NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403013 |
1wia   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wia
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 1641
_Distance_constraint_stats_list.Viol_count 753
_Distance_constraint_stats_list.Viol_total 213.478
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.011 0.004 16 0 "[ . 1 . 2]"
1 8 ILE 0.032 0.011 7 0 "[ . 1 . 2]"
1 9 ASN 0.076 0.013 20 0 "[ . 1 . 2]"
1 10 VAL 0.148 0.016 19 0 "[ . 1 . 2]"
1 11 ARG 0.070 0.023 7 0 "[ . 1 . 2]"
1 12 LEU 0.055 0.008 5 0 "[ . 1 . 2]"
1 13 LYS 0.234 0.034 7 0 "[ . 1 . 2]"
1 14 PHE 0.093 0.034 7 0 "[ . 1 . 2]"
1 15 LEU 0.051 0.049 7 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.087 0.049 7 0 "[ . 1 . 2]"
1 18 THR 0.038 0.021 10 0 "[ . 1 . 2]"
1 19 GLU 0.048 0.023 7 0 "[ . 1 . 2]"
1 20 GLU 0.085 0.009 18 0 "[ . 1 . 2]"
1 21 LEU 0.049 0.012 15 0 "[ . 1 . 2]"
1 22 ALA 0.115 0.014 19 0 "[ . 1 . 2]"
1 23 VAL 0.065 0.012 7 0 "[ . 1 . 2]"
1 24 ALA 0.058 0.040 15 0 "[ . 1 . 2]"
1 25 ARG 0.073 0.029 15 0 "[ . 1 . 2]"
1 26 PRO 0.106 0.016 7 0 "[ . 1 . 2]"
1 27 GLU 0.098 0.086 18 0 "[ . 1 . 2]"
1 28 ASP 0.294 0.122 15 0 "[ . 1 . 2]"
1 29 THR 0.010 0.009 15 0 "[ . 1 . 2]"
1 30 VAL 0.238 0.030 18 0 "[ . 1 . 2]"
1 31 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 32 THR 0.093 0.012 12 0 "[ . 1 . 2]"
1 33 LEU 0.841 0.072 14 0 "[ . 1 . 2]"
1 34 LYS 0.916 0.082 17 0 "[ . 1 . 2]"
1 35 SER 0.221 0.042 14 0 "[ . 1 . 2]"
1 36 LYS 2.481 0.141 19 0 "[ . 1 . 2]"
1 37 TYR 0.794 0.077 16 0 "[ . 1 . 2]"
1 38 PHE 1.751 0.103 13 0 "[ . 1 . 2]"
1 39 PRO 1.407 0.126 5 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 1.439 0.126 5 0 "[ . 1 . 2]"
1 42 GLU 0.260 0.042 14 0 "[ . 1 . 2]"
1 43 SER 0.020 0.011 14 0 "[ . 1 . 2]"
1 44 GLN 0.289 0.045 14 0 "[ . 1 . 2]"
1 45 MET 0.533 0.045 14 0 "[ . 1 . 2]"
1 46 LYS 0.843 0.087 18 0 "[ . 1 . 2]"
1 47 LEU 1.058 0.087 18 0 "[ . 1 . 2]"
1 48 ILE 0.139 0.015 18 0 "[ . 1 . 2]"
1 49 TYR 0.315 0.020 19 0 "[ . 1 . 2]"
1 50 GLN 0.121 0.036 14 0 "[ . 1 . 2]"
1 51 GLY 0.009 0.004 3 0 "[ . 1 . 2]"
1 52 ARG 0.029 0.009 7 0 "[ . 1 . 2]"
1 53 LEU 0.025 0.007 4 0 "[ . 1 . 2]"
1 54 LEU 0.249 0.016 19 0 "[ . 1 . 2]"
1 55 GLN 0.002 0.002 6 0 "[ . 1 . 2]"
1 56 ASP 0.037 0.008 18 0 "[ . 1 . 2]"
1 57 PRO 0.062 0.010 14 0 "[ . 1 . 2]"
1 58 ALA 0.024 0.011 16 0 "[ . 1 . 2]"
1 59 ARG 0.244 0.086 14 0 "[ . 1 . 2]"
1 60 THR 0.013 0.013 14 0 "[ . 1 . 2]"
1 61 LEU 0.269 0.122 15 0 "[ . 1 . 2]"
1 62 SER 0.007 0.005 2 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.072 0.015 3 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.263 0.029 15 0 "[ . 1 . 2]"
1 67 THR 0.047 0.017 12 0 "[ . 1 . 2]"
1 68 ASN 0.036 0.032 1 0 "[ . 1 . 2]"
1 69 ASN 0.071 0.032 1 0 "[ . 1 . 2]"
1 70 CYS 0.372 0.103 13 0 "[ . 1 . 2]"
1 71 VAL 0.111 0.013 18 0 "[ . 1 . 2]"
1 72 ILE 0.185 0.016 19 0 "[ . 1 . 2]"
1 73 HIS 0.081 0.020 19 0 "[ . 1 . 2]"
1 74 CYS 0.950 0.081 16 0 "[ . 1 . 2]"
1 75 HIS 0.013 0.007 10 0 "[ . 1 . 2]"
1 76 ARG 0.020 0.012 10 0 "[ . 1 . 2]"
1 77 SER 0.042 0.019 10 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.088 0.063 17 0 "[ . 1 . 2]"
1 84 SER 0.088 0.063 17 0 "[ . 1 . 2]"
1 85 GLY 0.068 0.068 8 0 "[ . 1 . 2]"
1 86 PRO 0.068 0.068 8 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 SER H 1 5 SER QB . . 3.700 2.574 2.247 2.973 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 23 VAL QG . . 5.170 4.807 4.205 5.166 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 ILE H . . 2.960 2.521 2.290 2.691 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 ILE HA . . 4.430 4.376 4.345 4.432 0.002 17 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 8 ILE HG12 . . 4.760 3.993 3.791 4.122 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 8 ILE HG13 . . 5.500 5.362 5.083 5.502 0.002 19 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 8 ILE MG . . 4.220 3.672 3.544 3.804 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 23 VAL QG . . 5.050 4.474 4.192 4.659 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA2 1 25 ARG QD . . 4.470 3.911 3.257 4.242 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA2 1 25 ARG QG . . 3.820 3.085 2.559 3.617 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA2 1 26 PRO HD2 . . 4.260 3.892 3.411 4.168 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA2 1 26 PRO HD3 . . 4.140 3.829 3.421 4.044 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 8 ILE H . . 3.130 2.612 2.442 2.883 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 8 ILE HG13 . . 5.500 5.385 5.166 5.504 0.004 16 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 8 ILE MG . . 4.800 4.549 4.400 4.757 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 23 VAL QG . . 3.540 3.227 2.955 3.450 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 25 ARG QD . . 4.250 3.752 3.361 4.032 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE H 1 8 ILE HB . . 3.890 3.696 3.654 3.774 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE H 1 8 ILE MD . . 3.890 3.644 3.581 3.782 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE H 1 8 ILE HG12 . . 3.510 1.949 1.898 2.109 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE H 1 8 ILE HG13 . . 3.300 2.918 2.722 3.030 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE H 1 9 ASN H . . 4.720 4.518 4.434 4.566 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 25 ARG QD . . 5.190 4.859 3.944 5.129 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 25 ARG QG . . 4.220 3.352 3.154 3.580 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 26 PRO HD3 . . 4.390 3.287 2.951 3.683 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE HA 1 8 ILE HG12 . . 4.250 3.686 3.640 3.750 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HA 1 8 ILE HG13 . . 4.230 3.739 3.682 3.772 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE HA 1 8 ILE MG . . 3.120 2.201 2.119 2.284 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HA 1 9 ASN H . . 2.800 2.225 2.195 2.295 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 9 ASN HA . . 4.650 4.355 4.346 4.368 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HA 1 68 ASN QB . . 3.980 2.553 2.169 2.894 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HB 1 9 ASN H . . 3.400 2.889 2.656 3.001 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE HB 1 68 ASN H . . 4.730 3.109 2.816 3.513 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE HB 1 68 ASN HA . . 3.300 2.110 2.004 2.388 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HB 1 68 ASN QB . . 3.870 2.277 1.993 2.537 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE HB 1 69 ASN H . . 4.510 4.217 4.029 4.504 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE MD 1 8 ILE MG . . 2.860 2.069 1.988 2.207 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE MD 1 9 ASN H . . 5.010 4.786 4.606 4.890 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE MD 1 25 ARG H . . 5.450 4.727 4.421 4.904 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE MD 1 26 PRO HA . . 3.550 2.987 2.784 3.187 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE MD 1 26 PRO HB2 . . 4.910 4.228 3.987 4.342 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE MD 1 26 PRO HB3 . . 3.960 2.754 2.533 2.831 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE MD 1 26 PRO HD2 . . 4.400 4.001 3.777 4.270 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE MD 1 26 PRO HD3 . . 4.200 2.529 2.310 2.867 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE MD 1 26 PRO HG2 . . 4.920 4.582 4.326 4.798 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MD 1 26 PRO HG3 . . 4.170 3.702 3.473 3.970 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 61 LEU HB2 . . 4.170 3.649 3.414 3.994 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 66 ILE HB . . 4.410 3.804 3.612 4.112 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE MD 1 67 THR H . . 4.530 4.100 3.899 4.460 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE MD 1 67 THR HA . . 3.280 2.174 1.954 2.497 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE MD 1 67 THR HB . . 4.770 4.054 3.732 4.458 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MD 1 67 THR MG . . 4.030 3.793 3.608 3.961 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE MD 1 68 ASN H . . 4.100 3.153 2.889 3.379 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MD 1 68 ASN HA . . 3.880 3.510 3.278 3.839 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MD 1 68 ASN QB . . 4.570 3.749 3.472 4.008 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE HG12 1 8 ILE MG . . 3.470 2.327 2.245 2.385 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE HG12 1 9 ASN H . . 5.090 4.967 4.816 5.040 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE HG12 1 26 PRO HA . . 5.500 4.653 4.363 4.810 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE HG12 1 26 PRO HD3 . . 4.620 2.385 2.248 2.504 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE HG13 1 10 VAL QG . . 3.430 2.830 2.715 2.963 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE HG13 1 24 ALA H . . 4.440 3.335 3.233 3.476 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE HG13 1 26 PRO HA . . 5.500 5.425 5.243 5.511 0.011 7 0 "[ . 1 . 2]" 1
63 1 8 ILE HG13 1 26 PRO HD2 . . 5.500 5.427 5.285 5.507 0.007 15 0 "[ . 1 . 2]" 1
64 1 8 ILE HG13 1 26 PRO HD3 . . 4.390 4.053 3.904 4.132 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE MG 1 9 ASN H . . 3.900 3.760 3.628 3.876 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE MG 1 26 PRO HB3 . . 4.540 3.898 3.535 4.166 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE MG 1 26 PRO HD2 . . 4.300 4.178 4.061 4.300 0.000 15 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 26 PRO HD3 . . 3.960 2.716 2.539 2.877 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE MG 1 26 PRO HG3 . . 4.630 3.535 3.380 3.751 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE MG 1 67 THR HB . . 4.590 3.780 3.520 4.194 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MG 1 68 ASN H . . 3.880 2.467 2.204 2.795 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE MG 1 68 ASN HA . . 3.740 3.404 3.195 3.582 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE MG 1 68 ASN QB . . 3.460 2.196 1.903 2.434 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE MG 1 69 ASN H . . 5.420 5.152 5.026 5.300 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASN H 1 9 ASN HB2 . . 3.540 2.376 2.276 2.427 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASN H 1 9 ASN HB3 . . 3.830 3.607 3.531 3.647 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASN H 1 10 VAL QG . . 5.170 4.147 4.031 4.258 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASN H 1 68 ASN HA . . 3.470 2.959 2.727 3.332 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASN H 1 68 ASN QB . . 3.720 2.525 2.002 3.229 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASN H 1 69 ASN H . . 4.310 3.392 3.186 3.653 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASN HA 1 10 VAL H . . 2.670 2.203 2.158 2.228 . 0 0 "[ . 1 . 2]" 1
82 1 9 ASN HA 1 10 VAL HB . . 4.800 4.685 4.531 4.774 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASN HA 1 10 VAL MG1 . . 5.500 5.420 5.396 5.443 . 0 0 "[ . 1 . 2]" 1
84 1 9 ASN HA 1 10 VAL QG . . 4.090 3.386 3.226 3.607 . 0 0 "[ . 1 . 2]" 1
85 1 9 ASN HA 1 10 VAL MG2 . . 5.500 3.422 3.251 3.661 . 0 0 "[ . 1 . 2]" 1
86 1 9 ASN HA 1 21 LEU QD . . 4.580 4.137 3.284 4.429 . 0 0 "[ . 1 . 2]" 1
87 1 9 ASN HA 1 22 ALA MB . . 5.500 5.487 5.349 5.513 0.013 20 0 "[ . 1 . 2]" 1
88 1 9 ASN HA 1 23 VAL HA . . 3.290 2.180 1.997 2.773 . 0 0 "[ . 1 . 2]" 1
89 1 9 ASN HA 1 23 VAL MG1 . . 4.850 3.827 2.590 4.862 0.012 7 0 "[ . 1 . 2]" 1
90 1 9 ASN HA 1 23 VAL QG . . 3.920 2.758 2.385 3.398 . 0 0 "[ . 1 . 2]" 1
91 1 9 ASN HA 1 23 VAL MG2 . . 4.850 2.934 2.543 3.676 . 0 0 "[ . 1 . 2]" 1
92 1 9 ASN HB2 1 9 ASN QD . . 3.470 3.068 2.636 3.331 . 0 0 "[ . 1 . 2]" 1
93 1 9 ASN HB2 1 10 VAL H . . 4.370 4.127 4.041 4.265 . 0 0 "[ . 1 . 2]" 1
94 1 9 ASN HB2 1 21 LEU QD . . 4.430 4.137 3.590 4.393 . 0 0 "[ . 1 . 2]" 1
95 1 9 ASN HB2 1 69 ASN H . . 3.850 3.162 3.056 3.275 . 0 0 "[ . 1 . 2]" 1
96 1 9 ASN HB2 1 69 ASN HA . . 4.330 4.306 4.205 4.332 0.002 15 0 "[ . 1 . 2]" 1
97 1 9 ASN HB3 1 10 VAL H . . 3.990 3.034 2.924 3.261 . 0 0 "[ . 1 . 2]" 1
98 1 9 ASN HB3 1 11 ARG QG . . 5.340 4.377 4.246 4.544 . 0 0 "[ . 1 . 2]" 1
99 1 9 ASN HB3 1 21 LEU QD . . 3.450 2.832 2.181 3.141 . 0 0 "[ . 1 . 2]" 1
100 1 9 ASN HB3 1 21 LEU HG . . 5.500 4.822 4.337 5.271 . 0 0 "[ . 1 . 2]" 1
101 1 9 ASN HB3 1 69 ASN H . . 4.570 4.240 3.838 4.404 . 0 0 "[ . 1 . 2]" 1
102 1 9 ASN HB3 1 69 ASN HA . . 5.090 4.990 4.366 5.087 . 0 0 "[ . 1 . 2]" 1
103 1 9 ASN QD 1 21 LEU QD . . 3.710 2.400 1.883 2.876 . 0 0 "[ . 1 . 2]" 1
104 1 9 ASN QD 1 23 VAL QG . . 4.050 2.899 2.379 3.813 . 0 0 "[ . 1 . 2]" 1
105 1 9 ASN HD21 1 21 LEU MD1 . . 5.500 2.686 2.031 3.835 . 0 0 "[ . 1 . 2]" 1
106 1 9 ASN HD21 1 21 LEU MD2 . . 5.500 3.446 1.941 4.293 . 0 0 "[ . 1 . 2]" 1
107 1 9 ASN HD21 1 23 VAL MG1 . . 6.460 4.931 4.176 6.124 . 0 0 "[ . 1 . 2]" 1
108 1 9 ASN HD21 1 23 VAL MG2 . . 6.460 3.530 2.900 4.743 . 0 0 "[ . 1 . 2]" 1
109 1 9 ASN HD22 1 21 LEU MD1 . . 5.500 3.758 3.081 4.219 . 0 0 "[ . 1 . 2]" 1
110 1 9 ASN HD22 1 21 LEU MD2 . . 5.500 4.061 3.059 4.534 . 0 0 "[ . 1 . 2]" 1
111 1 9 ASN HD22 1 23 VAL MG1 . . 6.460 4.556 4.110 5.547 . 0 0 "[ . 1 . 2]" 1
112 1 9 ASN HD22 1 23 VAL MG2 . . 6.460 3.190 2.563 4.209 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL H 1 10 VAL HB . . 3.400 2.813 2.711 2.889 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL H 1 10 VAL MG1 . . 4.350 3.921 3.874 3.951 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL H 1 10 VAL QG . . 3.470 2.707 2.621 2.883 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL H 1 10 VAL MG2 . . 4.350 2.760 2.661 2.973 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL H 1 11 ARG H . . 4.610 4.363 4.339 4.415 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL H 1 11 ARG QG . . 5.340 4.667 4.583 4.737 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL H 1 21 LEU QD . . 4.050 3.615 2.545 3.950 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL H 1 21 LEU HG . . 5.500 5.479 5.353 5.512 0.012 15 0 "[ . 1 . 2]" 1
121 1 10 VAL H 1 22 ALA MB . . 4.700 4.068 3.996 4.173 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL H 1 23 VAL HA . . 4.260 2.641 2.346 3.453 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL H 1 24 ALA MB . . 5.250 4.189 3.939 4.664 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL HA 1 10 VAL MG1 . . 3.420 2.324 2.199 2.410 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL HA 1 10 VAL MG2 . . 3.420 2.451 2.330 2.527 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL HA 1 11 ARG H . . 2.750 2.183 2.162 2.197 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL HA 1 11 ARG QB . . 5.030 4.546 4.447 4.664 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL HA 1 11 ARG HG2 . . 4.960 4.389 3.953 4.779 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL HA 1 11 ARG QG . . 4.130 3.470 3.286 3.632 . 0 0 "[ . 1 . 2]" 1
130 1 10 VAL HA 1 11 ARG HG3 . . 4.960 3.647 3.379 3.867 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL HA 1 21 LEU QD . . 5.110 4.933 4.065 5.112 0.002 6 0 "[ . 1 . 2]" 1
132 1 10 VAL HA 1 69 ASN H . . 4.330 3.998 3.731 4.255 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL HA 1 69 ASN HA . . 4.910 4.659 4.285 4.916 0.006 18 0 "[ . 1 . 2]" 1
134 1 10 VAL HA 1 70 CYS H . . 4.170 2.973 2.797 3.189 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL HA 1 72 ILE MD . . 5.460 5.164 4.961 5.349 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL HA 1 72 ILE HG13 . . 5.500 4.942 4.809 5.066 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL HB 1 11 ARG H . . 4.270 3.974 3.891 4.099 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL HB 1 24 ALA MB . . 4.660 2.999 2.702 3.481 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL HB 1 33 LEU MD1 . . 4.390 4.043 3.760 4.294 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL HB 1 33 LEU MD2 . . 4.530 3.821 3.569 4.070 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL HB 1 72 ILE HG13 . . 4.730 4.683 4.542 4.746 0.016 19 0 "[ . 1 . 2]" 1
142 1 10 VAL QG 1 11 ARG H . . 3.380 2.220 2.089 2.448 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL QG 1 11 ARG HA . . 4.220 3.862 3.711 3.981 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL QG 1 23 VAL HA . . 4.380 3.704 3.453 4.039 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL QG 1 24 ALA H . . 4.240 2.600 2.323 2.976 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL QG 1 24 ALA MB . . 3.030 1.853 1.744 2.063 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL QG 1 25 ARG H . . 5.440 4.803 4.691 4.987 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL QG 1 33 LEU MD1 . . 3.680 3.467 3.274 3.647 . 0 0 "[ . 1 . 2]" 1
