LYS H 1 4 HIS H . . 4.500 4.378 4.030 4.518 0.018 21 0 "[ . 1 . 2 . 3]" 1
11 1 3 LYS H 1 43 GLU QB . . 7.480 5.805 5.171 6.407 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 LYS H 1 43 GLU QG . . 6.700 4.363 3.623 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 LYS HA 1 4 HIS H . . 3.200 2.221 2.096 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 LYS HA 1 42 ILE H . . 5.800 4.988 4.140 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 LYS HA 1 43 GLU HA . . 3.700 2.458 2.097 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 LYS HA 1 43 GLU QG . . 6.400 2.849 2.023 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 LYS QB 1 4 HIS H . . 4.980 3.259 2.346 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 LYS QB 1 43 GLU HA . . 7.480 3.646 2.051 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 LYS QB 1 68 GLU H . . 6.180 3.648 2.240 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 LYS QE 1 43 GLU QG . . 8.400 4.527 2.324 5.821 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 LYS QG 1 4 HIS H . . 6.250 3.283 2.274 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 LYS QG 1 43 GLU HA . . 5.550 4.053 2.609 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 LYS QG 1 43 GLU QB . . 6.850 3.840 2.375 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 LYS QG 1 43 GLU QG . . 6.240 3.164 2.105 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 LYS HG2 1 4 HIS H . . 6.600 3.788 2.287 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 LYS HG2 1 43 GLU HA . . 6.000 4.705 2.909 5.850 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 LYS HG2 1 43 GLU QG . . 6.400 3.789 2.278 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 LYS HG3 1 4 HIS H . . 6.600 3.911 2.774 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 LYS HG3 1 43 GLU HA . . 6.000 4.668 2.643 5.812 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 LYS HG3 1 43 GLU QG . . 6.400 3.761 2.314 5.703 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 HIS H 1 4 HIS HB2 . . 3.800 2.784 2.372 3.819 0.019 30 0 "[ . 1 . 2 . 3]" 1
32 1 4 HIS H 1 6 PHE QD . . 8.500 5.325 4.863 5.934 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 HIS H 1 42 ILE H . . 4.600 3.267 2.695 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 HIS H 1 42 ILE HB . . 5.800 3.506 3.150 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 HIS H 1 43 GLU HA . . 4.700 3.549 3.187 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 HIS HA 1 5 GLU H . . 3.400 2.209 2.055 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 HIS HA 1 64 TYR QE . . 8.000 3.140 2.177 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 HIS HA 1 67 LEU QD . . 8.170 4.016 2.422 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 HIS HB2 1 5 GLU H . . 4.900 4.331 3.332 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 HIS HB2 1 6 PHE QD . . 6.900 3.948 2.935 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 HIS HB2 1 42 ILE HB . . 5.400 2.765 2.153 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 HIS HB2 1 51 LEU HB2 . . 5.100 4.651 3.708 5.148 0.048 24 0 "[ . 1 . 2 . 3]" 1
43 1 4 HIS HB2 1 51 LEU MD1 . . 5.900 2.950 2.120 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 HIS HB2 1 52 LEU QD . . 7.970 5.669 4.048 5.947 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 HIS HB2 1 64 TYR QE . . 7.400 3.914 2.281 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 HIS HB3 1 5 GLU H . . 3.900 3.789 3.450 3.944 0.044 13 0 "[ . 1 . 2 . 3]" 1
47 1 4 HIS HB3 1 6 PHE QD . . 7.200 4.090 2.651 5.620 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 HIS HB3 1 42 ILE HB . . 5.800 4.224 3.255 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 HIS HB3 1 51 LEU MD1 . . 6.200 3.823 2.582 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 HIS HB3 1 64 TYR QE . . 6.500 2.530 2.161 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 GLU H 1 5 GLU HB2 . . 4.200 2.631 2.168 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 GLU H 1 5 GLU HB3 . . 3.700 2.964 2.370 3.707 0.007 17 0 "[ . 1 . 2 . 3]" 1
53 1 5 GLU H 1 5 GLU HG2 . . 5.600 4.241 3.411 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 GLU H 1 5 GLU QG . . 5.140 3.661 2.401 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 GLU H 1 5 GLU HG3 . . 5.600 4.080 2.450 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 GLU H 1 6 PHE QD . . 8.600 4.611 4.333 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 GLU H 1 64 TYR QE . . 7.900 3.732 2.601 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 GLU H 1 65 LEU MD2 . . 7.600 5.655 4.610 6.112 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 GLU H 1 66 GLY H . . 5.500 5.193 3.877 5.524 0.024 22 0 "[ . 1 . 2 . 3]" 1
60 1 5 GLU HA 1 6 PHE H . . 3.000 2.199 2.126 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 GLU HA 1 6 PHE QD . . 7.800 3.337 2.786 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 GLU HA 1 40 VAL H . . 5.300 4.729 4.355 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 GLU HA 1 41 CYS HA . . 3.500 2.210 1.991 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 GLU HA 1 41 CYS HB2 . . 6.600 5.009 4.225 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 GLU HA 1 41 CYS HB3 . . 6.500 4.157 3.047 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 GLU HA 1 42 ILE H . . 5.000 3.055 2.601 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLU HA 1 42 ILE MG . . 7.600 6.138 5.332 6.381 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 GLU HB2 1 6 PHE H . . 4.500 4.156 3.783 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 GLU HB2 1 41 CYS HA . . 5.000 4.153 3.472 5.016 0.016 18 0 "[ . 1 . 2 . 3]" 1
70 1 5 GLU HB2 1 41 CYS HB2 . . 6.500 6.162 5.703 6.619 0.119 7 0 "[ . 1 . 2 . 3]" 1
71 1 5 GLU HB2 1 41 CYS HB3 . . 6.400 4.989 4.450 5.877 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 GLU HB2 1 65 LEU QB . . 6.300 3.252 1.888 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 GLU HB2 1 65 LEU MD1 . . 5.600 4.393 3.671 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 GLU HB3 1 6 PHE H . . 4.100 3.663 2.621 4.129 0.029 24 0 "[ . 1 . 2 . 3]" 1
75 1 5 GLU HB3 1 6 PHE HA . . 4.700 4.572 4.096 4.728 0.028 26 0 "[ . 1 . 2 . 3]" 1
76 1 5 GLU HB3 1 6 PHE QD . . 8.600 5.312 4.736 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 GLU HB3 1 65 LEU HA . . 5.600 5.222 4.556 5.655 0.055 27 0 "[ . 1 . 2 . 3]" 1
78 1 5 GLU HB3 1 65 LEU QB . . 5.900 2.316 2.094 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 GLU HB3 1 65 LEU MD1 . . 6.100 3.400 2.367 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 GLU HB3 1 65 LEU MD2 . . 5.800 3.650 2.605 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 GLU HB3 1 66 GLY H . . 6.300 4.919 3.921 6.072 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 5 GLU QG 1 6 PHE H . . 6.340 3.001 2.207 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 5 GLU QG 1 41 CYS HA . . 6.280 3.083 2.013 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 5 GLU QG 1 41 CYS HB2 . . 6.780 4.506 3.560 5.568 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 5 GLU QG 1 41 CYS HB3 . . 6.580 3.806 2.226 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 5 GLU HG2 1 6 PHE H . . 6.600 3.339 2.226 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 GLU HG3 1 6 PHE H . . 6.600 3.679 2.559 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 6 PHE H 1 6 PHE HB2 . . 3.600 2.691 2.522 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 PHE H 1 6 PHE HB3 . . 4.000 3.797 3.692 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 6 PHE H 1 39 LYS HA . . 5.800 4.774 4.521 5.209 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 PHE H 1 40 VAL H . . 3.300 3.013 2.819 3.309 0.009 18 0 "[ . 1 . 2 . 3]" 1
92 1 6 PHE H 1 40 VAL HB . . 5.400 3.553 3.279 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 6 PHE H 1 41 CYS HA . . 4.400 3.331 2.586 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 PHE H 1 55 LEU QD . . 9.170 4.555 4.274 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 6 PHE H 1 65 LEU MD2 . . 7.000 5.463 4.467 5.848 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 6 PHE HA 1 7 SER H . . 3.100 2.176 2.128 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 6 PHE HA 1 7 SER HB2 . . 4.700 4.680 4.357 4.731 0.031 17 0 "[ . 1 . 2 . 3]" 1
98 1 6 PHE HA 1 7 SER HB3 . . 4.800 4.720 4.507 4.856 0.056 22 0 "[ . 1 . 2 . 3]" 1
99 1 6 PHE HA 1 40 VAL MG2 . . 6.900 5.768 5.606 5.818 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 6 PHE HA 1 64 TYR HA . . 4.000 2.463 2.219 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 PHE HA 1 64 TYR QD . . 8.600 3.935 3.073 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 6 PHE HA 1 65 LEU H . . 3.900 2.823 2.460 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 6 PHE HA 1 65 LEU QB . . 7.200 3.746 2.803 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 6 PHE HA 1 65 LEU MD1 . . 6.000 2.699 2.213 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 PHE HA 1 65 LEU MD2 . . 7.400 4.707 2.508 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 PHE HA 1 65 LEU HG . . 5.100 4.851 3.524 5.126 0.026 27 0 "[ . 1 . 2 . 3]" 1
107 1 6 PHE HB2 1 7 SER H . . 4.600 4.141 3.915 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 6 PHE HB2 1 8 VAL MG2 . . 4.700 2.861 2.390 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 6 PHE HB2 1 40 VAL H . . 6.100 3.467 3.181 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 6 PHE HB2 1 40 VAL HB . . 4.800 2.384 2.149 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 6 PHE HB2 1 55 LEU QD . . 7.970 2.673 2.338 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 6 PHE HB2 1 62 VAL QG . . 9.160 3.610 3.237 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 6 PHE HB3 1 7 SER H . . 3.700 3.168 2.864 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 6 PHE HB3 1 40 VAL HB . . 4.800 3.883 3.336 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 6 PHE HB3 1 55 LEU QD . . 7.970 2.921 2.548 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 6 PHE HB3 1 62 VAL MG1 . . 6.100 5.014 3.580 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 6 PHE HB3 1 62 VAL QG . . 5.550 2.511 2.258 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 6 PHE HB3 1 62 VAL MG2 . . 6.100 2.610 2.261 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 6 PHE QD 1 7 SER H . . 8.600 4.371 3.971 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 6 PHE QD 1 40 VAL HB . . 8.600 3.787 3.217 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 6 PHE QD 1 40 VAL MG1 . . 9.600 3.943 2.373 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 6 PHE QD 1 42 ILE H . . 8.600 3.512 3.192 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 6 PHE QD 1 42 ILE HB . . 7.300 3.849 2.624 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 6 PHE QD 1 42 ILE MD . . 8.000 2.630 2.150 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 6 PHE QD 1 42 ILE HG12 . . 8.600 4.477 3.779 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 6 PHE QD 1 42 ILE MG . . 9.600 4.916 3.648 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 6 PHE QD 1 48 MET HG3 . . 8.600 7.658 7.434 7.700 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 6 PHE QD 1 51 LEU H . . 8.600 7.608 7.333 7.723 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 6 PHE QD 1 51 LEU MD2 . . 9.600 6.283 5.589 7.044 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 6 PHE QD 1 52 LEU H . . 7.700 5.938 5.507 6.205 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 6 PHE QD 1 52 LEU HA . . 7.200 4.371 4.021 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 6 PHE QD 1 52 LEU HB2 . . 7.200 6.262 4.339 6.473 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 6 PHE QD 1 52 LEU HB3 . . 8.200 6.287 5.790 7.080 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 6 PHE QD 1 52 LEU MD1 . . 8.700 4.263 2.327 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 6 PHE QD 1 52 LEU QD . . 8.020 3.537 2.300 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 6 PHE QD 1 52 LEU MD2 . . 8.700 4.284 2.884 5.761 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 6 PHE QD 1 55 LEU QD . . 9.970 2.709 2.516 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 6 PHE QD 1 62 VAL MG1 . . 9.600 4.537 4.083 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 6 PHE QD 1 62 VAL QG . . 8.610 2.552 2.085 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 6 PHE QD 1 62 VAL MG2 . . 9.600 2.593 2.090 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 6 PHE QD 1 64 TYR H . . 8.600 4.157 3.591 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 6 PHE QD 1 64 TYR HA . . 7.000 2.871 2.334 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 6 PHE QD 1 64 TYR QB . . 8.800 3.108 2.703 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 6 PHE QD 1 64 TYR QD . . 10.600 3.372 2.767 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 6 PHE QD 1 64 TYR QE . . 10.600 4.633 3.803 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 6 PHE QD 1 65 LEU H . . 8.600 4.339 4.020 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 6 PHE QD 1 65 LEU MD2 . . 9.600 6.442 4.655 6.845 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 6 PHE QE 1 42 ILE HB . . 7.200 3.190 2.572 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 6 PHE QE 1 42 ILE MD . . 9.600 2.381 2.154 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 6 PHE QE 1 48 MET HA . . 7.600 4.264 3.799 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 6 PHE QE 1 48 MET HG2 . . 7.800 6.574 5.743 6.953 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 6 PHE QE 1 51 LEU HB3 . . 7.300 3.270 2.560 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 6 PHE QE 1 51 LEU MD1 . . 8.000 2.706 2.150 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 6 PHE QE 1 52 LEU HA . . 8.600 2.476 2.100 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 6 PHE QE 1 52 LEU QD . . 11.170 2.217 1.911 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 6 PHE QE 1 55 LEU QD . . 11.170 3.018 2.722 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 6 PHE QE 1 64 TYR QD . . 10.600 3.098 2.324 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 6 PHE QE 1 64 TYR QE . . 10.600 3.807 3.039 5.980 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 7 SER H 1 7 SER HB2 . . 3.600 2.946 2.729 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 7 SER H 1 7 SER HB3 . . 3.600 2.609 2.411 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 7 SER H 1 8 VAL H . . 5.100 4.458 4.349 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 7 SER H 1 8 VAL MG2 . . 7.600 3.768 3.276 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 7 SER H 1 62 VAL QG . . 8.360 4.342 3.801 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 7 SER H 1 63 SER H . . 4.000 3.314 2.939 4.004 0.004 15 0 "[ . 1 . 2 . 3]" 1