149 1 10 VAL QG 1 37 TYR QE . . 4.780 4.545 3.920 4.756 . 0 0 "[ . 1 . 2]" 1
150 1 10 VAL QG 1 49 TYR QD . . 5.110 4.842 4.706 5.012 . 0 0 "[ . 1 . 2]" 1
151 1 10 VAL QG 1 61 LEU MD1 . . 3.930 3.276 3.163 3.467 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL QG 1 67 THR H . . 5.270 4.914 4.642 5.132 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL QG 1 68 ASN HA . . 4.680 3.583 3.318 3.808 . 0 0 "[ . 1 . 2]" 1
154 1 10 VAL QG 1 69 ASN H . . 4.410 4.200 3.986 4.353 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL QG 1 70 CYS H . . 3.890 3.477 3.274 3.725 . 0 0 "[ . 1 . 2]" 1
156 1 10 VAL QG 1 70 CYS QB . . 4.480 2.903 2.652 3.125 . 0 0 "[ . 1 . 2]" 1
157 1 10 VAL QG 1 72 ILE HB . . 4.040 3.181 3.023 3.415 . 0 0 "[ . 1 . 2]" 1
158 1 10 VAL QG 1 72 ILE HG13 . . 3.260 2.133 2.023 2.201 . 0 0 "[ . 1 . 2]" 1
159 1 10 VAL MG1 1 11 ARG H . . 4.150 2.230 2.095 2.466 . 0 0 "[ . 1 . 2]" 1
160 1 10 VAL MG1 1 24 ALA MB . . 3.810 3.567 3.441 3.753 . 0 0 "[ . 1 . 2]" 1
161 1 10 VAL MG1 1 37 TYR QE . . 5.500 5.244 4.312 5.515 0.015 16 0 "[ . 1 . 2]" 1
162 1 10 VAL MG1 1 66 ILE HG12 . . 4.740 4.290 4.031 4.623 . 0 0 "[ . 1 . 2]" 1
163 1 10 VAL MG1 1 69 ASN H . . 5.500 5.431 5.084 5.504 0.004 19 0 "[ . 1 . 2]" 1
164 1 10 VAL MG1 1 70 CYS H . . 4.450 3.918 3.542 4.214 . 0 0 "[ . 1 . 2]" 1
165 1 10 VAL MG1 1 72 ILE HG13 . . 4.470 2.140 2.031 2.208 . 0 0 "[ . 1 . 2]" 1
166 1 10 VAL MG2 1 11 ARG H . . 4.150 4.082 3.939 4.157 0.007 12 0 "[ . 1 . 2]" 1
167 1 10 VAL MG2 1 24 ALA MB . . 3.810 1.859 1.749 2.072 . 0 0 "[ . 1 . 2]" 1
168 1 10 VAL MG2 1 37 TYR QE . . 5.500 5.008 4.501 5.349 . 0 0 "[ . 1 . 2]" 1
169 1 10 VAL MG2 1 66 ILE HG12 . . 4.740 4.654 4.236 4.744 0.004 4 0 "[ . 1 . 2]" 1
170 1 10 VAL MG2 1 69 ASN H . . 5.500 4.374 4.091 4.563 . 0 0 "[ . 1 . 2]" 1
171 1 10 VAL MG2 1 70 CYS H . . 4.450 3.906 3.624 4.192 . 0 0 "[ . 1 . 2]" 1
172 1 10 VAL MG2 1 72 ILE HG13 . . 4.470 4.121 3.742 4.344 . 0 0 "[ . 1 . 2]" 1
173 1 11 ARG H 1 11 ARG HB2 . . 3.790 2.681 2.560 2.865 . 0 0 "[ . 1 . 2]" 1
174 1 11 ARG H 1 11 ARG HB3 . . 3.790 3.687 3.668 3.710 . 0 0 "[ . 1 . 2]" 1
175 1 11 ARG H 1 11 ARG QD . . 4.880 4.249 3.819 4.500 . 0 0 "[ . 1 . 2]" 1
176 1 11 ARG H 1 11 ARG HG2 . . 4.010 3.247 2.861 3.603 . 0 0 "[ . 1 . 2]" 1
177 1 11 ARG H 1 11 ARG QG . . 3.380 2.312 2.057 2.559 . 0 0 "[ . 1 . 2]" 1
178 1 11 ARG H 1 11 ARG HG3 . . 4.010 2.370 2.081 2.664 . 0 0 "[ . 1 . 2]" 1
179 1 11 ARG H 1 12 LEU MD2 . . 5.500 5.420 5.265 5.502 0.002 5 0 "[ . 1 . 2]" 1
180 1 11 ARG H 1 69 ASN HA . . 5.500 5.094 4.743 5.318 . 0 0 "[ . 1 . 2]" 1
181 1 11 ARG H 1 71 VAL MG1 . . 5.370 5.292 5.185 5.368 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG H 1 71 VAL MG2 . . 4.520 3.903 3.717 3.970 . 0 0 "[ . 1 . 2]" 1
183 1 11 ARG H 1 72 ILE H . . 4.350 3.964 3.779 4.126 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG H 1 72 ILE MD . . 5.340 5.309 5.192 5.341 0.001 10 0 "[ . 1 . 2]" 1
185 1 11 ARG HA 1 11 ARG HD2 . . 5.090 4.396 3.968 4.991 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG HA 1 11 ARG QD . . 4.400 4.030 3.742 4.392 . 0 0 "[ . 1 . 2]" 1
187 1 11 ARG HA 1 11 ARG HD3 . . 5.090 4.727 4.364 4.935 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG HA 1 11 ARG HG2 . . 3.610 2.646 2.493 2.833 . 0 0 "[ . 1 . 2]" 1
189 1 11 ARG HA 1 11 ARG QG . . 3.140 2.558 2.438 2.715 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG HA 1 11 ARG HG3 . . 3.610 3.409 3.220 3.571 . 0 0 "[ . 1 . 2]" 1
191 1 11 ARG HA 1 12 LEU H . . 2.760 2.143 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
192 1 11 ARG HA 1 12 LEU HB2 . . 4.760 4.496 4.422 4.558 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG HA 1 12 LEU MD2 . . 5.500 5.128 4.984 5.202 . 0 0 "[ . 1 . 2]" 1
194 1 11 ARG HA 1 19 GLU HB3 . . 4.760 4.664 4.482 4.783 0.023 7 0 "[ . 1 . 2]" 1
195 1 11 ARG HA 1 21 LEU QD . . 3.750 3.586 3.045 3.757 0.007 7 0 "[ . 1 . 2]" 1
196 1 11 ARG HA 1 22 ALA H . . 4.000 3.183 3.000 3.596 . 0 0 "[ . 1 . 2]" 1
197 1 11 ARG HA 1 71 VAL MG2 . . 4.930 4.201 4.099 4.358 . 0 0 "[ . 1 . 2]" 1
198 1 11 ARG QB 1 11 ARG QD . . 3.020 2.233 2.087 2.496 . 0 0 "[ . 1 . 2]" 1
199 1 11 ARG QB 1 11 ARG HE . . 3.990 2.654 1.928 3.789 . 0 0 "[ . 1 . 2]" 1
200 1 11 ARG QB 1 19 GLU HB2 . . 5.340 4.663 4.381 4.896 . 0 0 "[ . 1 . 2]" 1
201 1 11 ARG QB 1 19 GLU HB3 . . 4.320 3.202 2.931 3.423 . 0 0 "[ . 1 . 2]" 1
202 1 11 ARG QB 1 19 GLU HG2 . . 5.340 3.640 3.179 4.062 . 0 0 "[ . 1 . 2]" 1
203 1 11 ARG QB 1 71 VAL HB . . 4.800 3.000 2.695 3.269 . 0 0 "[ . 1 . 2]" 1
204 1 11 ARG QB 1 71 VAL MG2 . . 2.960 1.941 1.851 2.090 . 0 0 "[ . 1 . 2]" 1
205 1 11 ARG QB 1 72 ILE H . . 5.340 3.804 3.691 3.995 . 0 0 "[ . 1 . 2]" 1
206 1 11 ARG HB2 1 11 ARG HD2 . . 3.920 3.159 2.482 3.867 . 0 0 "[ . 1 . 2]" 1
207 1 11 ARG HB2 1 11 ARG HD3 . . 3.920 3.479 2.620 3.907 . 0 0 "[ . 1 . 2]" 1
208 1 11 ARG HB2 1 11 ARG HE . . 4.680 3.145 2.854 4.101 . 0 0 "[ . 1 . 2]" 1
209 1 11 ARG HB2 1 12 LEU H . . 4.610 4.187 3.945 4.339 . 0 0 "[ . 1 . 2]" 1
210 1 11 ARG HB2 1 71 VAL MG2 . . 3.390 1.978 1.867 2.156 . 0 0 "[ . 1 . 2]" 1
211 1 11 ARG HB3 1 11 ARG HD2 . . 3.920 2.660 2.154 3.640 . 0 0 "[ . 1 . 2]" 1
212 1 11 ARG HB3 1 11 ARG HD3 . . 3.920 3.329 2.755 3.607 . 0 0 "[ . 1 . 2]" 1
213 1 11 ARG HB3 1 11 ARG HE . . 4.680 3.315 1.949 4.456 . 0 0 "[ . 1 . 2]" 1
214 1 11 ARG HB3 1 12 LEU H . . 4.610 3.545 3.431 3.690 . 0 0 "[ . 1 . 2]" 1
215 1 11 ARG HB3 1 71 VAL MG2 . . 3.390 2.861 2.526 3.193 . 0 0 "[ . 1 . 2]" 1
216 1 11 ARG QD 1 11 ARG QH1 . . 3.530 1.890 1.849 2.046 . 0 0 "[ . 1 . 2]" 1
217 1 11 ARG QD 1 21 LEU QD . . 4.420 4.090 3.841 4.417 . 0 0 "[ . 1 . 2]" 1
218 1 11 ARG QD 1 71 VAL MG2 . . 3.710 3.489 2.723 3.711 0.001 18 0 "[ . 1 . 2]" 1
219 1 11 ARG HD2 1 11 ARG QH1 . . 4.020 2.199 1.891 3.421 . 0 0 "[ . 1 . 2]" 1
220 1 11 ARG HD3 1 11 ARG QH1 . . 4.020 2.353 1.901 2.619 . 0 0 "[ . 1 . 2]" 1
221 1 11 ARG HE 1 71 VAL MG2 . . 4.470 3.912 2.728 4.471 0.001 10 0 "[ . 1 . 2]" 1
222 1 11 ARG QG 1 21 LEU QD . . 3.870 3.148 2.498 3.542 . 0 0 "[ . 1 . 2]" 1
223 1 11 ARG QG 1 71 VAL MG2 . . 4.490 3.735 3.306 3.902 . 0 0 "[ . 1 . 2]" 1
224 1 11 ARG HG2 1 69 ASN HA . . 5.040 4.899 4.226 5.044 0.004 7 0 "[ . 1 . 2]" 1
225 1 11 ARG HG3 1 69 ASN HA . . 5.040 3.866 3.552 4.254 . 0 0 "[ . 1 . 2]" 1
226 1 11 ARG QH1 1 71 VAL MG2 . . 4.250 4.142 3.771 4.251 0.001 10 0 "[ . 1 . 2]" 1
227 1 12 LEU H 1 12 LEU HB2 . . 3.360 2.378 2.322 2.426 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU H 1 12 LEU HB3 . . 3.970 3.600 3.577 3.616 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU H 1 12 LEU MD1 . . 4.520 3.558 3.460 3.744 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU H 1 12 LEU MD2 . . 3.980 3.862 3.751 3.936 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU H 1 12 LEU HG . . 3.440 2.685 2.551 2.903 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU H 1 13 LYS H . . 5.270 4.312 4.249 4.359 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU H 1 20 GLU H . . 3.810 2.865 2.666 3.029 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU H 1 20 GLU HB2 . . 5.500 5.069 4.956 5.184 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU H 1 21 LEU H . . 5.000 4.887 4.764 4.994 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU H 1 21 LEU HA . . 4.370 3.734 3.379 3.924 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU H 1 21 LEU QD . . 5.070 4.774 4.272 4.971 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU H 1 22 ALA MB . . 4.760 3.501 3.266 3.801 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU HB2 1 12 LEU MD1 . . 3.350 2.089 2.058 2.164 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU HB2 1 13 LYS H . . 5.500 4.426 4.380 4.477 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU HB2 1 14 PHE QE . . 4.550 3.152 2.762 3.427 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU HB2 1 20 GLU H . . 3.800 2.967 2.841 3.077 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU HB2 1 20 GLU HB2 . . 3.760 3.729 3.658 3.765 0.005 3 0 "[ . 1 . 2]" 1
244 1 12 LEU HB2 1 20 GLU HB3 . . 3.650 2.071 1.990 2.308 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU HB2 1 20 GLU QG . . 4.430 3.512 3.118 4.032 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU HB2 1 22 ALA MB . . 4.560 3.558 3.219 3.839 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HB2 1 38 PHE HZ . . 4.420 3.459 3.221 3.789 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU HB3 1 12 LEU MD1 . . 3.410 2.558 2.457 2.593 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HB3 1 12 LEU MD2 . . 3.270 2.220 2.104 2.289 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU HB3 1 13 LYS H . . 3.980 3.697 3.612 3.761 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU HB3 1 14 PHE QD . . 5.500 4.486 4.068 4.642 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU HB3 1 14 PHE QE . . 4.540 3.289 2.573 3.528 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU HB3 1 14 PHE HZ . . 5.150 3.332 3.113 3.581 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU HB3 1 19 GLU HA . . 5.500 5.130 4.984 5.219 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU HB3 1 20 GLU H . . 4.510 4.102 3.895 4.263 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU HB3 1 20 GLU HB2 . . 5.270 4.801 4.538 4.961 . 0 0 "[ . 1 . 2]" 1
257 1 12 LEU HB3 1 20 GLU HB3 . . 4.490 3.376 2.994 3.742 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU HB3 1 20 GLU QG . . 5.420 4.809 4.287 5.402 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU HB3 1 38 PHE QE . . 4.200 3.720 3.501 3.930 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU HB3 1 38 PHE HZ . . 4.230 2.748 2.388 3.159 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU MD1 1 14 PHE QE . . 4.000 3.840 3.532 3.998 . 0 0 "[ . 1 . 2]" 1
262 1 12 LEU MD1 1 20 GLU H . . 4.780 4.518 4.376 4.720 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU MD1 1 20 GLU HB2 . . 4.230 4.126 4.023 4.232 0.002 19 0 "[ . 1 . 2]" 1
264 1 12 LEU MD1 1 20 GLU HB3 . . 4.220 2.706 2.518 2.880 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU MD1 1 20 GLU QG . . 4.080 2.912 2.583 3.319 . 0 0 "[ . 1 . 2]" 1
266 1 12 LEU MD1 1 21 LEU H . . 5.500 5.302 5.110 5.501 0.001 3 0 "[ . 1 . 2]" 1
267 1 12 LEU MD1 1 22 ALA HA . . 4.790 4.134 3.962 4.384 . 0 0 "[ . 1 . 2]" 1
268 1 12 LEU MD1 1 22 ALA MB . . 3.120 1.854 1.788 1.971 . 0 0 "[ . 1 . 2]" 1
269 1 12 LEU MD1 1 23 VAL H . . 5.500 5.475 5.334 5.508 0.008 5 0 "[ . 1 . 2]" 1
270 1 12 LEU MD1 1 37 TYR HB2 . . 4.120 2.982 2.666 3.390 . 0 0 "[ . 1 . 2]" 1
271 1 12 LEU MD1 1 37 TYR HB3 . . 3.980 3.148 2.881 3.599 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU MD1 1 37 TYR QD . . 4.790 2.697 2.004 3.201 . 0 0 "[ . 1 . 2]" 1
273 1 12 LEU MD1 1 37 TYR QE . . 4.770 3.438 2.965 3.883 . 0 0 "[ . 1 . 2]" 1
274 1 12 LEU MD1 1 38 PHE QD . . 4.430 4.019 3.836 4.273 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU MD1 1 38 PHE QE . . 4.000 2.518 2.343 2.755 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU MD1 1 38 PHE HZ . . 4.270 2.167 1.933 2.461 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU MD2 1 13 LYS H . . 4.030 3.793 3.683 3.880 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU MD2 1 14 PHE QE . . 5.160 4.492 4.230 4.697 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU MD2 1 14 PHE HZ . . 5.500 4.511 4.275 4.782 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU MD2 1 37 TYR QE . . 5.310 4.163 2.981 4.993 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU MD2 1 38 PHE QE . . 4.040 2.423 2.160 2.802 . 0 0 "[ . 1 . 2]" 1
282 1 12 LEU MD2 1 72 ILE HA . . 5.500 4.955 4.815 5.127 . 0 0 "[ . 1 . 2]" 1
283 1 12 LEU MD2 1 72 ILE HB . . 3.060 2.335 2.180 2.510 . 0 0 "[ . 1 . 2]" 1
284 1 12 LEU MD2 1 72 ILE MG . . 3.070 2.940 2.726 3.066 . 0 0 "[ . 1 . 2]" 1
285 1 12 LEU MD2 1 74 CYS H . . 5.500 5.357 5.068 5.504 0.004 11 0 "[ . 1 . 2]" 1
286 1 12 LEU MD2 1 74 CYS HB2 . . 5.500 4.474 3.461 5.217 . 0 0 "[ . 1 . 2]" 1
287 1 12 LEU MD2 1 74 CYS QB . . 4.790 4.060 3.387 4.579 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU MD2 1 74 CYS HB3 . . 5.500 4.824 4.318 5.355 . 0 0 "[ . 1 . 2]" 1
289 1 12 LEU HG 1 20 GLU H . . 5.160 4.997 4.887 5.135 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU HG 1 22 ALA MB . . 3.300 2.413 2.126 2.728 . 0 0 "[ . 1 . 2]" 1
291 1 13 LYS H 1 13 LYS HB2 . . 3.540 2.647 2.484 2.773 . 0 0 "[ . 1 . 2]" 1
292 1 13 LYS H 1 13 LYS HB3 . . 3.370 2.680 2.556 2.859 . 0 0 "[ . 1 . 2]" 1
293 1 13 LYS H 1 13 LYS HG2 . . 4.730 4.476 4.383 4.515 . 0 0 "[ . 1 . 2]" 1
294 1 13 LYS H 1 13 LYS HG3 . . 4.780 4.717 4.635 4.750 . 0 0 "[ . 1 . 2]" 1
295 1 13 LYS H 1 14 PHE H . . 4.990 4.479 4.457 4.506 . 0 0 "[ . 1 . 2]" 1
296 1 13 LYS H 1 71 VAL MG2 . . 3.310 2.744 2.552 2.979 . 0 0 "[ . 1 . 2]" 1
297 1 13 LYS H 1 72 ILE H . . 4.160 3.025 2.877 3.293 . 0 0 "[ . 1 . 2]" 1
298 1 13 LYS H 1 72 ILE MG . . 4.840 4.450 4.334 4.568 . 0 0 "[ . 1 . 2]" 1
299 1 13 LYS H 1 74 CYS H . . 4.530 4.196 3.991 4.356 . 0 0 "[ . 1 . 2]" 1
300 1 13 LYS HB2 1 13 LYS QD . . 3.470 3.294 3.220 3.403 . 0 0 "[ . 1 . 2]" 1
301 1 13 LYS HB2 1 13 LYS QE . . 4.180 3.859 3.354 4.181 0.001 8 0 "[ . 1 . 2]" 1
302 1 13 LYS HB2 1 14 PHE H . . 4.320 4.304 4.268 4.354 0.034 7 0 "[ . 1 . 2]" 1
303 1 13 LYS HB2 1 19 GLU HG2 . . 4.380 3.001 2.315 3.889 . 0 0 "[ . 1 . 2]" 1
304 1 13 LYS HB2 1 19 GLU HG3 . . 4.580 3.502 2.869 4.395 . 0 0 "[ . 1 . 2]" 1
305 1 13 LYS HB2 1 20 GLU H . . 5.470 5.229 5.059 5.472 0.002 7 0 "[ . 1 . 2]" 1
306 1 13 LYS HB2 1 71 VAL MG1 . . 3.630 3.619 3.418 3.643 0.013 18 0 "[ . 1 . 2]" 1
307 1 13 LYS HB2 1 71 VAL MG2 . . 3.690 1.939 1.831 2.057 . 0 0 "[ . 1 . 2]" 1
308 1 13 LYS HB3 1 13 LYS QE . . 4.840 3.184 2.325 3.701 . 0 0 "[ . 1 . 2]" 1
309 1 13 LYS HB3 1 14 PHE H . . 4.670 4.010 3.818 4.158 . 0 0 "[ . 1 . 2]" 1
310 1 13 LYS HB3 1 19 GLU HG2 . . 5.450 4.542 3.881 5.435 . 0 0 "[ . 1 . 2]" 1
311 1 13 LYS HB3 1 71 VAL MG1 . . 4.060 3.835 3.506 4.061 0.001 7 0 "[ . 1 . 2]" 1
312 1 13 LYS HB3 1 71 VAL MG2 . . 3.820 2.876 2.562 3.147 . 0 0 "[ . 1 . 2]" 1
313 1 13 LYS HB3 1 73 HIS H . . 4.710 4.593 4.398 4.700 . 0 0 "[ . 1 . 2]" 1
314 1 13 LYS HB3 1 73 HIS HD2 . . 5.500 5.307 4.958 5.499 . 0 0 "[ . 1 . 2]" 1
315 1 13 LYS HB3 1 73 HIS HE1 . . 5.500 5.033 4.438 5.502 0.002 15 0 "[ . 1 . 2]" 1
316 1 13 LYS HB3 1 74 CYS H . . 4.580 3.870 3.477 4.164 . 0 0 "[ . 1 . 2]" 1
317 1 13 LYS QD 1 14 PHE H . . 4.380 2.707 2.426 2.918 . 0 0 "[ . 1 . 2]" 1
318 1 13 LYS QD 1 19 GLU HG2 . . 5.340 4.762 3.874 5.332 . 0 0 "[ . 1 . 2]" 1
319 1 13 LYS QD 1 19 GLU HG3 . . 4.310 4.115 3.802 4.310 . 0 0 "[ . 1 . 2]" 1
320 1 13 LYS QD 1 71 VAL MG2 . . 4.760 4.183 3.886 4.519 . 0 0 "[ . 1 . 2]" 1
321 1 13 LYS QD 1 74 CYS H . . 3.800 3.758 3.587 3.808 0.008 19 0 "[ . 1 . 2]" 1
322 1 13 LYS HD2 1 14 PHE H . . 5.040 3.573 2.510 4.326 . 0 0 "[ . 1 . 2]" 1
323 1 13 LYS HD3 1 14 PHE H . . 5.040 3.021 2.566 3.380 . 0 0 "[ . 1 . 2]" 1
324 1 13 LYS QE 1 13 LYS HG2 . . 3.530 3.060 2.599 3.529 . 0 0 "[ . 1 . 2]" 1
325 1 13 LYS QE 1 13 LYS HG3 . . 3.620 2.293 2.078 2.695 . 0 0 "[ . 1 . 2]" 1
326 1 13 LYS QE 1 17 ASP HA . . 4.280 3.827 2.919 4.286 0.006 19 0 "[ . 1 . 2]" 1
327 1 13 LYS QE 1 71 VAL MG1 . . 4.920 4.551 4.009 4.922 0.002 1 0 "[ . 1 . 2]" 1
328 1 13 LYS QE 1 71 VAL MG2 . . 4.570 4.230 3.843 4.548 . 0 0 "[ . 1 . 2]" 1
329 1 13 LYS QE 1 73 HIS HE1 . . 4.590 3.457 2.803 4.114 . 0 0 "[ . 1 . 2]" 1
330 1 13 LYS HG2 1 14 PHE H . . 4.300 2.885 2.760 3.066 . 0 0 "[ . 1 . 2]" 1
331 1 13 LYS HG2 1 17 ASP HA . . 4.760 4.557 4.339 4.765 0.005 15 0 "[ . 1 . 2]" 1
332 1 13 LYS HG2 1 19 GLU HG2 . . 4.590 3.035 2.025 3.590 . 0 0 "[ . 1 . 2]" 1
333 1 13 LYS HG2 1 71 VAL MG1 . . 5.480 5.432 5.191 5.486 0.006 16 0 "[ . 1 . 2]" 1
334 1 13 LYS HG2 1 71 VAL MG2 . . 4.790 3.882 3.543 4.065 . 0 0 "[ . 1 . 2]" 1
335 1 13 LYS HG3 1 14 PHE H . . 4.450 4.431 4.365 4.483 0.033 7 0 "[ . 1 . 2]" 1
336 1 13 LYS HG3 1 17 ASP HA . . 5.500 5.286 4.910 5.501 0.001 8 0 "[ . 1 . 2]" 1
337 1 13 LYS HG3 1 19 GLU HA . . 5.500 5.031 4.765 5.268 . 0 0 "[ . 1 . 2]" 1
338 1 13 LYS HG3 1 19 GLU HG2 . . 4.260 3.500 3.041 3.919 . 0 0 "[ . 1 . 2]" 1
339 1 13 LYS HG3 1 19 GLU HG3 . . 4.410 3.300 2.994 3.728 . 0 0 "[ . 1 . 2]" 1
340 1 13 LYS HG3 1 71 VAL MG1 . . 4.310 4.221 3.933 4.319 0.009 15 0 "[ . 1 . 2]" 1
341 1 13 LYS HG3 1 71 VAL MG2 . . 3.910 3.046 2.707 3.187 . 0 0 "[ . 1 . 2]" 1
342 1 14 PHE H 1 14 PHE HB2 . . 3.420 2.655 2.550 2.753 . 0 0 "[ . 1 . 2]" 1
343 1 14 PHE H 1 14 PHE HB3 . . 3.820 3.725 3.709 3.736 . 0 0 "[ . 1 . 2]" 1
344 1 14 PHE H 1 14 PHE QD . . 3.870 1.997 1.898 2.343 . 0 0 "[ . 1 . 2]" 1
345 1 14 PHE H 1 17 ASP HA . . 5.360 5.125 4.744 5.356 . 0 0 "[ . 1 . 2]" 1
346 1 14 PHE H 1 18 THR MG . . 4.770 2.790 2.095 3.109 . 0 0 "[ . 1 . 2]" 1
347 1 14 PHE H 1 19 GLU HA . . 3.700 3.303 3.080 3.694 . 0 0 "[ . 1 . 2]" 1
348 1 14 PHE H 1 19 GLU HG3 . . 4.520 3.943 3.552 4.413 . 0 0 "[ . 1 . 2]" 1
349 1 14 PHE HA 1 14 PHE QD . . 3.710 3.208 3.091 3.246 . 0 0 "[ . 1 . 2]" 1
350 1 14 PHE HA 1 15 LEU H . . 3.190 2.385 2.302 2.434 . 0 0 "[ . 1 . 2]" 1
351 1 14 PHE HA 1 15 LEU QB . . 4.820 4.499 4.364 4.671 . 0 0 "[ . 1 . 2]" 1
352 1 14 PHE HA 1 15 LEU HG . . 5.060 4.249 3.723 5.041 . 0 0 "[ . 1 . 2]" 1
353 1 14 PHE HA 1 74 CYS H . . 3.920 2.688 2.437 2.949 . 0 0 "[ . 1 . 2]" 1
354 1 14 PHE HB2 1 15 LEU H . . 4.020 3.511 3.383 3.714 . 0 0 "[ . 1 . 2]" 1
355 1 14 PHE HB2 1 16 ASN H . . 4.320 2.566 2.411 2.910 . 0 0 "[ . 1 . 2]" 1
356 1 14 PHE HB2 1 17 ASP H . . 4.690 4.281 3.889 4.594 . 0 0 "[ . 1 . 2]" 1
357 1 14 PHE HB2 1 18 THR H . . 4.230 3.172 2.903 3.313 . 0 0 "[ . 1 . 2]" 1
358 1 14 PHE HB2 1 18 THR HB . . 4.920 4.425 3.300 4.831 . 0 0 "[ . 1 . 2]" 1
359 1 14 PHE HB3 1 15 LEU H . . 3.540 2.528 2.392 2.709 . 0 0 "[ . 1 . 2]" 1
360 1 14 PHE HB3 1 16 ASN H . . 4.150 2.773 2.623 2.908 . 0 0 "[ . 1 . 2]" 1
361 1 14 PHE HB3 1 18 THR H . . 5.150 4.748 4.468 4.928 . 0 0 "[ . 1 . 2]" 1
362 1 14 PHE QD 1 18 THR MG . . 4.370 2.057 1.904 2.327 . 0 0 "[ . 1 . 2]" 1
363 1 14 PHE QD 1 19 GLU HA . . 3.890 2.896 2.570 3.320 . 0 0 "[ . 1 . 2]" 1
364 1 14 PHE QD 1 45 MET ME . . 3.830 3.559 3.061 3.824 . 0 0 "[ . 1 . 2]" 1
365 1 14 PHE QD 1 74 CYS H . . 5.500 4.849 4.549 5.089 . 0 0 "[ . 1 . 2]" 1
366 1 14 PHE QD 1 74 CYS HB2 . . 4.530 3.240 2.438 4.065 . 0 0 "[ . 1 . 2]" 1
367 1 14 PHE QD 1 74 CYS QB . . 3.790 2.789 2.325 3.230 . 0 0 "[ . 1 . 2]" 1
368 1 14 PHE QD 1 74 CYS HB3 . . 4.530 3.278 2.621 3.943 . 0 0 "[ . 1 . 2]" 1
369 1 15 LEU H 1 15 LEU HB2 . . 3.600 2.314 2.177 2.549 . 0 0 "[ . 1 . 2]" 1
370 1 15 LEU H 1 15 LEU QB . . 3.050 2.285 2.156 2.498 . 0 0 "[ . 1 . 2]" 1
371 1 15 LEU H 1 15 LEU HB3 . . 3.600 3.549 3.490 3.591 . 0 0 "[ . 1 . 2]" 1
372 1 15 LEU H 1 15 LEU MD1 . . 4.570 3.396 1.954 3.712 . 0 0 "[ . 1 . 2]" 1
373 1 15 LEU H 1 15 LEU QD . . 3.820 3.117 1.950 3.397 . 0 0 "[ . 1 . 2]" 1
374 1 15 LEU H 1 15 LEU MD2 . . 4.570 3.785 3.495 4.126 . 0 0 "[ . 1 . 2]" 1
375 1 15 LEU H 1 15 LEU HG . . 3.830 2.687 2.152 3.491 . 0 0 "[ . 1 . 2]" 1
376 1 15 LEU H 1 16 ASN H . . 4.120 2.635 2.542 2.694 . 0 0 "[ . 1 . 2]" 1
377 1 15 LEU HA 1 15 LEU QD . . 3.260 2.273 2.099 2.974 . 0 0 "[ . 1 . 2]" 1
378 1 15 LEU HA 1 15 LEU HG . . 3.610 2.795 2.317 2.996 . 0 0 "[ . 1 . 2]" 1
379 1 15 LEU HA 1 17 ASP H . . 4.110 3.224 3.166 3.368 . 0 0 "[ . 1 . 2]" 1
380 1 15 LEU HA 1 17 ASP HA . . 4.890 4.807 4.742 4.939 0.049 7 0 "[ . 1 . 2]" 1
381 1 15 LEU QB 1 16 ASN H . . 3.740 3.209 2.957 3.336 . 0 0 "[ . 1 . 2]" 1
382 1 15 LEU HB2 1 16 ASN H . . 4.370 3.374 3.078 3.556 . 0 0 "[ . 1 . 2]" 1
383 1 15 LEU HB3 1 16 ASN H . . 4.370 4.025 3.828 4.260 . 0 0 "[ . 1 . 2]" 1
384 1 15 LEU QD 1 16 ASN H . . 4.610 4.376 4.085 4.466 . 0 0 "[ . 1 . 2]" 1
385 1 15 LEU QD 1 75 HIS HA . . 3.730 2.170 1.916 2.606 . 0 0 "[ . 1 . 2]" 1
386 1 15 LEU QD 1 75 HIS QB . . 4.680 3.210 2.767 3.747 . 0 0 "[ . 1 . 2]" 1
387 1 15 LEU QD 1 75 HIS HD2 . . 4.660 3.004 2.249 3.604 . 0 0 "[ . 1 . 2]" 1
388 1 15 LEU QD 1 75 HIS HE1 . . 3.900 3.156 2.685 3.902 0.002 6 0 "[ . 1 . 2]" 1
389 1 15 LEU QD 1 76 ARG H . . 4.200 2.472 1.824 3.066 . 0 0 "[ . 1 . 2]" 1
390 1 15 LEU MD1 1 16 ASN H . . 5.320 4.973 4.246 5.236 . 0 0 "[ . 1 . 2]" 1
391 1 15 LEU MD1 1 75 HIS HA . . 4.630 2.179 1.922 2.623 . 0 0 "[ . 1 . 2]" 1
392 1 15 LEU MD1 1 75 HIS HE1 . . 4.500 3.484 2.835 4.399 . 0 0 "[ . 1 . 2]" 1
393 1 15 LEU MD2 1 16 ASN H . . 5.320 4.906 4.783 5.311 . 0 0 "[ . 1 . 2]" 1
394 1 15 LEU MD2 1 75 HIS HA . . 4.630 4.129 3.602 4.582 . 0 0 "[ . 1 . 2]" 1
395 1 15 LEU MD2 1 75 HIS HE1 . . 4.500 3.663 2.906 4.456 . 0 0 "[ . 1 . 2]" 1
396 1 15 LEU HG 1 75 HIS HD2 . . 4.610 3.387 2.409 4.605 . 0 0 "[ . 1 . 2]" 1
397 1 16 ASN H 1 16 ASN QB . . 3.550 2.489 2.268 2.790 . 0 0 "[ . 1 . 2]" 1
398 1 16 ASN H 1 17 ASP H . . 3.680 2.753 2.605 3.068 . 0 0 "[ . 1 . 2]" 1
399 1 16 ASN QB 1 16 ASN QD . . 3.060 2.087 2.063 2.175 . 0 0 "[ . 1 . 2]" 1
400 1 16 ASN QB 1 17 ASP H . . 4.140 3.697 3.528 4.032 . 0 0 "[ . 1 . 2]" 1
401 1 16 ASN QB 1 18 THR MG . . 4.360 2.335 1.882 4.157 . 0 0 "[ . 1 . 2]" 1
402 1 16 ASN HB2 1 17 ASP H . . 4.770 4.137 3.704 4.582 . 0 0 "[ . 1 . 2]" 1
403 1 16 ASN HB3 1 17 ASP H . . 4.770 4.301 3.841 4.633 . 0 0 "[ . 1 . 2]" 1
404 1 16 ASN HD21 1 18 THR MG . . 4.380 2.676 2.002 4.098 . 0 0 "[ . 1 . 2]" 1
405 1 16 ASN HD22 1 18 THR MG . . 4.380 3.832 1.873 4.340 . 0 0 "[ . 1 . 2]" 1
406 1 17 ASP H 1 17 ASP HB2 . . 4.210 3.427 3.087 3.934 . 0 0 "[ . 1 . 2]" 1
407 1 17 ASP H 1 17 ASP QB . . 3.670 3.202 2.893 3.440 . 0 0 "[ . 1 . 2]" 1
408 1 17 ASP H 1 17 ASP HB3 . . 4.210 3.938 2.977 4.102 . 0 0 "[ . 1 . 2]" 1
409 1 17 ASP H 1 18 THR H . . 3.500 2.660 2.518 3.048 . 0 0 "[ . 1 . 2]" 1
410 1 17 ASP HA 1 18 THR H . . 3.540 2.894 2.615 2.984 . 0 0 "[ . 1 . 2]" 1
411 1 17 ASP HB2 1 18 THR H . . 4.580 4.256 4.034 4.601 0.021 10 0 "[ . 1 . 2]" 1
412 1 17 ASP HB3 1 18 THR H . . 4.580 4.348 4.016 4.522 . 0 0 "[ . 1 . 2]" 1
413 1 18 THR H 1 18 THR HB . . 3.820 3.063 2.861 3.266 . 0 0 "[ . 1 . 2]" 1
414 1 18 THR H 1 18 THR MG . . 3.440 2.126 1.880 2.558 . 0 0 "[ . 1 . 2]" 1
415 1 18 THR HA 1 18 THR MG . . 3.260 3.191 3.148 3.207 . 0 0 "[ . 1 . 2]" 1
416 1 18 THR HA 1 19 GLU H . . 2.810 2.441 2.333 2.531 . 0 0 "[ . 1 . 2]" 1
417 1 18 THR HA 1 19 GLU HB2 . . 4.810 4.346 4.149 4.549 . 0 0 "[ . 1 . 2]" 1
418 1 18 THR HA 1 19 GLU HG3 . . 4.790 4.080 3.622 4.563 . 0 0 "[ . 1 . 2]" 1
419 1 18 THR HB 1 19 GLU H . . 3.830 3.761 3.604 3.847 0.017 7 0 "[ . 1 . 2]" 1
420 1 18 THR MG 1 19 GLU H . . 3.670 3.230 2.694 3.653 . 0 0 "[ . 1 . 2]" 1
421 1 18 THR MG 1 19 GLU HA . . 4.790 3.608 3.209 3.929 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU H 1 19 GLU HB2 . . 3.630 2.718 2.545 2.867 . 0 0 "[ . 1 . 2]" 1
423 1 19 GLU H 1 19 GLU HB3 . . 3.970 3.802 3.681 3.905 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLU H 1 19 GLU HG2 . . 4.700 4.572 4.290 4.693 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLU H 1 19 GLU HG3 . . 4.420 3.576 3.143 3.902 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLU HA 1 19 GLU HG2 . . 3.780 2.957 2.495 3.597 . 0 0 "[ . 1 . 2]" 1
427 1 19 GLU HA 1 19 GLU HG3 . . 4.200 2.574 2.342 2.938 . 0 0 "[ . 1 . 2]" 1
428 1 19 GLU HA 1 20 GLU H . . 2.820 2.288 2.234 2.342 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLU HB2 1 20 GLU H . . 4.000 3.941 3.763 4.002 0.002 7 0 "[ . 1 . 2]" 1
430 1 19 GLU HB3 1 20 GLU H . . 4.020 2.741 2.601 2.891 . 0 0 "[ . 1 . 2]" 1
431 1 19 GLU HG3 1 20 GLU H . . 5.150 4.453 4.101 4.844 . 0 0 "[ . 1 . 2]" 1
432 1 20 GLU H 1 20 GLU HB2 . . 3.810 3.241 3.037 3.402 . 0 0 "[ . 1 . 2]" 1
433 1 20 GLU H 1 20 GLU HB3 . . 3.630 2.731 2.645 2.904 . 0 0 "[ . 1 . 2]" 1
434 1 20 GLU H 1 20 GLU QG . . 4.420 4.086 3.999 4.251 . 0 0 "[ . 1 . 2]" 1
435 1 20 GLU H 1 21 LEU H . . 4.770 4.297 4.246 4.347 . 0 0 "[ . 1 . 2]" 1
436 1 20 GLU HB2 1 21 LEU H . . 4.480 4.154 4.056 4.326 . 0 0 "[ . 1 . 2]" 1
437 1 20 GLU HB2 1 38 PHE QE . . 4.990 4.791 4.547 4.994 0.004 14 0 "[ . 1 . 2]" 1
438 1 20 GLU HB2 1 38 PHE HZ . . 5.070 4.917 4.781 5.030 . 0 0 "[ . 1 . 2]" 1
439 1 20 GLU HB3 1 21 LEU H . . 4.280 4.161 4.042 4.281 0.001 7 0 "[ . 1 . 2]" 1
440 1 20 GLU HB3 1 38 PHE HZ . . 3.890 3.891 3.873 3.899 0.009 18 0 "[ . 1 . 2]" 1
441 1 20 GLU QG 1 21 LEU H . . 3.790 2.781 2.522 3.322 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLU QG 1 22 ALA HA . . 4.790 4.483 4.300 4.785 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLU QG 1 22 ALA MB . . 4.390 3.367 2.934 3.867 . 0 0 "[ . 1 . 2]" 1
444 1 21 LEU H 1 21 LEU HB2 . . 3.200 2.485 2.255 2.602 . 0 0 "[ . 1 . 2]" 1
445 1 21 LEU H 1 21 LEU QB . . 2.780 2.241 2.171 2.267 . 0 0 "[ . 1 . 2]" 1
446 1 21 LEU H 1 21 LEU HB3 . . 3.200 2.583 2.472 2.834 . 0 0 "[ . 1 . 2]" 1
447 1 21 LEU H 1 21 LEU MD1 . . 4.860 4.073 3.978 4.292 . 0 0 "[ . 1 . 2]" 1
448 1 21 LEU H 1 21 LEU QD . . 4.200 3.678 3.603 3.761 . 0 0 "[ . 1 . 2]" 1
449 1 21 LEU H 1 21 LEU MD2 . . 4.860 4.198 3.941 4.262 . 0 0 "[ . 1 . 2]" 1
450 1 21 LEU H 1 21 LEU HG . . 4.640 4.485 4.254 4.629 . 0 0 "[ . 1 . 2]" 1
451 1 21 LEU H 1 22 ALA H . . 4.920 4.474 4.437 4.548 . 0 0 "[ . 1 . 2]" 1
452 1 21 LEU H 1 22 ALA MB . . 5.330 4.885 4.790 4.998 . 0 0 "[ . 1 . 2]" 1
453 1 21 LEU HA 1 21 LEU MD1 . . 3.980 2.416 1.959 3.840 . 0 0 "[ . 1 . 2]" 1
454 1 21 LEU HA 1 21 LEU QD . . 3.110 2.070 1.953 2.377 . 0 0 "[ . 1 . 2]" 1
455 1 21 LEU HA 1 21 LEU MD2 . . 3.980 3.424 1.998 3.875 . 0 0 "[ . 1 . 2]" 1
456 1 21 LEU HA 1 22 ALA H . . 2.800 2.142 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
457 1 21 LEU HA 1 22 ALA MB . . 4.070 3.932 3.861 3.960 . 0 0 "[ . 1 . 2]" 1
458 1 21 LEU QB 1 22 ALA H . . 4.010 3.799 3.681 3.843 . 0 0 "[ . 1 . 2]" 1
459 1 21 LEU HB2 1 22 ALA H . . 4.560 4.359 4.272 4.468 . 0 0 "[ . 1 . 2]" 1
460 1 21 LEU HB3 1 22 ALA H . . 4.560 4.188 3.960 4.291 . 0 0 "[ . 1 . 2]" 1
461 1 21 LEU QD 1 22 ALA H . . 3.660 2.449 2.018 2.840 . 0 0 "[ . 1 . 2]" 1
462 1 21 LEU QD 1 22 ALA HA . . 4.540 3.877 2.791 4.217 . 0 0 "[ . 1 . 2]" 1
463 1 21 LEU QD 1 23 VAL H . . 5.040 4.351 3.012 4.921 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU QD 1 23 VAL HA . . 4.630 4.353 3.530 4.631 0.001 13 0 "[ . 1 . 2]" 1
465 1 21 LEU HG 1 22 ALA H . . 4.740 3.619 3.213 4.608 . 0 0 "[ . 1 . 2]" 1
466 1 22 ALA H 1 22 ALA MB . . 3.110 2.579 2.524 2.633 . 0 0 "[ . 1 . 2]" 1
467 1 22 ALA HA 1 23 VAL H . . 2.810 2.162 2.141 2.222 . 0 0 "[ . 1 . 2]" 1
468 1 22 ALA HA 1 23 VAL HB . . 4.630 4.572 4.421 4.631 0.001 8 0 "[ . 1 . 2]" 1
469 1 22 ALA HA 1 23 VAL QG . . 4.180 3.688 3.546 3.842 . 0 0 "[ . 1 . 2]" 1
470 1 22 ALA HA 1 37 TYR QE . . 3.970 3.094 2.435 3.655 . 0 0 "[ . 1 . 2]" 1
471 1 22 ALA MB 1 23 VAL H . . 3.340 3.156 2.915 3.340 0.000 2 0 "[ . 1 . 2]" 1
472 1 22 ALA MB 1 23 VAL HA . . 4.380 4.260 4.154 4.338 . 0 0 "[ . 1 . 2]" 1
473 1 22 ALA MB 1 24 ALA H . . 4.890 4.774 4.707 4.833 . 0 0 "[ . 1 . 2]" 1
474 1 22 ALA MB 1 24 ALA MB . . 3.990 3.815 3.681 3.931 . 0 0 "[ . 1 . 2]" 1
475 1 22 ALA MB 1 37 TYR H . . 5.460 5.388 4.993 5.474 0.014 19 0 "[ . 1 . 2]" 1
476 1 22 ALA MB 1 37 TYR QD . . 4.270 2.975 2.712 3.045 . 0 0 "[ . 1 . 2]" 1
477 1 22 ALA MB 1 37 TYR QE . . 3.580 2.423 2.172 2.560 . 0 0 "[ . 1 . 2]" 1
478 1 23 VAL H 1 23 VAL HB . . 3.220 2.618 2.468 2.838 . 0 0 "[ . 1 . 2]" 1
479 1 23 VAL H 1 23 VAL MG1 . . 3.860 2.973 1.895 3.802 . 0 0 "[ . 1 . 2]" 1
480 1 23 VAL H 1 23 VAL QG . . 3.210 2.225 1.890 2.651 . 0 0 "[ . 1 . 2]" 1
481 1 23 VAL H 1 23 VAL MG2 . . 3.860 3.066 2.268 3.836 . 0 0 "[ . 1 . 2]" 1
482 1 23 VAL H 1 36 LYS QE . . 5.500 4.682 3.742 5.506 0.006 6 0 "[ . 1 . 2]" 1
483 1 23 VAL H 1 37 TYR QE . . 4.270 3.212 2.434 3.622 . 0 0 "[ . 1 . 2]" 1
484 1 23 VAL HA 1 23 VAL MG1 . . 3.280 2.754 2.312 3.202 . 0 0 "[ . 1 . 2]" 1
485 1 23 VAL HA 1 23 VAL MG2 . . 3.280 2.343 2.245 2.419 . 0 0 "[ . 1 . 2]" 1
486 1 23 VAL HA 1 24 ALA H . . 2.770 2.142 2.141 2.145 . 0 0 "[ . 1 . 2]" 1
487 1 23 VAL HA 1 24 ALA MB . . 4.190 3.951 3.909 3.976 . 0 0 "[ . 1 . 2]" 1
488 1 23 VAL HB 1 24 ALA H . . 4.440 4.271 4.222 4.324 . 0 0 "[ . 1 . 2]" 1
489 1 23 VAL QG 1 24 ALA H . . 3.240 2.602 2.489 2.731 . 0 0 "[ . 1 . 2]" 1
490 1 23 VAL QG 1 37 TYR QE . . 5.330 4.004 3.215 4.677 . 0 0 "[ . 1 . 2]" 1
491 1 23 VAL MG1 1 24 ALA H . . 4.190 3.248 2.513 4.086 . 0 0 "[ . 1 . 2]" 1
492 1 23 VAL MG2 1 24 ALA H . . 4.190 3.421 2.511 4.078 . 0 0 "[ . 1 . 2]" 1
493 1 24 ALA H 1 24 ALA MB . . 3.060 2.516 2.432 2.569 . 0 0 "[ . 1 . 2]" 1
494 1 24 ALA MB 1 25 ARG H . . 3.070 2.607 2.567 2.656 . 0 0 "[ . 1 . 2]" 1
495 1 24 ALA MB 1 28 ASP H . . 5.420 5.303 5.006 5.425 0.005 7 0 "[ . 1 . 2]" 1
496 1 24 ALA MB 1 28 ASP QB . . 3.740 3.571 3.376 3.780 0.040 15 0 "[ . 1 . 2]" 1
497 1 24 ALA MB 1 33 LEU HA . . 4.890 4.668 4.343 4.903 0.013 14 0 "[ . 1 . 2]" 1
498 1 24 ALA MB 1 33 LEU MD1 . . 2.990 1.816 1.713 1.984 . 0 0 "[ . 1 . 2]" 1
499 1 24 ALA MB 1 37 TYR QE . . 4.660 3.489 3.255 3.639 . 0 0 "[ . 1 . 2]" 1
500 1 24 ALA MB 1 61 LEU MD1 . . 2.920 1.941 1.799 2.142 . 0 0 "[ . 1 . 2]" 1
501 1 24 ALA MB 1 66 ILE MD . . 4.800 4.246 4.100 4.374 . 0 0 "[ . 1 . 2]" 1
502 1 25 ARG H 1 25 ARG HB2 . . 3.380 2.503 2.401 2.655 . 0 0 "[ . 1 . 2]" 1
503 1 25 ARG H 1 25 ARG HB3 . . 3.880 3.688 3.617 3.744 . 0 0 "[ . 1 . 2]" 1
504 1 25 ARG H 1 25 ARG QD . . 5.500 4.419 2.258 4.797 . 0 0 "[ . 1 . 2]" 1
505 1 25 ARG H 1 25 ARG HG2 . . 4.390 3.780 3.445 4.235 . 0 0 "[ . 1 . 2]" 1
506 1 25 ARG H 1 25 ARG QG . . 3.630 2.986 2.557 3.590 . 0 0 "[ . 1 . 2]" 1
507 1 25 ARG H 1 25 ARG HG3 . . 4.390 3.136 2.616 3.900 . 0 0 "[ . 1 . 2]" 1
508 1 25 ARG H 1 26 PRO HD3 . . 5.500 5.018 4.993 5.033 . 0 0 "[ . 1 . 2]" 1
509 1 25 ARG H 1 28 ASP H . . 4.970 3.803 3.653 3.911 . 0 0 "[ . 1 . 2]" 1
510 1 25 ARG H 1 28 ASP HB2 . . 4.150 2.651 2.465 3.947 . 0 0 "[ . 1 . 2]" 1
511 1 25 ARG H 1 28 ASP QB . . 3.530 2.556 2.437 2.659 . 0 0 "[ . 1 . 2]" 1
512 1 25 ARG H 1 28 ASP HB3 . . 4.150 3.893 2.703 4.088 . 0 0 "[ . 1 . 2]" 1
513 1 25 ARG H 1 33 LEU MD1 . . 4.810 3.848 3.701 4.009 . 0 0 "[ . 1 . 2]" 1
514 1 25 ARG H 1 61 LEU MD1 . . 4.420 2.641 2.316 2.991 . 0 0 "[ . 1 . 2]" 1
515 1 25 ARG H 1 61 LEU MD2 . . 5.140 4.939 4.704 5.145 0.005 15 0 "[ . 1 . 2]" 1
516 1 25 ARG H 1 66 ILE MG . . 5.500 5.501 5.475 5.529 0.029 15 0 "[ . 1 . 2]" 1
517 1 25 ARG HB2 1 25 ARG QD . . 3.490 2.802 2.198 3.155 . 0 0 "[ . 1 . 2]" 1
518 1 25 ARG HB2 1 26 PRO HD2 . . 3.950 3.624 3.489 3.696 . 0 0 "[ . 1 . 2]" 1
519 1 25 ARG HB2 1 26 PRO HD3 . . 4.750 4.698 4.600 4.749 . 0 0 "[ . 1 . 2]" 1
520 1 25 ARG HB2 1 27 GLU H . . 4.010 3.007 2.692 3.242 . 0 0 "[ . 1 . 2]" 1
521 1 25 ARG HB2 1 27 GLU QG . . 4.770 3.134 2.460 4.731 . 0 0 "[ . 1 . 2]" 1
522 1 25 ARG HB2 1 28 ASP H . . 3.880 2.533 2.409 2.758 . 0 0 "[ . 1 . 2]" 1
523 1 25 ARG HB3 1 26 PRO HD2 . . 3.350 2.043 1.992 2.111 . 0 0 "[ . 1 . 2]" 1
524 1 25 ARG HB3 1 26 PRO HD3 . . 3.560 3.486 3.431 3.543 . 0 0 "[ . 1 . 2]" 1
525 1 25 ARG HB3 1 27 GLU H . . 3.330 2.481 2.338 2.760 . 0 0 "[ . 1 . 2]" 1
526 1 25 ARG HB3 1 28 ASP H . . 4.310 3.242 3.058 3.615 . 0 0 "[ . 1 . 2]" 1
527 1 25 ARG QD 1 26 PRO HD2 . . 4.630 3.558 3.125 4.536 . 0 0 "[ . 1 . 2]" 1
528 1 25 ARG QD 1 26 PRO HD3 . . 5.490 4.795 4.471 5.174 . 0 0 "[ . 1 . 2]" 1
529 1 25 ARG QD 1 27 GLU QG . . 4.780 3.480 2.658 4.629 . 0 0 "[ . 1 . 2]" 1
530 1 25 ARG QG 1 26 PRO HD2 . . 4.510 3.242 2.922 3.576 . 0 0 "[ . 1 . 2]" 1
531 1 25 ARG QG 1 26 PRO HD3 . . 4.680 3.923 3.613 4.229 . 0 0 "[ . 1 . 2]" 1
532 1 26 PRO HA 1 27 GLU HA . . 4.810 4.572 4.529 4.623 . 0 0 "[ . 1 . 2]" 1
533 1 26 PRO HA 1 28 ASP H . . 4.790 4.578 4.184 4.787 . 0 0 "[ . 1 . 2]" 1
534 1 26 PRO HA 1 61 LEU HA . . 4.870 4.762 4.714 4.823 . 0 0 "[ . 1 . 2]" 1
535 1 26 PRO HA 1 61 LEU HB2 . . 3.550 2.011 1.994 2.085 . 0 0 "[ . 1 . 2]" 1
536 1 26 PRO HA 1 61 LEU HB3 . . 3.710 3.514 3.290 3.658 . 0 0 "[ . 1 . 2]" 1
537 1 26 PRO HA 1 61 LEU MD1 . . 3.970 3.746 3.567 3.875 . 0 0 "[ . 1 . 2]" 1
538 1 26 PRO HA 1 61 LEU MD2 . . 4.940 4.705 4.638 4.766 . 0 0 "[ . 1 . 2]" 1
539 1 26 PRO HA 1 61 LEU HG . . 4.810 3.719 3.574 3.852 . 0 0 "[ . 1 . 2]" 1
540 1 26 PRO HA 1 62 SER H . . 3.900 3.005 2.857 3.203 . 0 0 "[ . 1 . 2]" 1
541 1 26 PRO HA 1 62 SER HB2 . . 4.840 3.876 3.017 4.845 0.005 2 0 "[ . 1 . 2]" 1
542 1 26 PRO HA 1 62 SER QB . . 4.040 3.178 2.969 3.581 . 0 0 "[ . 1 . 2]" 1
543 1 26 PRO HA 1 62 SER HB3 . . 4.840 3.899 3.100 4.633 . 0 0 "[ . 1 . 2]" 1
544 1 26 PRO HA 1 66 ILE MD . . 5.500 5.499 5.424 5.516 0.016 7 0 "[ . 1 . 2]" 1
545 1 26 PRO HB2 1 62 SER HB2 . . 3.860 2.652 1.995 3.717 . 0 0 "[ . 1 . 2]" 1
546 1 26 PRO HB2 1 62 SER HB3 . . 3.860 3.046 1.998 3.861 0.001 6 0 "[ . 1 . 2]" 1
547 1 26 PRO HB3 1 62 SER H . . 4.710 4.499 4.342 4.688 . 0 0 "[ . 1 . 2]" 1
548 1 26 PRO HB3 1 62 SER HA . . 4.620 3.544 3.404 3.768 . 0 0 "[ . 1 . 2]" 1
549 1 26 PRO HB3 1 62 SER QB . . 3.640 3.111 2.932 3.508 . 0 0 "[ . 1 . 2]" 1
550 1 26 PRO HD2 1 27 GLU H . . 3.750 2.943 2.786 3.063 . 0 0 "[ . 1 . 2]" 1
551 1 26 PRO HD3 1 27 GLU H . . 4.380 3.999 3.916 4.062 . 0 0 "[ . 1 . 2]" 1
552 1 26 PRO HG2 1 27 GLU H . . 3.740 3.213 2.933 3.396 . 0 0 "[ . 1 . 2]" 1
553 1 26 PRO HG3 1 27 GLU H . . 4.840 4.516 4.303 4.656 . 0 0 "[ . 1 . 2]" 1
554 1 27 GLU H 1 27 GLU HB2 . . 3.850 3.451 2.467 3.770 . 0 0 "[ . 1 . 2]" 1
555 1 27 GLU H 1 27 GLU QB . . 3.370 2.739 2.244 2.962 . 0 0 "[ . 1 . 2]" 1
556 1 27 GLU H 1 27 GLU HB3 . . 3.850 3.065 2.283 3.713 . 0 0 "[ . 1 . 2]" 1
557 1 27 GLU H 1 27 GLU QG . . 3.570 2.310 1.924 3.656 0.086 18 0 "[ . 1 . 2]" 1
558 1 27 GLU H 1 28 ASP H . . 3.320 2.068 1.903 2.193 . 0 0 "[ . 1 . 2]" 1
559 1 27 GLU HA 1 27 GLU QG . . 3.480 3.203 2.298 3.449 . 0 0 "[ . 1 . 2]" 1
560 1 27 GLU HA 1 60 THR MG . . 3.340 3.036 2.586 3.295 . 0 0 "[ . 1 . 2]" 1
561 1 27 GLU HA 1 61 LEU H . . 4.660 4.408 4.219 4.568 . 0 0 "[ . 1 . 2]" 1
562 1 27 GLU HA 1 61 LEU MD2 . . 5.500 5.478 5.409 5.505 0.005 15 0 "[ . 1 . 2]" 1
563 1 27 GLU HA 1 62 SER H . . 4.540 4.099 3.891 4.332 . 0 0 "[ . 1 . 2]" 1
564 1 27 GLU HA 1 62 SER QB . . 4.770 3.925 3.653 4.302 . 0 0 "[ . 1 . 2]" 1
565 1 27 GLU QB 1 60 THR MG . . 4.430 4.043 3.654 4.311 . 0 0 "[ . 1 . 2]" 1
566 1 27 GLU QG 1 28 ASP H . . 4.570 2.580 1.977 4.079 . 0 0 "[ . 1 . 2]" 1