165 1 7 SER H 1 63 SER HA . . 5.500 4.875 4.693 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 7 SER H 1 64 TYR HA . . 5.100 3.763 3.495 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 7 SER H 1 65 LEU H . . 6.600 4.253 3.943 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 7 SER H 1 65 LEU QB . . 7.600 4.486 3.545 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 7 SER H 1 65 LEU MD1 . . 7.400 2.408 1.950 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 7 SER H 1 65 LEU MD2 . . 6.000 4.281 2.058 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 7 SER H 1 65 LEU HG . . 4.800 4.538 3.140 4.820 0.020 30 0 "[ . 1 . 2 . 3]" 1
172 1 7 SER HA 1 8 VAL H . . 3.000 2.226 2.107 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 7 SER HA 1 8 VAL MG2 . . 6.800 3.251 2.804 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 7 SER HA 1 39 LYS H . . 6.600 4.925 4.720 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 7 SER HA 1 39 LYS HA . . 3.700 2.265 2.049 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 7 SER HA 1 39 LYS HB2 . . 6.500 4.403 2.762 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 7 SER HA 1 39 LYS HB3 . . 5.700 4.101 2.922 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 7 SER HA 1 39 LYS HG2 . . 6.600 2.624 2.189 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 7 SER HA 1 39 LYS HG3 . . 6.600 3.115 2.247 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 7 SER HA 1 40 VAL H . . 4.800 3.500 3.181 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 7 SER HA 1 65 LEU QB . . 7.600 5.961 4.774 6.603 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 7 SER HA 1 65 LEU MD1 . . 6.300 3.698 3.384 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 7 SER HA 1 65 LEU MD2 . . 6.600 5.011 3.786 5.498 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 7 SER HB2 1 8 VAL H . . 4.200 4.171 3.905 4.245 0.045 22 0 "[ . 1 . 2 . 3]" 1
185 1 7 SER HB2 1 39 LYS HA . . 6.300 4.488 4.181 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 7 SER HB2 1 63 SER H . . 5.500 5.254 4.838 5.539 0.039 2 0 "[ . 1 . 2 . 3]" 1
187 1 7 SER HB2 1 65 LEU QB . . 7.600 4.908 4.026 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 7 SER HB2 1 65 LEU MD1 . . 4.900 2.272 1.991 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 7 SER HB2 1 65 LEU MD2 . . 5.300 3.292 2.216 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 7 SER HB2 1 65 LEU HG . . 5.100 4.455 2.273 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 7 SER HB3 1 8 VAL H . . 4.400 4.060 3.711 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 7 SER HB3 1 63 SER H . . 5.200 3.824 3.307 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 7 SER HB3 1 65 LEU QB . . 6.600 5.621 4.884 5.896 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 7 SER HB3 1 65 LEU MD1 . . 4.800 2.709 2.314 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 7 SER HB3 1 65 LEU MD2 . . 5.200 4.060 2.283 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 7 SER HB3 1 65 LEU HG . . 5.400 4.789 3.500 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 8 VAL H 1 8 VAL HB . . 3.600 2.752 2.539 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 8 VAL H 1 8 VAL MG2 . . 4.300 2.882 2.612 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 8 VAL H 1 9 ASP H . . 4.700 4.242 3.903 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 8 VAL H 1 38 LYS HB2 . . 5.400 4.017 3.419 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 8 VAL H 1 38 LYS QB . . 5.080 3.285 2.947 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 8 VAL H 1 38 LYS HB3 . . 5.400 3.668 3.021 5.405 0.005 11 0 "[ . 1 . 2 . 3]" 1
203 1 8 VAL H 1 39 LYS HA . . 4.100 2.684 2.331 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 8 VAL H 1 40 VAL H . . 5.400 4.402 3.923 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 8 VAL HA 1 9 ASP H . . 3.300 2.334 2.105 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 8 VAL HB 1 9 ASP H . . 4.300 3.855 2.912 4.353 0.053 12 0 "[ . 1 . 2 . 3]" 1
207 1 8 VAL HB 1 10 MET HG2 . . 4.700 3.673 2.288 4.751 0.051 30 0 "[ . 1 . 2 . 3]" 1
208 1 8 VAL HB 1 10 MET QG . . 4.520 2.772 2.198 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 8 VAL HB 1 10 MET HG3 . . 4.700 3.215 2.218 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 8 VAL HB 1 38 LYS HA . . 4.400 4.327 3.941 4.449 0.049 9 0 "[ . 1 . 2 . 3]" 1
211 1 8 VAL HB 1 62 VAL QG . . 6.960 4.603 3.939 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 8 VAL MG1 1 9 ASP H . . 5.800 2.441 1.809 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 8 VAL MG1 1 10 MET H . . 6.900 3.741 2.515 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 8 VAL MG1 1 10 MET HG2 . . 5.800 3.120 2.313 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 8 VAL MG1 1 10 MET HG3 . . 5.800 3.069 2.199 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 8 VAL MG1 1 39 LYS QG . . 8.480 6.145 5.724 6.334 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 8 VAL MG1 1 40 VAL MG2 . . 7.600 3.004 2.270 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 8 VAL MG1 1 55 LEU QD . . 7.870 3.478 3.078 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 8 VAL MG1 1 60 LYS H . . 7.600 4.509 3.728 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 8 VAL MG1 1 60 LYS HB3 . . 6.300 3.471 2.492 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 8 VAL MG1 1 60 LYS HG3 . . 6.700 3.484 2.351 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 8 VAL MG1 1 62 VAL HA . . 7.100 3.185 2.395 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 8 VAL MG1 1 62 VAL HB . . 5.400 2.614 2.157 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 8 VAL MG1 1 62 VAL QG . . 7.760 3.002 1.951 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 8 VAL MG2 1 9 ASP H . . 5.800 4.033 3.798 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 8 VAL MG2 1 10 MET QG . . 7.680 4.022 3.322 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 8 VAL MG2 1 39 LYS HA . . 6.000 3.101 2.324 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 8 VAL MG2 1 55 LEU MD1 . . 5.700 3.104 2.612 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 8 VAL MG2 1 55 LEU QD . . 5.230 2.800 2.431 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 8 VAL MG2 1 55 LEU MD2 . . 5.700 3.208 2.753 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 8 VAL MG2 1 62 VAL HA . . 6.800 2.596 2.197 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 8 VAL MG2 1 63 SER H . . 6.300 3.559 3.143 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 9 ASP H 1 9 ASP HB2 . . 3.400 2.932 2.266 3.434 0.034 20 0 "[ . 1 . 2 . 3]" 1
234 1 9 ASP H 1 9 ASP HB3 . . 3.500 2.606 2.235 3.537 0.037 14 0 "[ . 1 . 2 . 3]" 1
235 1 9 ASP H 1 10 MET H . . 4.300 3.966 3.061 4.363 0.063 29 0 "[ . 1 . 2 . 3]" 1
236 1 9 ASP H 1 39 LYS HA . . 6.600 6.573 6.073 6.663 0.063 11 0 "[ . 1 . 2 . 3]" 1
237 1 9 ASP H 1 60 LYS HB2 . . 5.300 3.577 2.731 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 9 ASP H 1 60 LYS HB3 . . 6.500 3.408 2.284 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 9 ASP H 1 60 LYS HG3 . . 6.500 5.038 3.468 6.526 0.026 13 0 "[ . 1 . 2 . 3]" 1
240 1 9 ASP H 1 61 THR H . . 5.400 3.545 2.330 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 9 ASP H 1 61 THR HB . . 4.700 3.313 2.332 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 9 ASP H 1 61 THR MG . . 7.600 4.683 3.461 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 9 ASP H 1 62 VAL HA . . 5.100 3.931 3.016 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 9 ASP H 1 62 VAL QG . . 9.160 4.591 2.827 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 9 ASP HA 1 10 MET H . . 3.300 2.299 2.048 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 9 ASP HA 1 38 LYS HB2 . . 6.300 3.834 2.557 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 9 ASP HA 1 38 LYS QB . . 6.040 2.726 2.160 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 9 ASP HA 1 38 LYS HB3 . . 6.300 2.945 2.191 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 9 ASP HA 1 38 LYS QE . . 6.900 3.981 1.962 5.536 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 9 ASP HB2 1 10 MET H . . 4.600 4.389 3.750 4.620 0.020 21 0 "[ . 1 . 2 . 3]" 1
251 1 9 ASP HB2 1 60 LYS HB2 . . 5.900 5.279 3.185 5.917 0.017 20 0 "[ . 1 . 2 . 3]" 1
252 1 9 ASP HB2 1 60 LYS HB3 . . 6.600 4.223 2.617 5.783 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 9 ASP HB2 1 61 THR H . . 5.500 3.555 2.115 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 9 ASP HB2 1 61 THR HB . . 4.600 2.821 2.139 4.638 0.038 24 0 "[ . 1 . 2 . 3]" 1
255 1 9 ASP HB2 1 61 THR MG . . 7.000 3.943 2.616 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 9 ASP HB3 1 61 THR H . . 4.800 2.820 2.057 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 9 ASP HB3 1 61 THR HB . . 4.800 3.291 2.446 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 9 ASP HB3 1 61 THR MG . . 7.000 4.488 2.427 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 10 MET H 1 10 MET HG2 . . 4.500 3.578 1.990 4.582 0.082 30 0 "[ . 1 . 2 . 3]" 1
260 1 10 MET H 1 10 MET HG3 . . 4.500 3.108 2.268 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 10 MET H 1 11 THR MG . . 7.600 5.262 3.317 6.346 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 10 MET H 1 38 LYS HA . . 6.000 3.329 2.350 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 10 MET H 1 38 LYS HB2 . . 6.100 3.829 2.167 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 10 MET H 1 38 LYS QB . . 5.420 2.545 1.949 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 10 MET H 1 38 LYS HB3 . . 6.100 2.717 1.957 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 10 MET H 1 38 LYS QE . . 7.400 3.979 2.149 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 10 MET HA 1 11 THR H . . 3.500 2.408 2.130 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 10 MET HA 1 12 CYS H . . 6.000 3.499 2.957 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 10 MET HA 1 15 CYS HB2 . . 5.400 2.295 2.095 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 10 MET HA 1 15 CYS HB3 . . 4.800 2.456 2.128 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 10 MET QB 1 12 CYS H . . 7.200 3.864 3.128 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 10 MET QB 1 38 LYS QE . . 6.900 4.675 2.110 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 10 MET QG 1 16 ALA H . . 7.380 4.138 3.084 5.652 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 10 MET QG 1 19 VAL MG2 . . 7.580 3.195 2.354 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 10 MET QG 1 33 ILE MG . . 6.640 4.250 3.159 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 10 MET QG 1 38 LYS HA . . 6.780 3.218 2.136 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 10 MET HG2 1 33 ILE MG . . 6.800 4.789 3.634 5.529 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 10 MET HG3 1 33 ILE MG . . 6.800 4.956 3.222 5.672 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 11 THR H 1 12 CYS H . . 3.600 2.703 2.013 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 11 THR H 1 15 CYS HB2 . . 5.100 3.562 2.632 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 11 THR H 1 15 CYS HB3 . . 5.300 4.092 3.438 5.197 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 11 THR HB 1 12 CYS H . . 5.900 3.858 2.567 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 11 THR MG 1 12 CYS H . . 7.600 3.586 2.213 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 11 THR MG 1 38 LYS QE . . 8.600 4.933 2.513 6.384 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 12 CYS H 1 15 CYS H . . 4.400 3.339 2.950 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 12 CYS H 1 15 CYS HB2 . . 4.300 2.986 2.420 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 12 CYS H 1 15 CYS HB3 . . 5.000 4.420 3.995 5.012 0.012 18 0 "[ . 1 . 2 . 3]" 1
288 1 12 CYS H 1 35 LEU MD1 . . 7.200 5.312 3.511 6.010 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 12 CYS H 1 35 LEU QD . . 6.630 3.628 2.129 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 12 CYS H 1 35 LEU MD2 . . 7.200 4.134 2.145 6.007 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 12 CYS HA 1 35 LEU QD . . 8.970 3.411 2.790 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 12 CYS HB2 1 14 GLY H . . 6.000 3.140 2.876 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 12 CYS HB3 1 14 GLY H . . 6.600 4.534 4.168 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 14 GLY H 1 15 CYS H . . 3.800 2.912 2.754 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 14 GLY QA 1 16 ALA H . . 4.950 4.017 3.607 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 14 GLY QA 1 35 LEU QD . . 7.280 4.854 4.836 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 14 GLY HA2 1 16 ALA H . . 5.500 4.345 3.765 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 14 GLY HA2 1 35 LEU MD1 . . 9.340 6.130 5.457 7.072 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 14 GLY HA2 1 35 LEU MD2 . . 9.340 6.002 5.583 6.646 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 14 GLY HA3 1 16 ALA H . . 5.500 4.747 4.620 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 14 GLY HA3 1 35 LEU MD1 . . 9.340 6.613 5.774 7.557 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 14 GLY HA3 1 35 LEU MD2 . . 9.340 6.240 5.556 7.469 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 15 CYS H 1 15 CYS HB2 . . 3.700 2.392 2.252 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 15 CYS H 1 16 ALA H . . 3.500 2.584 2.492 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 15 CYS H 1 16 ALA MB . . 5.700 4.303 4.205 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 15 CYS H 1 17 GLU H . . 4.600 4.115 4.006 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 15 CYS H 1 18 ALA H . . 4.700 4.636 4.484 4.710 0.010 8 0 "[ . 1 . 2 . 3]" 1
308 1 15 CYS H 1 35 LEU QD . . 9.170 3.944 3.520 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 15 CYS HA 1 18 ALA H . . 5.900 3.365 3.174 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 15 CYS HA 1 18 ALA MB . . 5.100 2.503 2.331 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 15 CYS HA 1 60 LYS QE . . 5.880 4.475 2.418 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 15 CYS HB2 1 16 ALA H . . 4.100 2.665 2.434 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 15 CYS HB3 1 16 ALA H . . 4.700 3.662 3.465 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 16 ALA H 1 16 ALA MB . . 3.400 2.264 2.233 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 16 ALA H 1 17 GLU H . . 3.600 2.644 2.489 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 16 ALA H 1 35 LEU MD1 . . 7.600 3.864 2.945 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 16 ALA H 1 35 LEU QD . . 7.330 2.838 2.450 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 16 ALA H 1 35 LEU MD2 . . 7.600 3.138 2.511 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 16 ALA HA 1 17 GLU H . . 3.600 3.595 3.559 3.627 0.027 23 0 "[ . 1 . 2 . 3]" 1
320 1 16 ALA HA 1 18 ALA H . . 5.000 4.593 4.488 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 16 ALA HA 1 19 VAL H . . 5.400 3.465 3.262 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 16 ALA HA 1 19 VAL HB . . 3.900 2.559 2.325 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 16 ALA HA 1 19 VAL MG1 . . 5.500 3.899 3.667 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 16 ALA HA 1 19 VAL MG2 . . 4.900 3.162 2.751 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 16 ALA HA 1 33 ILE MD . . 6.200 4.508 3.533 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 16 ALA HA 1 33 ILE MG . . 5.900 3.394 2.871 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 16 ALA MB 1 17 GLU H . . 3.800 2.504 2.392 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 16 ALA MB 1 18 ALA H . . 5.800 4.661 4.546 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 16 ALA MB 1 19 VAL H . . 5.700 4.687 4.556 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 16 ALA MB 1 19 VAL HB . . 7.100 4.049 3.800 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 16 ALA MB 1 33 ILE MD . . 6.200 3.358 2.712 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 16 ALA MB 1 33 ILE MG . . 5.400 2.130 1.987 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 17 GLU H 1 17 GLU HB2 . . 3.400 2.427 2.119 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 17 GLU H 1 17 GLU HB3 . . 3.600 3.242 2.350 3.628 0.028 11 0 "[ . 1 . 2 . 3]" 1
335 1 17 GLU H 1 17 GLU HG2 . . 4.600 3.805 2.067 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 17 GLU H 1 17 GLU HG3 . . 4.200 3.015 2.041 4.312 0.112 23 0 "[ . 1 . 2 . 3]" 1
337 1 17 GLU H 1 18 ALA H . . 3.500 2.870 2.756 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 17 GLU H 1 18 ALA MB . . 5.800 4.481 4.355 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 17 GLU H 1 19 VAL H . . 5.900 4.394 4.298 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 17 GLU HA 1 17 GLU HG2 . . 4.100 2.637 2.267 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 17 GLU HA 1 17 GLU HG3 . . 4.100 2.999 2.580 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 17 GLU HA 1 20 SER H . . 4.700 3.643 3.492 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 17 GLU HB2 1 18 ALA H . . 4.200 2.902 2.209 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 17 GLU HB3 1 18 ALA H . . 4.200 3.054 2.291 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 17 GLU HG2 1 18 ALA H . . 6.600 4.683 3.983 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 17 GLU HG3 1 18 ALA H . . 5.500 4.523 4.150 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 18 ALA H 1 18 ALA MB . . 3.500 2.232 2.208 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 18 ALA H 1 19 VAL H . . 2.900 2.905 2.878 2.921 0.021 30 0 "[ . 1 . 2 . 3]" 1
349 1 18 ALA HA 1 21 ARG H . . 4.100 3.585 3.356 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 18 ALA HA 1 21 ARG HB2 . . 4.300 4.245 3.169 4.331 0.031 14 0 "[ . 1 . 2 . 3]" 1
351 1 18 ALA HA 1 21 ARG HB3 . . 4.300 2.776 2.434 4.365 0.065 30 0 "[ . 1 . 2 . 3]" 1
352 1 18 ALA HA 1 21 ARG QD . . 7.100 3.152 2.213 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 18 ALA HA 1 22 VAL H . . 4.500 4.231 4.045 4.536 0.036 24 0 "[ . 1 . 2 . 3]" 1
354 1 18 ALA HA 1 58 THR MG . . 7.600 5.003 4.099 5.760 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 18 ALA MB 1 19 VAL H . . 3.700 2.402 2.340 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 18 ALA MB 1 19 VAL HA . . 4.600 3.836 3.770 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 18 ALA MB 1 19 VAL MG2 . . 7.100 3.125 2.940 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 18 ALA MB 1 20 SER H . . 5.400 4.507 4.499 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 18 ALA MB 1 58 THR HA . . 6.100 4.010 3.583 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 18 ALA MB 1 58 THR HB . . 6.100 4.046 3.386 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 18 ALA MB 1 58 THR MG . . 5.900 3.402 2.288 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 VAL H 1 19 VAL HB . . 3.000 2.322 2.278 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 19 VAL H 1 19 VAL MG1 . . 4.300 3.644 3.636 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 19 VAL H 1 19 VAL MG2 . . 3.800 2.263 2.156 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 VAL H 1 20 SER H . . 3.400 2.748 2.620 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 19 VAL H 1 21 ARG QB . . 6.980 5.049 4.731 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 VAL H 1 58 THR MG . . 7.600 3.738 3.137 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 VAL HA 1 19 VAL MG1 . . 3.400 2.357 2.233 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 VAL HA 1 19 VAL MG2 . . 3.400 2.415 2.299 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 19 VAL HA 1 21 ARG H . . 6.600 4.690 4.547 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 19 VAL HA 1 22 VAL H . . 4.900 3.408 3.190 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 19 VAL HA 1 22 VAL HB . . 5.200 2.554 2.398 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 19 VAL HA 1 22 VAL MG1 . . 4.100 3.094 2.307 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 19 VAL HA 1 23 LEU H . . 5.000 3.936 3.786 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 19 VAL HA 1 40 VAL MG1 . . 7.300 5.850 5.250 6.099 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 19 VAL HA 1 55 LEU QD . . 9.170 3.428 3.100 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 19 VAL HA 1 58 THR HA . . 5.900 4.888 4.160 5.529 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 19 VAL HA 1 58 THR MG . . 4.900 2.191 1.985 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 19 VAL HB 1 20 SER H . . 3.300 2.505 2.401 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 19 VAL HB 1 20 SER HA . . 6.600 4.417 4.305 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 19 VAL HB 1 20 SER QB . . 7.480 4.031 3.841 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 19 VAL HB 1 23 LEU MD1 . . 7.600 4.648 4.219 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 19 VAL HB 1 33 ILE MD . . 6.500 4.653 3.923 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 19 VAL HB 1 40 VAL MG1 . . 6.400 4.930 4.206 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 19 VAL MG1 1 20 SER H . . 5.400 3.091 2.938 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 19 VAL MG1 1 20 SER HA . . 5.800 3.220 3.021 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 19 VAL MG1 1 22 VAL H . . 7.600 4.474 4.295 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 19 VAL MG1 1 22 VAL MG2 . . 6.800 4.761 4.743 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 19 VAL MG1 1 23 LEU H . . 7.100 3.728 3.559 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 19 VAL MG1 1 23 LEU HB2 . . 6.800 3.321 3.112 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 19 VAL MG1 1 23 LEU HB3 . . 5.600 4.538 4.173 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 19 VAL MG1 1 23 LEU MD1 . . 5.900 2.286 1.968 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 19 VAL MG1 1 23 LEU MD2 . . 6.800 4.363 3.815 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 19 VAL MG1 1 23 LEU HG . . 7.200 3.429 2.713 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 19 VAL MG1 1 24 ASN H . . 7.600 5.433 5.171 5.673 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 19 VAL MG1 1 31 TYR QD . . 9.600 3.774 3.168 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 19 VAL MG1 1 31 TYR QE . . 9.600 3.548 2.298 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 19 VAL MG1 1 33 ILE MD . . 6.000 3.940 3.489 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 19 VAL MG1 1 33 ILE HG12 . . 4.400 3.684 3.608 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 19 VAL MG1 1 33 ILE HG13 . . 7.600 4.753 4.383 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 19 VAL MG1 1 55 LEU MD1 . . 6.800 3.645 3.368 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 19 VAL MG1 1 55 LEU QD . . 5.720 2.034 1.938 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 19 VAL MG1 1 55 LEU MD2 . . 6.800 2.044 1.946 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 19 VAL MG1 1 58 THR MG . . 8.200 2.971 2.421 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 19 VAL MG2 1 20 SER H . . 5.500 3.941 3.869 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 19 VAL MG2 1 22 VAL H . . 7.600 5.195 4.980 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 19 VAL MG2 1 23 LEU MD1 . . 6.800 4.383 3.983 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 19 VAL MG2 1 58 THR HB . . 6.700 3.186 2.532 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 19 VAL MG2 1 58 THR MG . . 5.500 2.044 1.936 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 20 SER H 1 20 SER HB2 . . 3.500 2.283 2.127 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 20 SER H 1 20 SER HB3 . . 3.500 2.757 2.551 3.508 0.008 19 0 "[ . 1 . 2 . 3]" 1
412 1 20 SER H 1 21 ARG H . . 3.600 2.809 2.717 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 20 SER H 1 21 ARG QB . . 7.480 4.447 4.212 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 20 SER H 1 22 VAL H . . 4.900 4.145 3.964 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 20 SER H 1 33 ILE MD . . 7.600 4.280 3.669 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 20 SER HA 1 23 LEU H . . 4.700 3.569 3.425 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 20 SER HA 1 23 LEU HB2 . . 4.200 2.903 2.727 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 20 SER HA 1 23 LEU HB3 . . 4.000 4.046 4.006 4.096 0.096 11 0 "[ . 1 . 2 . 3]" 1
419 1 20 SER HA 1 23 LEU MD1 . . 5.800 3.692 3.412 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 20 SER HA 1 23 LEU MD2 . . 7.600 5.453 5.308 5.575 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 20 SER HA 1 23 LEU HG . . 6.600 5.182 4.732 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 20 SER HA 1 24 ASN H . . 5.300 3.717 3.229 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 20 SER HA 1 31 TYR QD . . 8.600 4.272 3.342 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 20 SER HA 1 31 TYR QE . . 7.400 2.390 2.194 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 20 SER HA 1 33 ILE MD . . 5.300 3.754 3.295 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 20 SER QB 1 33 ILE MD . . 5.330 2.973 2.616 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 20 SER QB 1 33 ILE MG . . 7.080 4.413 3.803 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 20 SER QB 1 58 THR MG . . 8.480 6.237 6.052 6.319 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 20 SER HB2 1 21 ARG H . . 3.500 3.541 2.809 3.607 0.107 24 0 "[ . 1 . 2 . 3]" 1
430 1 20 SER HB2 1 31 TYR QE . . 8.200 3.214 2.783 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 20 SER HB2 1 33 ILE MD . . 5.500 3.028 2.647 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 20 SER HB3 1 21 ARG H . . 3.500 2.374 2.248 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 20 SER HB3 1 31 TYR QE . . 8.200 4.332 3.875 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 20 SER HB3 1 33 ILE MD . . 5.500 4.402 4.047 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 21 ARG H 1 21 ARG HB2 . . 3.200 3.205 2.790 3.259 0.059 25 0 "[ . 1 . 2 . 3]" 1
436 1 21 ARG H 1 21 ARG QB . . 2.980 2.064 1.991 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 21 ARG H 1 21 ARG HB3 . . 3.200 2.111 2.022 3.404 0.204 30 0 "[ . 1 . 2 . 3]" 1
438 1 21 ARG H 1 21 ARG HG2 . . 3.900 3.606 2.356 3.918 0.018 11 0 "[ . 1 . 2 . 3]" 1
439 1 21 ARG H 1 21 ARG HG3 . . 4.700 4.313 1.932 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 21 ARG H 1 22 VAL H . . 3.600 2.907 2.632 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 21 ARG H 1 22 VAL MG1 . . 6.800 5.490 4.920 5.677 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 21 ARG H 1 23 LEU H . . 5.300 4.476 4.235 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 21 ARG HA 1 21 ARG QB . . 2.750 2.120 2.089 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 21 ARG HA 1 21 ARG HG2 . . 4.000 3.827 2.643 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 21 ARG HA 1 21 ARG HG3 . . 3.400 3.363 3.190 3.475 0.075 30 0 "[ . 1 . 2 . 3]" 1
446 1 21 ARG HA 1 24 ASN H . . 4.900 3.708 3.376 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 21 ARG HA 1 24 ASN HB2 . . 3.800 3.670 3.287 3.841 0.041 24 0 "[ . 1 . 2 . 3]" 1
448 1 21 ARG HA 1 24 ASN HB3 . . 3.400 2.682 2.468 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 21 ARG HA 1 24 ASN HD21 . . 6.500 6.160 5.915 6.483 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 21 ARG HA 1 25 LYS H . . 5.700 4.181 3.914 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 21 ARG QB 1 22 VAL MG1 . . 7.880 5.600 4.835 5.796 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 21 ARG HB2 1 22 VAL H . . 4.500 4.161 2.410 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 21 ARG HB3 1 22 VAL H . . 4.500 3.396 2.880 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 21 ARG HG2 1 22 VAL H . . 5.700 2.688 2.386 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 21 ARG HG3 1 22 VAL H . . 6.500 3.488 3.301 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 21 ARG HG3 1 22 VAL HB . . 4.700 4.736 4.669 4.812 0.112 30 0 "[ . 1 . 2 . 3]" 1
457 1 22 VAL H 1 22 VAL HB . . 4.000 1.993 1.950 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 22 VAL H 1 22 VAL MG1 . . 3.900 3.291 2.945 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 22 VAL H 1 22 VAL MG2 . . 4.200 2.950 2.528 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 22 VAL H 1 23 LEU H . . 2.600 2.612 2.528 2.637 0.037 2 0 "[ . 1 . 2 . 3]" 1
461 1 22 VAL H 1 23 LEU HB2 . . 5.400 4.461 4.342 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 22 VAL H 1 24 ASN H . . 6.300 3.951 3.668 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 22 VAL HA 1 22 VAL MG2 . . 3.400 2.218 2.074 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 22 VAL HA 1 24 ASN H . . 5.400 4.525 4.190 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 22 VAL HA 1 25 LYS H . . 4.800 3.581 3.451 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 22 VAL HA 1 25 LYS HB2 . . 4.100 2.887 2.548 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 22 VAL HA 1 25 LYS HB3 . . 4.200 3.887 3.416 4.235 0.035 14 0 "[ . 1 . 2 . 3]" 1