567 1 27 GLU QG 1 60 THR MG . . 5.500 5.005 4.226 5.354 . 0 0 "[ . 1 . 2]" 1
568 1 28 ASP H 1 28 ASP HB2 . . 3.590 2.351 2.216 3.558 . 0 0 "[ . 1 . 2]" 1
569 1 28 ASP H 1 28 ASP QB . . 3.000 2.262 2.193 2.377 . 0 0 "[ . 1 . 2]" 1
570 1 28 ASP H 1 28 ASP HB3 . . 3.590 3.485 2.312 3.582 . 0 0 "[ . 1 . 2]" 1
571 1 28 ASP H 1 29 THR H . . 4.790 4.622 4.543 4.648 . 0 0 "[ . 1 . 2]" 1
572 1 28 ASP H 1 61 LEU MD1 . . 4.350 3.939 3.772 4.154 . 0 0 "[ . 1 . 2]" 1
573 1 28 ASP H 1 61 LEU MD2 . . 4.840 4.554 4.237 4.680 . 0 0 "[ . 1 . 2]" 1
574 1 28 ASP H 1 61 LEU HG . . 4.940 3.340 2.920 3.555 . 0 0 "[ . 1 . 2]" 1
575 1 28 ASP QB 1 29 THR H . . 3.410 2.284 1.966 2.593 . 0 0 "[ . 1 . 2]" 1
576 1 28 ASP QB 1 32 THR HB . . 3.710 3.469 3.001 3.705 . 0 0 "[ . 1 . 2]" 1
577 1 28 ASP QB 1 32 THR MG . . 3.810 3.325 2.883 3.603 . 0 0 "[ . 1 . 2]" 1
578 1 28 ASP QB 1 33 LEU H . . 4.520 4.266 4.074 4.531 0.011 15 0 "[ . 1 . 2]" 1
579 1 28 ASP QB 1 33 LEU MD1 . . 4.810 3.523 3.339 3.798 . 0 0 "[ . 1 . 2]" 1
580 1 28 ASP QB 1 61 LEU MD1 . . 3.420 2.520 2.213 3.542 0.122 15 0 "[ . 1 . 2]" 1
581 1 28 ASP QB 1 61 LEU MD2 . . 4.270 3.271 3.078 4.091 . 0 0 "[ . 1 . 2]" 1
582 1 28 ASP QB 1 61 LEU HG . . 3.900 2.768 2.423 3.683 . 0 0 "[ . 1 . 2]" 1
583 1 28 ASP HB2 1 29 THR H . . 4.200 3.651 2.628 3.926 . 0 0 "[ . 1 . 2]" 1
584 1 28 ASP HB2 1 61 LEU MD1 . . 3.980 2.638 2.285 4.096 0.116 15 0 "[ . 1 . 2]" 1
585 1 28 ASP HB2 1 61 LEU MD2 . . 4.860 3.726 3.454 4.430 . 0 0 "[ . 1 . 2]" 1
586 1 28 ASP HB2 1 61 LEU HG . . 4.530 2.883 2.471 4.302 . 0 0 "[ . 1 . 2]" 1
587 1 28 ASP HB3 1 29 THR H . . 4.200 2.373 1.978 3.974 . 0 0 "[ . 1 . 2]" 1
588 1 28 ASP HB3 1 61 LEU MD1 . . 3.980 3.269 2.965 3.877 . 0 0 "[ . 1 . 2]" 1
589 1 28 ASP HB3 1 61 LEU MD2 . . 4.860 3.636 3.359 4.808 . 0 0 "[ . 1 . 2]" 1
590 1 28 ASP HB3 1 61 LEU HG . . 4.530 3.678 3.327 4.003 . 0 0 "[ . 1 . 2]" 1
591 1 29 THR H 1 29 THR MG . . 3.330 2.907 2.448 3.196 . 0 0 "[ . 1 . 2]" 1
592 1 29 THR H 1 32 THR H . . 4.020 3.867 3.598 3.984 . 0 0 "[ . 1 . 2]" 1
593 1 29 THR H 1 32 THR HB . . 3.520 2.527 2.248 2.619 . 0 0 "[ . 1 . 2]" 1
594 1 29 THR H 1 32 THR MG . . 4.160 3.543 3.387 3.633 . 0 0 "[ . 1 . 2]" 1
595 1 29 THR H 1 33 LEU H . . 5.190 4.217 3.896 4.399 . 0 0 "[ . 1 . 2]" 1
596 1 29 THR H 1 61 LEU MD1 . . 5.190 4.690 4.340 5.133 . 0 0 "[ . 1 . 2]" 1
597 1 29 THR HA 1 29 THR MG . . 3.150 2.235 2.083 2.460 . 0 0 "[ . 1 . 2]" 1
598 1 29 THR HA 1 30 VAL H . . 2.960 2.365 2.270 2.412 . 0 0 "[ . 1 . 2]" 1
599 1 29 THR HA 1 30 VAL HA . . 4.790 4.305 4.299 4.310 . 0 0 "[ . 1 . 2]" 1
600 1 29 THR HA 1 30 VAL HB . . 5.070 4.847 4.769 4.921 . 0 0 "[ . 1 . 2]" 1
601 1 29 THR HA 1 30 VAL MG2 . . 4.190 3.775 3.638 3.863 . 0 0 "[ . 1 . 2]" 1
602 1 29 THR HA 1 31 GLY H . . 4.530 4.392 4.215 4.486 . 0 0 "[ . 1 . 2]" 1
603 1 29 THR HA 1 60 THR H . . 5.010 4.647 4.399 4.795 . 0 0 "[ . 1 . 2]" 1
604 1 29 THR HA 1 60 THR MG . . 3.970 3.705 3.436 3.864 . 0 0 "[ . 1 . 2]" 1
605 1 29 THR HA 1 61 LEU H . . 3.670 3.543 3.356 3.679 0.009 15 0 "[ . 1 . 2]" 1
606 1 29 THR HA 1 61 LEU MD1 . . 5.290 4.768 4.525 5.019 . 0 0 "[ . 1 . 2]" 1
607 1 29 THR HA 1 61 LEU MD2 . . 4.490 2.468 2.232 2.829 . 0 0 "[ . 1 . 2]" 1
608 1 29 THR HA 1 61 LEU HG . . 4.470 4.161 3.934 4.318 . 0 0 "[ . 1 . 2]" 1
609 1 29 THR HA 1 64 LEU MD1 . . 5.500 4.809 4.490 5.202 . 0 0 "[ . 1 . 2]" 1
610 1 29 THR MG 1 30 VAL H . . 3.910 3.602 3.369 3.827 . 0 0 "[ . 1 . 2]" 1
611 1 29 THR MG 1 31 GLY H . . 4.590 4.379 4.174 4.528 . 0 0 "[ . 1 . 2]" 1
612 1 29 THR MG 1 58 ALA H . . 5.280 4.806 4.508 5.170 . 0 0 "[ . 1 . 2]" 1
613 1 29 THR MG 1 58 ALA HA . . 3.320 2.321 2.016 2.692 . 0 0 "[ . 1 . 2]" 1
614 1 29 THR MG 1 58 ALA MB . . 3.880 3.257 2.973 3.727 . 0 0 "[ . 1 . 2]" 1
615 1 29 THR MG 1 59 ARG H . . 4.820 4.306 3.491 4.652 . 0 0 "[ . 1 . 2]" 1
616 1 29 THR MG 1 60 THR H . . 4.430 4.007 3.586 4.304 . 0 0 "[ . 1 . 2]" 1
617 1 29 THR MG 1 60 THR MG . . 2.940 2.630 2.362 2.923 . 0 0 "[ . 1 . 2]" 1
618 1 29 THR MG 1 61 LEU H . . 4.960 4.535 4.330 4.687 . 0 0 "[ . 1 . 2]" 1
619 1 30 VAL H 1 30 VAL HB . . 3.040 2.485 2.381 2.557 . 0 0 "[ . 1 . 2]" 1
620 1 30 VAL H 1 30 VAL MG1 . . 3.950 3.755 3.728 3.764 . 0 0 "[ . 1 . 2]" 1
621 1 30 VAL H 1 30 VAL MG2 . . 2.990 2.300 2.111 2.413 . 0 0 "[ . 1 . 2]" 1
622 1 30 VAL H 1 31 GLY H . . 3.480 2.702 2.652 2.778 . 0 0 "[ . 1 . 2]" 1
623 1 30 VAL H 1 57 PRO HA . . 4.500 3.906 3.654 4.137 . 0 0 "[ . 1 . 2]" 1
624 1 30 VAL H 1 58 ALA MB . . 5.500 5.312 5.087 5.457 . 0 0 "[ . 1 . 2]" 1
625 1 30 VAL H 1 61 LEU MD1 . . 5.500 5.320 5.170 5.488 . 0 0 "[ . 1 . 2]" 1
626 1 30 VAL H 1 61 LEU MD2 . . 4.220 3.108 2.945 3.227 . 0 0 "[ . 1 . 2]" 1
627 1 30 VAL H 1 64 LEU MD1 . . 4.500 3.978 3.786 4.292 . 0 0 "[ . 1 . 2]" 1
628 1 30 VAL HA 1 30 VAL MG1 . . 3.040 2.414 2.323 2.507 . 0 0 "[ . 1 . 2]" 1
629 1 30 VAL HA 1 30 VAL MG2 . . 3.220 2.300 2.229 2.393 . 0 0 "[ . 1 . 2]" 1
630 1 30 VAL HA 1 33 LEU H . . 4.270 3.486 3.415 3.602 . 0 0 "[ . 1 . 2]" 1
631 1 30 VAL HA 1 33 LEU HB2 . . 3.880 3.115 2.950 3.284 . 0 0 "[ . 1 . 2]" 1
632 1 30 VAL HA 1 33 LEU QB . . 3.210 2.795 2.644 2.848 . 0 0 "[ . 1 . 2]" 1
633 1 30 VAL HA 1 33 LEU HB3 . . 3.880 3.166 2.988 3.251 . 0 0 "[ . 1 . 2]" 1
634 1 30 VAL HA 1 33 LEU MD1 . . 5.040 4.731 4.646 4.848 . 0 0 "[ . 1 . 2]" 1
635 1 30 VAL HA 1 33 LEU MD2 . . 3.800 3.475 3.266 3.591 . 0 0 "[ . 1 . 2]" 1
636 1 30 VAL HA 1 33 LEU HG . . 5.500 5.435 5.185 5.530 0.030 18 0 "[ . 1 . 2]" 1
637 1 30 VAL HA 1 34 LYS H . . 4.460 4.310 4.131 4.455 . 0 0 "[ . 1 . 2]" 1
638 1 30 VAL HA 1 57 PRO HA . . 5.380 4.818 4.703 4.913 . 0 0 "[ . 1 . 2]" 1
639 1 30 VAL HA 1 61 LEU MD1 . . 4.840 4.312 4.151 4.488 . 0 0 "[ . 1 . 2]" 1
640 1 30 VAL HA 1 61 LEU MD2 . . 3.560 2.885 2.724 2.981 . 0 0 "[ . 1 . 2]" 1
641 1 30 VAL HA 1 66 ILE MD . . 5.230 4.753 4.589 4.962 . 0 0 "[ . 1 . 2]" 1
642 1 30 VAL HB 1 31 GLY H . . 3.920 2.616 2.558 2.772 . 0 0 "[ . 1 . 2]" 1
643 1 30 VAL HB 1 54 LEU HA . . 5.500 5.379 5.141 5.505 0.005 7 0 "[ . 1 . 2]" 1
644 1 30 VAL HB 1 57 PRO HA . . 3.040 2.293 2.184 2.356 . 0 0 "[ . 1 . 2]" 1
645 1 30 VAL HB 1 59 ARG H . . 5.110 3.694 3.193 4.188 . 0 0 "[ . 1 . 2]" 1
646 1 30 VAL HB 1 59 ARG HB3 . . 5.060 5.046 4.989 5.066 0.006 18 0 "[ . 1 . 2]" 1
647 1 30 VAL MG1 1 31 GLY H . . 3.960 3.379 3.128 3.507 . 0 0 "[ . 1 . 2]" 1
648 1 30 VAL MG1 1 31 GLY HA2 . . 4.460 3.430 3.104 3.554 . 0 0 "[ . 1 . 2]" 1
649 1 30 VAL MG1 1 31 GLY HA3 . . 4.650 4.397 4.110 4.530 . 0 0 "[ . 1 . 2]" 1
650 1 30 VAL MG1 1 34 LYS H . . 4.480 3.925 3.758 4.235 . 0 0 "[ . 1 . 2]" 1
651 1 30 VAL MG1 1 34 LYS QD . . 3.530 2.148 1.865 2.667 . 0 0 "[ . 1 . 2]" 1
652 1 30 VAL MG1 1 34 LYS HE2 . . 4.650 4.238 3.378 4.649 . 0 0 "[ . 1 . 2]" 1
653 1 30 VAL MG1 1 34 LYS QE . . 3.900 3.432 2.543 3.899 . 0 0 "[ . 1 . 2]" 1
654 1 30 VAL MG1 1 34 LYS HE3 . . 4.650 3.743 2.580 4.632 . 0 0 "[ . 1 . 2]" 1
655 1 30 VAL MG1 1 54 LEU HA . . 4.450 3.937 3.685 4.257 . 0 0 "[ . 1 . 2]" 1
656 1 30 VAL MG1 1 54 LEU HB3 . . 3.910 2.137 1.913 2.670 . 0 0 "[ . 1 . 2]" 1
657 1 30 VAL MG1 1 57 PRO HA . . 3.270 2.968 2.660 3.134 . 0 0 "[ . 1 . 2]" 1
658 1 30 VAL MG1 1 57 PRO HB3 . . 4.390 4.158 3.809 4.394 0.004 17 0 "[ . 1 . 2]" 1
659 1 30 VAL MG1 1 58 ALA H . . 5.500 5.392 5.177 5.511 0.011 16 0 "[ . 1 . 2]" 1
660 1 30 VAL MG1 1 59 ARG H . . 5.340 5.002 4.632 5.343 0.003 7 0 "[ . 1 . 2]" 1
661 1 30 VAL MG2 1 31 GLY H . . 4.320 3.893 3.831 3.988 . 0 0 "[ . 1 . 2]" 1
662 1 30 VAL MG2 1 33 LEU H . . 5.500 5.209 5.169 5.292 . 0 0 "[ . 1 . 2]" 1
663 1 30 VAL MG2 1 54 LEU HA . . 4.560 3.693 3.373 3.974 . 0 0 "[ . 1 . 2]" 1
664 1 30 VAL MG2 1 54 LEU HB2 . . 3.860 3.245 2.920 3.490 . 0 0 "[ . 1 . 2]" 1
665 1 30 VAL MG2 1 54 LEU HB3 . . 3.330 2.006 1.894 2.201 . 0 0 "[ . 1 . 2]" 1
666 1 30 VAL MG2 1 57 PRO HA . . 3.940 3.905 3.827 3.950 0.010 14 0 "[ . 1 . 2]" 1
667 1 30 VAL MG2 1 59 ARG H . . 4.340 3.478 2.891 3.868 . 0 0 "[ . 1 . 2]" 1
668 1 30 VAL MG2 1 59 ARG HB2 . . 3.640 2.541 2.142 2.800 . 0 0 "[ . 1 . 2]" 1
669 1 30 VAL MG2 1 59 ARG HB3 . . 3.730 3.126 2.948 3.390 . 0 0 "[ . 1 . 2]" 1
670 1 30 VAL MG2 1 61 LEU H . . 5.110 4.566 4.331 4.803 . 0 0 "[ . 1 . 2]" 1
671 1 30 VAL MG2 1 61 LEU HA . . 4.940 3.868 3.645 4.179 . 0 0 "[ . 1 . 2]" 1
672 1 30 VAL MG2 1 61 LEU MD2 . . 3.340 2.509 2.280 2.800 . 0 0 "[ . 1 . 2]" 1
673 1 30 VAL MG2 1 64 LEU MD1 . . 2.860 1.879 1.721 2.160 . 0 0 "[ . 1 . 2]" 1
674 1 30 VAL MG2 1 66 ILE MD . . 4.310 3.274 3.076 3.489 . 0 0 "[ . 1 . 2]" 1
675 1 31 GLY H 1 32 THR H . . 3.530 2.728 2.645 2.779 . 0 0 "[ . 1 . 2]" 1
676 1 31 GLY H 1 57 PRO HA . . 3.340 2.368 2.031 2.623 . 0 0 "[ . 1 . 2]" 1
677 1 31 GLY H 1 57 PRO HB2 . . 4.240 3.244 3.030 3.395 . 0 0 "[ . 1 . 2]" 1
678 1 31 GLY H 1 57 PRO HB3 . . 4.220 3.653 3.326 3.932 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLY H 1 57 PRO QG . . 4.950 4.751 4.553 4.903 . 0 0 "[ . 1 . 2]" 1
680 1 31 GLY HA2 1 32 THR HA . . 5.010 4.745 4.734 4.760 . 0 0 "[ . 1 . 2]" 1
681 1 31 GLY HA2 1 34 LYS H . . 4.540 3.787 3.671 3.851 . 0 0 "[ . 1 . 2]" 1
682 1 31 GLY HA2 1 34 LYS HB2 . . 4.000 3.363 3.111 3.590 . 0 0 "[ . 1 . 2]" 1
683 1 31 GLY HA2 1 34 LYS HB3 . . 5.130 4.948 4.700 5.132 0.002 17 0 "[ . 1 . 2]" 1
684 1 31 GLY HA2 1 34 LYS QD . . 4.580 2.306 1.988 2.574 . 0 0 "[ . 1 . 2]" 1
685 1 31 GLY HA2 1 57 PRO HA . . 4.190 3.392 3.084 3.672 . 0 0 "[ . 1 . 2]" 1
686 1 31 GLY HA2 1 57 PRO HB2 . . 3.930 3.443 3.106 3.740 . 0 0 "[ . 1 . 2]" 1
687 1 31 GLY HA2 1 57 PRO HB3 . . 4.030 2.999 2.689 3.368 . 0 0 "[ . 1 . 2]" 1
688 1 31 GLY HA2 1 57 PRO QG . . 5.260 4.791 4.530 5.107 . 0 0 "[ . 1 . 2]" 1
689 1 31 GLY HA3 1 32 THR H . . 3.480 2.839 2.775 2.890 . 0 0 "[ . 1 . 2]" 1
690 1 31 GLY HA3 1 34 LYS HB2 . . 5.090 4.860 4.633 5.051 . 0 0 "[ . 1 . 2]" 1
691 1 31 GLY HA3 1 57 PRO HA . . 3.880 3.278 2.978 3.592 . 0 0 "[ . 1 . 2]" 1
692 1 31 GLY HA3 1 57 PRO HB2 . . 3.480 2.310 1.995 2.758 . 0 0 "[ . 1 . 2]" 1
693 1 31 GLY HA3 1 57 PRO HB3 . . 3.720 2.860 2.459 3.284 . 0 0 "[ . 1 . 2]" 1
694 1 32 THR H 1 32 THR HB . . 3.070 2.316 2.293 2.329 . 0 0 "[ . 1 . 2]" 1
695 1 32 THR H 1 32 THR MG . . 3.790 3.700 3.683 3.708 . 0 0 "[ . 1 . 2]" 1
696 1 32 THR HA 1 32 THR MG . . 3.010 2.526 2.499 2.554 . 0 0 "[ . 1 . 2]" 1
697 1 32 THR HA 1 36 LYS H . . 4.460 3.950 3.708 4.016 . 0 0 "[ . 1 . 2]" 1
698 1 32 THR HB 1 33 LEU H . . 3.530 2.749 2.625 2.945 . 0 0 "[ . 1 . 2]" 1
699 1 32 THR MG 1 33 LEU H . . 4.070 3.129 3.029 3.339 . 0 0 "[ . 1 . 2]" 1
700 1 32 THR MG 1 33 LEU HA . . 4.060 3.125 3.067 3.261 . 0 0 "[ . 1 . 2]" 1
701 1 32 THR MG 1 33 LEU MD2 . . 5.500 5.498 5.397 5.512 0.012 12 0 "[ . 1 . 2]" 1
702 1 32 THR MG 1 34 LYS H . . 5.120 4.872 4.828 5.021 . 0 0 "[ . 1 . 2]" 1
703 1 32 THR MG 1 35 SER H . . 4.760 4.594 4.452 4.699 . 0 0 "[ . 1 . 2]" 1
704 1 32 THR MG 1 35 SER QB . . 5.340 3.952 3.605 4.754 . 0 0 "[ . 1 . 2]" 1
705 1 32 THR MG 1 36 LYS H . . 4.710 3.712 3.658 3.792 . 0 0 "[ . 1 . 2]" 1
706 1 32 THR MG 1 36 LYS HB2 . . 3.830 2.726 2.560 2.797 . 0 0 "[ . 1 . 2]" 1
707 1 32 THR MG 1 36 LYS HB3 . . 4.460 4.033 3.600 4.159 . 0 0 "[ . 1 . 2]" 1
708 1 32 THR MG 1 36 LYS QG . . 3.810 3.308 3.130 3.719 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU H 1 33 LEU HB2 . . 3.190 2.262 2.248 2.310 . 0 0 "[ . 1 . 2]" 1
710 1 33 LEU H 1 33 LEU HB3 . . 3.190 2.776 2.731 2.793 . 0 0 "[ . 1 . 2]" 1
711 1 33 LEU H 1 33 LEU MD1 . . 4.000 3.789 3.745 3.863 . 0 0 "[ . 1 . 2]" 1
712 1 33 LEU H 1 33 LEU MD2 . . 4.360 4.241 4.196 4.278 . 0 0 "[ . 1 . 2]" 1
713 1 33 LEU H 1 33 LEU HG . . 4.740 4.544 4.517 4.574 . 0 0 "[ . 1 . 2]" 1
714 1 33 LEU H 1 34 LYS H . . 3.290 2.793 2.667 2.823 . 0 0 "[ . 1 . 2]" 1
715 1 33 LEU H 1 34 LYS HG3 . . 4.960 4.508 4.145 4.765 . 0 0 "[ . 1 . 2]" 1
716 1 33 LEU H 1 36 LYS HB2 . . 5.160 4.615 4.434 5.171 0.011 11 0 "[ . 1 . 2]" 1
717 1 33 LEU H 1 36 LYS HB3 . . 5.500 5.304 4.957 5.486 . 0 0 "[ . 1 . 2]" 1
718 1 33 LEU H 1 61 LEU MD1 . . 5.500 4.968 4.711 5.348 . 0 0 "[ . 1 . 2]" 1
719 1 33 LEU H 1 61 LEU MD2 . . 5.500 4.403 4.159 4.687 . 0 0 "[ . 1 . 2]" 1
720 1 33 LEU HA 1 33 LEU MD1 . . 3.170 2.138 1.956 2.325 . 0 0 "[ . 1 . 2]" 1
721 1 33 LEU HA 1 33 LEU MD2 . . 3.900 3.853 3.826 3.868 . 0 0 "[ . 1 . 2]" 1
722 1 33 LEU HA 1 33 LEU HG . . 4.170 2.848 2.736 2.972 . 0 0 "[ . 1 . 2]" 1
723 1 33 LEU HA 1 36 LYS H . . 4.210 3.449 3.386 3.603 . 0 0 "[ . 1 . 2]" 1
724 1 33 LEU HA 1 36 LYS HB2 . . 4.070 2.833 2.589 3.594 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU HA 1 36 LYS HB3 . . 4.160 2.835 2.742 3.053 . 0 0 "[ . 1 . 2]" 1
726 1 33 LEU HA 1 36 LYS QD . . 4.610 4.537 3.983 4.682 0.072 14 0 "[ . 1 . 2]" 1
727 1 33 LEU HA 1 37 TYR H . . 4.830 4.136 3.998 4.372 . 0 0 "[ . 1 . 2]" 1
728 1 33 LEU HA 1 37 TYR QD . . 4.720 3.901 3.245 4.547 . 0 0 "[ . 1 . 2]" 1
729 1 33 LEU HA 1 37 TYR QE . . 4.560 3.749 3.534 3.998 . 0 0 "[ . 1 . 2]" 1
730 1 33 LEU QB 1 34 LYS H . . 3.100 2.398 2.389 2.430 . 0 0 "[ . 1 . 2]" 1
731 1 33 LEU QB 1 37 TYR QE . . 4.840 4.220 3.965 4.483 . 0 0 "[ . 1 . 2]" 1
732 1 33 LEU QB 1 61 LEU MD2 . . 4.560 3.268 2.970 3.465 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU HB2 1 33 LEU MD2 . . 3.300 2.411 2.314 2.507 . 0 0 "[ . 1 . 2]" 1
734 1 33 LEU HB2 1 34 LYS H . . 3.770 3.609 3.601 3.646 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU HB3 1 33 LEU MD2 . . 3.300 2.312 2.250 2.384 . 0 0 "[ . 1 . 2]" 1
736 1 33 LEU HB3 1 34 LYS H . . 3.770 2.434 2.425 2.467 . 0 0 "[ . 1 . 2]" 1
737 1 33 LEU MD1 1 37 TYR QD . . 3.890 3.279 2.754 3.675 . 0 0 "[ . 1 . 2]" 1
738 1 33 LEU MD1 1 37 TYR QE . . 3.450 1.862 1.776 1.941 . 0 0 "[ . 1 . 2]" 1
739 1 33 LEU MD2 1 34 LYS H . . 4.850 4.252 4.136 4.378 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU MD2 1 37 TYR QE . . 4.280 3.276 2.707 3.889 . 0 0 "[ . 1 . 2]" 1
741 1 33 LEU MD2 1 66 ILE MD . . 4.510 3.538 3.090 3.857 . 0 0 "[ . 1 . 2]" 1
742 1 33 LEU HG 1 34 LYS H . . 4.500 4.143 4.112 4.176 . 0 0 "[ . 1 . 2]" 1
743 1 33 LEU HG 1 37 TYR QD . . 4.150 2.519 2.130 3.029 . 0 0 "[ . 1 . 2]" 1
744 1 33 LEU HG 1 37 TYR QE . . 4.590 2.444 1.997 3.080 . 0 0 "[ . 1 . 2]" 1
745 1 34 LYS H 1 34 LYS HB2 . . 3.170 2.541 2.448 2.662 . 0 0 "[ . 1 . 2]" 1
746 1 34 LYS H 1 34 LYS HB3 . . 3.790 3.588 3.584 3.598 . 0 0 "[ . 1 . 2]" 1
747 1 34 LYS H 1 34 LYS QD . . 4.710 3.208 3.120 3.394 . 0 0 "[ . 1 . 2]" 1
748 1 34 LYS H 1 34 LYS HG2 . . 3.980 3.612 3.446 3.756 . 0 0 "[ . 1 . 2]" 1
749 1 34 LYS H 1 34 LYS HG3 . . 3.430 2.131 1.915 2.312 . 0 0 "[ . 1 . 2]" 1
750 1 34 LYS H 1 35 SER H . . 3.470 2.721 2.560 2.807 . 0 0 "[ . 1 . 2]" 1
751 1 34 LYS H 1 47 LEU QD . . 5.120 3.665 3.385 4.018 . 0 0 "[ . 1 . 2]" 1
752 1 34 LYS HA 1 34 LYS HG2 . . 3.300 2.870 2.721 2.977 . 0 0 "[ . 1 . 2]" 1
753 1 34 LYS HA 1 34 LYS HG3 . . 3.490 2.790 2.672 2.925 . 0 0 "[ . 1 . 2]" 1
754 1 34 LYS HA 1 36 LYS H . . 4.970 4.213 4.162 4.272 . 0 0 "[ . 1 . 2]" 1
755 1 34 LYS HA 1 38 PHE H . . 4.450 3.184 3.120 3.463 . 0 0 "[ . 1 . 2]" 1
756 1 34 LYS HA 1 38 PHE HA . . 5.500 5.540 5.521 5.582 0.082 17 0 "[ . 1 . 2]" 1
757 1 34 LYS HA 1 38 PHE QD . . 2.960 2.398 2.092 2.695 . 0 0 "[ . 1 . 2]" 1
758 1 34 LYS HA 1 38 PHE QE . . 4.460 3.934 3.325 4.233 . 0 0 "[ . 1 . 2]" 1
759 1 34 LYS HA 1 42 GLU QG . . 4.720 3.808 3.543 4.128 . 0 0 "[ . 1 . 2]" 1
760 1 34 LYS HA 1 47 LEU MD1 . . 5.110 3.672 3.260 3.960 . 0 0 "[ . 1 . 2]" 1
761 1 34 LYS HA 1 47 LEU QD . . 4.330 3.421 3.143 3.551 . 0 0 "[ . 1 . 2]" 1
762 1 34 LYS HA 1 47 LEU MD2 . . 5.110 4.105 3.820 4.323 . 0 0 "[ . 1 . 2]" 1
763 1 34 LYS HB2 1 34 LYS HD2 . . 3.830 3.264 2.671 3.516 . 0 0 "[ . 1 . 2]" 1
764 1 34 LYS HB2 1 34 LYS HD3 . . 3.830 2.185 2.089 2.442 . 0 0 "[ . 1 . 2]" 1
765 1 34 LYS HB2 1 34 LYS HE2 . . 4.620 3.574 2.845 4.603 . 0 0 "[ . 1 . 2]" 1
766 1 34 LYS HB2 1 34 LYS QE . . 3.980 3.254 2.657 3.977 . 0 0 "[ . 1 . 2]" 1
767 1 34 LYS HB2 1 34 LYS HE3 . . 4.620 4.046 2.753 4.513 . 0 0 "[ . 1 . 2]" 1
768 1 34 LYS HB2 1 35 SER H . . 3.510 2.510 2.404 2.657 . 0 0 "[ . 1 . 2]" 1
769 1 34 LYS HB2 1 35 SER HA . . 4.700 4.273 4.133 4.389 . 0 0 "[ . 1 . 2]" 1
770 1 34 LYS HB2 1 42 GLU HA . . 4.490 3.757 3.495 4.049 . 0 0 "[ . 1 . 2]" 1
771 1 34 LYS HB2 1 42 GLU QG . . 3.350 2.304 1.996 2.660 . 0 0 "[ . 1 . 2]" 1
772 1 34 LYS HB2 1 47 LEU MD1 . . 5.500 4.502 4.054 4.854 . 0 0 "[ . 1 . 2]" 1
773 1 34 LYS HB2 1 47 LEU MD2 . . 5.500 5.346 4.851 5.507 0.007 12 0 "[ . 1 . 2]" 1
774 1 34 LYS HB3 1 34 LYS QE . . 4.560 2.800 2.261 3.741 . 0 0 "[ . 1 . 2]" 1
775 1 34 LYS HB3 1 35 SER H . . 3.890 3.599 3.428 3.860 . 0 0 "[ . 1 . 2]" 1
776 1 34 LYS HB3 1 35 SER HA . . 4.850 4.434 4.287 4.652 . 0 0 "[ . 1 . 2]" 1
777 1 34 LYS HB3 1 38 PHE QD . . 4.280 3.300 2.454 3.704 . 0 0 "[ . 1 . 2]" 1
778 1 34 LYS HB3 1 42 GLU H . . 5.050 4.542 3.786 5.051 0.001 2 0 "[ . 1 . 2]" 1
779 1 34 LYS HB3 1 42 GLU HA . . 3.650 2.542 2.304 2.889 . 0 0 "[ . 1 . 2]" 1
780 1 34 LYS HB3 1 42 GLU QB . . 4.190 2.835 2.204 3.653 . 0 0 "[ . 1 . 2]" 1
781 1 34 LYS HB3 1 42 GLU HG2 . . 4.040 2.661 1.999 3.864 . 0 0 "[ . 1 . 2]" 1
782 1 34 LYS HB3 1 42 GLU HG3 . . 4.040 2.951 2.045 3.788 . 0 0 "[ . 1 . 2]" 1