468 1 22 VAL HA 1 25 LYS QD . . 6.200 4.342 2.965 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 22 VAL HA 1 25 LYS QG . . 5.900 4.451 3.672 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 22 VAL HA 1 26 LEU H . . 6.000 4.888 4.557 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 22 VAL HB 1 23 LEU H . . 4.700 2.906 2.582 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 22 VAL HB 1 25 LYS H . . 6.600 5.690 5.525 6.016 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 22 VAL HB 1 55 LEU QD . . 8.370 4.052 3.775 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 22 VAL HB 1 58 THR MG . . 6.100 2.744 2.422 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 22 VAL MG1 1 23 LEU H . . 5.400 2.357 2.023 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 22 VAL MG1 1 23 LEU MD2 . . 7.300 3.694 3.023 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 22 VAL MG1 1 23 LEU HG . . 4.600 2.581 2.154 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 22 VAL MG1 1 24 ASN H . . 7.600 4.513 4.315 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 22 VAL MG1 1 55 LEU HA . . 4.600 2.301 2.085 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 22 VAL MG1 1 55 LEU HB2 . . 5.800 4.545 4.241 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 22 VAL MG1 1 55 LEU QD . . 6.870 2.451 2.034 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 22 VAL MG1 1 58 THR H . . 7.600 3.167 2.656 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 22 VAL MG1 1 58 THR HA . . 6.500 4.272 3.572 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 22 VAL MG1 1 58 THR MG . . 5.000 2.155 1.986 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 22 VAL MG2 1 23 LEU H . . 6.000 4.054 3.929 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 22 VAL MG2 1 23 LEU MD1 . . 8.600 5.715 5.366 5.950 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 22 VAL MG2 1 25 LYS H . . 6.200 5.161 5.031 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 22 VAL MG2 1 58 THR H . . 7.600 3.246 2.508 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 22 VAL MG2 1 58 THR MG . . 4.800 2.381 2.081 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 23 LEU H 1 23 LEU HB2 . . 3.200 2.118 2.074 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 23 LEU H 1 23 LEU HB3 . . 3.700 3.427 3.371 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 23 LEU H 1 23 LEU MD1 . . 5.300 3.640 3.521 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 23 LEU H 1 23 LEU MD2 . . 5.000 4.071 3.795 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 23 LEU H 1 23 LEU HG . . 3.800 3.070 2.842 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 23 LEU H 1 24 ASN H . . 3.300 2.644 2.541 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 23 LEU H 1 55 LEU QD . . 9.170 4.070 3.683 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 23 LEU HA 1 23 LEU HB3 . . 2.900 2.786 2.708 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 23 LEU HA 1 23 LEU MD1 . . 4.800 3.742 3.676 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 LEU HA 1 23 LEU MD2 . . 4.000 2.072 1.997 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 23 LEU HA 1 23 LEU HG . . 3.600 2.519 2.338 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 23 LEU HA 1 26 LEU H . . 4.000 3.145 2.751 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 23 LEU HA 1 26 LEU HB2 . . 3.800 3.204 2.334 3.823 0.023 7 0 "[ . 1 . 2 . 3]" 1
503 1 23 LEU HA 1 26 LEU HB3 . . 3.500 3.086 2.680 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 23 LEU HA 1 26 LEU MD1 . . 5.900 4.882 4.014 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 23 LEU HA 1 29 VAL MG1 . . 5.400 4.075 3.761 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 23 LEU HA 1 54 THR MG . . 4.300 2.498 2.042 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 23 LEU HA 1 55 LEU HB2 . . 6.200 6.276 6.219 6.318 0.118 24 0 "[ . 1 . 2 . 3]" 1
508 1 23 LEU HB2 1 23 LEU MD1 . . 3.500 2.207 2.159 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 23 LEU HB2 1 24 ASN H . . 3.500 3.058 2.851 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 23 LEU HB2 1 31 TYR QD . . 8.600 4.241 3.591 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 23 LEU HB2 1 31 TYR QE . . 8.300 3.545 3.127 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 23 LEU HB3 1 23 LEU MD1 . . 3.400 2.438 2.320 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 23 LEU HB3 1 24 ASN H . . 4.100 3.348 3.056 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 23 LEU HB3 1 31 TYR QD . . 7.700 3.427 2.465 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 23 LEU HB3 1 31 TYR QE . . 8.000 2.965 2.362 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 23 LEU MD1 1 24 ASN H . . 7.600 4.772 4.545 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 23 LEU MD1 1 29 VAL HB . . 6.500 3.978 3.632 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 23 LEU MD1 1 29 VAL MG1 . . 6.000 4.067 3.678 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 23 LEU MD1 1 29 VAL MG2 . . 5.000 3.483 3.430 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 23 LEU MD1 1 31 TYR HA . . 7.600 4.837 3.956 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 23 LEU MD1 1 31 TYR QB . . 6.700 2.651 1.964 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 23 LEU MD1 1 31 TYR QD . . 8.400 2.829 2.598 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 23 LEU MD1 1 31 TYR QE . . 9.500 3.376 2.746 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 23 LEU MD1 1 33 ILE MD . . 8.600 4.445 4.042 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 23 LEU MD1 1 40 VAL MG1 . . 7.100 2.293 1.999 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 23 LEU MD1 1 42 ILE MD . . 6.700 2.054 1.885 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 23 LEU MD1 1 42 ILE HG12 . . 6.900 2.821 2.390 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 23 LEU MD1 1 42 ILE HG13 . . 6.800 3.554 2.458 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 23 LEU MD1 1 42 ILE MG . . 7.600 3.409 2.708 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 23 LEU MD1 1 51 LEU MD1 . . 6.100 3.796 3.328 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 23 LEU MD1 1 51 LEU MD2 . . 8.000 4.561 3.548 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 23 LEU MD1 1 55 LEU HA . . 6.200 4.415 4.192 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 23 LEU MD1 1 55 LEU HB3 . . 5.900 4.895 4.698 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 23 LEU MD1 1 55 LEU MD1 . . 6.600 2.709 2.323 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 23 LEU MD1 1 55 LEU QD . . 6.110 2.123 1.943 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 23 LEU MD1 1 55 LEU MD2 . . 6.600 2.266 2.060 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 23 LEU MD1 1 55 LEU HG . . 4.500 2.525 2.256 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 23 LEU MD2 1 24 ASN H . . 7.600 4.669 4.499 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 23 LEU MD2 1 26 LEU HB2 . . 4.900 3.343 2.706 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 23 LEU MD2 1 26 LEU HB3 . . 6.200 3.012 2.673 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 23 LEU MD2 1 26 LEU HG . . 3.700 3.095 2.956 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 23 LEU MD2 1 29 VAL HB . . 7.600 2.883 2.398 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 23 LEU MD2 1 29 VAL MG1 . . 6.200 2.262 2.069 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 23 LEU MD2 1 29 VAL MG2 . . 5.500 2.272 2.013 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 23 LEU MD2 1 31 TYR QD . . 9.600 3.492 2.971 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 23 LEU MD2 1 31 TYR QE . . 9.600 4.131 3.534 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 23 LEU MD2 1 42 ILE MD . . 6.500 2.225 1.982 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 23 LEU MD2 1 42 ILE MG . . 7.200 2.912 2.409 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 23 LEU MD2 1 51 LEU HA . . 7.000 3.439 3.158 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 23 LEU MD2 1 51 LEU MD1 . . 4.400 2.720 1.965 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 23 LEU MD2 1 51 LEU MD2 . . 5.300 2.747 1.988 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 23 LEU MD2 1 54 THR HA . . 7.600 5.669 5.332 6.025 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 23 LEU MD2 1 54 THR HB . . 6.900 3.521 3.208 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 23 LEU MD2 1 54 THR MG . . 4.400 2.761 2.176 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 23 LEU MD2 1 55 LEU H . . 7.600 4.407 4.073 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 23 LEU MD2 1 55 LEU HB3 . . 6.900 5.139 4.681 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 23 LEU MD2 1 55 LEU QD . . 7.570 3.106 2.830 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 23 LEU MD2 1 55 LEU HG . . 6.100 2.594 2.275 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 23 LEU HG 1 24 ASN H . . 6.000 4.910 4.846 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 23 LEU HG 1 29 VAL MG2 . . 6.400 4.394 4.076 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 23 LEU HG 1 55 LEU QD . . 7.770 2.518 2.188 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 24 ASN H 1 24 ASN HB2 . . 3.600 2.610 2.431 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 24 ASN H 1 24 ASN HB3 . . 3.500 2.496 2.354 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 24 ASN H 1 25 LYS H . . 3.600 2.740 2.531 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 24 ASN H 1 26 LEU H . . 5.500 4.149 3.855 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 24 ASN HA 1 24 ASN HD21 . . 4.800 2.085 1.994 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 24 ASN HA 1 26 LEU H . . 5.800 4.119 3.856 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 24 ASN HA 1 27 GLY H . . 5.100 3.036 2.663 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 24 ASN HA 1 29 VAL MG2 . . 6.300 3.148 2.876 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 24 ASN HA 1 31 TYR QE . . 8.600 3.804 2.671 6.198 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 24 ASN HB2 1 25 LYS H . . 4.100 3.998 3.844 4.116 0.016 14 0 "[ . 1 . 2 . 3]" 1
572 1 24 ASN HB2 1 29 VAL MG2 . . 7.600 4.696 4.354 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 24 ASN HB3 1 25 LYS H . . 4.100 2.697 2.539 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 24 ASN HB3 1 25 LYS HA . . 4.700 4.452 4.106 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 24 ASN HB3 1 25 LYS HB2 . . 6.600 4.455 4.007 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 24 ASN HD21 1 29 VAL MG1 . . 7.600 6.372 6.330 6.398 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 24 ASN HD22 1 25 LYS H . . 5.300 5.344 5.312 5.377 0.077 23 0 "[ . 1 . 2 . 3]" 1
578 1 25 LYS H 1 25 LYS HB2 . . 3.100 2.123 2.017 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 25 LYS H 1 25 LYS HB3 . . 3.300 3.203 2.897 3.360 0.060 22 0 "[ . 1 . 2 . 3]" 1
580 1 25 LYS H 1 25 LYS QD . . 6.100 3.964 2.360 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 25 LYS H 1 25 LYS QG . . 4.900 3.627 2.850 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 25 LYS H 1 26 LEU H . . 3.300 2.842 2.498 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 25 LYS H 1 27 GLY H . . 5.800 4.267 3.998 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 25 LYS HB2 1 26 LEU H . . 3.600 3.531 3.222 3.644 0.044 26 0 "[ . 1 . 2 . 3]" 1
585 1 25 LYS HB3 1 26 LEU H . . 3.300 3.113 2.537 3.345 0.045 7 0 "[ . 1 . 2 . 3]" 1
586 1 26 LEU H 1 26 LEU HB2 . . 3.100 2.522 2.274 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 26 LEU H 1 26 LEU HB3 . . 3.200 2.515 2.171 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 26 LEU H 1 26 LEU MD1 . . 5.100 4.124 3.820 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 26 LEU H 1 26 LEU MD2 . . 5.200 4.203 3.927 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 26 LEU H 1 26 LEU HG . . 4.600 4.509 4.403 4.615 0.015 3 0 "[ . 1 . 2 . 3]" 1
591 1 26 LEU H 1 27 GLY H . . 3.500 2.654 2.391 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 26 LEU H 1 29 VAL MG2 . . 6.100 4.097 3.748 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 26 LEU HA 1 26 LEU MD1 . . 4.100 2.921 2.389 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 26 LEU HA 1 26 LEU MD2 . . 3.400 2.447 2.269 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 26 LEU HA 1 54 THR MG . . 6.000 3.661 2.841 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 26 LEU HB2 1 27 GLY H . . 4.100 3.759 3.446 4.104 0.004 20 0 "[ . 1 . 2 . 3]" 1
597 1 26 LEU HB2 1 29 VAL MG2 . . 5.700 4.150 3.305 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 26 LEU HB2 1 54 THR MG . . 4.600 2.152 2.039 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 26 LEU HB3 1 27 GLY H . . 3.500 2.486 2.181 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 26 LEU HB3 1 27 GLY HA2 . . 5.300 4.772 4.420 5.209 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 26 LEU MD1 1 27 GLY H . . 6.900 3.017 2.428 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 26 LEU MD1 1 29 VAL MG1 . . 5.500 1.932 1.746 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 26 LEU MD1 1 29 VAL MG2 . . 4.700 2.744 2.189 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 26 LEU MD1 1 46 HIS QB . . 8.300 3.426 2.556 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 26 LEU MD1 1 46 HIS HD2 . . 5.600 3.151 2.453 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 26 LEU MD1 1 51 LEU HA . . 6.200 4.800 4.231 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 26 LEU MD1 1 51 LEU MD2 . . 5.500 2.971 2.484 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 26 LEU MD1 1 54 THR MG . . 6.400 4.198 3.437 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 26 LEU MD2 1 27 GLY H . . 6.300 4.612 4.159 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 26 LEU MD2 1 29 VAL MG1 . . 5.000 3.505 3.475 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 26 LEU MD2 1 46 HIS HD2 . . 7.500 4.759 3.657 5.656 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 26 LEU MD2 1 46 HIS HE1 . . 7.100 3.610 2.694 5.701 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 26 LEU MD2 1 51 LEU HA . . 6.200 3.449 2.408 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 26 LEU HG 1 27 GLY H . . 5.900 4.443 4.163 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 26 LEU HG 1 46 HIS HD2 . . 5.600 5.141 3.976 5.604 0.004 13 0 "[ . 1 . 2 . 3]" 1
616 1 26 LEU HG 1 46 HIS HE1 . . 5.200 5.165 4.146 5.286 0.086 4 0 "[ . 1 . 2 . 3]" 1
617 1 26 LEU HG 1 50 THR HB . . 5.700 5.146 4.105 5.704 0.004 17 0 "[ . 1 . 2 . 3]" 1
618 1 27 GLY H 1 28 GLY H . . 6.600 3.741 3.489 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 27 GLY H 1 29 VAL MG2 . . 6.500 2.626 2.389 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 27 GLY HA2 1 29 VAL MG2 . . 6.400 3.666 3.025 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 27 GLY HA3 1 29 VAL H . . 4.400 4.420 4.153 4.478 0.078 11 0 "[ . 1 . 2 . 3]" 1