783 1 34 LYS QD 1 35 SER H . . 4.740 4.204 4.038 4.391 . 0 0 "[ . 1 . 2]" 1
784 1 34 LYS QD 1 42 GLU HA . . 4.740 4.067 3.261 4.553 . 0 0 "[ . 1 . 2]" 1
785 1 34 LYS QE 1 34 LYS HG2 . . 3.430 2.259 2.112 2.514 . 0 0 "[ . 1 . 2]" 1
786 1 34 LYS QE 1 34 LYS HG3 . . 3.700 3.178 2.673 3.403 . 0 0 "[ . 1 . 2]" 1
787 1 34 LYS QE 1 42 GLU HA . . 4.130 2.980 2.218 4.135 0.005 9 0 "[ . 1 . 2]" 1
788 1 34 LYS QE 1 42 GLU QB . . 4.540 2.955 1.982 4.048 . 0 0 "[ . 1 . 2]" 1
789 1 34 LYS QE 1 45 MET H . . 5.340 4.762 4.085 5.369 0.029 17 0 "[ . 1 . 2]" 1
790 1 34 LYS QE 1 47 LEU QD . . 3.640 2.936 1.896 3.647 0.007 14 0 "[ . 1 . 2]" 1
791 1 34 LYS HE2 1 34 LYS HG2 . . 3.940 2.794 2.206 3.683 . 0 0 "[ . 1 . 2]" 1
792 1 34 LYS HE2 1 47 LEU MD1 . . 5.120 4.155 3.129 5.128 0.008 14 0 "[ . 1 . 2]" 1
793 1 34 LYS HE2 1 47 LEU MD2 . . 5.120 4.744 3.586 5.127 0.007 16 0 "[ . 1 . 2]" 1
794 1 34 LYS HE3 1 34 LYS HG2 . . 3.940 2.571 2.131 3.503 . 0 0 "[ . 1 . 2]" 1
795 1 34 LYS HE3 1 47 LEU MD1 . . 5.120 3.391 1.914 4.626 . 0 0 "[ . 1 . 2]" 1
796 1 34 LYS HE3 1 47 LEU MD2 . . 5.120 4.095 3.566 4.928 . 0 0 "[ . 1 . 2]" 1
797 1 34 LYS HG2 1 38 PHE HB2 . . 5.070 4.639 4.336 5.079 0.009 11 0 "[ . 1 . 2]" 1
798 1 34 LYS HG2 1 38 PHE QD . . 4.030 3.471 3.252 3.725 . 0 0 "[ . 1 . 2]" 1
799 1 34 LYS HG2 1 42 GLU HA . . 4.880 3.972 3.256 4.704 . 0 0 "[ . 1 . 2]" 1
800 1 34 LYS HG2 1 42 GLU QB . . 5.340 4.283 3.529 5.128 . 0 0 "[ . 1 . 2]" 1
801 1 34 LYS HG2 1 47 LEU MD1 . . 4.100 2.488 1.780 3.299 . 0 0 "[ . 1 . 2]" 1
802 1 34 LYS HG2 1 47 LEU QD . . 3.540 2.324 1.771 2.764 . 0 0 "[ . 1 . 2]" 1
803 1 34 LYS HG2 1 47 LEU MD2 . . 4.100 3.055 2.657 3.539 . 0 0 "[ . 1 . 2]" 1
804 1 34 LYS HG3 1 35 SER H . . 4.410 4.262 4.068 4.410 . 0 0 "[ . 1 . 2]" 1
805 1 34 LYS HG3 1 38 PHE QD . . 4.810 4.374 4.158 4.656 . 0 0 "[ . 1 . 2]" 1
806 1 35 SER H 1 35 SER HB2 . . 3.710 2.733 2.331 3.601 . 0 0 "[ . 1 . 2]" 1
807 1 35 SER H 1 35 SER QB . . 3.050 2.311 2.220 2.578 . 0 0 "[ . 1 . 2]" 1
808 1 35 SER H 1 35 SER HB3 . . 3.710 2.584 2.392 2.791 . 0 0 "[ . 1 . 2]" 1
809 1 35 SER H 1 36 LYS H . . 3.180 2.510 2.492 2.520 . 0 0 "[ . 1 . 2]" 1
810 1 35 SER H 1 36 LYS HA . . 5.500 5.120 5.115 5.134 . 0 0 "[ . 1 . 2]" 1
811 1 35 SER H 1 36 LYS HB2 . . 5.490 4.557 4.469 4.875 . 0 0 "[ . 1 . 2]" 1
812 1 35 SER H 1 42 GLU HA . . 5.500 5.511 5.499 5.542 0.042 14 0 "[ . 1 . 2]" 1
813 1 35 SER H 1 42 GLU HG2 . . 4.540 2.843 2.581 3.021 . 0 0 "[ . 1 . 2]" 1
814 1 35 SER H 1 42 GLU QG . . 3.940 2.772 2.516 2.902 . 0 0 "[ . 1 . 2]" 1
815 1 35 SER H 1 42 GLU HG3 . . 4.540 3.922 3.473 4.540 0.000 13 0 "[ . 1 . 2]" 1
816 1 35 SER HA 1 42 GLU HG2 . . 3.660 2.830 2.525 3.036 . 0 0 "[ . 1 . 2]" 1
817 1 35 SER HA 1 42 GLU HG3 . . 3.660 2.832 2.393 3.142 . 0 0 "[ . 1 . 2]" 1
818 1 35 SER QB 1 36 LYS H . . 3.700 2.993 2.768 3.566 . 0 0 "[ . 1 . 2]" 1
819 1 35 SER QB 1 42 GLU QG . . 4.590 2.734 2.179 3.084 . 0 0 "[ . 1 . 2]" 1
820 1 35 SER HB2 1 36 LYS H . . 4.250 3.985 3.841 4.130 . 0 0 "[ . 1 . 2]" 1
821 1 35 SER HB3 1 36 LYS H . . 4.250 3.142 2.828 4.085 . 0 0 "[ . 1 . 2]" 1
822 1 36 LYS H 1 36 LYS HB2 . . 3.270 2.314 2.222 2.624 . 0 0 "[ . 1 . 2]" 1
823 1 36 LYS H 1 36 LYS HB3 . . 3.130 2.771 2.449 2.877 . 0 0 "[ . 1 . 2]" 1
824 1 36 LYS H 1 36 LYS QE . . 5.500 5.232 4.544 5.641 0.141 19 0 "[ . 1 . 2]" 1
825 1 36 LYS H 1 36 LYS QG . . 4.630 3.894 3.842 4.041 . 0 0 "[ . 1 . 2]" 1
826 1 36 LYS H 1 37 TYR H . . 3.330 2.686 2.617 2.717 . 0 0 "[ . 1 . 2]" 1
827 1 36 LYS HA 1 36 LYS HG2 . . 3.770 2.253 2.179 2.516 . 0 0 "[ . 1 . 2]" 1
828 1 36 LYS HA 1 36 LYS QG . . 3.260 2.227 2.156 2.478 . 0 0 "[ . 1 . 2]" 1
829 1 36 LYS HA 1 36 LYS HG3 . . 3.770 3.503 3.445 3.719 . 0 0 "[ . 1 . 2]" 1
830 1 36 LYS HA 1 38 PHE H . . 5.500 5.052 4.454 5.171 . 0 0 "[ . 1 . 2]" 1
831 1 36 LYS HB2 1 37 TYR H . . 3.840 3.585 3.495 3.836 . 0 0 "[ . 1 . 2]" 1
832 1 36 LYS HB2 1 37 TYR QD . . 5.120 4.816 4.551 5.120 0.000 11 0 "[ . 1 . 2]" 1
833 1 36 LYS HB2 1 37 TYR QE . . 5.300 5.001 4.703 5.315 0.015 11 0 "[ . 1 . 2]" 1
834 1 36 LYS HB2 1 38 PHE H . . 5.500 5.538 5.496 5.603 0.103 13 0 "[ . 1 . 2]" 1
835 1 36 LYS HB3 1 37 TYR H . . 3.760 2.449 2.407 2.479 . 0 0 "[ . 1 . 2]" 1
836 1 36 LYS HB3 1 37 TYR HA . . 4.840 4.236 4.166 4.480 . 0 0 "[ . 1 . 2]" 1
837 1 36 LYS HB3 1 37 TYR QD . . 4.480 3.391 3.143 3.549 . 0 0 "[ . 1 . 2]" 1
838 1 36 LYS HB3 1 37 TYR QE . . 4.560 3.765 3.439 4.002 . 0 0 "[ . 1 . 2]" 1
839 1 36 LYS HB3 1 38 PHE H . . 4.860 4.635 4.506 4.697 . 0 0 "[ . 1 . 2]" 1
840 1 36 LYS QD 1 37 TYR H . . 4.220 3.378 2.665 3.605 . 0 0 "[ . 1 . 2]" 1
841 1 36 LYS QD 1 37 TYR HA . . 5.500 3.284 2.695 3.514 . 0 0 "[ . 1 . 2]" 1
842 1 36 LYS QD 1 37 TYR QD . . 4.220 2.898 2.121 3.505 . 0 0 "[ . 1 . 2]" 1
843 1 36 LYS QD 1 37 TYR QE . . 3.530 2.861 1.948 3.541 0.011 8 0 "[ . 1 . 2]" 1
844 1 36 LYS QD 1 38 PHE H . . 5.500 5.260 4.495 5.526 0.026 6 0 "[ . 1 . 2]" 1
845 1 36 LYS QE 1 36 LYS HG2 . . 3.470 2.895 2.055 3.512 0.042 5 0 "[ . 1 . 2]" 1
846 1 36 LYS QE 1 36 LYS HG3 . . 3.470 2.671 2.054 3.363 . 0 0 "[ . 1 . 2]" 1
847 1 36 LYS QE 1 37 TYR HB3 . . 5.500 5.322 4.533 5.532 0.032 16 0 "[ . 1 . 2]" 1
848 1 36 LYS QE 1 37 TYR QE . . 4.170 2.639 2.130 3.832 . 0 0 "[ . 1 . 2]" 1
849 1 36 LYS QG 1 37 TYR H . . 4.570 4.260 4.011 4.349 . 0 0 "[ . 1 . 2]" 1
850 1 36 LYS QG 1 37 TYR HA . . 5.220 4.952 4.404 5.220 . 6 0 "[ . 1 . 2]" 1
851 1 36 LYS QG 1 37 TYR QD . . 4.900 4.620 4.231 4.840 . 0 0 "[ . 1 . 2]" 1
852 1 36 LYS QG 1 37 TYR QE . . 5.020 4.322 3.555 4.664 . 0 0 "[ . 1 . 2]" 1
853 1 37 TYR H 1 37 TYR HB2 . . 3.200 2.585 2.421 2.762 . 0 0 "[ . 1 . 2]" 1
854 1 37 TYR H 1 37 TYR HB3 . . 3.840 3.679 3.628 3.698 . 0 0 "[ . 1 . 2]" 1
855 1 37 TYR H 1 37 TYR QD . . 3.440 3.008 2.777 3.209 . 0 0 "[ . 1 . 2]" 1
856 1 37 TYR H 1 37 TYR QE . . 4.630 4.590 4.375 4.707 0.077 16 0 "[ . 1 . 2]" 1
857 1 37 TYR H 1 38 PHE H . . 2.960 2.218 2.182 2.242 . 0 0 "[ . 1 . 2]" 1
858 1 37 TYR HA 1 37 TYR QD . . 3.300 2.528 2.329 2.678 . 0 0 "[ . 1 . 2]" 1
859 1 37 TYR HA 1 37 TYR QE . . 4.740 4.584 4.531 4.719 . 0 0 "[ . 1 . 2]" 1
860 1 37 TYR HA 1 39 PRO QD . . 5.350 3.585 3.403 3.934 . 0 0 "[ . 1 . 2]" 1
861 1 37 TYR HB2 1 38 PHE H . . 4.000 2.613 2.522 3.083 . 0 0 "[ . 1 . 2]" 1
862 1 37 TYR HB2 1 38 PHE QD . . 3.970 3.565 3.377 3.708 . 0 0 "[ . 1 . 2]" 1
863 1 37 TYR HB2 1 38 PHE QE . . 4.440 3.652 3.403 3.841 . 0 0 "[ . 1 . 2]" 1
864 1 37 TYR HB3 1 38 PHE H . . 4.770 3.753 3.595 4.055 . 0 0 "[ . 1 . 2]" 1
865 1 38 PHE H 1 38 PHE HB2 . . 3.830 2.784 2.699 2.949 . 0 0 "[ . 1 . 2]" 1
866 1 38 PHE H 1 38 PHE HB3 . . 3.860 3.772 3.732 3.888 0.028 11 0 "[ . 1 . 2]" 1
867 1 38 PHE H 1 38 PHE QD . . 3.930 3.229 2.964 3.519 . 0 0 "[ . 1 . 2]" 1
868 1 38 PHE H 1 39 PRO HD2 . . 5.290 4.207 3.949 4.291 . 0 0 "[ . 1 . 2]" 1
869 1 38 PHE H 1 39 PRO QD . . 4.480 3.369 3.035 3.474 . 0 0 "[ . 1 . 2]" 1
870 1 38 PHE H 1 39 PRO HD3 . . 5.290 3.546 3.154 3.671 . 0 0 "[ . 1 . 2]" 1
871 1 38 PHE HA 1 38 PHE QD . . 3.340 2.473 2.377 2.717 . 0 0 "[ . 1 . 2]" 1
872 1 38 PHE HA 1 39 PRO HD2 . . 3.190 2.008 1.963 2.058 . 0 0 "[ . 1 . 2]" 1
873 1 38 PHE HA 1 39 PRO HD3 . . 3.190 2.798 2.709 2.883 . 0 0 "[ . 1 . 2]" 1
874 1 38 PHE HA 1 39 PRO HG2 . . 4.640 4.165 4.138 4.198 . 0 0 "[ . 1 . 2]" 1
875 1 38 PHE HA 1 39 PRO HG3 . . 4.640 4.573 4.509 4.638 . 0 0 "[ . 1 . 2]" 1
876 1 38 PHE HA 1 41 GLN QB . . 4.330 3.590 3.287 3.953 . 0 0 "[ . 1 . 2]" 1
877 1 38 PHE HB2 1 41 GLN QB . . 3.900 3.326 2.910 3.855 . 0 0 "[ . 1 . 2]" 1
878 1 38 PHE HB2 1 41 GLN QG . . 5.340 5.029 4.524 5.343 0.003 3 0 "[ . 1 . 2]" 1
879 1 38 PHE HB2 1 42 GLU HA . . 3.990 3.619 3.399 3.852 . 0 0 "[ . 1 . 2]" 1
880 1 38 PHE HB2 1 42 GLU QG . . 4.400 3.269 2.949 3.544 . 0 0 "[ . 1 . 2]" 1
881 1 38 PHE HB2 1 45 MET HB2 . . 4.620 3.379 3.124 3.673 . 0 0 "[ . 1 . 2]" 1
882 1 38 PHE HB2 1 45 MET HB3 . . 5.320 3.729 3.467 4.105 . 0 0 "[ . 1 . 2]" 1
883 1 38 PHE HB2 1 45 MET HG2 . . 4.610 2.675 2.180 3.077 . 0 0 "[ . 1 . 2]" 1
884 1 38 PHE HB2 1 45 MET HG3 . . 4.940 4.102 3.442 4.441 . 0 0 "[ . 1 . 2]" 1
885 1 38 PHE HB3 1 39 PRO QD . . 4.630 3.919 3.819 4.008 . 0 0 "[ . 1 . 2]" 1
886 1 38 PHE HB3 1 41 GLN HB2 . . 4.320 2.225 1.995 2.652 . 0 0 "[ . 1 . 2]" 1
887 1 38 PHE HB3 1 41 GLN QB . . 3.500 2.199 1.954 2.623 . 0 0 "[ . 1 . 2]" 1
888 1 38 PHE HB3 1 41 GLN HB3 . . 4.320 3.461 2.762 4.139 . 0 0 "[ . 1 . 2]" 1
889 1 38 PHE HB3 1 41 GLN HG2 . . 5.000 4.621 3.835 5.004 0.004 15 0 "[ . 1 . 2]" 1
890 1 38 PHE HB3 1 41 GLN HG3 . . 5.000 4.042 3.457 4.558 . 0 0 "[ . 1 . 2]" 1
891 1 38 PHE HB3 1 42 GLU HA . . 5.140 4.524 4.171 4.804 . 0 0 "[ . 1 . 2]" 1
892 1 38 PHE HB3 1 45 MET HB3 . . 5.300 4.235 3.944 4.585 . 0 0 "[ . 1 . 2]" 1
893 1 38 PHE HB3 1 45 MET ME . . 5.220 4.774 4.375 5.106 . 0 0 "[ . 1 . 2]" 1
894 1 38 PHE HB3 1 45 MET HG2 . . 4.770 2.100 1.998 2.297 . 0 0 "[ . 1 . 2]" 1
895 1 38 PHE HB3 1 45 MET HG3 . . 4.290 3.641 3.208 3.916 . 0 0 "[ . 1 . 2]" 1
896 1 38 PHE QD 1 39 PRO QD . . 4.580 3.860 3.736 4.112 . 0 0 "[ . 1 . 2]" 1
897 1 38 PHE QD 1 41 GLN QB . . 4.440 4.057 3.746 4.388 . 0 0 "[ . 1 . 2]" 1
898 1 38 PHE QD 1 42 GLU HA . . 4.690 4.463 4.153 4.668 . 0 0 "[ . 1 . 2]" 1
899 1 38 PHE QD 1 42 GLU QG . . 5.340 4.477 4.179 4.727 . 0 0 "[ . 1 . 2]" 1
900 1 38 PHE QD 1 45 MET HB3 . . 4.640 2.876 2.653 3.248 . 0 0 "[ . 1 . 2]" 1
901 1 38 PHE QD 1 45 MET HG3 . . 4.370 3.498 2.902 3.838 . 0 0 "[ . 1 . 2]" 1
902 1 38 PHE QE 1 45 MET HG2 . . 5.500 4.362 4.017 4.744 . 0 0 "[ . 1 . 2]" 1
903 1 38 PHE QE 1 45 MET HG3 . . 4.680 4.027 3.554 4.333 . 0 0 "[ . 1 . 2]" 1
904 1 38 PHE QE 1 47 LEU MD1 . . 4.330 3.764 3.121 4.252 . 0 0 "[ . 1 . 2]" 1
905 1 38 PHE QE 1 47 LEU QD . . 3.780 2.822 2.453 3.303 . 0 0 "[ . 1 . 2]" 1
906 1 38 PHE QE 1 47 LEU MD2 . . 4.330 3.013 2.504 3.817 . 0 0 "[ . 1 . 2]" 1
907 1 38 PHE QE 1 74 CYS QB . . 4.680 4.192 3.878 4.582 . 0 0 "[ . 1 . 2]" 1
908 1 39 PRO HA 1 40 GLY H . . 2.790 2.160 2.154 2.170 . 0 0 "[ . 1 . 2]" 1
909 1 39 PRO HA 1 41 GLN H . . 4.130 3.842 3.505 3.985 . 0 0 "[ . 1 . 2]" 1
910 1 39 PRO HB2 1 40 GLY H . . 4.350 3.569 3.427 3.742 . 0 0 "[ . 1 . 2]" 1
911 1 39 PRO HB2 1 40 GLY QA . . 4.460 3.960 3.902 4.033 . 0 0 "[ . 1 . 2]" 1
912 1 39 PRO HB2 1 41 GLN H . . 4.550 4.620 4.578 4.676 0.126 5 0 "[ . 1 . 2]" 1
913 1 39 PRO HB3 1 40 GLY H . . 4.290 4.027 3.931 4.147 . 0 0 "[ . 1 . 2]" 1
914 1 39 PRO QD 1 41 GLN H . . 5.350 4.323 4.208 4.404 . 0 0 "[ . 1 . 2]" 1
915 1 39 PRO QD 1 41 GLN QG . . 4.620 4.202 3.779 4.492 . 0 0 "[ . 1 . 2]" 1
916 1 40 GLY H 1 41 GLN H . . 3.480 3.183 2.837 3.370 . 0 0 "[ . 1 . 2]" 1
917 1 40 GLY H 1 42 GLU H . . 4.660 3.430 3.232 3.891 . 0 0 "[ . 1 . 2]" 1
918 1 40 GLY QA 1 41 GLN QG . . 5.180 3.810 3.495 4.151 . 0 0 "[ . 1 . 2]" 1
919 1 41 GLN H 1 41 GLN QB . . 3.370 2.452 2.220 2.615 . 0 0 "[ . 1 . 2]" 1
920 1 41 GLN H 1 41 GLN HG2 . . 4.280 2.739 2.116 3.607 . 0 0 "[ . 1 . 2]" 1
921 1 41 GLN H 1 41 GLN QG . . 3.620 2.306 1.878 2.820 . 0 0 "[ . 1 . 2]" 1
922 1 41 GLN H 1 41 GLN HG3 . . 4.280 3.173 1.894 4.000 . 0 0 "[ . 1 . 2]" 1
923 1 41 GLN H 1 42 GLU H . . 3.160 2.717 2.229 3.170 0.010 1 0 "[ . 1 . 2]" 1
924 1 41 GLN H 1 42 GLU HA . . 5.500 4.897 4.684 5.096 . 0 0 "[ . 1 . 2]" 1
925 1 41 GLN H 1 42 GLU QG . . 5.140 3.769 3.290 4.265 . 0 0 "[ . 1 . 2]" 1
926 1 41 GLN QB 1 45 MET H . . 4.850 3.513 3.182 3.839 . 0 0 "[ . 1 . 2]" 1
927 1 41 GLN QB 1 45 MET HG2 . . 4.110 2.750 2.356 3.330 . 0 0 "[ . 1 . 2]" 1
928 1 41 GLN QB 1 45 MET HG3 . . 4.440 3.993 3.704 4.432 . 0 0 "[ . 1 . 2]" 1
929 1 42 GLU H 1 42 GLU HB2 . . 4.090 2.680 2.475 2.944 . 0 0 "[ . 1 . 2]" 1
930 1 42 GLU H 1 42 GLU QB . . 3.460 2.605 2.436 2.802 . 0 0 "[ . 1 . 2]" 1
931 1 42 GLU H 1 42 GLU HB3 . . 4.090 3.590 3.514 3.633 . 0 0 "[ . 1 . 2]" 1
932 1 42 GLU H 1 42 GLU HG2 . . 4.230 3.579 3.384 4.043 . 0 0 "[ . 1 . 2]" 1
933 1 42 GLU H 1 42 GLU QG . . 3.500 2.255 1.880 3.099 . 0 0 "[ . 1 . 2]" 1
934 1 42 GLU H 1 42 GLU HG3 . . 4.230 2.292 1.889 3.218 . 0 0 "[ . 1 . 2]" 1
935 1 42 GLU H 1 43 SER H . . 4.270 2.635 2.285 2.854 . 0 0 "[ . 1 . 2]" 1
936 1 42 GLU HA 1 42 GLU QG . . 3.190 2.532 2.359 2.677 . 0 0 "[ . 1 . 2]" 1
937 1 42 GLU HA 1 44 GLN H . . 5.120 4.311 3.650 4.715 . 0 0 "[ . 1 . 2]" 1
938 1 42 GLU HA 1 45 MET H . . 4.440 3.540 3.113 3.748 . 0 0 "[ . 1 . 2]" 1
939 1 42 GLU HA 1 45 MET HB2 . . 4.170 2.348 2.027 2.650 . 0 0 "[ . 1 . 2]" 1
940 1 42 GLU HA 1 45 MET HB3 . . 5.050 3.716 3.370 4.140 . 0 0 "[ . 1 . 2]" 1
941 1 42 GLU HA 1 45 MET HG2 . . 4.840 4.059 3.468 4.456 . 0 0 "[ . 1 . 2]" 1
942 1 42 GLU QB 1 43 SER H . . 3.690 3.014 2.659 3.442 . 0 0 "[ . 1 . 2]" 1
943 1 42 GLU QB 1 44 GLN H . . 5.340 5.004 4.453 5.352 0.012 18 0 "[ . 1 . 2]" 1
944 1 42 GLU HB2 1 43 SER H . . 4.370 3.102 2.718 3.604 . 0 0 "[ . 1 . 2]" 1
945 1 42 GLU HB3 1 43 SER H . . 4.370 4.112 3.771 4.363 . 0 0 "[ . 1 . 2]" 1
946 1 43 SER H 1 43 SER HB2 . . 4.000 2.561 2.235 3.640 . 0 0 "[ . 1 . 2]" 1
947 1 43 SER H 1 43 SER HB3 . . 4.000 3.056 2.484 3.601 . 0 0 "[ . 1 . 2]" 1
948 1 43 SER H 1 44 GLN H . . 3.840 2.679 2.429 2.967 . 0 0 "[ . 1 . 2]" 1
949 1 43 SER HA 1 45 MET H . . 5.090 4.939 4.637 5.101 0.011 14 0 "[ . 1 . 2]" 1
950 1 43 SER HB2 1 44 GLN H . . 4.750 3.237 2.228 4.056 . 0 0 "[ . 1 . 2]" 1
951 1 43 SER HB3 1 44 GLN H . . 4.750 3.141 2.116 3.984 . 0 0 "[ . 1 . 2]" 1
952 1 44 GLN H 1 44 GLN QB . . 3.190 2.512 2.288 2.897 . 0 0 "[ . 1 . 2]" 1
953 1 44 GLN H 1 44 GLN QG . . 3.350 2.531 1.920 3.342 . 0 0 "[ . 1 . 2]" 1
954 1 44 GLN H 1 45 MET H . . 3.090 2.290 2.135 2.414 . 0 0 "[ . 1 . 2]" 1
955 1 44 GLN H 1 45 MET HB2 . . 4.910 4.204 4.023 4.328 . 0 0 "[ . 1 . 2]" 1
956 1 44 GLN H 1 45 MET HG2 . . 5.500 5.507 5.414 5.545 0.045 14 0 "[ . 1 . 2]" 1
957 1 44 GLN HA 1 44 GLN QG . . 3.490 2.743 2.334 3.425 . 0 0 "[ . 1 . 2]" 1
958 1 44 GLN HA 1 45 MET ME . . 4.950 4.552 4.052 4.876 . 0 0 "[ . 1 . 2]" 1
959 1 44 GLN HA 1 77 SER H . . 4.830 3.486 2.649 4.179 . 0 0 "[ . 1 . 2]" 1
960 1 44 GLN HA 1 77 SER HB2 . . 4.460 3.787 2.490 4.459 . 0 0 "[ . 1 . 2]" 1
961 1 44 GLN HA 1 77 SER HB3 . . 4.460 3.759 2.808 4.467 0.007 18 0 "[ . 1 . 2]" 1
962 1 44 GLN QB 1 45 MET H . . 4.080 2.707 2.418 3.487 . 0 0 "[ . 1 . 2]" 1
963 1 44 GLN QB 1 76 ARG QD . . 5.070 4.430 3.479 4.937 . 0 0 "[ . 1 . 2]" 1
964 1 44 GLN QB 1 76 ARG QG . . 3.730 2.989 2.388 3.388 . 0 0 "[ . 1 . 2]" 1
965 1 44 GLN QB 1 77 SER H . . 4.400 2.029 1.854 2.731 . 0 0 "[ . 1 . 2]" 1
966 1 44 GLN QB 1 77 SER QB . . 4.530 3.069 2.208 3.899 . 0 0 "[ . 1 . 2]" 1
967 1 44 GLN HB2 1 76 ARG QG . . 4.270 3.647 2.863 4.258 . 0 0 "[ . 1 . 2]" 1
968 1 44 GLN HB3 1 76 ARG QG . . 4.270 3.342 2.469 4.282 0.012 10 0 "[ . 1 . 2]" 1
969 1 44 GLN QG 1 45 MET H . . 5.450 3.660 1.861 4.454 . 0 0 "[ . 1 . 2]" 1
970 1 44 GLN QG 1 76 ARG QD . . 5.500 4.923 3.676 5.500 . 0 0 "[ . 1 . 2]" 1
971 1 44 GLN QG 1 76 ARG QG . . 4.710 3.764 2.272 4.462 . 0 0 "[ . 1 . 2]" 1
972 1 44 GLN QG 1 77 SER HB2 . . 5.500 4.288 2.327 5.503 0.003 8 0 "[ . 1 . 2]" 1
973 1 44 GLN QG 1 77 SER HB3 . . 5.500 3.681 2.096 5.519 0.019 10 0 "[ . 1 . 2]" 1
974 1 45 MET H 1 45 MET HB2 . . 3.240 2.303 2.259 2.369 . 0 0 "[ . 1 . 2]" 1
975 1 45 MET H 1 45 MET HB3 . . 3.850 3.553 3.540 3.577 . 0 0 "[ . 1 . 2]" 1
976 1 45 MET H 1 45 MET ME . . 3.450 3.253 3.055 3.374 . 0 0 "[ . 1 . 2]" 1
977 1 45 MET H 1 45 MET HG2 . . 3.920 3.630 3.574 3.779 . 0 0 "[ . 1 . 2]" 1
978 1 45 MET H 1 45 MET HG3 . . 4.970 3.952 3.860 4.120 . 0 0 "[ . 1 . 2]" 1
979 1 45 MET HA 1 45 MET ME . . 3.500 2.067 1.957 2.170 . 0 0 "[ . 1 . 2]" 1
980 1 45 MET HA 1 46 LYS H . . 2.850 2.254 2.143 2.292 . 0 0 "[ . 1 . 2]" 1
981 1 45 MET HA 1 47 LEU QD . . 4.620 4.201 3.676 4.474 . 0 0 "[ . 1 . 2]" 1
982 1 45 MET HB2 1 47 LEU QD . . 4.680 4.224 3.693 4.636 . 0 0 "[ . 1 . 2]" 1
983 1 45 MET HB3 1 46 LYS H . . 4.530 4.010 3.634 4.091 . 0 0 "[ . 1 . 2]" 1
984 1 45 MET HB3 1 47 LEU QD . . 4.030 2.980 2.547 3.243 . 0 0 "[ . 1 . 2]" 1
985 1 45 MET ME 1 45 MET HG2 . . 3.490 3.274 3.253 3.296 . 0 0 "[ . 1 . 2]" 1
986 1 45 MET ME 1 45 MET HG3 . . 3.150 2.095 2.065 2.133 . 0 0 "[ . 1 . 2]" 1
987 1 45 MET ME 1 46 LYS H . . 4.050 3.566 3.465 3.720 . 0 0 "[ . 1 . 2]" 1
988 1 45 MET ME 1 74 CYS HA . . 5.500 5.175 4.882 5.393 . 0 0 "[ . 1 . 2]" 1
989 1 45 MET ME 1 74 CYS QB . . 3.500 3.459 3.145 3.523 0.023 17 0 "[ . 1 . 2]" 1
990 1 45 MET ME 1 75 HIS H . . 4.480 4.323 4.112 4.487 0.007 10 0 "[ . 1 . 2]" 1
991 1 45 MET ME 1 76 ARG H . . 4.420 4.001 3.708 4.151 . 0 0 "[ . 1 . 2]" 1
992 1 45 MET ME 1 76 ARG HB2 . . 3.840 2.309 1.898 2.624 . 0 0 "[ . 1 . 2]" 1
993 1 45 MET ME 1 76 ARG QB . . 3.260 2.282 1.884 2.581 . 0 0 "[ . 1 . 2]" 1
994 1 45 MET ME 1 76 ARG HB3 . . 3.840 3.588 3.185 3.836 . 0 0 "[ . 1 . 2]" 1
995 1 45 MET ME 1 76 ARG QD . . 3.970 3.092 1.976 3.957 . 0 0 "[ . 1 . 2]" 1
996 1 45 MET ME 1 76 ARG QG . . 4.110 2.217 1.807 2.876 . 0 0 "[ . 1 . 2]" 1
997 1 45 MET ME 1 77 SER H . . 5.010 3.547 3.111 3.922 . 0 0 "[ . 1 . 2]" 1
998 1 45 MET ME 1 77 SER QB . . 5.340 5.106 4.682 5.349 0.009 18 0 "[ . 1 . 2]" 1
999 1 45 MET HG2 1 47 LEU QD . . 5.050 4.855 4.472 5.058 0.008 12 0 "[ . 1 . 2]" 1