622 1 27 GLY HA3 1 29 VAL MG2 . . 7.300 4.276 3.926 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 28 GLY H 1 29 VAL H . . 4.300 3.361 2.394 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 28 GLY QA 1 29 VAL MG2 . . 8.200 3.985 3.708 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 29 VAL H 1 29 VAL HB . . 4.100 3.727 3.518 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 29 VAL H 1 29 VAL MG1 . . 4.300 2.899 1.999 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 29 VAL H 1 29 VAL MG2 . . 3.700 2.151 1.801 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 29 VAL H 1 30 LYS H . . 5.700 4.528 4.320 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 29 VAL HA 1 30 LYS H . . 2.900 2.303 2.179 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 29 VAL HA 1 44 SER HB2 . . 5.100 2.537 2.126 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 29 VAL HA 1 44 SER HB3 . . 5.000 3.427 2.225 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 29 VAL HA 1 46 HIS HD2 . . 6.600 4.166 2.497 6.090 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 29 VAL HB 1 30 LYS H . . 3.500 2.883 2.593 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 29 VAL HB 1 31 TYR HA . . 6.600 5.306 4.218 5.941 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 29 VAL HB 1 31 TYR QD . . 7.200 2.528 2.304 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 29 VAL HB 1 31 TYR QE . . 8.600 3.939 2.916 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 29 VAL HB 1 42 ILE MD . . 6.300 4.523 3.830 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 29 VAL HB 1 44 SER HB2 . . 5.900 4.002 3.195 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 29 VAL HB 1 44 SER HB3 . . 5.800 4.819 3.883 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 29 VAL MG1 1 30 LYS H . . 5.700 3.762 3.332 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 29 VAL MG1 1 30 LYS QE . . 8.600 6.084 5.456 6.413 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 29 VAL MG1 1 31 TYR QD . . 9.300 4.017 3.768 5.337 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 29 VAL MG1 1 31 TYR QE . . 9.600 4.684 4.172 6.336 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 29 VAL MG1 1 44 SER HB3 . . 5.700 3.280 2.737 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 29 VAL MG1 1 46 HIS H . . 7.600 5.071 4.070 6.329 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 29 VAL MG1 1 46 HIS HD2 . . 4.700 3.222 2.025 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 29 VAL MG1 1 46 HIS HE1 . . 7.600 4.716 2.685 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 29 VAL MG1 1 51 LEU MD2 . . 6.500 2.166 1.873 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 29 VAL MG2 1 30 LYS H . . 7.000 3.953 3.645 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 29 VAL MG2 1 31 TYR H . . 7.600 4.736 3.417 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 29 VAL MG2 1 31 TYR QD . . 7.700 2.654 2.031 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 29 VAL MG2 1 31 TYR QE . . 8.200 2.269 2.037 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 29 VAL MG2 1 44 SER HB3 . . 7.600 5.578 4.925 6.158 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 29 VAL MG2 1 46 HIS HD2 . . 6.700 5.285 4.283 5.624 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 30 LYS H 1 30 LYS HB2 . . 3.800 3.013 2.584 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 30 LYS H 1 30 LYS HB3 . . 3.800 3.361 2.513 3.812 0.012 1 0 "[ . 1 . 2 . 3]" 1
657 1 30 LYS H 1 30 LYS HG2 . . 5.100 4.330 3.453 5.100 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 30 LYS H 1 30 LYS QG . . 4.920 3.947 3.346 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 30 LYS H 1 30 LYS HG3 . . 5.100 4.752 4.312 5.112 0.012 19 0 "[ . 1 . 2 . 3]" 1
660 1 30 LYS H 1 31 TYR H . . 5.100 4.166 3.664 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 30 LYS H 1 31 TYR QD . . 8.600 3.648 3.131 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 30 LYS H 1 42 ILE HA . . 4.600 4.596 4.326 4.649 0.049 24 0 "[ . 1 . 2 . 3]" 1
663 1 30 LYS H 1 42 ILE MG . . 7.100 3.208 2.774 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 30 LYS H 1 43 GLU H . . 4.600 3.381 2.879 4.630 0.030 18 0 "[ . 1 . 2 . 3]" 1
665 1 30 LYS H 1 44 SER HB2 . . 6.000 3.115 2.270 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 30 LYS H 1 44 SER HB3 . . 6.500 4.299 2.435 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 30 LYS HA 1 31 TYR H . . 3.100 2.247 2.064 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 30 LYS HA 1 31 TYR QD . . 8.000 2.878 2.424 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 30 LYS HA 1 31 TYR QE . . 8.600 3.806 3.149 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 30 LYS QB 1 31 TYR H . . 4.630 3.203 2.494 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 30 LYS QB 1 43 GLU QB . . 5.560 3.621 2.118 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 30 LYS HB2 1 31 TYR H . . 5.000 4.195 3.906 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 30 LYS HB2 1 43 GLU H . . 6.600 4.892 4.088 5.837 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 30 LYS HB2 1 43 GLU HB2 . . 6.550 5.685 3.475 6.566 0.016 26 0 "[ . 1 . 2 . 3]" 1
675 1 30 LYS HB2 1 43 GLU HB3 . . 6.550 4.974 3.591 6.565 0.015 3 0 "[ . 1 . 2 . 3]" 1
676 1 30 LYS HB3 1 31 TYR H . . 5.000 3.404 2.523 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 30 LYS HB3 1 43 GLU H . . 6.600 4.392 3.375 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 30 LYS HB3 1 43 GLU HB2 . . 6.550 5.090 3.055 6.570 0.020 13 0 "[ . 1 . 2 . 3]" 1
679 1 30 LYS HB3 1 43 GLU HB3 . . 6.550 4.562 2.143 6.523 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 30 LYS QD 1 31 TYR H . . 7.600 2.670 1.947 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 30 LYS QD 1 33 ILE MD . . 7.300 5.438 5.258 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 30 LYS QE 1 33 ILE MD . . 7.700 5.168 4.092 5.745 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 30 LYS QG 1 31 TYR H . . 6.100 3.924 2.887 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 30 LYS HG2 1 31 TYR H . . 6.600 4.526 3.745 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 30 LYS HG3 1 31 TYR H . . 6.600 4.448 2.937 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 31 TYR H 1 32 ASP H . . 4.800 4.250 4.107 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 31 TYR H 1 42 ILE HA . . 5.800 4.651 4.243 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 31 TYR HA 1 32 ASP H . . 3.000 2.217 2.131 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 31 TYR HA 1 40 VAL MG1 . . 7.000 4.057 3.169 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 31 TYR HA 1 42 ILE HA . . 3.600 2.189 2.032 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 31 TYR HA 1 42 ILE HG12 . . 5.900 3.928 2.637 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 31 TYR HA 1 42 ILE HG13 . . 5.200 4.458 2.741 5.211 0.011 19 0 "[ . 1 . 2 . 3]" 1
693 1 31 TYR HA 1 42 ILE MG . . 7.600 3.473 2.435 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 31 TYR HA 1 43 GLU H . . 4.400 3.127 2.670 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 31 TYR QB 1 33 ILE HG12 . . 6.500 4.431 3.906 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 31 TYR QB 1 33 ILE MG . . 8.600 5.700 5.267 6.343 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 31 TYR QB 1 40 VAL MG1 . . 8.300 2.299 2.022 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 31 TYR QB 1 42 ILE HA . . 6.200 2.471 2.048 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 31 TYR QB 1 42 ILE MD . . 8.600 3.345 2.717 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 31 TYR QB 1 42 ILE HG12 . . 6.200 2.305 2.040 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 31 TYR QB 1 42 ILE HG13 . . 5.600 3.154 2.017 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 31 TYR QB 1 42 ILE MG . . 7.900 2.430 2.067 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 31 TYR QB 1 43 GLU H . . 7.400 3.828 3.379 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 31 TYR QD 1 32 ASP H . . 8.200 4.436 3.552 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 31 TYR QD 1 32 ASP HA . . 8.600 4.658 3.704 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 31 TYR QD 1 33 ILE H . . 8.600 5.302 4.721 5.789 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 31 TYR QD 1 33 ILE HB . . 8.600 4.828 4.290 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 31 TYR QD 1 33 ILE MD . . 8.800 2.543 2.079 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 31 TYR QD 1 33 ILE HG12 . . 7.300 2.904 2.261 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 31 TYR QD 1 33 ILE HG13 . . 6.700 2.505 2.313 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 31 TYR QD 1 33 ILE MG . . 9.600 4.567 4.136 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 31 TYR QD 1 40 VAL MG1 . . 9.600 2.656 2.147 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 31 TYR QD 1 42 ILE HA . . 8.600 4.393 3.944 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 31 TYR QD 1 42 ILE MG . . 9.600 3.344 2.437 5.524 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 31 TYR QE 1 33 ILE MD . . 8.200 2.260 2.122 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 31 TYR QE 1 33 ILE HG13 . . 8.000 3.922 3.024 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 32 ASP H 1 32 ASP HB2 . . 3.700 2.913 2.549 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 32 ASP H 1 32 ASP HB3 . . 3.600 2.690 2.321 3.650 0.050 6 0 "[ . 1 . 2 . 3]" 1
719 1 32 ASP H 1 33 ILE H . . 5.000 4.481 4.274 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 32 ASP H 1 40 VAL MG1 . . 6.500 3.921 3.298 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 32 ASP H 1 40 VAL MG2 . . 7.100 5.874 5.453 5.960 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 32 ASP H 1 41 CYS HB2 . . 6.400 3.050 2.657 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 32 ASP H 1 41 CYS HB3 . . 6.100 4.135 3.580 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 32 ASP H 1 42 ILE MG . . 7.500 5.110 4.287 5.936 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 32 ASP HA 1 33 ILE H . . 3.000 2.338 2.128 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 32 ASP HA 1 33 ILE HB . . 5.200 3.910 3.405 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 32 ASP HA 1 33 ILE MD . . 7.200 3.841 2.324 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 32 ASP HA 1 33 ILE HG13 . . 6.000 3.368 2.510 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 32 ASP HB2 1 33 ILE H . . 4.800 3.989 3.860 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 32 ASP HB2 1 41 CYS HB2 . . 5.000 3.729 2.079 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 32 ASP HB2 1 41 CYS HB3 . . 5.100 4.992 3.349 5.124 0.024 30 0 "[ . 1 . 2 . 3]" 1
732 1 32 ASP HB3 1 33 ILE H . . 4.300 3.652 2.977 4.307 0.007 28 0 "[ . 1 . 2 . 3]" 1
733 1 32 ASP HB3 1 41 CYS H . . 6.000 3.463 2.883 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 32 ASP HB3 1 41 CYS HB2 . . 5.300 2.468 2.152 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 32 ASP HB3 1 41 CYS HB3 . . 5.300 3.997 3.339 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 33 ILE H 1 33 ILE HB . . 3.600 2.450 2.143 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 33 ILE H 1 33 ILE MD . . 5.400 3.726 2.907 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 33 ILE H 1 33 ILE HG12 . . 4.700 4.347 4.020 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 33 ILE H 1 33 ILE HG13 . . 4.100 3.195 2.740 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 33 ILE H 1 33 ILE MG . . 4.400 3.716 3.634 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 33 ILE HA 1 33 ILE HG12 . . 3.800 2.707 2.488 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 33 ILE HA 1 34 ASP H . . 3.000 2.216 2.140 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 33 ILE HA 1 40 VAL HA . . 3.700 2.663 2.365 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 33 ILE HA 1 41 CYS H . . 5.700 3.885 3.596 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 33 ILE HB 1 34 ASP H . . 4.500 4.490 4.365 4.535 0.035 21 0 "[ . 1 . 2 . 3]" 1
746 1 33 ILE MD 1 34 ASP H . . 7.600 5.498 5.283 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 33 ILE HG12 1 34 ASP H . . 5.500 4.714 4.435 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 33 ILE HG12 1 39 LYS H . . 6.600 6.647 6.528 6.689 0.089 21 0 "[ . 1 . 2 . 3]" 1
749 1 33 ILE HG13 1 34 ASP H . . 5.100 4.862 4.577 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 33 ILE MG 1 34 ASP H . . 5.800 3.307 2.893 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 33 ILE MG 1 35 LEU H . . 6.900 3.602 2.820 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 33 ILE MG 1 38 LYS HA . . 7.200 5.607 5.045 6.004 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 33 ILE MG 1 40 VAL HA . . 6.600 4.437 4.097 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 34 ASP H 1 34 ASP HB2 . . 3.500 2.912 2.098 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 34 ASP H 1 34 ASP HB3 . . 3.700 2.750 2.537 3.718 0.018 9 0 "[ . 1 . 2 . 3]" 1
756 1 34 ASP H 1 35 LEU H . . 4.800 4.195 3.836 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 34 ASP H 1 39 LYS H . . 4.600 3.092 2.688 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 34 ASP H 1 39 LYS HB2 . . 6.600 3.952 3.439 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 34 ASP H 1 39 LYS HB3 . . 6.600 4.141 3.308 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 34 ASP H 1 40 VAL HA . . 4.700 3.446 3.035 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 34 ASP H 1 40 VAL HB . . 6.200 6.085 5.726 6.241 0.041 28 0 "[ . 1 . 2 . 3]" 1
762 1 34 ASP H 1 40 VAL MG1 . . 6.900 4.941 4.590 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 34 ASP HA 1 35 LEU H . . 2.900 2.152 2.100 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 34 ASP HA 1 36 PRO HD2 . . 4.800 3.308 3.018 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 34 ASP HA 1 36 PRO HD3 . . 5.600 4.949 4.685 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 34 ASP HA 1 39 LYS H . . 5.900 4.642 4.307 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 34 ASP HA 1 39 LYS QD . . 7.400 6.374 5.597 6.616 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 34 ASP HB2 1 35 LEU H . . 5.100 4.423 4.270 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 34 ASP HB2 1 37 ASN QB . . 6.980 3.679 2.420 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 34 ASP HB2 1 39 LYS H . . 4.800 4.260 2.304 4.801 0.001 25 0 "[ . 1 . 2 . 3]" 1
771 1 34 ASP HB2 1 39 LYS HB2 . . 5.400 3.725 2.058 5.406 0.006 18 0 "[ . 1 . 2 . 3]" 1
772 1 34 ASP HB2 1 39 LYS HB3 . . 5.400 4.297 2.253 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 34 ASP HB3 1 35 LEU H . . 4.300 4.269 3.808 4.363 0.063 18 0 "[ . 1 . 2 . 3]" 1
774 1 34 ASP HB3 1 39 LYS H . . 5.500 2.916 2.548 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 34 ASP HB3 1 39 LYS HB2 . . 5.700 2.594 2.133 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 34 ASP HB3 1 39 LYS HB3 . . 5.900 3.542 2.249 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 34 ASP HB3 1 39 LYS HG2 . . 6.600 5.157 2.317 6.413 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 34 ASP HB3 1 39 LYS QG . . 5.790 4.231 1.958 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 34 ASP HB3 1 39 LYS HG3 . . 6.600 4.544 2.112 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 35 LEU H 1 35 LEU HB2 . . 3.200 2.189 2.031 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 35 LEU H 1 35 LEU HB3 . . 3.600 3.425 2.912 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 35 LEU H 1 35 LEU MD1 . . 5.100 3.646 2.308 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 35 LEU H 1 35 LEU QD . . 4.750 3.171 2.299 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 35 LEU H 1 35 LEU MD2 . . 5.100 3.911 2.486 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 35 LEU H 1 35 LEU HG . . 4.100 3.469 3.046 4.136 0.036 11 0 "[ . 1 . 2 . 3]" 1
786 1 35 LEU H 1 36 PRO HD2 . . 4.500 2.146 2.040 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 35 LEU H 1 36 PRO HD3 . . 4.400 3.310 2.961 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 35 LEU H 1 36 PRO QG . . 7.480 4.017 3.832 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 35 LEU H 1 37 ASN H . . 6.000 4.044 3.761 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 35 LEU HA 1 37 ASN H . . 4.400 4.384 4.234 4.430 0.030 3 0 "[ . 1 . 2 . 3]" 1
791 1 35 LEU HA 1 38 LYS H . . 4.100 3.336 3.081 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 35 LEU HA 1 38 LYS HA . . 4.400 3.324 2.781 4.423 0.023 8 0 "[ . 1 . 2 . 3]" 1
793 1 35 LEU HA 1 39 LYS H . . 6.000 4.053 3.790 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 35 LEU HB2 1 36 PRO HD3 . . 4.200 2.505 2.122 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 35 LEU HB3 1 36 PRO HA . . 4.500 3.973 3.797 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 35 LEU HB3 1 36 PRO HD2 . . 5.000 3.493 2.985 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 35 LEU HB3 1 36 PRO HD3 . . 4.400 2.689 2.321 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 35 LEU HB3 1 37 ASN H . . 5.100 5.151 5.112 5.186 0.086 2 0 "[ . 1 . 2 . 3]" 1
799 1 35 LEU QD 1 36 PRO HA . . 9.170 4.729 3.746 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 35 LEU QD 1 36 PRO HD2 . . 8.970 4.075 3.577 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 35 LEU QD 1 36 PRO HD3 . . 8.170 3.792 3.502 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 35 LEU QD 1 37 ASN H . . 9.170 5.329 5.075 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 35 LEU QD 1 39 LYS H . . 9.170 5.142 4.403 5.558 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 36 PRO QB 1 37 ASN H . . 4.110 3.111 2.268 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 36 PRO QB 1 37 ASN QD . . 5.420 3.740 3.213 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 36 PRO HB2 1 37 ASN H . . 4.300 3.220 2.289 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 36 PRO HB2 1 37 ASN HD21 . . 6.250 4.403 3.698 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 36 PRO HB2 1 37 ASN HD22 . . 6.250 4.443 3.678 5.641 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 36 PRO HB3 1 37 ASN H . . 4.300 4.177 3.681 4.314 0.014 19 0 "[ . 1 . 2 . 3]" 1
810 1 36 PRO HB3 1 37 ASN HD21 . . 6.250 5.724 4.578 6.263 0.013 21 0 "[ . 1 . 2 . 3]" 1
811 1 36 PRO HB3 1 37 ASN HD22 . . 6.250 5.909 5.240 6.285 0.035 16 0 "[ . 1 . 2 . 3]" 1
812 1 36 PRO HD2 1 37 ASN H . . 5.000 3.151 3.044 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 36 PRO HD3 1 37 ASN H . . 5.000 4.161 4.050 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 36 PRO HG2 1 37 ASN H . . 5.800 2.871 2.248 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 36 PRO HG3 1 37 ASN H . . 5.800 4.242 3.864 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 37 ASN H 1 37 ASN HB2 . . 3.800 2.573 2.304 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 37 ASN H 1 37 ASN QB . . 3.550 2.520 2.242 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 37 ASN H 1 37 ASN HB3 . . 3.800 3.620 3.000 3.806 0.006 9 0 "[ . 1 . 2 . 3]" 1
819 1 37 ASN H 1 37 ASN HD21 . . 5.300 3.344 2.251 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 37 ASN H 1 37 ASN QD . . 4.840 3.229 2.233 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 37 ASN H 1 37 ASN HD22 . . 5.300 4.380 3.715 5.354 0.054 2 0 "[ . 1 . 2 . 3]" 1
822 1 37 ASN H 1 38 LYS H . . 3.300 2.452 2.274 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 37 ASN H 1 39 LYS H . . 5.500 4.563 4.349 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 37 ASN QB 1 39 LYS H . . 5.230 4.123 3.638 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 37 ASN QB 1 39 LYS HB2 . . 5.490 3.173 2.440 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 37 ASN QB 1 39 LYS HB3 . . 5.240 4.359 2.982 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 37 ASN QB 1 39 LYS QD . . 6.880 2.936 2.132 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 37 ASN QB 1 39 LYS QG . . 5.650 3.564 2.336 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 37 ASN HB2 1 38 LYS H . . 5.400 3.745 3.151 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 37 ASN HB2 1 39 LYS H . . 5.400 4.519 3.866 5.408 0.008 27 0 "[ . 1 . 2 . 3]" 1
831 1 37 ASN HB2 1 39 LYS HB2 . . 5.800 3.627 3.033 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 37 ASN HB2 1 39 LYS HB3 . . 5.700 4.926 3.113 5.737 0.037 27 0 "[ . 1 . 2 . 3]" 1
833 1 37 ASN HB2 1 39 LYS HG2 . . 6.600 5.668 2.736 6.617 0.017 27 0 "[ . 1 . 2 . 3]" 1
834 1 37 ASN HB2 1 39 LYS HG3 . . 6.600 4.557 2.774 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 37 ASN HB3 1 38 LYS H . . 5.400 4.218 3.109 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 37 ASN HB3 1 39 LYS H . . 5.400 5.055 3.819 5.414 0.014 17 0 "[ . 1 . 2 . 3]" 1
837 1 37 ASN HB3 1 39 LYS HB2 . . 5.800 3.815 2.458 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 37 ASN HB3 1 39 LYS HB3 . . 5.700 5.073 3.814 5.721 0.021 9 0 "[ . 1 . 2 . 3]" 1
839 1 37 ASN HB3 1 39 LYS HG2 . . 6.600 5.260 3.347 6.459 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 37 ASN HB3 1 39 LYS HG3 . . 6.600 4.051 2.411 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 38 LYS H 1 38 LYS QB . . 3.720 3.212 2.653 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 38 LYS H 1 38 LYS QE . . 7.300 4.250 2.365 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 38 LYS H 1 39 LYS H . . 3.800 3.140 2.728 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 38 LYS HA 1 39 LYS H . . 3.400 2.519 2.257 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 38 LYS QB 1 39 LYS H . . 4.620 3.991 3.840 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 38 LYS QB 1 39 LYS HA . . 5.480 4.498 4.269 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 38 LYS HB2 1 39 LYS H . . 4.900 4.570 4.250 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 38 LYS HB3 1 39 LYS H . . 4.900 4.414 4.162 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 39 LYS H 1 39 LYS HB2 . . 3.700 2.796 2.614 3.842 0.142 28 0 "[ . 1 . 2 . 3]" 1
850 1 39 LYS H 1 39 LYS HB3 . . 3.700 3.590 2.758 3.798 0.098 21 0 "[ . 1 . 2 . 3]" 1
851 1 39 LYS H 1 39 LYS QD . . 6.100 4.567 4.122 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 39 LYS H 1 39 LYS HG2 . . 5.400 4.526 3.329 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 39 LYS H 1 39 LYS QG . . 5.080 3.636 2.400 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 39 LYS H 1 39 LYS HG3 . . 5.400 3.867 2.461 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 39 LYS H 1 40 VAL H . . 5.000 4.361 4.288 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 39 LYS HA 1 40 VAL H . . 2.900 2.237 2.121 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 39 LYS HA 1 40 VAL HB . . 5.600 4.533 3.816 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 39 LYS HA 1 40 VAL MG2 . . 7.600 3.371 3.061 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 39 LYS HA 1 65 LEU MD1 . . 7.600 5.176 4.832 6.259 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 39 LYS HB2 1 40 VAL H . . 4.400 4.012 2.450 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 39 LYS HB2 1 65 LEU MD1 . . 7.600 6.125 4.329 6.356 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 39 LYS HB3 1 40 VAL H . . 4.100 2.984 2.354 4.118 0.018 24 0 "[ . 1 . 2 . 3]" 1
863 1 39 LYS QD 1 40 VAL H . . 7.200 4.499 3.060 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 39 LYS QD 1 65 LEU MD2 . . 7.400 4.692 3.956 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 39 LYS HG2 1 40 VAL H . . 5.900 3.484 2.317 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 39 LYS HG3 1 40 VAL H . . 5.900 4.405 2.645 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 40 VAL H 1 40 VAL HB . . 3.700 2.700 2.363 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 40 VAL H 1 40 VAL MG1 . . 4.600 3.853 3.703 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 40 VAL H 1 40 VAL MG2 . . 4.500 2.769 2.671 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 40 VAL HA 1 41 CYS H . . 3.000 2.245 2.188 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 40 VAL HB 1 41 CYS H . . 4.800 4.257 3.832 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 40 VAL HB 1 55 LEU QD . . 8.970 2.909 2.536 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 40 VAL MG1 1 41 CYS H . . 5.600 2.909 2.334 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 40 VAL MG1 1 41 CYS HA . . 6.100 3.981 3.404 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 40 VAL MG1 1 41 CYS HB3 . . 7.600 5.462 4.998 5.925 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 40 VAL MG1 1 55 LEU QD . . 6.870 2.497 1.939 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 40 VAL MG2 1 41 CYS H . . 5.900 4.253 4.103 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 41 CYS H 1 41 CYS HB2 . . 3.500 2.524 2.181 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 41 CYS H 1 41 CYS HB3 . . 3.700 3.698 3.517 3.758 0.058 3 0 "[ . 1 . 2 . 3]" 1
880 1 41 CYS H 1 42 ILE H . . 5.900 4.191 3.953 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 41 CYS HA 1 42 ILE H . . 3.100 2.187 2.137 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 41 CYS HA 1 42 ILE HA . . 4.300 4.354 4.283 4.390 0.090 26 0 "[ . 1 . 2 . 3]" 1
883 1 41 CYS HB2 1 42 ILE H . . 4.600 4.475 4.047 4.603 0.003 6 0 "[ . 1 . 2 . 3]" 1
884 1 41 CYS HB2 1 42 ILE HA . . 5.000 4.998 4.716 5.061 0.061 13 0 "[ . 1 . 2 . 3]" 1
885 1 41 CYS HB3 1 42 ILE H . . 4.500 3.775 2.724 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 41 CYS HB3 1 42 ILE HA . . 5.000 4.872 4.283 5.046 0.046 7 0 "[ . 1 . 2 . 3]" 1
887 1 42 ILE H 1 42 ILE HB . . 3.600 2.603 2.014 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 42 ILE H 1 42 ILE MD . . 5.500 3.542 2.287 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 42 ILE H 1 42 ILE HG12 . . 4.200 3.650 3.234 4.262 0.062 24 0 "[ . 1 . 2 . 3]" 1
890 1 42 ILE H 1 42 ILE HG13 . . 4.700 2.546 2.080 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 42 ILE HA 1 42 ILE HG13 . . 3.700 3.032 2.305 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 42 ILE HA 1 43 GLU H . . 3.100 2.209 2.084 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 42 ILE HB 1 43 GLU H . . 4.300 4.101 3.749 4.379 0.079 24 0 "[ . 1 . 2 . 3]" 1
894 1 42 ILE MD 1 43 GLU H . . 7.600 5.220 5.015 5.612 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 42 ILE MD 1 55 LEU HB3 . . 5.300 4.488 4.451 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 42 ILE MD 1 55 LEU MD1 . . 6.800 1.917 1.838 1.997 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 42 ILE MD 1 55 LEU MD2 . . 6.800 3.148 2.573 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 42 ILE HG13 1 43 GLU H . . 6.200 4.991 4.228 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 42 ILE HG13 1 51 LEU MD1 . . 4.200 3.530 3.512 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 42 ILE HG13 1 55 LEU QD . . 7.970 3.561 3.367 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 42 ILE MG 1 43 GLU H . . 5.300 2.585 2.244 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 42 ILE MG 1 43 GLU HA . . 7.600 3.652 2.672 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 42 ILE MG 1 44 SER HB2 . . 5.100 3.178 2.179 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 42 ILE MG 1 44 SER HB3 . . 4.800 3.493 2.740 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 42 ILE MG 1 51 LEU MD2 . . 5.800 2.948 2.190 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 43 GLU H 1 43 GLU HB2 . . 3.800 2.898 2.311 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 43 GLU H 1 43 GLU HB3 . . 3.800 3.170 2.594 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 43 GLU H 1 44 SER H . . 5.500 4.110 3.812 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 43 GLU HA 1 44 SER H . . 3.000 2.202 2.103 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 43 GLU QG 1 44 SER H . . 6.200 3.489 2.450 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 44 SER H 1 45 GLU H . . 4.800 4.233 3.902 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 44 SER H 1 46 HIS H . . 5.700 4.434 3.654 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 44 SER HB2 1 46 HIS H . . 4.800 4.294 2.603 4.846 0.046 10 0 "[ . 1 . 2 . 3]" 1
914 1 44 SER HB2 1 46 HIS HD2 . . 5.500 4.101 2.331 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 44 SER HB2 1 51 LEU MD1 . . 5.800 4.039 2.748 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 44 SER HB2 1 51 LEU MD2 . . 6.700 4.079 2.736 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 44 SER HB3 1 45 GLU H . . 6.600 3.523 2.822 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 44 SER HB3 1 46 HIS H . . 4.400 3.334 2.659 4.417 0.017 25 0 "[ . 1 . 2 . 3]" 1
919 1 44 SER HB3 1 46 HIS HD2 . . 5.000 3.686 2.356 5.005 0.005 18 0 "[ . 1 . 2 . 3]" 1
920 1 44 SER HB3 1 51 LEU MD1 . . 6.500 3.750 2.328 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 44 SER HB3 1 51 LEU MD2 . . 7.500 3.562 2.284 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 45 GLU H 1 46 HIS H . . 4.200 3.084 2.025 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 45 GLU HA 1 45 GLU HG2 . . 4.100 3.131 2.346 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 45 GLU HA 1 45 GLU QG . . 3.760 2.767 2.195 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 45 GLU HA 1 45 GLU HG3 . . 4.100 3.281 2.286 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 45 GLU QG 1 46 HIS H . . 6.980 4.089 2.287 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 46 HIS H 1 46 HIS HD2 . . 5.200 3.693 2.108 5.255 0.055 26 0 "[ . 1 . 2 . 3]" 1
928 1 46 HIS H 1 51 LEU MD2 . . 7.600 4.597 3.439 6.001 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 46 HIS HA 1 47 SER H . . 3.100 2.324 2.113 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 46 HIS QB 1 47 SER H . . 4.900 3.032 2.161 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 46 HIS QB 1 50 THR H . . 7.600 5.120 4.315 6.777 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 46 HIS QB 1 50 THR HB . . 5.900 3.231 2.289 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 46 HIS QB 1 50 THR MG . . 7.400 3.709 2.332 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 46 HIS QB 1 51 LEU H . . 7.600 4.329 3.534 6.070 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 46 HIS QB 1 51 LEU MD1 . . 8.100 3.954 2.878 6.021 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 46 HIS QB 1 51 LEU MD2 . . 7.400 2.570 1.912 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 46 HIS QB 1 51 LEU HG . . 6.400 3.631 2.373 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 46 HIS HD2 1 50 THR MG . . 7.600 5.548 3.517 6.342 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 46 HIS HD2 1 51 LEU MD2 . . 5.600 3.866 2.039 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 46 HIS HE1 1 50 THR MG . . 7.400 4.099 2.107 6.182 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 47 SER H 1 47 SER HB2 . . 3.600 2.688 2.266 3.606 0.006 28 0 "[ . 1 . 2 . 3]" 1