1000 1 45 MET HG3 1 46 LYS H . . 4.850 4.772 4.373 4.866 0.016 14 0 "[ . 1 . 2]" 1
1001 1 45 MET HG3 1 47 LEU QD . . 4.530 4.329 4.031 4.535 0.005 1 0 "[ . 1 . 2]" 1
1002 1 46 LYS H 1 46 LYS HB2 . . 3.290 2.336 2.204 2.538 . 0 0 "[ . 1 . 2]" 1
1003 1 46 LYS H 1 46 LYS HB3 . . 3.930 3.323 2.857 3.615 . 0 0 "[ . 1 . 2]" 1
1004 1 46 LYS H 1 46 LYS HG2 . . 4.920 4.101 3.143 4.696 . 0 0 "[ . 1 . 2]" 1
1005 1 46 LYS H 1 46 LYS QG . . 4.330 3.441 3.060 4.039 . 0 0 "[ . 1 . 2]" 1
1006 1 46 LYS H 1 46 LYS HG3 . . 4.920 3.889 3.176 4.420 . 0 0 "[ . 1 . 2]" 1
1007 1 46 LYS H 1 47 LEU QD . . 4.680 4.100 3.529 4.516 . 0 0 "[ . 1 . 2]" 1
1008 1 46 LYS H 1 74 CYS QB . . 5.340 4.337 3.705 4.922 . 0 0 "[ . 1 . 2]" 1
1009 1 46 LYS H 1 75 HIS H . . 4.010 2.572 2.373 2.796 . 0 0 "[ . 1 . 2]" 1
1010 1 46 LYS HA 1 46 LYS QD . . 4.120 3.460 1.916 4.090 . 0 0 "[ . 1 . 2]" 1
1011 1 46 LYS HA 1 46 LYS HG2 . . 3.690 2.643 2.307 3.031 . 0 0 "[ . 1 . 2]" 1
1012 1 46 LYS HA 1 46 LYS HG3 . . 3.690 2.881 2.229 3.620 . 0 0 "[ . 1 . 2]" 1
1013 1 46 LYS HA 1 47 LEU H . . 2.740 2.152 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
1014 1 46 LYS HA 1 47 LEU QD . . 4.120 3.535 2.798 4.094 . 0 0 "[ . 1 . 2]" 1
1015 1 46 LYS HA 1 47 LEU HG . . 5.210 4.160 3.553 5.297 0.087 18 0 "[ . 1 . 2]" 1
1016 1 46 LYS HA 1 53 LEU MD1 . . 4.250 3.823 3.466 4.229 . 0 0 "[ . 1 . 2]" 1
1017 1 46 LYS HB2 1 47 LEU H . . 4.680 4.432 4.260 4.540 . 0 0 "[ . 1 . 2]" 1
1018 1 46 LYS HB2 1 53 LEU MD1 . . 4.340 3.813 3.500 4.339 . 0 0 "[ . 1 . 2]" 1
1019 1 46 LYS HB2 1 74 CYS HA . . 5.500 5.189 4.879 5.581 0.081 16 0 "[ . 1 . 2]" 1
1020 1 46 LYS HB2 1 75 HIS H . . 4.180 3.405 3.039 3.908 . 0 0 "[ . 1 . 2]" 1
1021 1 46 LYS HB2 1 75 HIS HB2 . . 4.060 2.453 1.998 3.290 . 0 0 "[ . 1 . 2]" 1
1022 1 46 LYS HB2 1 75 HIS QB . . 3.550 2.387 1.947 3.155 . 0 0 "[ . 1 . 2]" 1
1023 1 46 LYS HB2 1 75 HIS HB3 . . 4.060 3.312 2.669 4.064 0.004 18 0 "[ . 1 . 2]" 1
1024 1 46 LYS HB3 1 46 LYS QD . . 2.910 2.397 2.211 2.560 . 0 0 "[ . 1 . 2]" 1
1025 1 46 LYS HB3 1 46 LYS QE . . 4.050 3.744 2.899 4.068 0.018 1 0 "[ . 1 . 2]" 1
1026 1 46 LYS HB3 1 47 LEU H . . 4.220 3.594 3.126 4.102 . 0 0 "[ . 1 . 2]" 1
1027 1 46 LYS HB3 1 48 ILE MD . . 4.110 3.612 3.301 4.004 . 0 0 "[ . 1 . 2]" 1
1028 1 46 LYS HB3 1 53 LEU MD1 . . 3.690 2.613 2.034 3.674 . 0 0 "[ . 1 . 2]" 1
1029 1 46 LYS HB3 1 75 HIS H . . 4.870 3.592 2.844 4.087 . 0 0 "[ . 1 . 2]" 1
1030 1 46 LYS HB3 1 75 HIS HB2 . . 4.650 2.597 1.996 3.220 . 0 0 "[ . 1 . 2]" 1
1031 1 46 LYS HB3 1 75 HIS QB . . 3.980 2.562 1.983 3.164 . 0 0 "[ . 1 . 2]" 1
1032 1 46 LYS HB3 1 75 HIS HB3 . . 4.650 3.976 3.349 4.644 . 0 0 "[ . 1 . 2]" 1
1033 1 46 LYS QD 1 47 LEU H . . 5.060 4.490 2.735 5.116 0.056 8 0 "[ . 1 . 2]" 1
1034 1 46 LYS QD 1 53 LEU MD1 . . 3.810 2.157 1.940 2.769 . 0 0 "[ . 1 . 2]" 1
1035 1 46 LYS QD 1 53 LEU MD2 . . 4.100 2.555 1.965 3.629 . 0 0 "[ . 1 . 2]" 1
1036 1 46 LYS QE 1 46 LYS QG . . 3.450 2.167 2.003 2.530 . 0 0 "[ . 1 . 2]" 1
1037 1 46 LYS QE 1 53 LEU MD1 . . 4.050 3.518 1.963 4.021 . 0 0 "[ . 1 . 2]" 1
1038 1 46 LYS QE 1 53 LEU MD2 . . 4.020 3.055 1.777 4.021 0.001 7 0 "[ . 1 . 2]" 1
1039 1 46 LYS QG 1 47 LEU H . . 4.290 3.709 3.100 4.312 0.022 12 0 "[ . 1 . 2]" 1
1040 1 46 LYS QG 1 53 LEU MD1 . . 3.610 2.552 1.770 3.014 . 0 0 "[ . 1 . 2]" 1
1041 1 46 LYS QG 1 53 LEU MD2 . . 3.790 3.320 2.980 3.797 0.007 4 0 "[ . 1 . 2]" 1
1042 1 46 LYS HG2 1 47 LEU H . . 4.900 3.989 3.343 4.788 . 0 0 "[ . 1 . 2]" 1
1043 1 46 LYS HG3 1 47 LEU H . . 4.900 4.519 3.454 4.908 0.008 4 0 "[ . 1 . 2]" 1
1044 1 47 LEU H 1 47 LEU HB2 . . 3.300 2.594 2.384 2.732 . 0 0 "[ . 1 . 2]" 1
1045 1 47 LEU H 1 47 LEU HB3 . . 3.810 3.663 3.615 3.721 . 0 0 "[ . 1 . 2]" 1
1046 1 47 LEU H 1 47 LEU QD . . 3.810 2.700 1.827 3.115 . 0 0 "[ . 1 . 2]" 1
1047 1 47 LEU H 1 47 LEU HG . . 3.980 2.778 2.139 3.986 0.006 2 0 "[ . 1 . 2]" 1
1048 1 47 LEU H 1 53 LEU MD1 . . 4.020 3.509 3.095 3.980 . 0 0 "[ . 1 . 2]" 1
1049 1 47 LEU H 1 72 ILE MG . . 4.830 4.731 4.530 4.832 0.002 1 0 "[ . 1 . 2]" 1
1050 1 47 LEU HA 1 47 LEU QD . . 3.260 2.269 1.964 2.928 . 0 0 "[ . 1 . 2]" 1
1051 1 47 LEU HA 1 47 LEU HG . . 3.730 3.126 2.459 3.508 . 0 0 "[ . 1 . 2]" 1
1052 1 47 LEU HA 1 48 ILE H . . 2.860 2.195 2.177 2.215 . 0 0 "[ . 1 . 2]" 1
1053 1 47 LEU HA 1 48 ILE HB . . 4.620 4.522 4.448 4.581 . 0 0 "[ . 1 . 2]" 1
1054 1 47 LEU HA 1 48 ILE MD . . 4.890 4.480 4.352 4.611 . 0 0 "[ . 1 . 2]" 1
1055 1 47 LEU HA 1 48 ILE HG13 . . 4.540 3.718 3.636 3.851 . 0 0 "[ . 1 . 2]" 1
1056 1 47 LEU HA 1 53 LEU MD1 . . 4.880 4.526 4.306 4.753 . 0 0 "[ . 1 . 2]" 1
1057 1 47 LEU HA 1 54 LEU MD1 . . 4.750 4.223 3.951 4.449 . 0 0 "[ . 1 . 2]" 1
1058 1 47 LEU HA 1 54 LEU MD2 . . 5.500 5.488 5.405 5.512 0.012 13 0 "[ . 1 . 2]" 1
1059 1 47 LEU HA 1 72 ILE MG . . 3.560 2.883 2.729 2.978 . 0 0 "[ . 1 . 2]" 1
1060 1 47 LEU HA 1 75 HIS H . . 4.280 3.914 3.829 4.058 . 0 0 "[ . 1 . 2]" 1
1061 1 47 LEU HB2 1 48 ILE H . . 4.690 3.945 3.796 4.124 . 0 0 "[ . 1 . 2]" 1
1062 1 47 LEU HB2 1 54 LEU H . . 4.120 3.834 3.579 4.127 0.007 19 0 "[ . 1 . 2]" 1
1063 1 47 LEU HB2 1 54 LEU HB2 . . 3.630 2.415 2.126 2.777 . 0 0 "[ . 1 . 2]" 1
1064 1 47 LEU HB2 1 72 ILE MG . . 3.570 3.249 3.153 3.334 . 0 0 "[ . 1 . 2]" 1
1065 1 47 LEU HB2 1 74 CYS HA . . 5.500 5.473 5.295 5.554 0.054 16 0 "[ . 1 . 2]" 1
1066 1 47 LEU HB3 1 48 ILE H . . 4.160 3.050 2.957 3.137 . 0 0 "[ . 1 . 2]" 1
1067 1 47 LEU HB3 1 54 LEU H . . 5.040 4.869 4.573 5.018 . 0 0 "[ . 1 . 2]" 1
1068 1 47 LEU HB3 1 54 LEU HB2 . . 4.020 3.945 3.771 4.024 0.004 18 0 "[ . 1 . 2]" 1
1069 1 47 LEU HB3 1 54 LEU HB3 . . 5.210 4.962 4.795 5.067 . 0 0 "[ . 1 . 2]" 1
1070 1 47 LEU HB3 1 54 LEU MD1 . . 3.430 2.306 2.053 2.661 . 0 0 "[ . 1 . 2]" 1
1071 1 47 LEU HB3 1 54 LEU MD2 . . 4.490 4.408 4.165 4.506 0.016 14 0 "[ . 1 . 2]" 1
1072 1 47 LEU HB3 1 54 LEU HG . . 3.930 3.146 2.864 3.335 . 0 0 "[ . 1 . 2]" 1
1073 1 47 LEU HB3 1 72 ILE MD . . 3.980 3.302 3.050 3.498 . 0 0 "[ . 1 . 2]" 1
1074 1 47 LEU HB3 1 72 ILE MG . . 3.080 1.888 1.833 1.951 . 0 0 "[ . 1 . 2]" 1
1075 1 47 LEU HB3 1 73 HIS H . . 5.280 5.069 4.876 5.285 0.005 15 0 "[ . 1 . 2]" 1
1076 1 47 LEU QD 1 74 CYS H . . 5.370 4.820 4.338 5.440 0.070 18 0 "[ . 1 . 2]" 1
1077 1 47 LEU QD 1 74 CYS HA . . 4.000 3.001 2.634 3.699 . 0 0 "[ . 1 . 2]" 1
1078 1 47 LEU QD 1 74 CYS QB . . 3.850 3.332 2.888 3.880 0.030 18 0 "[ . 1 . 2]" 1
1079 1 47 LEU QD 1 75 HIS H . . 4.520 4.021 3.699 4.344 . 0 0 "[ . 1 . 2]" 1
1080 1 47 LEU MD1 1 48 ILE H . . 5.500 4.835 4.601 5.031 . 0 0 "[ . 1 . 2]" 1
1081 1 47 LEU MD2 1 48 ILE H . . 5.500 4.019 3.619 4.914 . 0 0 "[ . 1 . 2]" 1
1082 1 47 LEU HG 1 48 ILE H . . 5.320 4.931 4.066 5.319 . 0 0 "[ . 1 . 2]" 1
1083 1 47 LEU HG 1 74 CYS HA . . 5.370 4.617 3.385 5.247 . 0 0 "[ . 1 . 2]" 1
1084 1 48 ILE H 1 48 ILE HB . . 3.340 2.694 2.653 2.725 . 0 0 "[ . 1 . 2]" 1
1085 1 48 ILE H 1 48 ILE MD . . 3.930 3.778 3.692 3.929 . 0 0 "[ . 1 . 2]" 1
1086 1 48 ILE H 1 48 ILE HG12 . . 4.540 4.326 4.247 4.407 . 0 0 "[ . 1 . 2]" 1
1087 1 48 ILE H 1 48 ILE HG13 . . 3.790 3.027 2.937 3.152 . 0 0 "[ . 1 . 2]" 1
1088 1 48 ILE H 1 48 ILE MG . . 4.150 3.854 3.810 3.879 . 0 0 "[ . 1 . 2]" 1
1089 1 48 ILE H 1 53 LEU MD1 . . 4.860 4.504 4.305 4.649 . 0 0 "[ . 1 . 2]" 1
1090 1 48 ILE H 1 54 LEU MD1 . . 4.720 4.114 3.641 4.346 . 0 0 "[ . 1 . 2]" 1
1091 1 48 ILE H 1 72 ILE MG . . 3.430 2.486 2.397 2.615 . 0 0 "[ . 1 . 2]" 1
1092 1 48 ILE H 1 73 HIS HB2 . . 4.520 3.203 3.002 3.383 . 0 0 "[ . 1 . 2]" 1
1093 1 48 ILE H 1 73 HIS HB3 . . 4.660 4.574 4.358 4.665 0.005 17 0 "[ . 1 . 2]" 1
1094 1 48 ILE H 1 74 CYS HA . . 4.360 3.869 3.664 4.047 . 0 0 "[ . 1 . 2]" 1
1095 1 48 ILE H 1 75 HIS H . . 5.410 5.229 5.071 5.381 . 0 0 "[ . 1 . 2]" 1
1096 1 48 ILE HB 1 49 TYR H . . 4.670 4.260 4.228 4.303 . 0 0 "[ . 1 . 2]" 1
1097 1 48 ILE HB 1 49 TYR HA . . 5.500 4.855 4.808 4.930 . 0 0 "[ . 1 . 2]" 1
1098 1 48 ILE HB 1 51 GLY H . . 5.160 4.748 4.563 4.995 . 0 0 "[ . 1 . 2]" 1
1099 1 48 ILE HB 1 73 HIS H . . 4.150 3.994 3.835 4.154 0.004 2 0 "[ . 1 . 2]" 1
1100 1 48 ILE HB 1 73 HIS HB2 . . 3.220 2.303 1.999 2.593 . 0 0 "[ . 1 . 2]" 1
1101 1 48 ILE HB 1 73 HIS HB3 . . 4.110 3.762 3.332 4.074 . 0 0 "[ . 1 . 2]" 1
1102 1 48 ILE HB 1 74 CYS HA . . 5.500 5.319 5.020 5.515 0.015 18 0 "[ . 1 . 2]" 1
1103 1 48 ILE MD 1 49 TYR H . . 5.500 5.287 5.248 5.310 . 0 0 "[ . 1 . 2]" 1
1104 1 48 ILE MD 1 51 GLY H . . 5.500 5.384 5.257 5.503 0.003 14 0 "[ . 1 . 2]" 1
1105 1 48 ILE MD 1 51 GLY HA2 . . 4.790 4.623 4.448 4.792 0.002 8 0 "[ . 1 . 2]" 1
1106 1 48 ILE MD 1 53 LEU HA . . 4.490 4.204 3.994 4.464 . 0 0 "[ . 1 . 2]" 1
1107 1 48 ILE MD 1 53 LEU MD1 . . 3.710 2.824 2.590 2.995 . 0 0 "[ . 1 . 2]" 1
1108 1 48 ILE MD 1 53 LEU MD2 . . 4.610 4.398 4.155 4.612 0.002 15 0 "[ . 1 . 2]" 1
1109 1 48 ILE MD 1 73 HIS HB2 . . 4.010 3.281 2.971 3.536 . 0 0 "[ . 1 . 2]" 1
1110 1 48 ILE MD 1 73 HIS HB3 . . 4.400 3.777 3.304 4.041 . 0 0 "[ . 1 . 2]" 1
1111 1 48 ILE MD 1 73 HIS HD2 . . 5.500 5.462 5.273 5.506 0.006 17 0 "[ . 1 . 2]" 1
1112 1 48 ILE MD 1 74 CYS H . . 5.500 5.288 4.795 5.511 0.011 5 0 "[ . 1 . 2]" 1
1113 1 48 ILE MD 1 74 CYS HA . . 5.320 4.526 4.204 4.815 . 0 0 "[ . 1 . 2]" 1
1114 1 48 ILE MD 1 75 HIS QB . . 4.380 3.069 2.730 3.585 . 0 0 "[ . 1 . 2]" 1
1115 1 48 ILE MD 1 75 HIS HD2 . . 4.060 2.663 2.266 3.373 . 0 0 "[ . 1 . 2]" 1
1116 1 48 ILE MD 1 75 HIS HE1 . . 4.380 3.564 2.809 4.048 . 0 0 "[ . 1 . 2]" 1
1117 1 48 ILE HG12 1 48 ILE MG . . 3.400 2.202 2.031 2.276 . 0 0 "[ . 1 . 2]" 1
1118 1 48 ILE HG12 1 49 TYR H . . 4.640 4.533 4.403 4.620 . 0 0 "[ . 1 . 2]" 1
1119 1 48 ILE HG12 1 53 LEU HA . . 3.510 2.623 2.354 2.951 . 0 0 "[ . 1 . 2]" 1
1120 1 48 ILE HG12 1 53 LEU HB2 . . 4.400 3.459 2.922 4.061 . 0 0 "[ . 1 . 2]" 1
1121 1 48 ILE HG12 1 53 LEU HG . . 4.790 4.710 4.448 4.795 0.005 11 0 "[ . 1 . 2]" 1
1122 1 48 ILE HG12 1 54 LEU H . . 4.610 4.212 4.024 4.496 . 0 0 "[ . 1 . 2]" 1
1123 1 48 ILE HG13 1 48 ILE MG . . 3.500 3.151 3.125 3.176 . 0 0 "[ . 1 . 2]" 1
1124 1 48 ILE HG13 1 49 TYR H . . 4.910 4.781 4.703 4.863 . 0 0 "[ . 1 . 2]" 1
1125 1 48 ILE HG13 1 53 LEU HA . . 3.850 3.326 3.076 3.593 . 0 0 "[ . 1 . 2]" 1
1126 1 48 ILE HG13 1 53 LEU MD1 . . 3.790 2.335 2.131 2.545 . 0 0 "[ . 1 . 2]" 1
1127 1 48 ILE HG13 1 54 LEU H . . 4.820 4.036 3.873 4.302 . 0 0 "[ . 1 . 2]" 1
1128 1 48 ILE HG13 1 74 CYS HA . . 5.500 4.894 4.486 5.317 . 0 0 "[ . 1 . 2]" 1
1129 1 48 ILE MG 1 49 TYR H . . 3.550 2.722 2.498 2.774 . 0 0 "[ . 1 . 2]" 1
1130 1 48 ILE MG 1 49 TYR HA . . 4.190 3.604 3.489 3.713 . 0 0 "[ . 1 . 2]" 1
1131 1 48 ILE MG 1 50 GLN H . . 4.700 3.756 3.588 3.902 . 0 0 "[ . 1 . 2]" 1
1132 1 48 ILE MG 1 50 GLN HA . . 4.750 4.654 4.551 4.754 0.004 14 0 "[ . 1 . 2]" 1
1133 1 48 ILE MG 1 51 GLY H . . 3.370 2.454 2.203 2.645 . 0 0 "[ . 1 . 2]" 1
1134 1 48 ILE MG 1 51 GLY HA2 . . 3.410 2.478 2.335 2.605 . 0 0 "[ . 1 . 2]" 1
1135 1 48 ILE MG 1 51 GLY HA3 . . 3.850 3.728 3.623 3.854 0.004 3 0 "[ . 1 . 2]" 1
1136 1 48 ILE MG 1 52 ARG H . . 3.480 2.646 2.385 2.815 . 0 0 "[ . 1 . 2]" 1
1137 1 48 ILE MG 1 52 ARG HA . . 4.260 3.593 3.264 3.840 . 0 0 "[ . 1 . 2]" 1
1138 1 48 ILE MG 1 53 LEU H . . 4.530 3.844 3.417 4.213 . 0 0 "[ . 1 . 2]" 1
1139 1 48 ILE MG 1 53 LEU HA . . 4.020 3.126 2.808 3.493 . 0 0 "[ . 1 . 2]" 1
1140 1 48 ILE MG 1 54 LEU H . . 5.270 4.461 4.275 4.773 . 0 0 "[ . 1 . 2]" 1
1141 1 48 ILE MG 1 73 HIS H . . 5.070 4.636 4.307 4.903 . 0 0 "[ . 1 . 2]" 1
1142 1 48 ILE MG 1 73 HIS HB2 . . 4.100 3.604 3.217 3.892 . 0 0 "[ . 1 . 2]" 1
1143 1 48 ILE MG 1 73 HIS HB3 . . 5.110 4.797 4.398 5.117 0.007 4 0 "[ . 1 . 2]" 1
1144 1 48 ILE MG 1 73 HIS HD2 . . 4.680 4.088 3.592 4.528 . 0 0 "[ . 1 . 2]" 1
1145 1 49 TYR H 1 49 TYR QB . . 3.280 2.449 2.412 2.496 . 0 0 "[ . 1 . 2]" 1
1146 1 49 TYR H 1 49 TYR QD . . 4.510 4.256 4.212 4.298 . 0 0 "[ . 1 . 2]" 1
1147 1 49 TYR H 1 52 ARG H . . 3.710 3.229 2.888 3.370 . 0 0 "[ . 1 . 2]" 1
1148 1 49 TYR H 1 52 ARG QB . . 4.610 3.303 3.100 3.514 . 0 0 "[ . 1 . 2]" 1
1149 1 49 TYR H 1 53 LEU HA . . 4.650 3.773 3.690 3.946 . 0 0 "[ . 1 . 2]" 1
1150 1 49 TYR H 1 54 LEU MD1 . . 4.180 3.834 3.678 3.925 . 0 0 "[ . 1 . 2]" 1
1151 1 49 TYR H 1 54 LEU MD2 . . 3.990 2.070 1.886 2.259 . 0 0 "[ . 1 . 2]" 1
1152 1 49 TYR H 1 54 LEU HG . . 4.230 3.271 3.160 3.505 . 0 0 "[ . 1 . 2]" 1
1153 1 49 TYR HA 1 49 TYR QD . . 2.950 2.908 2.833 2.956 0.006 10 0 "[ . 1 . 2]" 1
1154 1 49 TYR HA 1 49 TYR QE . . 4.790 4.680 4.649 4.713 . 0 0 "[ . 1 . 2]" 1
1155 1 49 TYR HA 1 50 GLN H . . 3.050 2.142 2.138 2.147 . 0 0 "[ . 1 . 2]" 1
1156 1 49 TYR HA 1 50 GLN HA . . 4.410 4.363 4.361 4.367 . 0 0 "[ . 1 . 2]" 1
1157 1 49 TYR HA 1 50 GLN HB2 . . 5.500 4.590 4.479 4.751 . 0 0 "[ . 1 . 2]" 1
1158 1 49 TYR HA 1 50 GLN QG . . 4.400 3.892 3.663 4.095 . 0 0 "[ . 1 . 2]" 1
1159 1 49 TYR HA 1 51 GLY H . . 4.770 4.012 3.731 4.249 . 0 0 "[ . 1 . 2]" 1
1160 1 49 TYR HA 1 66 ILE MD . . 5.500 5.503 5.490 5.513 0.013 19 0 "[ . 1 . 2]" 1
1161 1 49 TYR HA 1 72 ILE HA . . 4.230 4.001 3.736 4.138 . 0 0 "[ . 1 . 2]" 1
1162 1 49 TYR HA 1 72 ILE MD . . 5.290 5.076 4.921 5.226 . 0 0 "[ . 1 . 2]" 1
1163 1 49 TYR HA 1 72 ILE HG12 . . 4.820 4.339 4.130 4.451 . 0 0 "[ . 1 . 2]" 1
1164 1 49 TYR HA 1 72 ILE MG . . 4.500 4.072 3.787 4.271 . 0 0 "[ . 1 . 2]" 1
1165 1 49 TYR HA 1 73 HIS H . . 4.370 4.160 3.867 4.390 0.020 19 0 "[ . 1 . 2]" 1
1166 1 49 TYR QB 1 50 GLN H . . 4.600 3.860 3.771 3.903 . 0 0 "[ . 1 . 2]" 1
1167 1 49 TYR QB 1 52 ARG H . . 4.690 4.203 3.886 4.343 . 0 0 "[ . 1 . 2]" 1
1168 1 49 TYR QB 1 52 ARG QB . . 4.450 3.335 3.006 3.564 . 0 0 "[ . 1 . 2]" 1
1169 1 49 TYR QB 1 54 LEU MD1 . . 3.250 2.528 2.330 2.688 . 0 0 "[ . 1 . 2]" 1
1170 1 49 TYR QB 1 54 LEU MD2 . . 3.160 1.889 1.807 2.067 . 0 0 "[ . 1 . 2]" 1
1171 1 49 TYR QB 1 64 LEU MD1 . . 4.360 3.915 3.590 4.186 . 0 0 "[ . 1 . 2]" 1
1172 1 49 TYR QB 1 64 LEU MD2 . . 4.690 3.662 3.422 3.934 . 0 0 "[ . 1 . 2]" 1
1173 1 49 TYR QB 1 66 ILE MD . . 3.820 3.361 3.261 3.438 . 0 0 "[ . 1 . 2]" 1
1174 1 49 TYR QB 1 72 ILE HA . . 4.540 4.521 4.395 4.556 0.016 8 0 "[ . 1 . 2]" 1
1175 1 49 TYR QB 1 72 ILE MD . . 4.120 3.614 3.472 3.753 . 0 0 "[ . 1 . 2]" 1
1176 1 49 TYR QB 1 72 ILE HG12 . . 4.540 3.623 3.453 3.679 . 0 0 "[ . 1 . 2]" 1
1177 1 49 TYR QB 1 72 ILE HG13 . . 5.280 5.253 5.095 5.295 0.015 16 0 "[ . 1 . 2]" 1
1178 1 49 TYR QB 1 72 ILE MG . . 3.810 3.474 3.297 3.644 . 0 0 "[ . 1 . 2]" 1
1179 1 49 TYR QD 1 50 GLN H . . 4.170 3.833 3.655 3.938 . 0 0 "[ . 1 . 2]" 1
1180 1 49 TYR QD 1 50 GLN HB2 . . 3.900 2.794 2.608 3.028 . 0 0 "[ . 1 . 2]" 1
1181 1 49 TYR QD 1 50 GLN HG2 . . 4.590 4.004 2.861 4.526 . 0 0 "[ . 1 . 2]" 1
1182 1 49 TYR QD 1 50 GLN QG . . 3.940 2.781 2.428 3.038 . 0 0 "[ . 1 . 2]" 1
1183 1 49 TYR QD 1 50 GLN HG3 . . 4.590 2.873 2.624 3.112 . 0 0 "[ . 1 . 2]" 1
1184 1 49 TYR QD 1 52 ARG H . . 4.800 4.690 4.498 4.809 0.009 7 0 "[ . 1 . 2]" 1
1185 1 49 TYR QD 1 54 LEU MD1 . . 4.440 4.043 3.830 4.277 . 0 0 "[ . 1 . 2]" 1
1186 1 49 TYR QD 1 54 LEU MD2 . . 3.840 3.719 3.639 3.836 . 0 0 "[ . 1 . 2]" 1
1187 1 49 TYR QD 1 66 ILE MD . . 4.110 3.715 3.572 3.900 . 0 0 "[ . 1 . 2]" 1
1188 1 49 TYR QD 1 66 ILE HG12 . . 4.510 3.061 2.876 3.225 . 0 0 "[ . 1 . 2]" 1
1189 1 49 TYR QD 1 66 ILE HG13 . . 4.560 3.821 3.482 4.066 . 0 0 "[ . 1 . 2]" 1
1190 1 49 TYR QD 1 72 ILE HA . . 4.180 3.913 3.700 4.067 . 0 0 "[ . 1 . 2]" 1
1191 1 49 TYR QD 1 72 ILE MD . . 4.290 3.624 3.330 3.965 . 0 0 "[ . 1 . 2]" 1
1192 1 49 TYR QD 1 72 ILE HG12 . . 3.450 2.752 2.494 3.019 . 0 0 "[ . 1 . 2]" 1
1193 1 49 TYR QD 1 72 ILE HG13 . . 4.400 4.210 4.001 4.409 0.009 19 0 "[ . 1 . 2]" 1
1194 1 49 TYR QD 1 72 ILE MG . . 4.310 4.055 3.787 4.311 0.001 17 0 "[ . 1 . 2]" 1
1195 1 49 TYR QD 1 73 HIS H . . 5.500 5.330 5.100 5.504 0.004 18 0 "[ . 1 . 2]" 1
1196 1 49 TYR QE 1 50 GLN HB2 . . 4.370 3.720 3.503 3.860 . 0 0 "[ . 1 . 2]" 1
1197 1 49 TYR QE 1 50 GLN QE . . 4.040 3.109 2.045 4.041 0.001 12 0 "[ . 1 . 2]" 1
1198 1 49 TYR QE 1 50 GLN HG2 . . 4.630 3.779 2.930 4.229 . 0 0 "[ . 1 . 2]" 1
1199 1 49 TYR QE 1 50 GLN QG . . 3.860 2.490 1.979 2.784 . 0 0 "[ . 1 . 2]" 1
1200 1 49 TYR QE 1 50 GLN HG3 . . 4.630 2.527 2.012 2.824 . 0 0 "[ . 1 . 2]" 1
1201 1 49 TYR QE 1 54 LEU MD2 . . 5.500 5.371 5.287 5.492 . 0 0 "[ . 1 . 2]" 1
1202 1 49 TYR QE 1 64 LEU MD2 . . 5.500 5.384 5.167 5.507 0.007 19 0 "[ . 1 . 2]" 1
1203 1 49 TYR QE 1 65 ASN HB2 . . 4.730 2.532 2.138 3.581 . 0 0 "[ . 1 . 2]" 1
1204 1 49 TYR QE 1 65 ASN QB . . 4.060 2.422 2.118 2.951 . 0 0 "[ . 1 . 2]" 1
1205 1 49 TYR QE 1 65 ASN HB3 . . 4.730 3.559 2.327 4.212 . 0 0 "[ . 1 . 2]" 1
1206 1 49 TYR QE 1 66 ILE HA . . 4.230 3.074 2.769 3.365 . 0 0 "[ . 1 . 2]" 1
1207 1 49 TYR QE 1 66 ILE MD . . 4.830 4.564 4.395 4.742 . 0 0 "[ . 1 . 2]" 1
1208 1 49 TYR QE 1 66 ILE HG12 . . 4.520 3.320 3.131 3.577 . 0 0 "[ . 1 . 2]" 1
1209 1 49 TYR QE 1 66 ILE HG13 . . 4.430 3.931 3.593 4.173 . 0 0 "[ . 1 . 2]" 1
1210 1 49 TYR QE 1 66 ILE MG . . 4.360 4.230 3.872 4.361 0.001 13 0 "[ . 1 . 2]" 1
1211 1 49 TYR QE 1 70 CYS QB . . 3.500 3.402 3.013 3.514 0.014 6 0 "[ . 1 . 2]" 1
1212 1 49 TYR QE 1 71 VAL H . . 4.930 4.831 4.627 4.936 0.006 19 0 "[ . 1 . 2]" 1
1213 1 49 TYR QE 1 72 ILE MD . . 5.360 4.900 4.566 5.253 . 0 0 "[ . 1 . 2]" 1
1214 1 49 TYR QE 1 72 ILE HG12 . . 4.940 4.448 4.093 4.794 . 0 0 "[ . 1 . 2]" 1
1215 1 50 GLN H 1 50 GLN HG2 . . 4.070 3.097 2.496 3.560 . 0 0 "[ . 1 . 2]" 1
1216 1 50 GLN H 1 50 GLN HG3 . . 4.070 3.450 2.961 4.106 0.036 14 0 "[ . 1 . 2]" 1
1217 1 50 GLN H 1 51 GLY H . . 3.840 2.764 2.679 2.860 . 0 0 "[ . 1 . 2]" 1
1218 1 50 GLN H 1 52 ARG H . . 5.470 3.904 3.822 4.003 . 0 0 "[ . 1 . 2]" 1
1219 1 50 GLN H 1 73 HIS H . . 5.500 5.274 4.867 5.507 0.007 4 0 "[ . 1 . 2]" 1
1220 1 50 GLN HA 1 50 GLN HG2 . . 3.840 2.501 2.284 2.835 . 0 0 "[ . 1 . 2]" 1
1221 1 50 GLN HA 1 50 GLN QG . . 3.150 2.440 2.244 2.765 . 0 0 "[ . 1 . 2]" 1
1222 1 50 GLN HA 1 50 GLN HG3 . . 3.840 3.404 3.076 3.839 . 0 0 "[ . 1 . 2]" 1
1223 1 50 GLN HA 1 51 GLY H . . 3.330 2.739 2.639 2.892 . 0 0 "[ . 1 . 2]" 1
1224 1 50 GLN HA 1 51 GLY HA2 . . 4.980 4.706 4.668 4.754 . 0 0 "[ . 1 . 2]" 1
1225 1 50 GLN HA 1 51 GLY HA3 . . 4.610 4.329 4.313 4.360 . 0 0 "[ . 1 . 2]" 1
1226 1 50 GLN HB2 1 50 GLN QE . . 4.120 3.606 2.213 4.121 0.001 16 0 "[ . 1 . 2]" 1
1227 1 50 GLN HB2 1 51 GLY H . . 5.390 4.291 4.127 4.371 . 0 0 "[ . 1 . 2]" 1
1228 1 50 GLN HB2 1 52 ARG H . . 3.730 3.576 3.485 3.717 . 0 0 "[ . 1 . 2]" 1
1229 1 50 GLN HB3 1 51 GLY H . . 5.080 4.426 4.384 4.488 . 0 0 "[ . 1 . 2]" 1
1230 1 51 GLY H 1 52 ARG H . . 3.720 2.647 2.440 2.730 . 0 0 "[ . 1 . 2]" 1
1231 1 52 ARG H 1 52 ARG QB . . 3.100 2.381 2.325 2.448 . 0 0 "[ . 1 . 2]" 1
1232 1 52 ARG H 1 52 ARG QG . . 4.590 4.031 3.945 4.098 . 0 0 "[ . 1 . 2]" 1
1233 1 52 ARG H 1 53 LEU H . . 5.190 4.483 4.449 4.534 . 0 0 "[ . 1 . 2]" 1
1234 1 52 ARG HA 1 52 ARG QD . . 4.300 3.597 2.000 4.217 . 0 0 "[ . 1 . 2]" 1
1235 1 52 ARG HA 1 52 ARG HG2 . . 4.030 3.121 2.253 3.860 . 0 0 "[ . 1 . 2]" 1
1236 1 52 ARG HA 1 52 ARG QG . . 3.430 2.494 2.227 3.026 . 0 0 "[ . 1 . 2]" 1
1237 1 52 ARG HA 1 52 ARG HG3 . . 4.030 2.703 2.283 3.500 . 0 0 "[ . 1 . 2]" 1
1238 1 52 ARG HA 1 53 LEU H . . 2.700 2.183 2.164 2.239 . 0 0 "[ . 1 . 2]" 1
1239 1 52 ARG HA 1 53 LEU HB2 . . 4.560 4.346 4.201 4.442 . 0 0 "[ . 1 . 2]" 1
1240 1 52 ARG HA 1 53 LEU HB3 . . 5.500 4.779 4.650 5.011 . 0 0 "[ . 1 . 2]" 1
1241 1 52 ARG HA 1 53 LEU MD1 . . 5.500 5.331 4.978 5.501 0.001 12 0 "[ . 1 . 2]" 1
1242 1 52 ARG QB 1 52 ARG QD . . 3.450 2.248 2.013 2.705 . 0 0 "[ . 1 . 2]" 1
1243 1 52 ARG QB 1 53 LEU H . . 3.790 3.628 3.418 3.713 . 0 0 "[ . 1 . 2]" 1
1244 1 52 ARG QB 1 53 LEU HA . . 5.490 4.746 4.540 4.918 . 0 0 "[ . 1 . 2]" 1
1245 1 52 ARG QB 1 54 LEU MD2 . . 3.720 3.285 3.067 3.567 . 0 0 "[ . 1 . 2]" 1
1246 1 52 ARG QB 1 64 LEU MD2 . . 4.440 4.308 3.890 4.448 0.008 6 0 "[ . 1 . 2]" 1
1247 1 52 ARG QD 1 54 LEU MD2 . . 4.470 3.954 2.618 4.472 0.002 13 0 "[ . 1 . 2]" 1
1248 1 52 ARG QD 1 64 LEU MD2 . . 4.990 3.730 2.646 4.994 0.004 16 0 "[ . 1 . 2]" 1
1249 1 52 ARG QG 1 53 LEU H . . 4.050 2.637 2.312 2.975 . 0 0 "[ . 1 . 2]" 1
1250 1 52 ARG QG 1 54 LEU MD2 . . 4.300 3.451 2.791 4.302 0.002 3 0 "[ . 1 . 2]" 1
1251 1 52 ARG HG2 1 53 LEU H . . 4.600 3.166 2.344 4.375 . 0 0 "[ . 1 . 2]" 1
1252 1 52 ARG HG3 1 53 LEU H . . 4.600 3.185 2.646 4.159 . 0 0 "[ . 1 . 2]" 1
1253 1 53 LEU H 1 53 LEU HB2 . . 3.080 2.510 2.295 2.639 . 0 0 "[ . 1 . 2]" 1
1254 1 53 LEU H 1 53 LEU HB3 . . 3.110 2.610 2.489 2.831 . 0 0 "[ . 1 . 2]" 1
1255 1 53 LEU H 1 53 LEU MD1 . . 4.410 3.970 3.724 4.089 . 0 0 "[ . 1 . 2]" 1
1256 1 53 LEU H 1 53 LEU MD2 . . 4.440 4.250 4.174 4.308 . 0 0 "[ . 1 . 2]" 1
1257 1 53 LEU H 1 53 LEU HG . . 4.680 4.537 4.478 4.632 . 0 0 "[ . 1 . 2]" 1
1258 1 53 LEU H 1 54 LEU H . . 5.450 4.490 4.451 4.537 . 0 0 "[ . 1 . 2]" 1
1259 1 53 LEU HA 1 53 LEU MD1 . . 3.150 2.024 1.964 2.145 . 0 0 "[ . 1 . 2]" 1
1260 1 53 LEU HA 1 53 LEU MD2 . . 4.040 3.829 3.748 3.885 . 0 0 "[ . 1 . 2]" 1
1261 1 53 LEU HA 1 53 LEU HG . . 3.890 3.070 2.856 3.201 . 0 0 "[ . 1 . 2]" 1
1262 1 53 LEU HA 1 54 LEU H . . 2.740 2.146 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
1263 1 53 LEU HA 1 54 LEU HA . . 4.410 4.374 4.364 4.387 . 0 0 "[ . 1 . 2]" 1
1264 1 53 LEU HA 1 54 LEU HB2 . . 5.270 4.821 4.762 4.914 . 0 0 "[ . 1 . 2]" 1
1265 1 53 LEU HA 1 54 LEU HG . . 4.080 3.870 3.690 3.970 . 0 0 "[ . 1 . 2]" 1
1266 1 53 LEU HB2 1 53 LEU MD1 . . 3.260 2.346 2.278 2.418 . 0 0 "[ . 1 . 2]" 1
1267 1 53 LEU HB2 1 53 LEU MD2 . . 3.200 2.323 2.214 2.481 . 0 0 "[ . 1 . 2]" 1
1268 1 53 LEU HB2 1 54 LEU H . . 4.630 4.336 4.265 4.459 . 0 0 "[ . 1 . 2]" 1
1269 1 53 LEU HB2 1 55 GLN H . . 4.900 4.578 4.235 4.815 . 0 0 "[ . 1 . 2]" 1
1270 1 53 LEU HB2 1 55 GLN HG2 . . 5.150 4.855 4.187 5.145 . 0 0 "[ . 1 . 2]" 1
1271 1 53 LEU HB2 1 55 GLN QG . . 4.480 3.851 3.640 4.140 . 0 0 "[ . 1 . 2]" 1
1272 1 53 LEU HB2 1 55 GLN HG3 . . 5.150 4.150 3.726 5.051 . 0 0 "[ . 1 . 2]" 1
1273 1 53 LEU HB3 1 53 LEU MD1 . . 3.450 3.184 3.179 3.195 . 0 0 "[ . 1 . 2]" 1
1274 1 53 LEU HB3 1 53 LEU MD2 . . 3.080 2.345 2.188 2.465 . 0 0 "[ . 1 . 2]" 1
1275 1 53 LEU HB3 1 54 LEU H . . 4.420 4.115 3.874 4.232 . 0 0 "[ . 1 . 2]" 1
1276 1 53 LEU HB3 1 54 LEU HA . . 5.500 4.986 4.778 5.106 . 0 0 "[ . 1 . 2]" 1
1277 1 53 LEU HB3 1 55 GLN HG2 . . 4.160 3.711 3.009 4.083 . 0 0 "[ . 1 . 2]" 1
1278 1 53 LEU HB3 1 55 GLN HG3 . . 4.160 2.708 2.277 3.634 . 0 0 "[ . 1 . 2]" 1
1279 1 53 LEU MD1 1 54 LEU H . . 3.380 2.682 2.307 2.985 . 0 0 "[ . 1 . 2]" 1
1280 1 53 LEU MD1 1 54 LEU HA . . 5.500 4.911 4.609 5.314 . 0 0 "[ . 1 . 2]" 1
1281 1 53 LEU MD1 1 54 LEU HB2 . . 5.050 4.355 3.894 4.916 . 0 0 "[ . 1 . 2]" 1
1282 1 53 LEU MD1 1 54 LEU HG . . 4.550 4.176 3.969 4.448 . 0 0 "[ . 1 . 2]" 1
1283 1 53 LEU MD1 1 55 GLN H . . 4.830 3.960 3.509 4.261 . 0 0 "[ . 1 . 2]" 1
1284 1 53 LEU MD1 1 55 GLN HA . . 5.000 4.395 4.086 4.879 . 0 0 "[ . 1 . 2]" 1
1285 1 53 LEU MD2 1 54 LEU H . . 4.890 4.617 4.522 4.760 . 0 0 "[ . 1 . 2]" 1
1286 1 53 LEU MD2 1 55 GLN H . . 4.630 3.833 3.364 4.128 . 0 0 "[ . 1 . 2]" 1
1287 1 53 LEU MD2 1 55 GLN HA . . 5.270 3.917 3.576 4.289 . 0 0 "[ . 1 . 2]" 1
1288 1 53 LEU MD2 1 55 GLN QE . . 4.660 2.857 1.872 4.654 . 0 0 "[ . 1 . 2]" 1
1289 1 53 LEU MD2 1 55 GLN HG2 . . 4.220 2.221 1.928 2.736 . 0 0 "[ . 1 . 2]" 1
1290 1 53 LEU MD2 1 55 GLN QG . . 3.650 1.951 1.753 2.640 . 0 0 "[ . 1 . 2]" 1
1291 1 53 LEU MD2 1 55 GLN HG3 . . 4.220 2.250 1.915 3.474 . 0 0 "[ . 1 . 2]" 1
1292 1 53 LEU HG 1 54 LEU H . . 4.240 3.236 3.042 3.410 . 0 0 "[ . 1 . 2]" 1
1293 1 53 LEU HG 1 54 LEU HA . . 5.080 4.693 4.524 5.005 . 0 0 "[ . 1 . 2]" 1
1294 1 53 LEU HG 1 55 GLN H . . 4.770 2.646 2.052 3.033 . 0 0 "[ . 1 . 2]" 1
1295 1 53 LEU HG 1 55 GLN HA . . 4.250 3.327 3.140 3.658 . 0 0 "[ . 1 . 2]" 1
1296 1 53 LEU HG 1 55 GLN QB . . 3.870 3.737 2.617 3.872 0.002 6 0 "[ . 1 . 2]" 1
1297 1 53 LEU HG 1 55 GLN HG2 . . 4.450 2.587 2.016 3.600 . 0 0 "[ . 1 . 2]" 1
1298 1 53 LEU HG 1 55 GLN QG . . 3.890 2.202 1.947 3.032 . 0 0 "[ . 1 . 2]" 1
1299 1 53 LEU HG 1 55 GLN HG3 . . 4.450 2.627 1.998 3.698 . 0 0 "[ . 1 . 2]" 1
1300 1 54 LEU H 1 54 LEU HB2 . . 3.490 2.683 2.623 2.762 . 0 0 "[ . 1 . 2]" 1
1301 1 54 LEU H 1 54 LEU HB3 . . 3.870 3.608 3.593 3.625 . 0 0 "[ . 1 . 2]" 1
1302 1 54 LEU H 1 54 LEU MD1 . . 3.840 3.806 3.719 3.856 0.016 19 0 "[ . 1 . 2]" 1
1303 1 54 LEU H 1 54 LEU MD2 . . 3.760 2.512 2.441 2.779 . 0 0 "[ . 1 . 2]" 1
1304 1 54 LEU H 1 54 LEU HG . . 3.270 2.236 2.101 2.313 . 0 0 "[ . 1 . 2]" 1
1305 1 54 LEU HA 1 54 LEU MD1 . . 4.050 3.752 3.684 3.873 . 0 0 "[ . 1 . 2]" 1
1306 1 54 LEU HA 1 54 LEU MD2 . . 2.850 2.085 1.989 2.172 . 0 0 "[ . 1 . 2]" 1
1307 1 54 LEU HA 1 54 LEU HG . . 3.920 3.551 3.500 3.580 . 0 0 "[ . 1 . 2]" 1
1308 1 54 LEU HA 1 55 GLN H . . 3.090 2.753 2.623 3.036 . 0 0 "[ . 1 . 2]" 1
1309 1 54 LEU HA 1 55 GLN QB . . 5.410 4.549 4.434 5.178 . 0 0 "[ . 1 . 2]" 1
1310 1 54 LEU HA 1 56 ASP H . . 4.410 4.343 3.751 4.418 0.008 18 0 "[ . 1 . 2]" 1
1311 1 54 LEU HB3 1 54 LEU MD1 . . 3.120 2.168 2.062 2.302 . 0 0 "[ . 1 . 2]" 1
1312 1 54 LEU HB3 1 54 LEU MD2 . . 3.130 2.583 2.502 2.623 . 0 0 "[ . 1 . 2]" 1
1313 1 54 LEU HB3 1 55 GLN H . . 5.270 4.480 4.429 4.540 . 0 0 "[ . 1 . 2]" 1
1314 1 54 LEU MD1 1 66 ILE MD . . 3.410 2.433 2.103 2.610 . 0 0 "[ . 1 . 2]" 1
1315 1 54 LEU MD1 1 72 ILE MD . . 3.650 2.552 2.389 2.667 . 0 0 "[ . 1 . 2]" 1
1316 1 54 LEU MD2 1 55 GLN H . . 4.340 4.056 3.996 4.271 . 0 0 "[ . 1 . 2]" 1
1317 1 54 LEU MD2 1 66 ILE MD . . 3.780 3.542 3.022 3.777 . 0 0 "[ . 1 . 2]" 1
1318 1 54 LEU MD2 1 72 ILE MD . . 4.400 4.290 4.118 4.386 . 0 0 "[ . 1 . 2]" 1
1319 1 55 GLN H 1 55 GLN QB . . 3.280 2.348 2.202 2.626 . 0 0 "[ . 1 . 2]" 1
1320 1 55 GLN H 1 55 GLN HG2 . . 4.200 3.205 2.644 3.416 . 0 0 "[ . 1 . 2]" 1
1321 1 55 GLN H 1 55 GLN HG3 . . 4.200 2.738 1.956 3.692 . 0 0 "[ . 1 . 2]" 1
1322 1 55 GLN H 1 56 ASP H . . 3.540 3.203 3.056 3.409 . 0 0 "[ . 1 . 2]" 1
1323 1 55 GLN HA 1 55 GLN QG . . 3.680 2.325 2.167 3.349 . 0 0 "[ . 1 . 2]" 1
1324 1 55 GLN QB 1 56 ASP H . . 4.290 2.137 1.940 3.065 . 0 0 "[ . 1 . 2]" 1
1325 1 55 GLN QB 1 56 ASP HA . . 4.260 3.707 3.642 4.009 . 0 0 "[ . 1 . 2]" 1
1326 1 55 GLN QB 1 56 ASP QB . . 4.710 3.994 3.596 4.468 . 0 0 "[ . 1 . 2]" 1
1327 1 55 GLN HG2 1 56 ASP H . . 4.910 4.573 3.583 4.693 . 0 0 "[ . 1 . 2]" 1
1328 1 55 GLN HG3 1 56 ASP H . . 4.910 4.264 2.308 4.538 . 0 0 "[ . 1 . 2]" 1
1329 1 56 ASP H 1 56 ASP HB2 . . 3.800 2.454 2.234 2.767 . 0 0 "[ . 1 . 2]" 1
1330 1 56 ASP H 1 56 ASP QB . . 3.330 2.389 2.168 2.680 . 0 0 "[ . 1 . 2]" 1
1331 1 56 ASP H 1 56 ASP HB3 . . 3.800 3.389 2.630 3.610 . 0 0 "[ . 1 . 2]" 1
1332 1 56 ASP HA 1 57 PRO QG . . 4.240 3.769 3.766 3.776 . 0 0 "[ . 1 . 2]" 1
1333 1 56 ASP HA 1 58 ALA H . . 4.270 3.335 3.302 3.361 . 0 0 "[ . 1 . 2]" 1
1334 1 56 ASP QB 1 57 PRO HD2 . . 4.510 3.642 3.384 3.950 . 0 0 "[ . 1 . 2]" 1
1335 1 56 ASP QB 1 57 PRO HD3 . . 4.920 4.386 4.289 4.478 . 0 0 "[ . 1 . 2]" 1
1336 1 56 ASP QB 1 58 ALA H . . 4.720 2.888 2.624 3.569 . 0 0 "[ . 1 . 2]" 1
1337 1 56 ASP QB 1 59 ARG H . . 4.620 3.007 2.385 3.879 . 0 0 "[ . 1 . 2]" 1
1338 1 56 ASP QB 1 59 ARG HB2 . . 4.450 2.854 2.062 3.507 . 0 0 "[ . 1 . 2]" 1
1339 1 56 ASP QB 1 59 ARG HG2 . . 3.530 2.116 1.914 2.435 . 0 0 "[ . 1 . 2]" 1
1340 1 56 ASP QB 1 59 ARG HG3 . . 3.680 2.222 1.995 2.580 . 0 0 "[ . 1 . 2]" 1
1341 1 56 ASP HB2 1 59 ARG HG2 . . 4.130 2.610 2.071 3.632 . 0 0 "[ . 1 . 2]" 1
1342 1 56 ASP HB2 1 59 ARG HG3 . . 4.440 2.550 2.016 3.589 . 0 0 "[ . 1 . 2]" 1
1343 1 56 ASP HB3 1 59 ARG HG2 . . 4.130 2.364 2.010 2.854 . 0 0 "[ . 1 . 2]" 1
1344 1 56 ASP HB3 1 59 ARG HG3 . . 4.440 3.079 2.025 3.969 . 0 0 "[ . 1 . 2]" 1
1345 1 57 PRO HA 1 59 ARG H . . 4.510 3.911 3.586 4.459 . 0 0 "[ . 1 . 2]" 1
1346 1 57 PRO HB2 1 58 ALA HA . . 4.590 4.411 4.368 4.461 . 0 0 "[ . 1 . 2]" 1
1347 1 57 PRO HB2 1 58 ALA MB . . 4.630 4.387 4.252 4.494 . 0 0 "[ . 1 . 2]" 1
1348 1 57 PRO HD2 1 58 ALA H . . 3.540 3.019 2.911 3.059 . 0 0 "[ . 1 . 2]" 1
1349 1 57 PRO HD2 1 58 ALA MB . . 4.630 3.911 3.847 4.002 . 0 0 "[ . 1 . 2]" 1
1350 1 57 PRO HD3 1 58 ALA H . . 4.240 4.038 3.982 4.060 . 0 0 "[ . 1 . 2]" 1
1351 1 57 PRO QG 1 58 ALA H . . 3.500 3.259 3.107 3.311 . 0 0 "[ . 1 . 2]" 1
1352 1 57 PRO QG 1 58 ALA HA . . 4.620 4.543 4.470 4.620 . 0 0 "[ . 1 . 2]" 1
1353 1 57 PRO QG 1 58 ALA MB . . 3.730 3.440 3.319 3.605 . 0 0 "[ . 1 . 2]" 1
1354 1 57 PRO QG 1 59 ARG H . . 5.500 5.170 4.992 5.328 . 0 0 "[ . 1 . 2]" 1
1355 1 58 ALA H 1 58 ALA MB . . 2.830 2.371 2.294 2.473 . 0 0 "[ . 1 . 2]" 1
1356 1 58 ALA H 1 59 ARG H . . 3.040 2.238 1.961 2.727 . 0 0 "[ . 1 . 2]" 1
1357 1 58 ALA MB 1 59 ARG H . . 3.900 3.257 2.755 3.637 . 0 0 "[ . 1 . 2]" 1
1358 1 58 ALA MB 1 59 ARG HA . . 4.500 3.963 3.740 4.119 . 0 0 "[ . 1 . 2]" 1
1359 1 58 ALA MB 1 59 ARG QD . . 5.340 5.052 4.759 5.327 . 0 0 "[ . 1 . 2]" 1
1360 1 59 ARG H 1 59 ARG HB2 . . 3.090 2.237 2.182 2.345 . 0 0 "[ . 1 . 2]" 1
1361 1 59 ARG H 1 59 ARG HB3 . . 3.920 3.516 3.481 3.583 . 0 0 "[ . 1 . 2]" 1
1362 1 59 ARG H 1 59 ARG QD . . 4.970 4.231 3.895 4.441 . 0 0 "[ . 1 . 2]" 1
1363 1 59 ARG H 1 59 ARG HG2 . . 3.370 3.006 2.648 3.285 . 0 0 "[ . 1 . 2]" 1
1364 1 59 ARG H 1 59 ARG HG3 . . 4.190 3.895 3.571 4.133 . 0 0 "[ . 1 . 2]" 1
1365 1 59 ARG H 1 64 LEU MD1 . . 5.010 4.435 4.097 4.934 . 0 0 "[ . 1 . 2]" 1
1366 1 59 ARG H 1 64 LEU MD2 . . 5.410 5.188 5.041 5.376 . 0 0 "[ . 1 . 2]" 1
1367 1 59 ARG HA 1 59 ARG QD . . 3.560 2.221 2.042 2.671 . 0 0 "[ . 1 . 2]" 1
1368 1 59 ARG HA 1 59 ARG HG2 . . 3.790 2.561 2.370 2.689 . 0 0 "[ . 1 . 2]" 1
1369 1 59 ARG HA 1 59 ARG HG3 . . 4.250 3.636 3.605 3.675 . 0 0 "[ . 1 . 2]" 1
1370 1 59 ARG HA 1 60 THR H . . 2.750 2.159 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
1371 1 59 ARG HA 1 60 THR MG . . 4.480 4.225 4.048 4.422 . 0 0 "[ . 1 . 2]" 1
1372 1 59 ARG HB2 1 59 ARG HE . . 4.860 4.540 3.616 4.946 0.086 14 0 "[ . 1 . 2]" 1
1373 1 59 ARG HB2 1 60 THR H . . 4.740 4.532 4.440 4.591 . 0 0 "[ . 1 . 2]" 1
1374 1 59 ARG HB3 1 59 ARG HE . . 4.650 3.983 2.404 4.515 . 0 0 "[ . 1 . 2]" 1
1375 1 59 ARG HB3 1 60 THR H . . 4.050 3.737 3.476 3.930 . 0 0 "[ . 1 . 2]" 1
1376 1 59 ARG HB3 1 64 LEU MD1 . . 3.980 2.336 2.102 2.662 . 0 0 "[ . 1 . 2]" 1
1377 1 59 ARG HB3 1 64 LEU MD2 . . 3.650 2.349 2.143 2.498 . 0 0 "[ . 1 . 2]" 1
1378 1 59 ARG QD 1 60 THR H . . 4.120 3.429 3.042 3.782 . 0 0 "[ . 1 . 2]" 1
1379 1 59 ARG QD 1 64 LEU MD2 . . 4.160 2.721 2.084 3.667 . 0 0 "[ . 1 . 2]" 1
1380 1 59 ARG HD2 1 64 LEU MD2 . . 4.820 2.835 2.097 4.023 . 0 0 "[ . 1 . 2]" 1
1381 1 59 ARG HD3 1 64 LEU MD2 . . 4.820 3.908 3.080 4.348 . 0 0 "[ . 1 . 2]" 1
1382 1 59 ARG HG2 1 60 THR H . . 4.850 4.683 4.457 4.863 0.013 14 0 "[ . 1 . 2]" 1
1383 1 59 ARG HG2 1 64 LEU MD2 . . 4.160 4.157 4.123 4.175 0.015 3 0 "[ . 1 . 2]" 1
1384 1 59 ARG HG3 1 64 LEU MD1 . . 4.380 3.955 3.651 4.150 . 0 0 "[ . 1 . 2]" 1
1385 1 59 ARG HG3 1 64 LEU MD2 . . 4.150 2.861 2.725 3.062 . 0 0 "[ . 1 . 2]" 1
1386 1 60 THR H 1 60 THR MG . . 3.110 2.591 2.367 2.827 . 0 0 "[ . 1 . 2]" 1
1387 1 60 THR H 1 63 SER QB . . 4.320 3.474 3.120 3.786 . 0 0 "[ . 1 . 2]" 1
1388 1 60 THR MG 1 61 LEU H . . 4.010 3.624 3.376 3.786 . 0 0 "[ . 1 . 2]" 1
1389 1 60 THR MG 1 62 SER H . . 4.400 4.126 3.899 4.306 . 0 0 "[ . 1 . 2]" 1
1390 1 60 THR MG 1 63 SER H . . 4.720 4.305 4.238 4.401 . 0 0 "[ . 1 . 2]" 1
1391 1 60 THR MG 1 63 SER QB . . 4.710 4.201 3.915 4.566 . 0 0 "[ . 1 . 2]" 1
1392 1 61 LEU H 1 61 LEU HB2 . . 3.360 2.778 2.683 2.827 . 0 0 "[ . 1 . 2]" 1
1393 1 61 LEU H 1 61 LEU HB3 . . 3.860 3.557 3.544 3.575 . 0 0 "[ . 1 . 2]" 1
1394 1 61 LEU H 1 61 LEU MD1 . . 3.950 3.740 3.692 3.816 . 0 0 "[ . 1 . 2]" 1
1395 1 61 LEU H 1 61 LEU MD2 . . 3.800 1.903 1.865 2.006 . 0 0 "[ . 1 . 2]" 1
1396 1 61 LEU H 1 61 LEU HG . . 3.060 2.260 2.157 2.348 . 0 0 "[ . 1 . 2]" 1
1397 1 61 LEU H 1 62 SER H . . 3.370 2.667 2.602 2.715 . 0 0 "[ . 1 . 2]" 1
1398 1 61 LEU H 1 66 ILE MD . . 5.060 4.572 4.355 4.716 . 0 0 "[ . 1 . 2]" 1
1399 1 61 LEU HA 1 61 LEU MD1 . . 4.110 3.626 3.552 3.715 . 0 0 "[ . 1 . 2]" 1
1400 1 61 LEU HA 1 61 LEU MD2 . . 3.110 2.015 1.978 2.093 . 0 0 "[ . 1 . 2]" 1
1401 1 61 LEU HA 1 61 LEU HG . . 3.730 3.685 3.632 3.723 . 0 0 "[ . 1 . 2]" 1
1402 1 61 LEU HA 1 64 LEU H . . 4.290 3.374 3.224 3.460 . 0 0 "[ . 1 . 2]" 1
1403 1 61 LEU HA 1 64 LEU HB2 . . 3.960 2.622 2.415 2.761 . 0 0 "[ . 1 . 2]" 1
1404 1 61 LEU HA 1 64 LEU HB3 . . 4.640 4.270 4.067 4.413 . 0 0 "[ . 1 . 2]" 1
1405 1 61 LEU HA 1 64 LEU MD1 . . 3.350 2.457 2.206 2.965 . 0 0 "[ . 1 . 2]" 1
1406 1 61 LEU HA 1 64 LEU MD2 . . 4.900 4.782 4.679 4.871 . 0 0 "[ . 1 . 2]" 1
1407 1 61 LEU HA 1 66 ILE HB . . 3.900 2.922 2.805 3.117 . 0 0 "[ . 1 . 2]" 1
1408 1 61 LEU HA 1 66 ILE MD . . 3.620 2.309 2.004 2.513 . 0 0 "[ . 1 . 2]" 1
1409 1 61 LEU HA 1 66 ILE HG13 . . 4.770 3.889 3.598 4.002 . 0 0 "[ . 1 . 2]" 1
1410 1 61 LEU HA 1 66 ILE MG . . 4.390 3.977 3.886 4.124 . 0 0 "[ . 1 . 2]" 1
1411 1 61 LEU HB2 1 62 SER H . . 3.400 2.781 2.610 2.846 . 0 0 "[ . 1 . 2]" 1
1412 1 61 LEU HB2 1 66 ILE HB . . 3.750 3.346 3.239 3.511 . 0 0 "[ . 1 . 2]" 1
1413 1 61 LEU HB2 1 66 ILE MD . . 4.250 4.011 3.867 4.118 . 0 0 "[ . 1 . 2]" 1
1414 1 61 LEU HB2 1 66 ILE MG . . 4.430 3.465 3.292 3.684 . 0 0 "[ . 1 . 2]" 1
1415 1 61 LEU HB3 1 61 LEU MD1 . . 3.270 2.112 1.982 2.218 . 0 0 "[ . 1 . 2]" 1
1416 1 61 LEU HB3 1 61 LEU MD2 . . 3.200 2.626 2.566 2.658 . 0 0 "[ . 1 . 2]" 1
1417 1 61 LEU HB3 1 62 SER H . . 4.100 3.996 3.864 4.061 . 0 0 "[ . 1 . 2]" 1
1418 1 61 LEU HB3 1 66 ILE HB . . 3.450 2.131 1.987 2.272 . 0 0 "[ . 1 . 2]" 1
1419 1 61 LEU HB3 1 66 ILE MD . . 3.630 2.566 2.315 2.744 . 0 0 "[ . 1 . 2]" 1
1420 1 61 LEU HB3 1 66 ILE HG13 . . 4.330 4.230 4.078 4.334 0.004 3 0 "[ . 1 . 2]" 1
1421 1 61 LEU HB3 1 66 ILE MG . . 3.510 2.367 2.243 2.536 . 0 0 "[ . 1 . 2]" 1
1422 1 61 LEU MD1 1 62 SER H . . 5.080 4.850 4.739 4.897 . 0 0 "[ . 1 . 2]" 1
1423 1 61 LEU MD1 1 66 ILE HB . . 4.230 3.669 3.320 3.910 . 0 0 "[ . 1 . 2]" 1
1424 1 61 LEU MD1 1 66 ILE MD . . 4.230 2.831 2.452 3.060 . 0 0 "[ . 1 . 2]" 1
1425 1 61 LEU MD2 1 62 SER H . . 4.600 4.053 3.986 4.135 . 0 0 "[ . 1 . 2]" 1
1426 1 61 LEU MD2 1 64 LEU MD1 . . 3.800 2.641 2.441 2.988 . 0 0 "[ . 1 . 2]" 1