942 1 47 SER H 1 47 SER HB3 . . 3.900 2.644 2.307 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 47 SER H 1 49 ASP H . . 6.100 5.217 4.690 5.743 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 47 SER H 1 50 THR H . . 5.900 4.359 3.584 5.164 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 47 SER H 1 50 THR HB . . 4.500 3.742 2.862 4.508 0.008 12 0 "[ . 1 . 2 . 3]" 1
946 1 47 SER H 1 50 THR MG . . 7.600 4.397 3.680 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 47 SER H 1 51 LEU HG . . 6.600 5.316 3.996 6.291 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 47 SER HA 1 47 SER HB2 . . 2.600 2.511 2.382 2.647 0.047 2 0 "[ . 1 . 2 . 3]" 1
949 1 47 SER HA 1 48 MET H . . 3.400 2.212 2.033 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 47 SER HA 1 48 MET HA . . 5.700 4.347 4.230 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 47 SER HA 1 48 MET QB . . 7.000 4.363 4.126 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 47 SER HA 1 49 ASP H . . 4.100 4.011 3.533 4.166 0.066 7 0 "[ . 1 . 2 . 3]" 1
953 1 47 SER HA 1 51 LEU HG . . 5.700 5.173 4.326 5.761 0.061 10 0 "[ . 1 . 2 . 3]" 1
954 1 47 SER HB2 1 48 MET H . . 4.800 3.809 2.672 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 47 SER HB2 1 49 ASP H . . 4.900 4.013 2.503 4.907 0.007 18 0 "[ . 1 . 2 . 3]" 1
956 1 47 SER HB2 1 49 ASP QB . . 7.600 4.189 2.400 5.954 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 47 SER HB2 1 50 THR H . . 5.900 4.216 2.271 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 47 SER HB3 1 48 MET H . . 3.900 3.790 3.037 4.007 0.107 24 0 "[ . 1 . 2 . 3]" 1
959 1 47 SER HB3 1 49 ASP H . . 4.400 3.357 2.584 4.416 0.016 2 0 "[ . 1 . 2 . 3]" 1
960 1 47 SER HB3 1 49 ASP QB . . 7.400 3.396 2.364 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 47 SER HB3 1 50 THR H . . 5.400 3.014 2.238 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 48 MET H 1 48 MET HG2 . . 4.000 2.639 2.106 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 48 MET H 1 48 MET HG3 . . 5.600 3.817 3.586 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 48 MET H 1 49 ASP H . . 4.000 2.757 2.057 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 48 MET H 1 51 LEU MD1 . . 7.600 5.526 4.403 6.354 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 48 MET HA 1 48 MET HG2 . . 3.600 3.625 2.947 3.663 0.063 27 0 "[ . 1 . 2 . 3]" 1
967 1 48 MET HA 1 51 LEU H . . 4.700 3.390 2.891 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 48 MET HA 1 51 LEU HB2 . . 4.200 2.471 2.197 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 48 MET HA 1 51 LEU HB3 . . 5.600 4.071 3.636 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 48 MET HA 1 51 LEU MD1 . . 5.500 3.609 2.867 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 48 MET HA 1 52 LEU H . . 6.500 3.699 3.411 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 48 MET QB 1 52 LEU H . . 6.000 4.327 3.976 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 48 MET QB 1 55 LEU QD . . 9.770 6.125 5.515 6.473 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 48 MET HG2 1 49 ASP H . . 4.300 2.399 2.083 4.320 0.020 24 0 "[ . 1 . 2 . 3]" 1
975 1 48 MET HG2 1 64 TYR QD . . 8.600 6.032 4.388 7.705 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 48 MET HG2 1 64 TYR QE . . 8.600 4.836 3.777 6.847 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 48 MET HG3 1 49 ASP H . . 6.200 3.467 2.344 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 48 MET HG3 1 64 TYR QD . . 8.600 4.802 4.000 6.555 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 48 MET HG3 1 64 TYR QE . . 8.600 3.671 2.482 5.331 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 49 ASP H 1 50 THR H . . 3.600 2.803 2.542 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 49 ASP HA 1 52 LEU H . . 4.500 3.709 3.257 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 49 ASP HA 1 52 LEU HB2 . . 3.900 2.690 2.325 3.915 0.015 30 0 "[ . 1 . 2 . 3]" 1
983 1 49 ASP HA 1 52 LEU HB3 . . 4.000 3.811 2.917 4.025 0.025 9 0 "[ . 1 . 2 . 3]" 1
984 1 49 ASP HA 1 52 LEU MD1 . . 7.500 3.296 2.490 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 49 ASP HA 1 52 LEU QD . . 6.750 2.931 2.482 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 49 ASP HA 1 52 LEU MD2 . . 7.500 4.015 3.245 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 49 ASP HA 1 53 ALA H . . 4.400 3.987 3.812 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 49 ASP QB 1 50 THR HA . . 6.800 4.153 3.736 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 50 THR H 1 50 THR HB . . 3.100 2.750 2.471 3.138 0.038 25 0 "[ . 1 . 2 . 3]" 1
990 1 50 THR H 1 50 THR MG . . 4.500 3.596 3.299 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 50 THR H 1 52 LEU H . . 4.900 4.365 3.940 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 50 THR HA 1 52 LEU H . . 5.900 4.795 4.418 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 50 THR HB 1 51 LEU H . . 3.500 2.624 2.386 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 50 THR MG 1 51 LEU H . . 6.000 3.859 3.471 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 51 LEU H 1 51 LEU HB2 . . 3.400 2.441 2.168 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 51 LEU H 1 51 LEU MD1 . . 5.200 4.015 3.867 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 51 LEU H 1 51 LEU MD2 . . 4.700 2.726 2.089 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 51 LEU H 1 51 LEU HG . . 3.400 2.854 2.489 3.449 0.049 21 0 "[ . 1 . 2 . 3]" 1
999 1 51 LEU H 1 52 LEU H . . 3.600 2.801 2.535 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 51 LEU H 1 54 THR H . . 4.900 4.817 4.620 4.958 0.058 3 0 "[ . 1 . 2 . 3]" 1
1001 1 51 LEU HA 1 51 LEU MD1 . . 4.300 3.237 2.237 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 51 LEU HA 1 51 LEU MD2 . . 3.600 2.098 1.997 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 51 LEU HA 1 51 LEU HG . . 4.000 3.508 3.257 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 51 LEU HA 1 54 THR H . . 4.700 3.538 3.297 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 51 LEU HA 1 54 THR HB . . 3.900 2.743 2.308 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 51 LEU HA 1 54 THR MG . . 5.800 3.991 3.500 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 51 LEU HA 1 55 LEU H . . 5.200 3.889 3.789 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 51 LEU HB2 1 51 LEU MD1 . . 3.600 2.642 2.306 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 51 LEU HB2 1 52 LEU H . . 3.700 2.384 2.143 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 51 LEU HB2 1 55 LEU QD . . 9.170 4.549 3.841 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 51 LEU HB3 1 52 LEU H . . 4.700 3.234 2.907 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 51 LEU HB3 1 52 LEU HA . . 4.200 4.184 3.940 4.248 0.048 20 0 "[ . 1 . 2 . 3]" 1
1013 1 51 LEU HB3 1 55 LEU HB2 . . 4.800 3.843 3.358 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 51 LEU HB3 1 55 LEU QD . . 9.170 3.366 2.816 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 51 LEU HB3 1 55 LEU HG . . 5.100 4.048 3.622 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 51 LEU MD1 1 52 LEU H . . 6.000 4.490 4.148 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 51 LEU MD1 1 55 LEU MD1 . . 7.300 3.683 3.303 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 51 LEU MD1 1 55 LEU QD . . 6.310 3.599 3.264 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 51 LEU MD1 1 55 LEU MD2 . . 7.300 5.090 4.861 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 51 LEU MD2 1 52 LEU H . . 7.600 4.449 4.147 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 51 LEU MD2 1 54 THR HB . . 7.600 3.906 3.366 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 51 LEU MD2 1 55 LEU QD . . 10.070 4.646 3.825 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 51 LEU HG 1 52 LEU H . . 4.500 4.414 4.166 4.581 0.081 21 0 "[ . 1 . 2 . 3]" 1
1024 1 52 LEU H 1 52 LEU HB2 . . 3.500 2.219 2.030 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 52 LEU H 1 52 LEU HB3 . . 3.500 3.350 2.483 3.530 0.030 16 0 "[ . 1 . 2 . 3]" 1
1026 1 52 LEU H 1 52 LEU MD1 . . 5.100 3.086 2.183 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 52 LEU H 1 52 LEU QD . . 4.650 2.886 2.175 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 52 LEU H 1 52 LEU MD2 . . 5.100 4.068 2.788 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 52 LEU H 1 53 ALA H . . 3.500 3.038 2.847 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 52 LEU H 1 54 THR H . . 6.400 4.291 4.145 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 52 LEU HA 1 52 LEU MD1 . . 4.300 3.033 2.034 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 52 LEU HA 1 52 LEU QD . . 3.690 2.475 2.024 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 52 LEU HA 1 52 LEU MD2 . . 4.300 3.053 2.144 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 52 LEU HA 1 55 LEU H . . 5.000 3.514 3.247 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 52 LEU HA 1 55 LEU HB2 . . 4.200 3.022 2.149 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 52 LEU HA 1 55 LEU HB3 . . 5.100 3.781 3.339 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 52 LEU HA 1 55 LEU QD . . 7.470 3.766 2.679 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 52 LEU HA 1 55 LEU HG . . 6.600 5.129 4.087 5.591 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 52 LEU HA 1 56 LYS H . . 5.900 3.762 3.478 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 52 LEU HB2 1 53 ALA H . . 3.800 2.773 2.467 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 52 LEU HB3 1 53 ALA H . . 3.400 2.631 2.102 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 52 LEU HB3 1 54 THR H . . 5.100 4.991 4.735 5.133 0.033 18 0 "[ . 1 . 2 . 3]" 1
1043 1 52 LEU HB3 1 55 LEU H . . 5.200 5.266 5.243 5.298 0.098 23 0 "[ . 1 . 2 . 3]" 1
1044 1 52 LEU QD 1 53 ALA H . . 7.230 3.828 2.972 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 52 LEU QD 1 53 ALA HA . . 8.470 4.545 2.903 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 52 LEU QD 1 53 ALA MB . . 8.970 4.491 3.411 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 52 LEU QD 1 55 LEU QD . . 11.340 4.122 2.719 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 52 LEU QD 1 63 SER HA . . 7.770 4.782 3.474 5.784 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 52 LEU QD 1 64 TYR H . . 7.090 4.002 3.034 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 52 LEU QD 1 64 TYR HA . . 8.370 4.029 3.519 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 52 LEU QD 1 64 TYR QB . . 8.670 2.222 2.016 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 52 LEU QD 1 64 TYR QD . . 11.170 2.793 2.323 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 52 LEU MD1 1 53 ALA H . . 7.600 4.308 3.023 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 52 LEU MD1 1 64 TYR H . . 7.600 4.893 3.119 6.347 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 52 LEU MD2 1 53 ALA H . . 7.600 4.339 3.360 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 52 LEU MD2 1 64 TYR H . . 7.600 4.401 3.104 5.891 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 52 LEU HG 1 53 ALA H . . 6.300 4.669 3.631 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 53 ALA H 1 53 ALA MB . . 3.400 2.217 2.196 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 53 ALA H 1 54 THR H . . 3.500 2.858 2.759 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 53 ALA H 1 55 LEU H . . 5.000 4.300 4.111 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 53 ALA HA 1 56 LYS H . . 4.400 3.850 3.533 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 53 ALA HA 1 56 LYS HB2 . . 3.500 2.751 2.273 3.507 0.007 26 0 "[ . 1 . 2 . 3]" 1
1063 1 53 ALA HA 1 56 LYS HB3 . . 4.100 4.008 2.840 4.144 0.044 12 0 "[ . 1 . 2 . 3]" 1
1064 1 53 ALA HA 1 56 LYS HG2 . . 4.400 4.122 3.737 4.506 0.106 1 0 "[ . 1 . 2 . 3]" 1
1065 1 53 ALA MB 1 54 THR H . . 3.700 2.684 2.403 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 53 ALA MB 1 57 LYS QE . . 8.600 4.219 3.014 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 54 THR H 1 54 THR HB . . 3.300 2.393 2.215 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 54 THR H 1 54 THR MG . . 4.400 3.702 3.668 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 54 THR H 1 55 LEU H . . 3.600 2.614 2.261 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 54 THR H 1 55 LEU HB2 . . 5.000 4.392 4.064 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 54 THR HA 1 57 LYS H . . 5.100 3.685 3.144 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 54 THR HA 1 57 LYS HB2 . . 5.200 3.965 2.850 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 54 THR HA 1 57 LYS QD . . 6.000 3.513 2.180 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 54 THR HA 1 57 LYS QE . . 6.700 2.722 1.985 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 54 THR HA 1 57 LYS HG2 . . 5.000 3.946 2.486 5.040 0.040 18 0 "[ . 1 . 2 . 3]" 1
1076 1 54 THR HA 1 57 LYS HG3 . . 4.700 2.930 2.201 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 54 THR HB 1 55 LEU H . . 3.400 2.704 2.394 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 54 THR MG 1 55 LEU H . . 6.500 3.420 3.043 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 54 THR MG 1 55 LEU MD1 . . 8.300 5.159 4.673 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 54 THR MG 1 55 LEU QD . . 7.850 3.887 3.339 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 54 THR MG 1 55 LEU MD2 . . 8.300 4.026 3.416 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 54 THR MG 1 57 LYS H . . 6.500 4.425 4.099 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 54 THR MG 1 57 LYS QE . . 7.200 3.753 2.191 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 54 THR MG 1 57 LYS HG3 . . 7.600 4.161 3.137 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 55 LEU H 1 55 LEU HB2 . . 3.200 2.021 1.975 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 55 LEU H 1 55 LEU HB3 . . 3.800 3.245 3.117 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 55 LEU H 1 55 LEU MD1 . . 4.900 4.049 3.795 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 55 LEU H 1 55 LEU MD2 . . 4.900 4.097 4.006 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 55 LEU H 1 55 LEU HG . . 3.600 3.523 3.234 3.634 0.034 11 0 "[ . 1 . 2 . 3]" 1
1090 1 55 LEU H 1 56 LYS H . . 3.900 2.560 2.467 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 55 LEU H 1 62 VAL QG . . 9.160 4.665 4.453 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 55 LEU HA 1 55 LEU HB3 . . 2.900 2.857 2.734 2.924 0.024 21 0 "[ . 1 . 2 . 3]" 1
1093 1 55 LEU HA 1 55 LEU QD . . 4.060 2.074 2.038 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 55 LEU HA 1 55 LEU HG . . 3.700 2.867 2.587 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 55 LEU HA 1 57 LYS H . . 5.100 3.698 3.479 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 55 LEU HA 1 58 THR H . . 5.500 3.745 3.391 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 55 LEU HA 1 62 VAL QG . . 8.360 4.031 3.536 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 55 LEU HB2 1 56 LYS H . . 3.500 3.250 2.914 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 55 LEU HB3 1 55 LEU MD1 . . 3.500 2.135 2.068 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 55 LEU HB3 1 55 LEU MD2 . . 3.500 2.526 2.343 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 55 LEU HB3 1 56 LYS H . . 4.000 3.175 2.874 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 55 LEU HB3 1 59 GLY H . . 6.300 6.338 6.315 6.385 0.085 18 0 "[ . 1 . 2 . 3]" 1
1103 1 55 LEU QD 1 58 THR MG . . 9.270 2.591 1.987 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 55 LEU QD 1 62 VAL QG . . 8.140 2.167 1.876 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 55 LEU QD 1 63 SER H . . 9.170 5.323 4.825 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 55 LEU MD1 1 56 LYS H . . 7.600 4.730 4.485 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 55 LEU MD1 1 62 VAL MG1 . . 10.440 4.052 2.698 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 55 LEU MD1 1 62 VAL MG2 . . 10.440 2.425 2.012 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 55 LEU MD2 1 56 LYS H . . 7.600 4.609 4.361 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 55 LEU MD2 1 62 VAL MG1 . . 10.440 3.769 2.414 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 55 LEU MD2 1 62 VAL MG2 . . 10.440 2.865 2.256 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 55 LEU HG 1 56 LYS H . . 6.600 5.161 5.011 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 56 LYS H 1 56 LYS HB2 . . 3.400 2.140 1.995 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 56 LYS H 1 56 LYS HB3 . . 3.500 3.374 2.238 3.513 0.013 29 0 "[ . 1 . 2 . 3]" 1
1115 1 56 LYS H 1 56 LYS QD . . 5.300 2.937 2.259 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 56 LYS H 1 56 LYS HG2 . . 4.000 3.977 3.608 4.116 0.116 26 0 "[ . 1 . 2 . 3]" 1
1117 1 56 LYS H 1 56 LYS HG3 . . 4.500 3.793 2.416 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 56 LYS H 1 57 LYS H . . 3.700 2.928 2.754 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 56 LYS H 1 62 VAL QG . . 8.660 3.582 3.309 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 56 LYS HA 1 56 LYS HG2 . . 4.000 3.348 2.334 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 56 LYS HA 1 56 LYS HG3 . . 3.700 2.513 2.328 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 56 LYS HA 1 58 THR H . . 4.800 3.733 3.534 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 56 LYS HA 1 59 GLY H . . 5.200 3.324 3.043 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 56 LYS HA 1 62 VAL MG1 . . 6.200 2.567 2.044 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 56 LYS HA 1 62 VAL QG . . 5.550 2.378 2.033 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 56 LYS HA 1 62 VAL MG2 . . 6.200 3.810 2.150 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 56 LYS HB2 1 57 LYS H . . 3.900 3.325 2.911 3.969 0.069 26 0 "[ . 1 . 2 . 3]" 1
1128 1 56 LYS HB2 1 62 VAL QG . . 8.160 4.376 3.638 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 56 LYS HB3 1 57 LYS H . . 3.700 3.500 2.767 3.745 0.045 30 0 "[ . 1 . 2 . 3]" 1
1130 1 56 LYS HB3 1 62 VAL QG . . 7.060 4.445 3.873 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 56 LYS HG2 1 57 LYS H . . 5.500 5.347 3.721 5.548 0.048 16 0 "[ . 1 . 2 . 3]" 1
1132 1 56 LYS HG2 1 62 VAL QG . . 7.460 4.197 2.316 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 56 LYS HG3 1 59 GLY H . . 6.600 5.209 4.499 6.117 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 56 LYS HG3 1 62 VAL H . . 6.600 6.062 5.158 6.609 0.009 29 0 "[ . 1 . 2 . 3]" 1
1135 1 56 LYS HG3 1 62 VAL QG . . 6.860 3.365 2.283 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 57 LYS H 1 57 LYS HB2 . . 3.300 2.554 2.393 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 57 LYS H 1 57 LYS HB3 . . 3.700 3.627 3.596 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 57 LYS H 1 57 LYS QD . . 6.100 3.796 3.002 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 57 LYS H 1 57 LYS QE . . 7.100 4.159 3.482 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 57 LYS H 1 57 LYS HG2 . . 4.100 3.081 2.124 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 57 LYS H 1 57 LYS HG3 . . 3.700 2.578 2.106 3.701 0.001 20 0 "[ . 1 . 2 . 3]" 1
1142 1 57 LYS H 1 58 THR H . . 3.800 2.783 2.712 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 57 LYS H 1 58 THR MG . . 7.600 4.123 3.800 5.799 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 57 LYS H 1 59 GLY H . . 5.900 4.206 4.066 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 57 LYS HA 1 57 LYS HG2 . . 3.600 2.689 2.305 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 57 LYS HA 1 57 LYS HG3 . . 3.900 3.252 2.784 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 57 LYS HA 1 59 GLY H . . 5.100 3.708 3.502 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 57 LYS HB2 1 58 THR H . . 4.900 3.338 2.995 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 57 LYS HB3 1 58 THR H . . 4.900 4.196 3.952 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 57 LYS HB3 1 59 GLY H . . 6.600 5.408 5.288 5.552 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 57 LYS HG2 1 58 THR H . . 6.600 5.093 4.528 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 58 THR H 1 58 THR HB . . 4.000 3.588 2.897 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 58 THR H 1 58 THR HG1 . . 3.900 2.173 1.984 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 58 THR H 1 58 THR MG . . 4.100 2.157 2.004 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 58 THR H 1 59 GLY H . . 3.600 2.471 2.418 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 58 THR H 1 59 GLY HA2 . . 4.900 4.640 4.571 4.919 0.019 15 0 "[ . 1 . 2 . 3]" 1
1157 1 58 THR H 1 60 LYS H . . 5.600 4.405 4.185 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 58 THR HA 1 58 THR MG . . 3.700 2.395 2.113 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 58 THR HA 1 59 GLY H . . 3.600 3.515 3.490 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 58 THR HA 1 60 LYS QD . . 4.780 4.296 4.228 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 58 THR HB 1 59 GLY H . . 4.700 3.840 3.127 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 58 THR HB 1 60 LYS H . . 3.500 3.360 2.901 3.514 0.014 21 0 "[ . 1 . 2 . 3]" 1
1163 1 58 THR HB 1 60 LYS HG2 . . 6.600 2.917 2.061 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 58 THR HB 1 60 LYS HG3 . . 6.200 2.950 2.152 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 58 THR HG1 1 59 GLY H . . 6.100 2.801 2.242 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 58 THR HG1 1 60 LYS H . . 4.900 3.160 2.054 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 58 THR MG 1 59 GLY H . . 7.200 3.844 3.767 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 58 THR MG 1 59 GLY HA2 . . 6.600 5.542 5.501 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 58 THR MG 1 60 LYS H . . 7.400 4.282 4.002 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 59 GLY H 1 60 LYS H . . 3.600 2.764 2.550 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 60 LYS H 1 60 LYS HB2 . . 3.100 2.623 2.434 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 60 LYS H 1 60 LYS HB3 . . 3.700 3.693 3.592 3.766 0.066 4 0 "[ . 1 . 2 . 3]" 1
1173 1 60 LYS H 1 60 LYS QD . . 6.180 3.613 3.007 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 60 LYS H 1 60 LYS HG2 . . 3.900 2.842 2.178 3.907 0.007 5 0 "[ . 1 . 2 . 3]" 1
1175 1 60 LYS H 1 60 LYS HG3 . . 4.200 3.320 2.315 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 60 LYS H 1 62 VAL MG1 . . 7.600 2.823 2.280 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 60 LYS H 1 62 VAL MG2 . . 7.600 4.875 2.729 5.672 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 60 LYS HA 1 61 THR H . . 3.100 2.658 2.468 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 60 LYS HB2 1 61 THR H . . 3.800 3.056 2.491 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 60 LYS HB2 1 61 THR HA . . 4.700 4.732 4.668 4.775 0.075 28 0 "[ . 1 . 2 . 3]" 1
1181 1 60 LYS HB2 1 61 THR HB . . 6.500 5.003 4.577 5.743 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 60 LYS HB2 1 62 VAL MG1 . . 7.200 3.309 2.135 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 60 LYS HB2 1 62 VAL QG . . 6.830 3.219 2.130 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 60 LYS HB2 1 62 VAL MG2 . . 7.200 4.686 4.065 5.690 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 60 LYS HB3 1 61 THR H . . 4.700 2.241 2.014 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 60 LYS HG2 1 61 THR H . . 6.200 4.695 4.149 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 60 LYS HG3 1 61 THR H . . 5.900 4.718 4.474 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 61 THR H 1 61 THR HB . . 3.400 2.759 2.571 3.450 0.050 12 0 "[ . 1 . 2 . 3]" 1
1189 1 61 THR H 1 62 VAL H . . 5.000 3.681 3.323 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 61 THR HA 1 61 THR HB . . 2.900 2.933 2.447 2.974 0.074 7 0 "[ . 1 . 2 . 3]" 1
1191 1 61 THR HA 1 62 VAL H . . 3.400 2.553 2.141 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 61 THR HA 1 62 VAL QG . . 9.160 4.005 3.546 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 61 THR HB 1 62 VAL H . . 4.300 4.312 3.832 4.354 0.054 22 0 "[ . 1 . 2 . 3]" 1
1194 1 61 THR MG 1 62 VAL H . . 5.400 4.117 3.519 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 61 THR MG 1 62 VAL HA . . 7.600 4.840 4.313 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 62 VAL H 1 62 VAL HB . . 3.500 3.029 2.674 3.564 0.064 24 0 "[ . 1 . 2 . 3]" 1
1197 1 62 VAL H 1 63 SER H . . 5.500 4.272 3.970 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 62 VAL HA 1 63 SER H . . 2.700 2.132 2.046 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 62 VAL HB 1 63 SER H . . 4.200 4.169 3.945 4.271 0.071 26 0 "[ . 1 . 2 . 3]" 1
1200 1 62 VAL QG 1 63 SER H . . 5.080 3.025 2.264 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 62 VAL MG1 1 63 SER H . . 5.700 4.269 3.875 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 62 VAL MG2 1 63 SER H . . 5.700 3.142 2.279 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 63 SER H 1 63 SER HB2 . . 4.200 3.019 2.436 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 63 SER H 1 63 SER QB . . 3.910 2.675 2.304 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 63 SER H 1 63 SER HB3 . . 4.200 3.309 2.485 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 63 SER HA 1 64 TYR H . . 3.000 2.282 2.168 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 63 SER QB 1 65 LEU MD1 . . 6.120 3.669 2.808 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 63 SER HB2 1 64 TYR H . . 4.300 3.786 2.136 4.327 0.027 2 0 "[ . 1 . 2 . 3]" 1
1209 1 63 SER HB2 1 65 LEU MD1 . . 6.800 4.249 3.058 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 63 SER HB3 1 64 TYR H . . 4.300 3.484 2.482 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 63 SER HB3 1 65 LEU MD1 . . 6.800 4.346 2.847 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 64 TYR H 1 65 LEU H . . 5.100 4.532 4.105 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 64 TYR HA 1 65 LEU H . . 3.300 2.209 2.144 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 64 TYR HA 1 65 LEU MD1 . . 7.600 3.363 2.843 5.720 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 64 TYR QD 1 65 LEU H . . 8.200 2.914 2.395 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 64 TYR QE 1 65 LEU MD2 . . 9.600 6.603 5.642 7.129 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 64 TYR QE 1 66 GLY H . . 8.600 5.297 3.348 6.037 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 64 TYR QE 1 66 GLY HA2 . . 8.600 4.175 2.861 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 64 TYR QE 1 66 GLY QA . . 8.020 4.029 2.828 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 64 TYR QE 1 66 GLY HA3 . . 8.600 5.410 4.352 6.435 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 65 LEU H 1 65 LEU MD1 . . 5.600 2.740 2.230 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 65 LEU H 1 65 LEU MD2 . . 5.300 4.250 2.806 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 65 LEU H 1 65 LEU HG . . 4.100 3.807 3.546 4.118 0.018 17 0 "[ . 1 . 2 . 3]" 1
1224 1 65 LEU H 1 66 GLY H . . 4.500 4.365 3.611 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 65 LEU HA 1 65 LEU MD1 . . 3.800 3.144 2.538 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 65 LEU HA 1 65 LEU MD2 . . 4.000 3.254 2.159 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 65 LEU HA 1 65 LEU HG . . 3.800 2.359 2.146 3.801 0.001 17 0 "[ . 1 . 2 . 3]" 1
1228 1 65 LEU QB 1 66 GLY H . . 5.700 2.207 1.970 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 65 LEU MD2 1 66 GLY H . . 7.600 3.782 3.429 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 66 GLY H 1 67 LEU H . . 5.300 4.493 3.551 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 66 GLY QA 1 67 LEU H . . 3.180 2.212 2.125 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 66 GLY HA2 1 67 LEU H . . 3.400 2.433 2.181 3.414 0.014 27 0 "[ . 1 . 2 . 3]" 1
1233 1 66 GLY HA3 1 67 LEU H . . 3.400 2.740 2.223 3.445 0.045 10 0 "[ . 1 . 2 . 3]" 1
1234 1 67 LEU H 1 67 LEU HB2 . . 3.400 2.793 2.140 3.472 0.072 16 0 "[ . 1 . 2 . 3]" 1
1235 1 67 LEU H 1 67 LEU HB3 . . 3.500 2.478 2.194 3.510 0.010 11 0 "[ . 1 . 2 . 3]" 1
1236 1 67 LEU H 1 67 LEU MD1 . . 5.800 4.196 1.926 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 67 LEU H 1 67 LEU MD2 . . 5.800 4.177 3.623 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 67 LEU H 1 67 LEU HG . . 4.400 4.270 2.018 4.450 0.050 4 0 "[ . 1 . 2 . 3]" 1
1239 1 67 LEU HA 1 68 GLU H . . 3.500 2.290 2.198 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 67 LEU HB2 1 68 GLU H . . 4.500 4.261 4.081 4.527 0.027 6 0 "[ . 1 . 2 . 3]" 1
1241 1 67 LEU HB3 1 68 GLU H . . 4.700 4.157 3.215 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 67 LEU MD1 1 68 GLU H . . 7.600 3.187 2.052 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 67 LEU MD2 1 68 GLU H . . 7.600 3.661 2.151 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 67 LEU HG 1 68 GLU H . . 5.500 3.270 2.103 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 68 GLU H 1 68 GLU HB2 . . 4.200 3.002 2.461 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 68 GLU H 1 68 GLU HB3 . . 4.200 3.404 2.494 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
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