1427 1 61 LEU MD2 1 66 ILE HB . . 4.200 3.931 3.621 4.085 . 0 0 "[ . 1 . 2]" 1
1428 1 61 LEU MD2 1 66 ILE MD . . 3.370 2.560 2.211 2.739 . 0 0 "[ . 1 . 2]" 1
1429 1 61 LEU HG 1 62 SER H . . 4.630 4.024 3.873 4.167 . 0 0 "[ . 1 . 2]" 1
1430 1 61 LEU HG 1 66 ILE HB . . 5.500 5.043 4.908 5.202 . 0 0 "[ . 1 . 2]" 1
1431 1 61 LEU HG 1 66 ILE MD . . 4.700 4.518 4.325 4.642 . 0 0 "[ . 1 . 2]" 1
1432 1 62 SER H 1 62 SER HB2 . . 3.650 3.075 2.501 3.593 . 0 0 "[ . 1 . 2]" 1
1433 1 62 SER H 1 62 SER QB . . 3.090 2.358 2.161 2.692 . 0 0 "[ . 1 . 2]" 1
1434 1 62 SER H 1 62 SER HB3 . . 3.650 2.470 2.232 2.785 . 0 0 "[ . 1 . 2]" 1
1435 1 62 SER H 1 63 SER H . . 3.780 2.697 2.655 2.756 . 0 0 "[ . 1 . 2]" 1
1436 1 62 SER H 1 63 SER HA . . 5.380 5.302 5.270 5.348 . 0 0 "[ . 1 . 2]" 1
1437 1 62 SER H 1 66 ILE MG . . 5.500 5.420 5.323 5.499 . 0 0 "[ . 1 . 2]" 1
1438 1 62 SER HA 1 65 ASN H . . 4.100 3.811 3.702 3.890 . 0 0 "[ . 1 . 2]" 1
1439 1 62 SER HA 1 65 ASN HA . . 4.320 4.179 4.047 4.275 . 0 0 "[ . 1 . 2]" 1
1440 1 62 SER HA 1 66 ILE H . . 3.940 3.486 3.288 3.822 . 0 0 "[ . 1 . 2]" 1
1441 1 62 SER HA 1 67 THR MG . . 4.960 4.696 4.219 4.924 . 0 0 "[ . 1 . 2]" 1
1442 1 62 SER HB2 1 63 SER H . . 4.160 3.795 3.370 4.064 . 0 0 "[ . 1 . 2]" 1
1443 1 62 SER HB3 1 63 SER H . . 4.160 3.134 2.473 3.969 . 0 0 "[ . 1 . 2]" 1
1444 1 63 SER H 1 63 SER QB . . 3.280 2.279 2.169 2.531 . 0 0 "[ . 1 . 2]" 1
1445 1 63 SER H 1 64 LEU H . . 3.460 2.590 2.503 2.661 . 0 0 "[ . 1 . 2]" 1
1446 1 63 SER HA 1 65 ASN H . . 4.270 3.460 3.420 3.506 . 0 0 "[ . 1 . 2]" 1
1447 1 64 LEU H 1 64 LEU HB2 . . 3.120 2.423 2.383 2.464 . 0 0 "[ . 1 . 2]" 1
1448 1 64 LEU H 1 64 LEU HB3 . . 3.710 3.595 3.584 3.608 . 0 0 "[ . 1 . 2]" 1
1449 1 64 LEU H 1 64 LEU MD1 . . 3.990 3.519 3.400 3.707 . 0 0 "[ . 1 . 2]" 1
1450 1 64 LEU H 1 64 LEU MD2 . . 3.940 3.639 3.481 3.718 . 0 0 "[ . 1 . 2]" 1
1451 1 64 LEU H 1 65 ASN H . . 3.130 2.624 2.586 2.663 . 0 0 "[ . 1 . 2]" 1
1452 1 64 LEU H 1 66 ILE MD . . 4.920 4.252 3.908 4.444 . 0 0 "[ . 1 . 2]" 1
1453 1 64 LEU HA 1 64 LEU MD1 . . 4.150 3.902 3.864 3.925 . 0 0 "[ . 1 . 2]" 1
1454 1 64 LEU HA 1 64 LEU MD2 . . 2.860 2.121 1.994 2.234 . 0 0 "[ . 1 . 2]" 1
1455 1 64 LEU HA 1 66 ILE MD . . 5.070 4.839 4.600 4.949 . 0 0 "[ . 1 . 2]" 1
1456 1 64 LEU HB2 1 64 LEU MD2 . . 3.280 3.183 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
1457 1 64 LEU HB2 1 65 ASN H . . 4.380 3.628 3.577 3.646 . 0 0 "[ . 1 . 2]" 1
1458 1 64 LEU HB2 1 66 ILE H . . 5.080 3.254 3.058 3.435 . 0 0 "[ . 1 . 2]" 1
1459 1 64 LEU HB2 1 66 ILE MD . . 3.620 2.289 1.983 2.569 . 0 0 "[ . 1 . 2]" 1
1460 1 64 LEU HB2 1 66 ILE HG12 . . 4.670 4.171 3.975 4.323 . 0 0 "[ . 1 . 2]" 1
1461 1 64 LEU HB2 1 66 ILE HG13 . . 3.970 2.564 2.326 2.748 . 0 0 "[ . 1 . 2]" 1
1462 1 64 LEU HB3 1 65 ASN H . . 4.400 4.289 4.249 4.320 . 0 0 "[ . 1 . 2]" 1
1463 1 64 LEU HB3 1 66 ILE H . . 4.510 4.245 3.923 4.463 . 0 0 "[ . 1 . 2]" 1
1464 1 64 LEU HB3 1 66 ILE HB . . 5.020 4.684 4.397 4.815 . 0 0 "[ . 1 . 2]" 1
1465 1 64 LEU HB3 1 66 ILE MD . . 3.560 2.967 2.797 3.066 . 0 0 "[ . 1 . 2]" 1
1466 1 64 LEU HB3 1 66 ILE HG12 . . 4.600 4.304 4.079 4.392 . 0 0 "[ . 1 . 2]" 1
1467 1 64 LEU HB3 1 66 ILE HG13 . . 4.060 2.820 2.706 2.903 . 0 0 "[ . 1 . 2]" 1
1468 1 64 LEU MD1 1 66 ILE H . . 5.250 4.850 4.659 5.029 . 0 0 "[ . 1 . 2]" 1
1469 1 64 LEU MD1 1 66 ILE HB . . 5.250 4.270 4.063 4.438 . 0 0 "[ . 1 . 2]" 1
1470 1 64 LEU MD1 1 66 ILE MD . . 2.990 2.096 1.926 2.325 . 0 0 "[ . 1 . 2]" 1
1471 1 64 LEU MD1 1 66 ILE HG12 . . 5.080 4.443 4.164 4.598 . 0 0 "[ . 1 . 2]" 1
1472 1 64 LEU MD1 1 66 ILE HG13 . . 4.630 3.578 3.464 3.676 . 0 0 "[ . 1 . 2]" 1
1473 1 64 LEU MD2 1 65 ASN H . . 4.940 4.815 4.700 4.884 . 0 0 "[ . 1 . 2]" 1
1474 1 64 LEU MD2 1 66 ILE MD . . 4.310 3.932 3.817 4.020 . 0 0 "[ . 1 . 2]" 1
1475 1 65 ASN H 1 65 ASN HA . . 2.730 2.275 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
1476 1 65 ASN H 1 65 ASN HB2 . . 4.150 3.523 3.110 3.793 . 0 0 "[ . 1 . 2]" 1
1477 1 65 ASN H 1 65 ASN HB3 . . 4.150 4.060 3.823 4.107 . 0 0 "[ . 1 . 2]" 1
1478 1 65 ASN H 1 66 ILE H . . 3.340 2.621 2.560 2.696 . 0 0 "[ . 1 . 2]" 1
1479 1 65 ASN H 1 67 THR MG . . 5.500 5.319 5.141 5.494 . 0 0 "[ . 1 . 2]" 1
1480 1 65 ASN HA 1 66 ILE H . . 3.330 2.893 2.794 2.986 . 0 0 "[ . 1 . 2]" 1
1481 1 65 ASN HA 1 66 ILE HA . . 4.810 4.617 4.557 4.684 . 0 0 "[ . 1 . 2]" 1
1482 1 65 ASN QB 1 67 THR MG . . 4.490 3.993 3.812 4.367 . 0 0 "[ . 1 . 2]" 1
1483 1 66 ILE H 1 66 ILE HB . . 2.950 2.344 2.284 2.406 . 0 0 "[ . 1 . 2]" 1
1484 1 66 ILE H 1 66 ILE MD . . 4.050 3.735 3.424 3.871 . 0 0 "[ . 1 . 2]" 1
1485 1 66 ILE H 1 66 ILE HG12 . . 4.050 4.004 3.816 4.055 0.005 19 0 "[ . 1 . 2]" 1
1486 1 66 ILE H 1 66 ILE HG13 . . 3.380 2.783 2.594 2.887 . 0 0 "[ . 1 . 2]" 1
1487 1 66 ILE H 1 66 ILE MG . . 3.950 3.700 3.665 3.744 . 0 0 "[ . 1 . 2]" 1
1488 1 66 ILE HA 1 66 ILE MD . . 4.010 3.795 3.781 3.806 . 0 0 "[ . 1 . 2]" 1
1489 1 66 ILE HA 1 66 ILE HG12 . . 3.330 2.510 2.458 2.655 . 0 0 "[ . 1 . 2]" 1
1490 1 66 ILE HA 1 66 ILE HG13 . . 3.550 2.720 2.572 2.877 . 0 0 "[ . 1 . 2]" 1
1491 1 66 ILE HA 1 66 ILE MG . . 3.310 2.487 2.446 2.536 . 0 0 "[ . 1 . 2]" 1
1492 1 66 ILE HA 1 67 THR H . . 2.730 2.216 2.166 2.262 . 0 0 "[ . 1 . 2]" 1
1493 1 66 ILE HA 1 67 THR HA . . 4.630 4.432 4.408 4.455 . 0 0 "[ . 1 . 2]" 1
1494 1 66 ILE HA 1 67 THR MG . . 4.200 4.048 3.687 4.172 . 0 0 "[ . 1 . 2]" 1
1495 1 66 ILE HA 1 70 CYS HB2 . . 4.740 4.238 3.804 4.582 . 0 0 "[ . 1 . 2]" 1
1496 1 66 ILE HA 1 70 CYS QB . . 4.140 3.721 3.338 3.965 . 0 0 "[ . 1 . 2]" 1
1497 1 66 ILE HA 1 70 CYS HB3 . . 4.740 4.127 3.695 4.400 . 0 0 "[ . 1 . 2]" 1
1498 1 66 ILE HB 1 67 THR H . . 4.730 4.528 4.493 4.551 . 0 0 "[ . 1 . 2]" 1
1499 1 66 ILE MD 1 66 ILE MG . . 2.910 1.982 1.926 2.165 . 0 0 "[ . 1 . 2]" 1
1500 1 66 ILE MD 1 67 THR H . . 5.500 5.458 5.370 5.512 0.012 6 0 "[ . 1 . 2]" 1
1501 1 66 ILE MD 1 72 ILE MD . . 3.340 2.145 1.951 2.348 . 0 0 "[ . 1 . 2]" 1
1502 1 66 ILE MD 1 72 ILE MG . . 4.410 3.866 3.529 4.037 . 0 0 "[ . 1 . 2]" 1
1503 1 66 ILE HG12 1 66 ILE MG . . 3.280 2.325 2.235 2.380 . 0 0 "[ . 1 . 2]" 1
1504 1 66 ILE HG12 1 67 THR H . . 4.810 4.581 4.455 4.667 . 0 0 "[ . 1 . 2]" 1
1505 1 66 ILE HG12 1 72 ILE MD . . 4.330 3.036 2.697 3.367 . 0 0 "[ . 1 . 2]" 1
1506 1 66 ILE HG12 1 72 ILE HG12 . . 5.330 3.740 3.456 4.137 . 0 0 "[ . 1 . 2]" 1
1507 1 66 ILE HG13 1 66 ILE MG . . 3.540 3.185 3.166 3.192 . 0 0 "[ . 1 . 2]" 1
1508 1 66 ILE HG13 1 72 ILE MD . . 4.440 4.152 3.818 4.448 0.008 19 0 "[ . 1 . 2]" 1
1509 1 66 ILE MG 1 67 THR H . . 3.500 3.203 3.006 3.363 . 0 0 "[ . 1 . 2]" 1
1510 1 66 ILE MG 1 67 THR HA . . 4.140 3.756 3.657 3.827 . 0 0 "[ . 1 . 2]" 1
1511 1 66 ILE MG 1 70 CYS H . . 5.310 4.895 4.404 5.120 . 0 0 "[ . 1 . 2]" 1
1512 1 66 ILE MG 1 70 CYS HB2 . . 4.410 3.939 2.775 4.350 . 0 0 "[ . 1 . 2]" 1
1513 1 66 ILE MG 1 70 CYS QB . . 3.560 3.098 2.641 3.360 . 0 0 "[ . 1 . 2]" 1
1514 1 66 ILE MG 1 70 CYS HB3 . . 4.410 3.306 3.015 3.548 . 0 0 "[ . 1 . 2]" 1
1515 1 67 THR H 1 67 THR MG . . 3.450 2.627 2.373 2.845 . 0 0 "[ . 1 . 2]" 1
1516 1 67 THR H 1 70 CYS HB2 . . 4.030 3.407 3.237 3.659 . 0 0 "[ . 1 . 2]" 1
1517 1 67 THR H 1 70 CYS HB3 . . 4.030 3.915 3.699 4.047 0.017 12 0 "[ . 1 . 2]" 1
1518 1 67 THR HA 1 67 THR MG . . 3.100 2.325 2.227 2.461 . 0 0 "[ . 1 . 2]" 1
1519 1 67 THR HA 1 68 ASN H . . 3.100 2.595 2.373 2.658 . 0 0 "[ . 1 . 2]" 1
1520 1 67 THR HB 1 68 ASN H . . 3.010 2.022 1.911 2.465 . 0 0 "[ . 1 . 2]" 1
1521 1 67 THR HB 1 68 ASN QB . . 4.130 3.855 3.634 4.126 . 0 0 "[ . 1 . 2]" 1
1522 1 67 THR MG 1 68 ASN H . . 3.950 3.540 3.355 3.708 . 0 0 "[ . 1 . 2]" 1
1523 1 67 THR MG 1 68 ASN QB . . 5.380 4.955 4.711 5.254 . 0 0 "[ . 1 . 2]" 1
1524 1 67 THR MG 1 70 CYS QB . . 5.200 4.814 4.682 4.990 . 0 0 "[ . 1 . 2]" 1
1525 1 68 ASN H 1 68 ASN QB . . 2.890 2.236 2.129 2.387 . 0 0 "[ . 1 . 2]" 1
1526 1 68 ASN HA 1 68 ASN QD . . 4.480 3.730 2.496 4.212 . 0 0 "[ . 1 . 2]" 1
1527 1 68 ASN HA 1 69 ASN H . . 2.750 2.309 2.221 2.484 . 0 0 "[ . 1 . 2]" 1
1528 1 68 ASN HA 1 69 ASN HA . . 4.500 4.477 4.432 4.532 0.032 1 0 "[ . 1 . 2]" 1
1529 1 68 ASN HA 1 70 CYS H . . 4.260 3.436 3.232 3.737 . 0 0 "[ . 1 . 2]" 1
1530 1 68 ASN HA 1 70 CYS QB . . 4.370 4.093 3.945 4.210 . 0 0 "[ . 1 . 2]" 1
1531 1 68 ASN QB 1 68 ASN QD . . 3.070 2.150 2.064 2.407 . 0 0 "[ . 1 . 2]" 1
1532 1 68 ASN QB 1 69 ASN H . . 4.210 3.139 2.478 3.462 . 0 0 "[ . 1 . 2]" 1
1533 1 68 ASN QB 1 69 ASN HA . . 5.360 4.883 4.513 5.141 . 0 0 "[ . 1 . 2]" 1
1534 1 69 ASN H 1 70 CYS H . . 3.290 2.584 2.464 2.810 . 0 0 "[ . 1 . 2]" 1
1535 1 69 ASN QB 1 69 ASN QD . . 3.020 2.219 2.065 2.467 . 0 0 "[ . 1 . 2]" 1
1536 1 69 ASN HB2 1 70 CYS H . . 4.730 4.390 4.115 4.569 . 0 0 "[ . 1 . 2]" 1
1537 1 69 ASN HB3 1 70 CYS H . . 4.730 4.236 4.018 4.579 . 0 0 "[ . 1 . 2]" 1
1538 1 70 CYS H 1 70 CYS HB2 . . 3.400 2.898 2.233 3.367 . 0 0 "[ . 1 . 2]" 1
1539 1 70 CYS H 1 70 CYS HB3 . . 3.400 2.777 2.388 3.503 0.103 13 0 "[ . 1 . 2]" 1
1540 1 70 CYS QB 1 71 VAL H . . 3.580 3.325 2.962 3.528 . 0 0 "[ . 1 . 2]" 1
1541 1 70 CYS HB2 1 71 VAL H . . 4.260 3.968 3.702 4.263 0.003 11 0 "[ . 1 . 2]" 1
1542 1 70 CYS HB3 1 71 VAL H . . 4.260 3.687 3.027 4.173 . 0 0 "[ . 1 . 2]" 1
1543 1 71 VAL H 1 71 VAL HB . . 3.050 2.757 2.624 2.862 . 0 0 "[ . 1 . 2]" 1
1544 1 71 VAL H 1 71 VAL MG1 . . 3.680 2.328 2.199 2.425 . 0 0 "[ . 1 . 2]" 1
1545 1 71 VAL H 1 71 VAL MG2 . . 4.060 3.881 3.842 3.924 . 0 0 "[ . 1 . 2]" 1
1546 1 71 VAL H 1 72 ILE HG12 . . 5.500 5.260 5.125 5.446 . 0 0 "[ . 1 . 2]" 1
1547 1 71 VAL HB 1 72 ILE H . . 4.650 4.267 4.162 4.406 . 0 0 "[ . 1 . 2]" 1
1548 1 71 VAL MG1 1 72 ILE H . . 3.690 3.554 3.391 3.679 . 0 0 "[ . 1 . 2]" 1
1549 1 71 VAL MG1 1 72 ILE HA . . 4.230 3.630 3.510 3.745 . 0 0 "[ . 1 . 2]" 1
1550 1 71 VAL MG1 1 73 HIS H . . 4.420 4.058 3.819 4.229 . 0 0 "[ . 1 . 2]" 1
1551 1 71 VAL MG1 1 73 HIS HD2 . . 4.120 3.644 3.400 3.932 . 0 0 "[ . 1 . 2]" 1
1552 1 71 VAL MG1 1 73 HIS HE1 . . 4.310 4.041 3.858 4.279 . 0 0 "[ . 1 . 2]" 1
1553 1 71 VAL MG2 1 72 ILE H . . 3.950 2.288 2.066 2.635 . 0 0 "[ . 1 . 2]" 1
1554 1 71 VAL MG2 1 72 ILE HA . . 5.240 4.124 3.927 4.302 . 0 0 "[ . 1 . 2]" 1
1555 1 71 VAL MG2 1 73 HIS HD2 . . 5.350 5.084 4.841 5.342 . 0 0 "[ . 1 . 2]" 1
1556 1 71 VAL MG2 1 73 HIS HE1 . . 5.500 5.137 4.616 5.491 . 0 0 "[ . 1 . 2]" 1
1557 1 72 ILE H 1 72 ILE HB . . 3.400 2.594 2.531 2.659 . 0 0 "[ . 1 . 2]" 1
1558 1 72 ILE H 1 72 ILE MD . . 4.280 4.160 4.052 4.220 . 0 0 "[ . 1 . 2]" 1
1559 1 72 ILE H 1 72 ILE HG12 . . 4.400 3.813 3.708 3.930 . 0 0 "[ . 1 . 2]" 1
1560 1 72 ILE H 1 72 ILE HG13 . . 3.930 2.865 2.739 2.956 . 0 0 "[ . 1 . 2]" 1
1561 1 72 ILE H 1 72 ILE MG . . 4.180 3.825 3.800 3.853 . 0 0 "[ . 1 . 2]" 1
1562 1 72 ILE HA 1 72 ILE MD . . 4.050 3.748 3.692 3.782 . 0 0 "[ . 1 . 2]" 1
1563 1 72 ILE HA 1 72 ILE HG12 . . 3.430 2.417 2.369 2.461 . 0 0 "[ . 1 . 2]" 1
1564 1 72 ILE HA 1 72 ILE HG13 . . 3.560 3.131 3.062 3.199 . 0 0 "[ . 1 . 2]" 1
1565 1 72 ILE HA 1 72 ILE MG . . 3.160 2.414 2.367 2.449 . 0 0 "[ . 1 . 2]" 1
1566 1 72 ILE HA 1 73 HIS H . . 2.780 2.145 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
1567 1 72 ILE HA 1 73 HIS HB2 . . 4.870 4.683 4.567 4.762 . 0 0 "[ . 1 . 2]" 1
1568 1 72 ILE MD 1 72 ILE MG . . 2.630 1.965 1.900 2.063 . 0 0 "[ . 1 . 2]" 1
1569 1 72 ILE HG12 1 73 HIS H . . 4.800 4.339 4.292 4.395 . 0 0 "[ . 1 . 2]" 1
1570 1 72 ILE MG 1 73 HIS H . . 3.390 2.489 2.324 2.674 . 0 0 "[ . 1 . 2]" 1
1571 1 72 ILE MG 1 74 CYS H . . 5.500 4.587 4.399 4.743 . 0 0 "[ . 1 . 2]" 1
1572 1 72 ILE MG 1 74 CYS QB . . 5.340 4.618 4.065 4.931 . 0 0 "[ . 1 . 2]" 1
1573 1 73 HIS H 1 73 HIS HB2 . . 3.380 2.560 2.434 2.649 . 0 0 "[ . 1 . 2]" 1
1574 1 73 HIS H 1 73 HIS HB3 . . 3.750 3.610 3.595 3.632 . 0 0 "[ . 1 . 2]" 1
1575 1 73 HIS H 1 73 HIS HD2 . . 4.290 2.146 1.908 2.657 . 0 0 "[ . 1 . 2]" 1
1576 1 73 HIS H 1 74 CYS H . . 5.500 4.559 4.505 4.604 . 0 0 "[ . 1 . 2]" 1
1577 1 73 HIS HB2 1 74 CYS H . . 4.740 4.075 3.977 4.233 . 0 0 "[ . 1 . 2]" 1
1578 1 73 HIS HB2 1 75 HIS HD2 . . 4.660 4.101 3.709 4.582 . 0 0 "[ . 1 . 2]" 1
1579 1 73 HIS HB3 1 74 CYS H . . 4.220 3.183 3.023 3.330 . 0 0 "[ . 1 . 2]" 1
1580 1 73 HIS HB3 1 75 HIS HD2 . . 4.480 3.466 3.137 3.639 . 0 0 "[ . 1 . 2]" 1
1581 1 74 CYS H 1 74 CYS HB2 . . 4.090 2.584 2.396 2.780 . 0 0 "[ . 1 . 2]" 1
1582 1 74 CYS H 1 74 CYS QB . . 3.380 2.502 2.360 2.714 . 0 0 "[ . 1 . 2]" 1
1583 1 74 CYS H 1 74 CYS HB3 . . 4.090 3.509 2.890 3.789 . 0 0 "[ . 1 . 2]" 1
1584 1 74 CYS H 1 75 HIS H . . 5.200 4.442 4.354 4.547 . 0 0 "[ . 1 . 2]" 1
1585 1 74 CYS H 1 75 HIS HD2 . . 4.610 4.031 3.499 4.423 . 0 0 "[ . 1 . 2]" 1
1586 1 74 CYS HA 1 75 HIS H . . 2.840 2.199 2.141 2.295 . 0 0 "[ . 1 . 2]" 1
1587 1 74 CYS QB 1 75 HIS H . . 4.050 3.114 2.665 3.730 . 0 0 "[ . 1 . 2]" 1
1588 1 74 CYS HB2 1 75 HIS H . . 4.720 4.130 3.790 4.457 . 0 0 "[ . 1 . 2]" 1
1589 1 74 CYS HB3 1 75 HIS H . . 4.720 3.238 2.712 4.001 . 0 0 "[ . 1 . 2]" 1
1590 1 75 HIS H 1 75 HIS HB2 . . 3.920 2.409 2.279 2.587 . 0 0 "[ . 1 . 2]" 1
1591 1 75 HIS H 1 75 HIS QB . . 3.330 2.373 2.252 2.541 . 0 0 "[ . 1 . 2]" 1
1592 1 75 HIS H 1 75 HIS HB3 . . 3.920 3.587 3.520 3.708 . 0 0 "[ . 1 . 2]" 1
1593 1 75 HIS H 1 76 ARG H . . 5.500 4.387 4.274 4.488 . 0 0 "[ . 1 . 2]" 1
1594 1 75 HIS HA 1 75 HIS HD2 . . 4.120 2.949 2.661 3.364 . 0 0 "[ . 1 . 2]" 1
1595 1 75 HIS HB2 1 76 ARG H . . 4.450 4.365 4.139 4.447 . 0 0 "[ . 1 . 2]" 1
1596 1 75 HIS HB3 1 76 ARG H . . 4.450 3.333 2.913 3.492 . 0 0 "[ . 1 . 2]" 1
1597 1 76 ARG H 1 76 ARG HB2 . . 3.750 2.915 2.748 3.118 . 0 0 "[ . 1 . 2]" 1
1598 1 76 ARG H 1 76 ARG HB3 . . 3.750 2.586 2.461 2.715 . 0 0 "[ . 1 . 2]" 1
1599 1 76 ARG H 1 76 ARG QG . . 4.460 4.057 3.946 4.182 . 0 0 "[ . 1 . 2]" 1
1600 1 76 ARG HA 1 76 ARG QD . . 4.520 3.871 3.172 4.280 . 0 0 "[ . 1 . 2]" 1
1601 1 76 ARG HA 1 76 ARG QG . . 3.680 2.427 2.294 2.529 . 0 0 "[ . 1 . 2]" 1
1602 1 76 ARG HA 1 77 SER H . . 2.970 2.146 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
1603 1 76 ARG QB 1 76 ARG QD . . 3.370 2.209 2.035 2.393 . 0 0 "[ . 1 . 2]" 1
1604 1 76 ARG QB 1 77 SER H . . 4.460 3.808 3.727 3.886 . 0 0 "[ . 1 . 2]" 1
1605 1 76 ARG HB2 1 76 ARG QD . . 3.920 2.762 2.073 3.392 . 0 0 "[ . 1 . 2]" 1
1606 1 76 ARG HB3 1 76 ARG QD . . 3.920 2.479 2.193 2.992 . 0 0 "[ . 1 . 2]" 1
1607 1 76 ARG QG 1 77 SER H . . 4.040 2.890 2.575 3.140 . 0 0 "[ . 1 . 2]" 1
1608 1 76 ARG QG 1 77 SER QB . . 4.940 4.518 4.311 4.937 . 0 0 "[ . 1 . 2]" 1
1609 1 77 SER H 1 77 SER HB2 . . 3.970 2.667 2.183 3.091 . 0 0 "[ . 1 . 2]" 1
1610 1 77 SER H 1 77 SER QB . . 3.390 2.368 2.162 2.585 . 0 0 "[ . 1 . 2]" 1
1611 1 77 SER H 1 77 SER HB3 . . 3.970 2.904 2.333 3.677 . 0 0 "[ . 1 . 2]" 1
1612 1 78 PRO QB 1 79 PRO QD . . 3.180 2.624 2.357 3.006 . 0 0 "[ . 1 . 2]" 1
1613 1 79 PRO HA 1 80 GLY H . . 3.140 2.314 2.157 2.651 . 0 0 "[ . 1 . 2]" 1
1614 1 79 PRO HA 1 80 GLY QA . . 4.330 3.939 3.898 4.057 . 0 0 "[ . 1 . 2]" 1
1615 1 79 PRO HA 1 81 ALA H . . 5.500 4.408 3.526 5.381 . 0 0 "[ . 1 . 2]" 1
1616 1 79 PRO QB 1 80 GLY H . . 4.050 3.066 2.034 3.907 . 0 0 "[ . 1 . 2]" 1
1617 1 79 PRO QB 1 80 GLY QA . . 4.720 4.061 3.445 4.520 . 0 0 "[ . 1 . 2]" 1
1618 1 79 PRO QG 1 80 GLY H . . 4.930 4.437 3.740 4.757 . 0 0 "[ . 1 . 2]" 1
1619 1 79 PRO QG 1 81 ALA H . . 5.350 4.995 4.183 5.348 . 0 0 "[ . 1 . 2]" 1
1620 1 80 GLY QA 1 81 ALA H . . 3.350 2.587 2.237 2.812 . 0 0 "[ . 1 . 2]" 1
1621 1 81 ALA H 1 81 ALA MB . . 3.440 2.623 2.307 2.879 . 0 0 "[ . 1 . 2]" 1
1622 1 81 ALA H 1 82 ALA H . . 5.380 4.164 2.868 4.439 . 0 0 "[ . 1 . 2]" 1
1623 1 81 ALA HA 1 82 ALA H . . 3.230 2.355 2.142 2.838 . 0 0 "[ . 1 . 2]" 1
1624 1 82 ALA H 1 82 ALA MB . . 3.490 2.331 2.079 2.766 . 0 0 "[ . 1 . 2]" 1
1625 1 82 ALA HA 1 83 VAL H . . 3.210 2.363 2.142 2.841 . 0 0 "[ . 1 . 2]" 1
1626 1 82 ALA MB 1 83 VAL H . . 4.320 3.284 2.146 3.719 . 0 0 "[ . 1 . 2]" 1
1627 1 83 VAL H 1 83 VAL HB . . 4.010 3.281 2.492 3.977 . 0 0 "[ . 1 . 2]" 1
1628 1 83 VAL H 1 83 VAL MG1 . . 4.360 2.720 1.889 3.870 . 0 0 "[ . 1 . 2]" 1
1629 1 83 VAL H 1 83 VAL QG . . 3.740 2.092 1.808 2.735 . 0 0 "[ . 1 . 2]" 1
1630 1 83 VAL H 1 83 VAL MG2 . . 4.360 2.639 1.878 4.006 . 0 0 "[ . 1 . 2]" 1
1631 1 83 VAL HA 1 84 SER H . . 3.370 2.574 2.141 3.433 0.063 17 0 "[ . 1 . 2]" 1
1632 1 83 VAL HB 1 84 SER H . . 5.040 3.577 2.245 4.374 . 0 0 "[ . 1 . 2]" 1
1633 1 83 VAL QG 1 84 SER H . . 4.020 2.921 1.923 3.666 . 0 0 "[ . 1 . 2]" 1
1634 1 83 VAL MG1 1 84 SER H . . 4.580 3.793 2.484 4.356 . 0 0 "[ . 1 . 2]" 1
1635 1 83 VAL MG1 1 84 SER QB . . 5.500 4.924 3.465 5.459 . 0 0 "[ . 1 . 2]" 1
1636 1 83 VAL MG2 1 84 SER H . . 4.580 3.248 1.932 4.074 . 0 0 "[ . 1 . 2]" 1
1637 1 83 VAL MG2 1 84 SER QB . . 5.500 4.291 2.391 5.443 . 0 0 "[ . 1 . 2]" 1
1638 1 85 GLY HA2 1 86 PRO QD . . 3.240 2.214 1.879 3.196 . 0 0 "[ . 1 . 2]" 1
1639 1 85 GLY HA3 1 86 PRO QD . . 3.240 2.525 1.871 3.308 0.068 8 0 "[ . 1 . 2]" 1
1640 1 86 PRO QG 1 87 SER H . . 5.500 3.886 2.014 4.753 . 0 0 "[ . 1 . 2]" 1
1641 1 87 SER QB 1 88 ALA MB . . 4.800 4.331 3.232 4.792 . 0 0 "[ . 1 . 2]" 1
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